data_10107 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10107 _Entry.Title ; Solution structure of the CH domain from mouse EB-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10107 2 T. Kigawa . . . 10107 3 S. Koshiba . . . 10107 4 M. Inoue . . . 10107 5 S. Yokoyama . . . 10107 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10107 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10107 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 539 10107 '15N chemical shifts' 125 10107 '1H chemical shifts' 834 10107 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-15 2007-02-13 original author . 10107 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V5K 'BMRB Entry Tracking System' 10107 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10107 _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 CH domain from mouse EB-1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10107 1 2 T. Kigawa . . . 10107 1 3 S. Koshiba . . . 10107 1 4 M. Inoue . . . 10107 1 5 S. Yokoyama . . . 10107 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10107 _Assembly.ID 1 _Assembly.Name 'microtubule-associated protein, RP/EB family, member 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10107 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'microtubule-associated protein, RP/EB family, member 1' 1 $entity_1 . . yes native no no . . . 10107 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 1V5K . . . . . . 10107 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10107 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH 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 ; GSSGSSGQRRHDMLAWINES LQLNLTKIEQLCSGAAYCQF MDMLFPGSIALKKVKFQAKL EHEYIQNFKILQAGFKRMGV DKIIPVDKLVKGKFQDNFEF VQWFKKFFDSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state '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 1V5K . "Solution Structure Of The Ch Domain From Mouse Eb-1" . . . . . 100.00 115 100.00 100.00 2.11e-77 . . . . 10107 1 2 no DBJ BAG59745 . "unnamed protein product [Homo sapiens]" . . . . . 60.00 238 98.55 100.00 2.21e-39 . . . . 10107 1 3 no REF XP_003273569 . "PREDICTED: microtubule-associated protein RP/EB family member 1 isoform X3 [Nomascus leucogenys]" . . . . . 60.00 238 98.55 100.00 2.24e-39 . . . . 10107 1 4 no REF XP_004062039 . "PREDICTED: microtubule-associated protein RP/EB family member 1 [Gorilla gorilla gorilla]" . . . . . 60.87 221 98.57 100.00 3.38e-40 . . . . 10107 1 5 no REF XP_004325232 . "PREDICTED: microtubule-associated protein RP/EB family member 1-like isoform 2 [Tursiops truncatus]" . . . . . 60.00 238 98.55 100.00 2.19e-39 . . . . 10107 1 6 no REF XP_004612629 . "PREDICTED: microtubule-associated protein RP/EB family member 1 isoform X2 [Sorex araneus]" . . . . . 60.00 238 98.55 100.00 2.83e-39 . . . . 10107 1 7 no REF XP_004697982 . "PREDICTED: microtubule-associated protein RP/EB family member 1 isoform X2 [Echinops telfairi]" . . . . . 60.00 238 98.55 100.00 1.69e-39 . . . . 10107 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CH domain' . 10107 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 . 10107 1 2 . SER . 10107 1 3 . SER . 10107 1 4 . GLY . 10107 1 5 . SER . 10107 1 6 . SER . 10107 1 7 . GLY . 10107 1 8 . GLN . 10107 1 9 . ARG . 10107 1 10 . ARG . 10107 1 11 . HIS . 10107 1 12 . ASP . 10107 1 13 . MET . 10107 1 14 . LEU . 10107 1 15 . ALA . 10107 1 16 . TRP . 10107 1 17 . ILE . 10107 1 18 . ASN . 10107 1 19 . GLU . 10107 1 20 . SER . 10107 1 21 . LEU . 10107 1 22 . GLN . 10107 1 23 . LEU . 10107 1 24 . ASN . 10107 1 25 . LEU . 10107 1 26 . THR . 10107 1 27 . LYS . 10107 1 28 . ILE . 10107 1 29 . GLU . 10107 1 30 . GLN . 10107 1 31 . LEU . 10107 1 32 . CYS . 10107 1 33 . SER . 10107 1 34 . GLY . 10107 1 35 . ALA . 10107 1 36 . ALA . 10107 1 37 . TYR . 10107 1 38 . CYS . 10107 1 39 . GLN . 10107 1 40 . PHE . 10107 1 41 . MET . 10107 1 42 . ASP . 10107 1 43 . MET . 10107 1 44 . LEU . 10107 1 45 . PHE . 10107 1 46 . PRO . 10107 1 47 . GLY . 10107 1 48 . SER . 10107 1 49 . ILE . 10107 1 50 . ALA . 10107 1 51 . LEU . 10107 1 52 . LYS . 10107 1 53 . LYS . 10107 1 54 . VAL . 10107 1 55 . LYS . 10107 1 56 . PHE . 10107 1 57 . GLN . 10107 1 58 . ALA . 10107 1 59 . LYS . 10107 1 60 . LEU . 10107 1 61 . GLU . 10107 1 62 . HIS . 10107 1 63 . GLU . 10107 1 64 . TYR . 10107 1 65 . ILE . 10107 1 66 . GLN . 10107 1 67 . ASN . 10107 1 68 . PHE . 10107 1 69 . LYS . 10107 1 70 . ILE . 10107 1 71 . LEU . 10107 1 72 . GLN . 10107 1 73 . ALA . 10107 1 74 . GLY . 10107 1 75 . PHE . 10107 1 76 . LYS . 10107 1 77 . ARG . 10107 1 78 . MET . 10107 1 79 . GLY . 10107 1 80 . VAL . 10107 1 81 . ASP . 10107 1 82 . LYS . 10107 1 83 . ILE . 10107 1 84 . ILE . 10107 1 85 . PRO . 10107 1 86 . VAL . 10107 1 87 . ASP . 10107 1 88 . LYS . 10107 1 89 . LEU . 10107 1 90 . VAL . 10107 1 91 . LYS . 10107 1 92 . GLY . 10107 1 93 . LYS . 10107 1 94 . PHE . 10107 1 95 . GLN . 10107 1 96 . ASP . 10107 1 97 . ASN . 10107 1 98 . PHE . 10107 1 99 . GLU . 10107 1 100 . PHE . 10107 1 101 . VAL . 10107 1 102 . GLN . 10107 1 103 . TRP . 10107 1 104 . PHE . 10107 1 105 . LYS . 10107 1 106 . LYS . 10107 1 107 . PHE . 10107 1 108 . PHE . 10107 1 109 . ASP . 10107 1 110 . SER . 10107 1 111 . GLY . 10107 1 112 . PRO . 10107 1 113 . SER . 10107 1 114 . SER . 10107 1 115 . GLY . 10107 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 10107 1 . SER 2 2 10107 1 . SER 3 3 10107 1 . GLY 4 4 10107 1 . SER 5 5 10107 1 . SER 6 6 10107 1 . GLY 7 7 10107 1 . GLN 8 8 10107 1 . ARG 9 9 10107 1 . ARG 10 10 10107 1 . HIS 11 11 10107 1 . ASP 12 12 10107 1 . MET 13 13 10107 1 . LEU 14 14 10107 1 . ALA 15 15 10107 1 . TRP 16 16 10107 1 . ILE 17 17 10107 1 . ASN 18 18 10107 1 . GLU 19 19 10107 1 . SER 20 20 10107 1 . LEU 21 21 10107 1 . GLN 22 22 10107 1 . LEU 23 23 10107 1 . ASN 24 24 10107 1 . LEU 25 25 10107 1 . THR 26 26 10107 1 . LYS 27 27 10107 1 . ILE 28 28 10107 1 . GLU 29 29 10107 1 . GLN 30 30 10107 1 . LEU 31 31 10107 1 . CYS 32 32 10107 1 . SER 33 33 10107 1 . GLY 34 34 10107 1 . ALA 35 35 10107 1 . ALA 36 36 10107 1 . TYR 37 37 10107 1 . CYS 38 38 10107 1 . GLN 39 39 10107 1 . PHE 40 40 10107 1 . MET 41 41 10107 1 . ASP 42 42 10107 1 . MET 43 43 10107 1 . LEU 44 44 10107 1 . PHE 45 45 10107 1 . PRO 46 46 10107 1 . GLY 47 47 10107 1 . SER 48 48 10107 1 . ILE 49 49 10107 1 . ALA 50 50 10107 1 . LEU 51 51 10107 1 . LYS 52 52 10107 1 . LYS 53 53 10107 1 . VAL 54 54 10107 1 . LYS 55 55 10107 1 . PHE 56 56 10107 1 . GLN 57 57 10107 1 . ALA 58 58 10107 1 . LYS 59 59 10107 1 . LEU 60 60 10107 1 . GLU 61 61 10107 1 . HIS 62 62 10107 1 . GLU 63 63 10107 1 . TYR 64 64 10107 1 . ILE 65 65 10107 1 . GLN 66 66 10107 1 . ASN 67 67 10107 1 . PHE 68 68 10107 1 . LYS 69 69 10107 1 . ILE 70 70 10107 1 . LEU 71 71 10107 1 . GLN 72 72 10107 1 . ALA 73 73 10107 1 . GLY 74 74 10107 1 . PHE 75 75 10107 1 . LYS 76 76 10107 1 . ARG 77 77 10107 1 . MET 78 78 10107 1 . GLY 79 79 10107 1 . VAL 80 80 10107 1 . ASP 81 81 10107 1 . LYS 82 82 10107 1 . ILE 83 83 10107 1 . ILE 84 84 10107 1 . PRO 85 85 10107 1 . VAL 86 86 10107 1 . ASP 87 87 10107 1 . LYS 88 88 10107 1 . LEU 89 89 10107 1 . VAL 90 90 10107 1 . LYS 91 91 10107 1 . GLY 92 92 10107 1 . LYS 93 93 10107 1 . PHE 94 94 10107 1 . GLN 95 95 10107 1 . ASP 96 96 10107 1 . ASN 97 97 10107 1 . PHE 98 98 10107 1 . GLU 99 99 10107 1 . PHE 100 100 10107 1 . VAL 101 101 10107 1 . GLN 102 102 10107 1 . TRP 103 103 10107 1 . PHE 104 104 10107 1 . LYS 105 105 10107 1 . LYS 106 106 10107 1 . PHE 107 107 10107 1 . PHE 108 108 10107 1 . ASP 109 109 10107 1 . SER 110 110 10107 1 . GLY 111 111 10107 1 . PRO 112 112 10107 1 . SER 113 113 10107 1 . SER 114 114 10107 1 . GLY 115 115 10107 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 10107 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10107 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 10107 _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 . . P021216-20 . . . . . . 10107 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10107 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CH domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.03 . . mM . . . . 10107 1 2 'sodium phosphate' . . . . . . buffer 20 . . mM . . . . 10107 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10107 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10107 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10107 1 6 H2O . . . . . . solvent 90 . . % . . . . 10107 1 7 D2O . . . . . . solvent 10 . . % . . . . 10107 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 10107 _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 10107 1 pH 6.0 0.05 pH 10107 1 pressure 1 0.001 atm 10107 1 temperature 298 0.1 K 10107 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10107 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10107 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10107 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10107 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10107 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10107 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10107 _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.' . . 10107 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10107 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10107 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10107 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10107 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10107 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10107 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10107 5 'structure solution' 10107 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 10107 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10107 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10107 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10107 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10107 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10107 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 10107 _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 . . . . . . . . . 10107 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10107 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10107 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 10107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10107 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10107 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 2 2 SER HA H 1 4.489 0.030 . 1 . . . . 2 SER HA . 10107 1 2 . 1 1 2 2 SER HB2 H 1 3.840 0.030 . 1 . . . . 2 SER HB2 . 10107 1 3 . 1 1 2 2 SER HB3 H 1 3.840 0.030 . 1 . . . . 2 SER HB3 . 10107 1 4 . 1 1 2 2 SER C C 13 173.996 0.300 . 1 . . . . 2 SER C . 10107 1 5 . 1 1 2 2 SER CA C 13 57.895 0.300 . 1 . . . . 2 SER CA . 10107 1 6 . 1 1 2 2 SER CB C 13 63.477 0.300 . 1 . . . . 2 SER CB . 10107 1 7 . 1 1 3 3 SER H H 1 8.451 0.030 . 1 . . . . 3 SER H . 10107 1 8 . 1 1 3 3 SER HA H 1 4.507 0.030 . 1 . . . . 3 SER HA . 10107 1 9 . 1 1 3 3 SER HB2 H 1 3.913 0.030 . 1 . . . . 3 SER HB2 . 10107 1 10 . 1 1 3 3 SER HB3 H 1 3.913 0.030 . 1 . . . . 3 SER HB3 . 10107 1 11 . 1 1 3 3 SER C C 13 174.794 0.300 . 1 . . . . 3 SER C . 10107 1 12 . 1 1 3 3 SER CA C 13 58.329 0.300 . 1 . . . . 3 SER CA . 10107 1 13 . 1 1 3 3 SER CB C 13 63.947 0.300 . 1 . . . . 3 SER CB . 10107 1 14 . 1 1 3 3 SER N N 15 118.028 0.300 . 1 . . . . 3 SER N . 10107 1 15 . 1 1 4 4 GLY H H 1 8.519 0.030 . 1 . . . . 4 GLY H . 10107 1 16 . 1 1 4 4 GLY HA2 H 1 4.055 0.030 . 1 . . . . 4 GLY HA2 . 10107 1 17 . 1 1 4 4 GLY HA3 H 1 4.055 0.030 . 1 . . . . 4 GLY HA3 . 10107 1 18 . 1 1 4 4 GLY C C 13 174.041 0.300 . 1 . . . . 4 GLY C . 10107 1 19 . 1 1 4 4 GLY CA C 13 45.473 0.300 . 1 . . . . 4 GLY CA . 10107 1 20 . 1 1 4 4 GLY N N 15 110.916 0.300 . 1 . . . . 4 GLY N . 10107 1 21 . 1 1 5 5 SER H H 1 8.335 0.030 . 1 . . . . 5 SER H . 10107 1 22 . 1 1 5 5 SER HA H 1 4.518 0.030 . 1 . . . . 5 SER HA . 10107 1 23 . 1 1 5 5 SER HB2 H 1 3.899 0.030 . 1 . . . . 5 SER HB2 . 10107 1 24 . 1 1 5 5 SER HB3 H 1 3.899 0.030 . 1 . . . . 5 SER HB3 . 10107 1 25 . 1 1 5 5 SER C C 13 174.813 0.300 . 1 . . . . 5 SER C . 10107 1 26 . 1 1 5 5 SER CA C 13 58.318 0.300 . 1 . . . . 5 SER CA . 10107 1 27 . 1 1 5 5 SER CB C 13 63.904 0.300 . 1 . . . . 5 SER CB . 10107 1 28 . 1 1 5 5 SER N N 15 115.851 0.300 . 1 . . . . 5 SER N . 10107 1 29 . 1 1 6 6 SER H H 1 8.590 0.030 . 1 . . . . 6 SER H . 10107 1 30 . 1 1 6 6 SER HA H 1 4.458 0.030 . 1 . . . . 6 SER HA . 10107 1 31 . 1 1 6 6 SER HB2 H 1 4.007 0.030 . 2 . . . . 6 SER HB2 . 10107 1 32 . 1 1 6 6 SER HB3 H 1 3.962 0.030 . 2 . . . . 6 SER HB3 . 10107 1 33 . 1 1 6 6 SER C C 13 175.464 0.300 . 1 . . . . 6 SER C . 10107 1 34 . 1 1 6 6 SER CA C 13 59.478 0.300 . 1 . . . . 6 SER CA . 10107 1 35 . 1 1 6 6 SER CB C 13 63.610 0.300 . 1 . . . . 6 SER CB . 10107 1 36 . 1 1 6 6 SER N N 15 118.262 0.300 . 1 . . . . 6 SER N . 10107 1 37 . 1 1 7 7 GLY H H 1 8.577 0.030 . 1 . . . . 7 GLY H . 10107 1 38 . 1 1 7 7 GLY HA2 H 1 4.014 0.030 . 2 . . . . 7 GLY HA2 . 10107 1 39 . 1 1 7 7 GLY HA3 H 1 3.931 0.030 . 2 . . . . 7 GLY HA3 . 10107 1 40 . 1 1 7 7 GLY C C 13 174.885 0.300 . 1 . . . . 7 GLY C . 10107 1 41 . 1 1 7 7 GLY CA C 13 46.284 0.300 . 1 . . . . 7 GLY CA . 10107 1 42 . 1 1 7 7 GLY N N 15 110.946 0.300 . 1 . . . . 7 GLY N . 10107 1 43 . 1 1 8 8 GLN H H 1 8.253 0.030 . 1 . . . . 8 GLN H . 10107 1 44 . 1 1 8 8 GLN HA H 1 4.282 0.030 . 1 . . . . 8 GLN HA . 10107 1 45 . 1 1 8 8 GLN HB2 H 1 2.130 0.030 . 1 . . . . 8 GLN HB2 . 10107 1 46 . 1 1 8 8 GLN HB3 H 1 2.130 0.030 . 1 . . . . 8 GLN HB3 . 10107 1 47 . 1 1 8 8 GLN HG2 H 1 2.421 0.030 . 1 . . . . 8 GLN HG2 . 10107 1 48 . 1 1 8 8 GLN HG3 H 1 2.421 0.030 . 1 . . . . 8 GLN HG3 . 10107 1 49 . 1 1 8 8 GLN HE21 H 1 7.782 0.030 . 2 . . . . 8 GLN HE21 . 10107 1 50 . 1 1 8 8 GLN HE22 H 1 6.878 0.030 . 2 . . . . 8 GLN HE22 . 10107 1 51 . 1 1 8 8 GLN C C 13 176.659 0.300 . 1 . . . . 8 GLN C . 10107 1 52 . 1 1 8 8 GLN CA C 13 57.092 0.300 . 1 . . . . 8 GLN CA . 10107 1 53 . 1 1 8 8 GLN CB C 13 29.180 0.300 . 1 . . . . 8 GLN CB . 10107 1 54 . 1 1 8 8 GLN CG C 13 33.745 0.300 . 1 . . . . 8 GLN CG . 10107 1 55 . 1 1 8 8 GLN N N 15 121.246 0.300 . 1 . . . . 8 GLN N . 10107 1 56 . 1 1 8 8 GLN NE2 N 15 113.689 0.300 . 1 . . . . 8 GLN NE2 . 10107 1 57 . 1 1 9 9 ARG H H 1 8.440 0.030 . 1 . . . . 9 ARG H . 10107 1 58 . 1 1 9 9 ARG HA H 1 4.400 0.030 . 1 . . . . 9 ARG HA . 10107 1 59 . 1 1 9 9 ARG HB2 H 1 2.046 0.030 . 1 . . . . 9 ARG HB2 . 10107 1 60 . 1 1 9 9 ARG HB3 H 1 2.046 0.030 . 1 . . . . 9 ARG HB3 . 10107 1 61 . 1 1 9 9 ARG HG2 H 1 1.851 0.030 . 2 . . . . 9 ARG HG2 . 10107 1 62 . 1 1 9 9 ARG HG3 H 1 1.785 0.030 . 2 . . . . 9 ARG HG3 . 10107 1 63 . 1 1 9 9 ARG HD2 H 1 3.300 0.030 . 1 . . . . 9 ARG HD2 . 10107 1 64 . 1 1 9 9 ARG HD3 H 1 3.300 0.030 . 1 . . . . 9 ARG HD3 . 10107 1 65 . 1 1 9 9 ARG C C 13 178.166 0.300 . 1 . . . . 9 ARG C . 10107 1 66 . 1 1 9 9 ARG CA C 13 58.044 0.300 . 1 . . . . 9 ARG CA . 10107 1 67 . 1 1 9 9 ARG CB C 13 30.447 0.300 . 1 . . . . 9 ARG CB . 10107 1 68 . 1 1 9 9 ARG CG C 13 27.475 0.300 . 1 . . . . 9 ARG CG . 10107 1 69 . 1 1 9 9 ARG CD C 13 43.394 0.300 . 1 . . . . 9 ARG CD . 10107 1 70 . 1 1 9 9 ARG N N 15 120.296 0.300 . 1 . . . . 9 ARG N . 10107 1 71 . 1 1 10 10 ARG H H 1 8.509 0.030 . 1 . . . . 10 ARG H . 10107 1 72 . 1 1 10 10 ARG HA H 1 4.180 0.030 . 1 . . . . 10 ARG HA . 10107 1 73 . 1 1 10 10 ARG HB2 H 1 1.925 0.030 . 1 . . . . 10 ARG HB2 . 10107 1 74 . 1 1 10 10 ARG HB3 H 1 1.925 0.030 . 1 . . . . 10 ARG HB3 . 10107 1 75 . 1 1 10 10 ARG HG2 H 1 1.652 0.030 . 2 . . . . 10 ARG HG2 . 10107 1 76 . 1 1 10 10 ARG HG3 H 1 1.577 0.030 . 2 . . . . 10 ARG HG3 . 10107 1 77 . 1 1 10 10 ARG HD2 H 1 3.201 0.030 . 2 . . . . 10 ARG HD2 . 10107 1 78 . 1 1 10 10 ARG HD3 H 1 3.133 0.030 . 2 . . . . 10 ARG HD3 . 10107 1 79 . 1 1 10 10 ARG C C 13 176.767 0.300 . 1 . . . . 10 ARG C . 10107 1 80 . 1 1 10 10 ARG CA C 13 59.294 0.300 . 1 . . . . 10 ARG CA . 10107 1 81 . 1 1 10 10 ARG CB C 13 30.111 0.300 . 1 . . . . 10 ARG CB . 10107 1 82 . 1 1 10 10 ARG CG C 13 26.987 0.300 . 1 . . . . 10 ARG CG . 10107 1 83 . 1 1 10 10 ARG CD C 13 43.645 0.300 . 1 . . . . 10 ARG CD . 10107 1 84 . 1 1 10 10 ARG N N 15 119.963 0.300 . 1 . . . . 10 ARG N . 10107 1 85 . 1 1 11 11 HIS H H 1 8.173 0.030 . 1 . . . . 11 HIS H . 10107 1 86 . 1 1 11 11 HIS HA H 1 4.412 0.030 . 1 . . . . 11 HIS HA . 10107 1 87 . 1 1 11 11 HIS HB2 H 1 3.347 0.030 . 1 . . . . 11 HIS HB2 . 10107 1 88 . 1 1 11 11 HIS HB3 H 1 3.347 0.030 . 1 . . . . 11 HIS HB3 . 10107 1 89 . 1 1 11 11 HIS HD2 H 1 7.279 0.030 . 1 . . . . 11 HIS HD2 . 10107 1 90 . 1 1 11 11 HIS HE1 H 1 8.262 0.030 . 1 . . . . 11 HIS HE1 . 10107 1 91 . 1 1 11 11 HIS C C 13 177.111 0.300 . 1 . . . . 11 HIS C . 10107 1 92 . 1 1 11 11 HIS CA C 13 58.881 0.300 . 1 . . . . 11 HIS CA . 10107 1 93 . 1 1 11 11 HIS CB C 13 29.405 0.300 . 1 . . . . 11 HIS CB . 10107 1 94 . 1 1 11 11 HIS CD2 C 13 120.378 0.300 . 1 . . . . 11 HIS CD2 . 10107 1 95 . 1 1 11 11 HIS CE1 C 13 137.660 0.300 . 1 . . . . 11 HIS CE1 . 10107 1 96 . 1 1 11 11 HIS N N 15 118.414 0.300 . 1 . . . . 11 HIS N . 10107 1 97 . 1 1 12 12 ASP H H 1 8.538 0.030 . 1 . . . . 12 ASP H . 10107 1 98 . 1 1 12 12 ASP HA H 1 4.573 0.030 . 1 . . . . 12 ASP HA . 10107 1 99 . 1 1 12 12 ASP HB2 H 1 2.888 0.030 . 2 . . . . 12 ASP HB2 . 10107 1 100 . 1 1 12 12 ASP HB3 H 1 2.828 0.030 . 2 . . . . 12 ASP HB3 . 10107 1 101 . 1 1 12 12 ASP C C 13 178.517 0.300 . 1 . . . . 12 ASP C . 10107 1 102 . 1 1 12 12 ASP CA C 13 56.600 0.300 . 1 . . . . 12 ASP CA . 10107 1 103 . 1 1 12 12 ASP CB C 13 40.553 0.300 . 1 . . . . 12 ASP CB . 10107 1 104 . 1 1 12 12 ASP N N 15 120.837 0.300 . 1 . . . . 12 ASP N . 10107 1 105 . 1 1 13 13 MET H H 1 8.420 0.030 . 1 . . . . 13 MET H . 10107 1 106 . 1 1 13 13 MET HA H 1 4.699 0.030 . 1 . . . . 13 MET HA . 10107 1 107 . 1 1 13 13 MET HB2 H 1 2.735 0.030 . 2 . . . . 13 MET HB2 . 10107 1 108 . 1 1 13 13 MET HB3 H 1 2.835 0.030 . 2 . . . . 13 MET HB3 . 10107 1 109 . 1 1 13 13 MET HG2 H 1 2.491 0.030 . 2 . . . . 13 MET HG2 . 10107 1 110 . 1 1 13 13 MET HG3 H 1 2.112 0.030 . 2 . . . . 13 MET HG3 . 10107 1 111 . 1 1 13 13 MET HE1 H 1 1.981 0.030 . 1 . . . . 13 MET HE . 10107 1 112 . 1 1 13 13 MET HE2 H 1 1.981 0.030 . 1 . . . . 13 MET HE . 10107 1 113 . 1 1 13 13 MET HE3 H 1 1.981 0.030 . 1 . . . . 13 MET HE . 10107 1 114 . 1 1 13 13 MET C C 13 177.503 0.300 . 1 . . . . 13 MET C . 10107 1 115 . 1 1 13 13 MET CA C 13 57.547 0.300 . 1 . . . . 13 MET CA . 10107 1 116 . 1 1 13 13 MET CB C 13 33.069 0.300 . 1 . . . . 13 MET CB . 10107 1 117 . 1 1 13 13 MET CG C 13 32.737 0.300 . 1 . . . . 13 MET CG . 10107 1 118 . 1 1 13 13 MET CE C 13 18.908 0.300 . 1 . . . . 13 MET CE . 10107 1 119 . 1 1 13 13 MET N N 15 120.247 0.300 . 1 . . . . 13 MET N . 10107 1 120 . 1 1 14 14 LEU H H 1 7.912 0.030 . 1 . . . . 14 LEU H . 10107 1 121 . 1 1 14 14 LEU HA H 1 4.029 0.030 . 1 . . . . 14 LEU HA . 10107 1 122 . 1 1 14 14 LEU HB2 H 1 1.763 0.030 . 2 . . . . 14 LEU HB2 . 10107 1 123 . 1 1 14 14 LEU HB3 H 1 1.457 0.030 . 2 . . . . 14 LEU HB3 . 10107 1 124 . 1 1 14 14 LEU HG H 1 1.660 0.030 . 1 . . . . 14 LEU HG . 10107 1 125 . 1 1 14 14 LEU HD11 H 1 0.701 0.030 . 1 . . . . 14 LEU HD1 . 10107 1 126 . 1 1 14 14 LEU HD12 H 1 0.701 0.030 . 1 . . . . 14 LEU HD1 . 10107 1 127 . 1 1 14 14 LEU HD13 H 1 0.701 0.030 . 1 . . . . 14 LEU HD1 . 10107 1 128 . 1 1 14 14 LEU HD21 H 1 0.624 0.030 . 1 . . . . 14 LEU HD2 . 10107 1 129 . 1 1 14 14 LEU HD22 H 1 0.624 0.030 . 1 . . . . 14 LEU HD2 . 10107 1 130 . 1 1 14 14 LEU HD23 H 1 0.624 0.030 . 1 . . . . 14 LEU HD2 . 10107 1 131 . 1 1 14 14 LEU C C 13 177.455 0.300 . 1 . . . . 14 LEU C . 10107 1 132 . 1 1 14 14 LEU CA C 13 57.630 0.300 . 1 . . . . 14 LEU CA . 10107 1 133 . 1 1 14 14 LEU CB C 13 41.777 0.300 . 1 . . . . 14 LEU CB . 10107 1 134 . 1 1 14 14 LEU CG C 13 26.500 0.300 . 1 . . . . 14 LEU CG . 10107 1 135 . 1 1 14 14 LEU CD1 C 13 25.297 0.300 . 2 . . . . 14 LEU CD1 . 10107 1 136 . 1 1 14 14 LEU CD2 C 13 23.523 0.300 . 2 . . . . 14 LEU CD2 . 10107 1 137 . 1 1 14 14 LEU N N 15 118.553 0.300 . 1 . . . . 14 LEU N . 10107 1 138 . 1 1 15 15 ALA H H 1 8.270 0.030 . 1 . . . . 15 ALA H . 10107 1 139 . 1 1 15 15 ALA HA H 1 4.165 0.030 . 1 . . . . 15 ALA HA . 10107 1 140 . 1 1 15 15 ALA HB1 H 1 1.489 0.030 . 1 . . . . 15 ALA HB . 10107 1 141 . 1 1 15 15 ALA HB2 H 1 1.489 0.030 . 1 . . . . 15 ALA HB . 10107 1 142 . 1 1 15 15 ALA HB3 H 1 1.489 0.030 . 1 . . . . 15 ALA HB . 10107 1 143 . 1 1 15 15 ALA C C 13 179.361 0.300 . 1 . . . . 15 ALA C . 10107 1 144 . 1 1 15 15 ALA CA C 13 55.328 0.300 . 1 . . . . 15 ALA CA . 10107 1 145 . 1 1 15 15 ALA CB C 13 17.943 0.300 . 1 . . . . 15 ALA CB . 10107 1 146 . 1 1 15 15 ALA N N 15 120.133 0.300 . 1 . . . . 15 ALA N . 10107 1 147 . 1 1 16 16 TRP H H 1 7.771 0.030 . 1 . . . . 16 TRP H . 10107 1 148 . 1 1 16 16 TRP HA H 1 4.544 0.030 . 1 . . . . 16 TRP HA . 10107 1 149 . 1 1 16 16 TRP HB2 H 1 3.423 0.030 . 2 . . . . 16 TRP HB2 . 10107 1 150 . 1 1 16 16 TRP HB3 H 1 3.666 0.030 . 2 . . . . 16 TRP HB3 . 10107 1 151 . 1 1 16 16 TRP HD1 H 1 7.406 0.030 . 1 . . . . 16 TRP HD1 . 10107 1 152 . 1 1 16 16 TRP HE1 H 1 10.016 0.030 . 1 . . . . 16 TRP HE1 . 10107 1 153 . 1 1 16 16 TRP HE3 H 1 7.685 0.030 . 1 . . . . 16 TRP HE3 . 10107 1 154 . 1 1 16 16 TRP HZ2 H 1 6.678 0.030 . 1 . . . . 16 TRP HZ2 . 10107 1 155 . 1 1 16 16 TRP HZ3 H 1 6.791 0.030 . 1 . . . . 16 TRP HZ3 . 10107 1 156 . 1 1 16 16 TRP HH2 H 1 6.493 0.030 . 1 . . . . 16 TRP HH2 . 10107 1 157 . 1 1 16 16 TRP C C 13 178.649 0.300 . 1 . . . . 16 TRP C . 10107 1 158 . 1 1 16 16 TRP CA C 13 61.034 0.300 . 1 . . . . 16 TRP CA . 10107 1 159 . 1 1 16 16 TRP CB C 13 27.320 0.300 . 1 . . . . 16 TRP CB . 10107 1 160 . 1 1 16 16 TRP CD1 C 13 127.169 0.300 . 1 . . . . 16 TRP CD1 . 10107 1 161 . 1 1 16 16 TRP CE3 C 13 120.648 0.300 . 1 . . . . 16 TRP CE3 . 10107 1 162 . 1 1 16 16 TRP CZ2 C 13 115.013 0.300 . 1 . . . . 16 TRP CZ2 . 10107 1 163 . 1 1 16 16 TRP CZ3 C 13 120.834 0.300 . 1 . . . . 16 TRP CZ3 . 10107 1 164 . 1 1 16 16 TRP CH2 C 13 123.388 0.300 . 1 . . . . 16 TRP CH2 . 10107 1 165 . 1 1 16 16 TRP N N 15 118.411 0.300 . 1 . . . . 16 TRP N . 10107 1 166 . 1 1 16 16 TRP NE1 N 15 130.814 0.300 . 1 . . . . 16 TRP NE1 . 10107 1 167 . 1 1 17 17 ILE H H 1 7.922 0.030 . 1 . . . . 17 ILE H . 10107 1 168 . 1 1 17 17 ILE HA H 1 3.044 0.030 . 1 . . . . 17 ILE HA . 10107 1 169 . 1 1 17 17 ILE HB H 1 1.879 0.030 . 1 . . . . 17 ILE HB . 10107 1 170 . 1 1 17 17 ILE HG12 H 1 1.204 0.030 . 2 . . . . 17 ILE HG12 . 10107 1 171 . 1 1 17 17 ILE HG13 H 1 1.555 0.030 . 2 . . . . 17 ILE HG13 . 10107 1 172 . 1 1 17 17 ILE HG21 H 1 0.727 0.030 . 1 . . . . 17 ILE HG2 . 10107 1 173 . 1 1 17 17 ILE HG22 H 1 0.727 0.030 . 1 . . . . 17 ILE HG2 . 10107 1 174 . 1 1 17 17 ILE HG23 H 1 0.727 0.030 . 1 . . . . 17 ILE HG2 . 10107 1 175 . 1 1 17 17 ILE HD11 H 1 0.660 0.030 . 1 . . . . 17 ILE HD1 . 10107 1 176 . 1 1 17 17 ILE HD12 H 1 0.660 0.030 . 1 . . . . 17 ILE HD1 . 10107 1 177 . 1 1 17 17 ILE HD13 H 1 0.660 0.030 . 1 . . . . 17 ILE HD1 . 10107 1 178 . 1 1 17 17 ILE C C 13 176.389 0.300 . 1 . . . . 17 ILE C . 10107 1 179 . 1 1 17 17 ILE CA C 13 63.896 0.300 . 1 . . . . 17 ILE CA . 10107 1 180 . 1 1 17 17 ILE CB C 13 37.499 0.300 . 1 . . . . 17 ILE CB . 10107 1 181 . 1 1 17 17 ILE CG1 C 13 28.319 0.300 . 1 . . . . 17 ILE CG1 . 10107 1 182 . 1 1 17 17 ILE CG2 C 13 17.370 0.300 . 1 . . . . 17 ILE CG2 . 10107 1 183 . 1 1 17 17 ILE CD1 C 13 12.594 0.300 . 1 . . . . 17 ILE CD1 . 10107 1 184 . 1 1 17 17 ILE N N 15 122.560 0.300 . 1 . . . . 17 ILE N . 10107 1 185 . 1 1 18 18 ASN H H 1 8.635 0.030 . 1 . . . . 18 ASN H . 10107 1 186 . 1 1 18 18 ASN HA H 1 4.202 0.030 . 1 . . . . 18 ASN HA . 10107 1 187 . 1 1 18 18 ASN HB2 H 1 2.812 0.030 . 1 . . . . 18 ASN HB2 . 10107 1 188 . 1 1 18 18 ASN HB3 H 1 2.812 0.030 . 1 . . . . 18 ASN HB3 . 10107 1 189 . 1 1 18 18 ASN HD21 H 1 7.056 0.030 . 2 . . . . 18 ASN HD21 . 10107 1 190 . 1 1 18 18 ASN HD22 H 1 7.471 0.030 . 2 . . . . 18 ASN HD22 . 10107 1 191 . 1 1 18 18 ASN C C 13 179.168 0.300 . 1 . . . . 18 ASN C . 10107 1 192 . 1 1 18 18 ASN CA C 13 55.941 0.300 . 1 . . . . 18 ASN CA . 10107 1 193 . 1 1 18 18 ASN CB C 13 37.456 0.300 . 1 . . . . 18 ASN CB . 10107 1 194 . 1 1 18 18 ASN N N 15 118.574 0.300 . 1 . . . . 18 ASN N . 10107 1 195 . 1 1 18 18 ASN ND2 N 15 106.165 0.300 . 1 . . . . 18 ASN ND2 . 10107 1 196 . 1 1 19 19 GLU H H 1 8.584 0.030 . 1 . . . . 19 GLU H . 10107 1 197 . 1 1 19 19 GLU HA H 1 4.130 0.030 . 1 . . . . 19 GLU HA . 10107 1 198 . 1 1 19 19 GLU HB2 H 1 2.188 0.030 . 2 . . . . 19 GLU HB2 . 10107 1 199 . 1 1 19 19 GLU HB3 H 1 2.069 0.030 . 2 . . . . 19 GLU HB3 . 10107 1 200 . 1 1 19 19 GLU HG2 H 1 2.359 0.030 . 2 . . . . 19 GLU HG2 . 10107 1 201 . 1 1 19 19 GLU HG3 H 1 2.432 0.030 . 2 . . . . 19 GLU HG3 . 10107 1 202 . 1 1 19 19 GLU C C 13 178.746 0.300 . 1 . . . . 19 GLU C . 10107 1 203 . 1 1 19 19 GLU CA C 13 58.505 0.300 . 1 . . . . 19 GLU CA . 10107 1 204 . 1 1 19 19 GLU CB C 13 29.532 0.300 . 1 . . . . 19 GLU CB . 10107 1 205 . 1 1 19 19 GLU CG C 13 36.362 0.300 . 1 . . . . 19 GLU CG . 10107 1 206 . 1 1 19 19 GLU N N 15 118.610 0.300 . 1 . . . . 19 GLU N . 10107 1 207 . 1 1 20 20 SER H H 1 7.706 0.030 . 1 . . . . 20 SER H . 10107 1 208 . 1 1 20 20 SER HA H 1 4.131 0.030 . 1 . . . . 20 SER HA . 10107 1 209 . 1 1 20 20 SER HB2 H 1 3.493 0.030 . 2 . . . . 20 SER HB2 . 10107 1 210 . 1 1 20 20 SER HB3 H 1 3.357 0.030 . 2 . . . . 20 SER HB3 . 10107 1 211 . 1 1 20 20 SER C C 13 174.999 0.300 . 1 . . . . 20 SER C . 10107 1 212 . 1 1 20 20 SER CA C 13 62.154 0.300 . 1 . . . . 20 SER CA . 10107 1 213 . 1 1 20 20 SER CB C 13 63.569 0.300 . 1 . . . . 20 SER CB . 10107 1 214 . 1 1 20 20 SER N N 15 113.797 0.300 . 1 . . . . 20 SER N . 10107 1 215 . 1 1 21 21 LEU H H 1 7.459 0.030 . 1 . . . . 21 LEU H . 10107 1 216 . 1 1 21 21 LEU HA H 1 4.256 0.030 . 1 . . . . 21 LEU HA . 10107 1 217 . 1 1 21 21 LEU HB2 H 1 1.398 0.030 . 2 . . . . 21 LEU HB2 . 10107 1 218 . 1 1 21 21 LEU HB3 H 1 1.325 0.030 . 2 . . . . 21 LEU HB3 . 10107 1 219 . 1 1 21 21 LEU HG H 1 0.962 0.030 . 1 . . . . 21 LEU HG . 10107 1 220 . 1 1 21 21 LEU HD11 H 1 0.426 0.030 . 1 . . . . 21 LEU HD1 . 10107 1 221 . 1 1 21 21 LEU HD12 H 1 0.426 0.030 . 1 . . . . 21 LEU HD1 . 10107 1 222 . 1 1 21 21 LEU HD13 H 1 0.426 0.030 . 1 . . . . 21 LEU HD1 . 10107 1 223 . 1 1 21 21 LEU HD21 H 1 0.244 0.030 . 1 . . . . 21 LEU HD2 . 10107 1 224 . 1 1 21 21 LEU HD22 H 1 0.244 0.030 . 1 . . . . 21 LEU HD2 . 10107 1 225 . 1 1 21 21 LEU HD23 H 1 0.244 0.030 . 1 . . . . 21 LEU HD2 . 10107 1 226 . 1 1 21 21 LEU C C 13 175.041 0.300 . 1 . . . . 21 LEU C . 10107 1 227 . 1 1 21 21 LEU CA C 13 53.695 0.300 . 1 . . . . 21 LEU CA . 10107 1 228 . 1 1 21 21 LEU CB C 13 42.599 0.300 . 1 . . . . 21 LEU CB . 10107 1 229 . 1 1 21 21 LEU CG C 13 26.322 0.300 . 1 . . . . 21 LEU CG . 10107 1 230 . 1 1 21 21 LEU CD1 C 13 26.888 0.300 . 2 . . . . 21 LEU CD1 . 10107 1 231 . 1 1 21 21 LEU CD2 C 13 21.866 0.300 . 2 . . . . 21 LEU CD2 . 10107 1 232 . 1 1 21 21 LEU N N 15 115.746 0.300 . 1 . . . . 21 LEU N . 10107 1 233 . 1 1 22 22 GLN H H 1 7.571 0.030 . 1 . . . . 22 GLN H . 10107 1 234 . 1 1 22 22 GLN HA H 1 4.011 0.030 . 1 . . . . 22 GLN HA . 10107 1 235 . 1 1 22 22 GLN HB2 H 1 2.238 0.030 . 2 . . . . 22 GLN HB2 . 10107 1 236 . 1 1 22 22 GLN HB3 H 1 2.106 0.030 . 2 . . . . 22 GLN HB3 . 10107 1 237 . 1 1 22 22 GLN HG2 H 1 2.224 0.030 . 1 . . . . 22 GLN HG2 . 10107 1 238 . 1 1 22 22 GLN HG3 H 1 2.224 0.030 . 1 . . . . 22 GLN HG3 . 10107 1 239 . 1 1 22 22 GLN HE21 H 1 7.448 0.030 . 2 . . . . 22 GLN HE21 . 10107 1 240 . 1 1 22 22 GLN HE22 H 1 6.698 0.030 . 2 . . . . 22 GLN HE22 . 10107 1 241 . 1 1 22 22 GLN C C 13 175.030 0.300 . 1 . . . . 22 GLN C . 10107 1 242 . 1 1 22 22 GLN CA C 13 56.847 0.300 . 1 . . . . 22 GLN CA . 10107 1 243 . 1 1 22 22 GLN CB C 13 25.611 0.300 . 1 . . . . 22 GLN CB . 10107 1 244 . 1 1 22 22 GLN CG C 13 34.433 0.300 . 1 . . . . 22 GLN CG . 10107 1 245 . 1 1 22 22 GLN N N 15 116.713 0.300 . 1 . . . . 22 GLN N . 10107 1 246 . 1 1 22 22 GLN NE2 N 15 113.053 0.300 . 1 . . . . 22 GLN NE2 . 10107 1 247 . 1 1 23 23 LEU H H 1 7.694 0.030 . 1 . . . . 23 LEU H . 10107 1 248 . 1 1 23 23 LEU HA H 1 4.598 0.030 . 1 . . . . 23 LEU HA . 10107 1 249 . 1 1 23 23 LEU HB2 H 1 1.786 0.030 . 2 . . . . 23 LEU HB2 . 10107 1 250 . 1 1 23 23 LEU HB3 H 1 1.493 0.030 . 2 . . . . 23 LEU HB3 . 10107 1 251 . 1 1 23 23 LEU HG H 1 1.386 0.030 . 1 . . . . 23 LEU HG . 10107 1 252 . 1 1 23 23 LEU HD11 H 1 0.803 0.030 . 1 . . . . 23 LEU HD1 . 10107 1 253 . 1 1 23 23 LEU HD12 H 1 0.803 0.030 . 1 . . . . 23 LEU HD1 . 10107 1 254 . 1 1 23 23 LEU HD13 H 1 0.803 0.030 . 1 . . . . 23 LEU HD1 . 10107 1 255 . 1 1 23 23 LEU HD21 H 1 0.676 0.030 . 1 . . . . 23 LEU HD2 . 10107 1 256 . 1 1 23 23 LEU HD22 H 1 0.676 0.030 . 1 . . . . 23 LEU HD2 . 10107 1 257 . 1 1 23 23 LEU HD23 H 1 0.676 0.030 . 1 . . . . 23 LEU HD2 . 10107 1 258 . 1 1 23 23 LEU C C 13 175.066 0.300 . 1 . . . . 23 LEU C . 10107 1 259 . 1 1 23 23 LEU CA C 13 52.874 0.300 . 1 . . . . 23 LEU CA . 10107 1 260 . 1 1 23 23 LEU CB C 13 45.577 0.300 . 1 . . . . 23 LEU CB . 10107 1 261 . 1 1 23 23 LEU CG C 13 26.196 0.300 . 1 . . . . 23 LEU CG . 10107 1 262 . 1 1 23 23 LEU CD1 C 13 22.456 0.300 . 2 . . . . 23 LEU CD1 . 10107 1 263 . 1 1 23 23 LEU CD2 C 13 25.896 0.300 . 2 . . . . 23 LEU CD2 . 10107 1 264 . 1 1 23 23 LEU N N 15 117.858 0.300 . 1 . . . . 23 LEU N . 10107 1 265 . 1 1 24 24 ASN H H 1 8.092 0.030 . 1 . . . . 24 ASN H . 10107 1 266 . 1 1 24 24 ASN HA H 1 4.747 0.030 . 1 . . . . 24 ASN HA . 10107 1 267 . 1 1 24 24 ASN HB2 H 1 2.731 0.030 . 2 . . . . 24 ASN HB2 . 10107 1 268 . 1 1 24 24 ASN HB3 H 1 2.434 0.030 . 2 . . . . 24 ASN HB3 . 10107 1 269 . 1 1 24 24 ASN HD21 H 1 7.442 0.030 . 2 . . . . 24 ASN HD21 . 10107 1 270 . 1 1 24 24 ASN HD22 H 1 6.700 0.030 . 2 . . . . 24 ASN HD22 . 10107 1 271 . 1 1 24 24 ASN C C 13 175.005 0.300 . 1 . . . . 24 ASN C . 10107 1 272 . 1 1 24 24 ASN CA C 13 51.949 0.300 . 1 . . . . 24 ASN CA . 10107 1 273 . 1 1 24 24 ASN CB C 13 39.051 0.300 . 1 . . . . 24 ASN CB . 10107 1 274 . 1 1 24 24 ASN N N 15 118.553 0.300 . 1 . . . . 24 ASN N . 10107 1 275 . 1 1 24 24 ASN ND2 N 15 112.004 0.300 . 1 . . . . 24 ASN ND2 . 10107 1 276 . 1 1 25 25 LEU H H 1 9.190 0.030 . 1 . . . . 25 LEU H . 10107 1 277 . 1 1 25 25 LEU HA H 1 4.276 0.030 . 1 . . . . 25 LEU HA . 10107 1 278 . 1 1 25 25 LEU HB2 H 1 1.789 0.030 . 2 . . . . 25 LEU HB2 . 10107 1 279 . 1 1 25 25 LEU HB3 H 1 1.480 0.030 . 2 . . . . 25 LEU HB3 . 10107 1 280 . 1 1 25 25 LEU HG H 1 1.804 0.030 . 1 . . . . 25 LEU HG . 10107 1 281 . 1 1 25 25 LEU HD11 H 1 0.736 0.030 . 1 . . . . 25 LEU HD1 . 10107 1 282 . 1 1 25 25 LEU HD12 H 1 0.736 0.030 . 1 . . . . 25 LEU HD1 . 10107 1 283 . 1 1 25 25 LEU HD13 H 1 0.736 0.030 . 1 . . . . 25 LEU HD1 . 10107 1 284 . 1 1 25 25 LEU HD21 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 10107 1 285 . 1 1 25 25 LEU HD22 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 10107 1 286 . 1 1 25 25 LEU HD23 H 1 0.803 0.030 . 1 . . . . 25 LEU HD2 . 10107 1 287 . 1 1 25 25 LEU C C 13 178.577 0.300 . 1 . . . . 25 LEU C . 10107 1 288 . 1 1 25 25 LEU CA C 13 56.745 0.300 . 1 . . . . 25 LEU CA . 10107 1 289 . 1 1 25 25 LEU CB C 13 41.766 0.300 . 1 . . . . 25 LEU CB . 10107 1 290 . 1 1 25 25 LEU CG C 13 27.498 0.300 . 1 . . . . 25 LEU CG . 10107 1 291 . 1 1 25 25 LEU CD1 C 13 26.102 0.300 . 2 . . . . 25 LEU CD1 . 10107 1 292 . 1 1 25 25 LEU CD2 C 13 22.467 0.300 . 2 . . . . 25 LEU CD2 . 10107 1 293 . 1 1 25 25 LEU N N 15 121.519 0.300 . 1 . . . . 25 LEU N . 10107 1 294 . 1 1 26 26 THR H H 1 9.346 0.030 . 1 . . . . 26 THR H . 10107 1 295 . 1 1 26 26 THR HA H 1 4.449 0.030 . 1 . . . . 26 THR HA . 10107 1 296 . 1 1 26 26 THR HB H 1 4.381 0.030 . 1 . . . . 26 THR HB . 10107 1 297 . 1 1 26 26 THR HG21 H 1 1.223 0.030 . 1 . . . . 26 THR HG2 . 10107 1 298 . 1 1 26 26 THR HG22 H 1 1.223 0.030 . 1 . . . . 26 THR HG2 . 10107 1 299 . 1 1 26 26 THR HG23 H 1 1.223 0.030 . 1 . . . . 26 THR HG2 . 10107 1 300 . 1 1 26 26 THR C C 13 174.511 0.300 . 1 . . . . 26 THR C . 10107 1 301 . 1 1 26 26 THR CA C 13 61.589 0.300 . 1 . . . . 26 THR CA . 10107 1 302 . 1 1 26 26 THR CB C 13 70.677 0.300 . 1 . . . . 26 THR CB . 10107 1 303 . 1 1 26 26 THR CG2 C 13 22.174 0.300 . 1 . . . . 26 THR CG2 . 10107 1 304 . 1 1 26 26 THR N N 15 110.682 0.300 . 1 . . . . 26 THR N . 10107 1 305 . 1 1 27 27 LYS H H 1 8.053 0.030 . 1 . . . . 27 LYS H . 10107 1 306 . 1 1 27 27 LYS HA H 1 4.903 0.030 . 1 . . . . 27 LYS HA . 10107 1 307 . 1 1 27 27 LYS HB2 H 1 1.689 0.030 . 2 . . . . 27 LYS HB2 . 10107 1 308 . 1 1 27 27 LYS HB3 H 1 2.359 0.030 . 2 . . . . 27 LYS HB3 . 10107 1 309 . 1 1 27 27 LYS HG2 H 1 1.475 0.030 . 1 . . . . 27 LYS HG2 . 10107 1 310 . 1 1 27 27 LYS HG3 H 1 1.475 0.030 . 1 . . . . 27 LYS HG3 . 10107 1 311 . 1 1 27 27 LYS HD2 H 1 1.708 0.030 . 1 . . . . 27 LYS HD2 . 10107 1 312 . 1 1 27 27 LYS HD3 H 1 1.708 0.030 . 1 . . . . 27 LYS HD3 . 10107 1 313 . 1 1 27 27 LYS HE2 H 1 2.969 0.030 . 1 . . . . 27 LYS HE2 . 10107 1 314 . 1 1 27 27 LYS HE3 H 1 2.969 0.030 . 1 . . . . 27 LYS HE3 . 10107 1 315 . 1 1 27 27 LYS C C 13 176.055 0.300 . 1 . . . . 27 LYS C . 10107 1 316 . 1 1 27 27 LYS CA C 13 55.336 0.300 . 1 . . . . 27 LYS CA . 10107 1 317 . 1 1 27 27 LYS CB C 13 35.940 0.300 . 1 . . . . 27 LYS CB . 10107 1 318 . 1 1 27 27 LYS CG C 13 24.812 0.300 . 1 . . . . 27 LYS CG . 10107 1 319 . 1 1 27 27 LYS CD C 13 29.433 0.300 . 1 . . . . 27 LYS CD . 10107 1 320 . 1 1 27 27 LYS CE C 13 42.131 0.300 . 1 . . . . 27 LYS CE . 10107 1 321 . 1 1 27 27 LYS N N 15 121.502 0.300 . 1 . . . . 27 LYS N . 10107 1 322 . 1 1 28 28 ILE H H 1 9.441 0.030 . 1 . . . . 28 ILE H . 10107 1 323 . 1 1 28 28 ILE HA H 1 3.785 0.030 . 1 . . . . 28 ILE HA . 10107 1 324 . 1 1 28 28 ILE HB H 1 2.297 0.030 . 1 . . . . 28 ILE HB . 10107 1 325 . 1 1 28 28 ILE HG12 H 1 1.831 0.030 . 2 . . . . 28 ILE HG12 . 10107 1 326 . 1 1 28 28 ILE HG13 H 1 1.698 0.030 . 2 . . . . 28 ILE HG13 . 10107 1 327 . 1 1 28 28 ILE HG21 H 1 0.741 0.030 . 1 . . . . 28 ILE HG2 . 10107 1 328 . 1 1 28 28 ILE HG22 H 1 0.741 0.030 . 1 . . . . 28 ILE HG2 . 10107 1 329 . 1 1 28 28 ILE HG23 H 1 0.741 0.030 . 1 . . . . 28 ILE HG2 . 10107 1 330 . 1 1 28 28 ILE HD11 H 1 1.031 0.030 . 1 . . . . 28 ILE HD1 . 10107 1 331 . 1 1 28 28 ILE HD12 H 1 1.031 0.030 . 1 . . . . 28 ILE HD1 . 10107 1 332 . 1 1 28 28 ILE HD13 H 1 1.031 0.030 . 1 . . . . 28 ILE HD1 . 10107 1 333 . 1 1 28 28 ILE C C 13 177.330 0.300 . 1 . . . . 28 ILE C . 10107 1 334 . 1 1 28 28 ILE CA C 13 61.752 0.300 . 1 . . . . 28 ILE CA . 10107 1 335 . 1 1 28 28 ILE CB C 13 36.248 0.300 . 1 . . . . 28 ILE CB . 10107 1 336 . 1 1 28 28 ILE CG1 C 13 28.608 0.300 . 1 . . . . 28 ILE CG1 . 10107 1 337 . 1 1 28 28 ILE CG2 C 13 17.419 0.300 . 1 . . . . 28 ILE CG2 . 10107 1 338 . 1 1 28 28 ILE CD1 C 13 10.325 0.300 . 1 . . . . 28 ILE CD1 . 10107 1 339 . 1 1 28 28 ILE N N 15 126.464 0.300 . 1 . . . . 28 ILE N . 10107 1 340 . 1 1 29 29 GLU H H 1 11.301 0.030 . 1 . . . . 29 GLU H . 10107 1 341 . 1 1 29 29 GLU HA H 1 3.555 0.030 . 1 . . . . 29 GLU HA . 10107 1 342 . 1 1 29 29 GLU HB2 H 1 1.871 0.030 . 2 . . . . 29 GLU HB2 . 10107 1 343 . 1 1 29 29 GLU HB3 H 1 2.088 0.030 . 2 . . . . 29 GLU HB3 . 10107 1 344 . 1 1 29 29 GLU HG2 H 1 2.827 0.030 . 2 . . . . 29 GLU HG2 . 10107 1 345 . 1 1 29 29 GLU HG3 H 1 2.090 0.030 . 2 . . . . 29 GLU HG3 . 10107 1 346 . 1 1 29 29 GLU C C 13 178.746 0.300 . 1 . . . . 29 GLU C . 10107 1 347 . 1 1 29 29 GLU CA C 13 61.764 0.300 . 1 . . . . 29 GLU CA . 10107 1 348 . 1 1 29 29 GLU CB C 13 29.176 0.300 . 1 . . . . 29 GLU CB . 10107 1 349 . 1 1 29 29 GLU CG C 13 38.677 0.300 . 1 . . . . 29 GLU CG . 10107 1 350 . 1 1 29 29 GLU N N 15 119.149 0.300 . 1 . . . . 29 GLU N . 10107 1 351 . 1 1 30 30 GLN H H 1 7.713 0.030 . 1 . . . . 30 GLN H . 10107 1 352 . 1 1 30 30 GLN HA H 1 4.137 0.030 . 1 . . . . 30 GLN HA . 10107 1 353 . 1 1 30 30 GLN HB2 H 1 2.178 0.030 . 2 . . . . 30 GLN HB2 . 10107 1 354 . 1 1 30 30 GLN HB3 H 1 2.610 0.030 . 2 . . . . 30 GLN HB3 . 10107 1 355 . 1 1 30 30 GLN HG2 H 1 2.603 0.030 . 2 . . . . 30 GLN HG2 . 10107 1 356 . 1 1 30 30 GLN HG3 H 1 2.375 0.030 . 2 . . . . 30 GLN HG3 . 10107 1 357 . 1 1 30 30 GLN HE21 H 1 7.680 0.030 . 2 . . . . 30 GLN HE21 . 10107 1 358 . 1 1 30 30 GLN HE22 H 1 6.968 0.030 . 2 . . . . 30 GLN HE22 . 10107 1 359 . 1 1 30 30 GLN C C 13 177.744 0.300 . 1 . . . . 30 GLN C . 10107 1 360 . 1 1 30 30 GLN CA C 13 58.354 0.300 . 1 . . . . 30 GLN CA . 10107 1 361 . 1 1 30 30 GLN CB C 13 29.433 0.300 . 1 . . . . 30 GLN CB . 10107 1 362 . 1 1 30 30 GLN CG C 13 35.925 0.300 . 1 . . . . 30 GLN CG . 10107 1 363 . 1 1 30 30 GLN N N 15 116.065 0.300 . 1 . . . . 30 GLN N . 10107 1 364 . 1 1 30 30 GLN NE2 N 15 111.053 0.300 . 1 . . . . 30 GLN NE2 . 10107 1 365 . 1 1 31 31 LEU H H 1 8.155 0.030 . 1 . . . . 31 LEU H . 10107 1 366 . 1 1 31 31 LEU HA H 1 4.129 0.030 . 1 . . . . 31 LEU HA . 10107 1 367 . 1 1 31 31 LEU HB2 H 1 2.109 0.030 . 2 . . . . 31 LEU HB2 . 10107 1 368 . 1 1 31 31 LEU HB3 H 1 1.665 0.030 . 2 . . . . 31 LEU HB3 . 10107 1 369 . 1 1 31 31 LEU HG H 1 1.611 0.030 . 1 . . . . 31 LEU HG . 10107 1 370 . 1 1 31 31 LEU HD11 H 1 1.112 0.030 . 1 . . . . 31 LEU HD1 . 10107 1 371 . 1 1 31 31 LEU HD12 H 1 1.112 0.030 . 1 . . . . 31 LEU HD1 . 10107 1 372 . 1 1 31 31 LEU HD13 H 1 1.112 0.030 . 1 . . . . 31 LEU HD1 . 10107 1 373 . 1 1 31 31 LEU HD21 H 1 0.478 0.030 . 1 . . . . 31 LEU HD2 . 10107 1 374 . 1 1 31 31 LEU HD22 H 1 0.478 0.030 . 1 . . . . 31 LEU HD2 . 10107 1 375 . 1 1 31 31 LEU HD23 H 1 0.478 0.030 . 1 . . . . 31 LEU HD2 . 10107 1 376 . 1 1 31 31 LEU C C 13 176.960 0.300 . 1 . . . . 31 LEU C . 10107 1 377 . 1 1 31 31 LEU CA C 13 56.132 0.300 . 1 . . . . 31 LEU CA . 10107 1 378 . 1 1 31 31 LEU CB C 13 41.061 0.300 . 1 . . . . 31 LEU CB . 10107 1 379 . 1 1 31 31 LEU CG C 13 27.312 0.300 . 1 . . . . 31 LEU CG . 10107 1 380 . 1 1 31 31 LEU CD1 C 13 25.459 0.300 . 2 . . . . 31 LEU CD1 . 10107 1 381 . 1 1 31 31 LEU CD2 C 13 23.013 0.300 . 2 . . . . 31 LEU CD2 . 10107 1 382 . 1 1 31 31 LEU N N 15 119.960 0.300 . 1 . . . . 31 LEU N . 10107 1 383 . 1 1 32 32 CYS H H 1 7.553 0.030 . 1 . . . . 32 CYS H . 10107 1 384 . 1 1 32 32 CYS HA H 1 4.402 0.030 . 1 . . . . 32 CYS HA . 10107 1 385 . 1 1 32 32 CYS HB2 H 1 3.643 0.030 . 2 . . . . 32 CYS HB2 . 10107 1 386 . 1 1 32 32 CYS HB3 H 1 2.744 0.030 . 2 . . . . 32 CYS HB3 . 10107 1 387 . 1 1 32 32 CYS C C 13 171.820 0.300 . 1 . . . . 32 CYS C . 10107 1 388 . 1 1 32 32 CYS CA C 13 59.358 0.300 . 1 . . . . 32 CYS CA . 10107 1 389 . 1 1 32 32 CYS CB C 13 28.636 0.300 . 1 . . . . 32 CYS CB . 10107 1 390 . 1 1 32 32 CYS N N 15 116.321 0.300 . 1 . . . . 32 CYS N . 10107 1 391 . 1 1 33 33 SER H H 1 6.548 0.030 . 1 . . . . 33 SER H . 10107 1 392 . 1 1 33 33 SER HA H 1 3.730 0.030 . 1 . . . . 33 SER HA . 10107 1 393 . 1 1 33 33 SER HB2 H 1 3.900 0.030 . 2 . . . . 33 SER HB2 . 10107 1 394 . 1 1 33 33 SER HB3 H 1 3.432 0.030 . 2 . . . . 33 SER HB3 . 10107 1 395 . 1 1 33 33 SER C C 13 176.116 0.300 . 1 . . . . 33 SER C . 10107 1 396 . 1 1 33 33 SER CA C 13 56.359 0.300 . 1 . . . . 33 SER CA . 10107 1 397 . 1 1 33 33 SER CB C 13 65.670 0.300 . 1 . . . . 33 SER CB . 10107 1 398 . 1 1 33 33 SER N N 15 111.835 0.300 . 1 . . . . 33 SER N . 10107 1 399 . 1 1 34 34 GLY H H 1 7.510 0.030 . 1 . . . . 34 GLY H . 10107 1 400 . 1 1 34 34 GLY HA2 H 1 2.878 0.030 . 1 . . . . 34 GLY HA2 . 10107 1 401 . 1 1 34 34 GLY HA3 H 1 2.878 0.030 . 1 . . . . 34 GLY HA3 . 10107 1 402 . 1 1 34 34 GLY C C 13 172.954 0.300 . 1 . . . . 34 GLY C . 10107 1 403 . 1 1 34 34 GLY CA C 13 46.468 0.300 . 1 . . . . 34 GLY CA . 10107 1 404 . 1 1 34 34 GLY N N 15 108.908 0.300 . 1 . . . . 34 GLY N . 10107 1 405 . 1 1 35 35 ALA H H 1 6.909 0.030 . 1 . . . . 35 ALA H . 10107 1 406 . 1 1 35 35 ALA HA H 1 3.407 0.030 . 1 . . . . 35 ALA HA . 10107 1 407 . 1 1 35 35 ALA HB1 H 1 1.164 0.030 . 1 . . . . 35 ALA HB . 10107 1 408 . 1 1 35 35 ALA HB2 H 1 1.164 0.030 . 1 . . . . 35 ALA HB . 10107 1 409 . 1 1 35 35 ALA HB3 H 1 1.164 0.030 . 1 . . . . 35 ALA HB . 10107 1 410 . 1 1 35 35 ALA C C 13 177.998 0.300 . 1 . . . . 35 ALA C . 10107 1 411 . 1 1 35 35 ALA CA C 13 55.861 0.300 . 1 . . . . 35 ALA CA . 10107 1 412 . 1 1 35 35 ALA CB C 13 19.129 0.300 . 1 . . . . 35 ALA CB . 10107 1 413 . 1 1 35 35 ALA N N 15 122.465 0.300 . 1 . . . . 35 ALA N . 10107 1 414 . 1 1 36 36 ALA H H 1 7.884 0.030 . 1 . . . . 36 ALA H . 10107 1 415 . 1 1 36 36 ALA HA H 1 3.944 0.030 . 1 . . . . 36 ALA HA . 10107 1 416 . 1 1 36 36 ALA HB1 H 1 0.884 0.030 . 1 . . . . 36 ALA HB . 10107 1 417 . 1 1 36 36 ALA HB2 H 1 0.884 0.030 . 1 . . . . 36 ALA HB . 10107 1 418 . 1 1 36 36 ALA HB3 H 1 0.884 0.030 . 1 . . . . 36 ALA HB . 10107 1 419 . 1 1 36 36 ALA C C 13 179.385 0.300 . 1 . . . . 36 ALA C . 10107 1 420 . 1 1 36 36 ALA CA C 13 54.860 0.300 . 1 . . . . 36 ALA CA . 10107 1 421 . 1 1 36 36 ALA CB C 13 16.348 0.300 . 1 . . . . 36 ALA CB . 10107 1 422 . 1 1 36 36 ALA N N 15 119.546 0.300 . 1 . . . . 36 ALA N . 10107 1 423 . 1 1 37 37 TYR H H 1 7.374 0.030 . 1 . . . . 37 TYR H . 10107 1 424 . 1 1 37 37 TYR HA H 1 4.095 0.030 . 1 . . . . 37 TYR HA . 10107 1 425 . 1 1 37 37 TYR HB2 H 1 2.618 0.030 . 2 . . . . 37 TYR HB2 . 10107 1 426 . 1 1 37 37 TYR HB3 H 1 3.099 0.030 . 2 . . . . 37 TYR HB3 . 10107 1 427 . 1 1 37 37 TYR HD1 H 1 6.305 0.030 . 1 . . . . 37 TYR HD1 . 10107 1 428 . 1 1 37 37 TYR HD2 H 1 6.305 0.030 . 1 . . . . 37 TYR HD2 . 10107 1 429 . 1 1 37 37 TYR HE1 H 1 6.711 0.030 . 1 . . . . 37 TYR HE1 . 10107 1 430 . 1 1 37 37 TYR HE2 H 1 6.711 0.030 . 1 . . . . 37 TYR HE2 . 10107 1 431 . 1 1 37 37 TYR C C 13 178.130 0.300 . 1 . . . . 37 TYR C . 10107 1 432 . 1 1 37 37 TYR CA C 13 60.804 0.300 . 1 . . . . 37 TYR CA . 10107 1 433 . 1 1 37 37 TYR CB C 13 39.238 0.300 . 1 . . . . 37 TYR CB . 10107 1 434 . 1 1 37 37 TYR CD1 C 13 131.745 0.300 . 1 . . . . 37 TYR CD1 . 10107 1 435 . 1 1 37 37 TYR CD2 C 13 131.745 0.300 . 1 . . . . 37 TYR CD2 . 10107 1 436 . 1 1 37 37 TYR CE1 C 13 117.568 0.300 . 1 . . . . 37 TYR CE1 . 10107 1 437 . 1 1 37 37 TYR CE2 C 13 117.568 0.300 . 1 . . . . 37 TYR CE2 . 10107 1 438 . 1 1 37 37 TYR N N 15 114.211 0.300 . 1 . . . . 37 TYR N . 10107 1 439 . 1 1 38 38 CYS H H 1 7.449 0.030 . 1 . . . . 38 CYS H . 10107 1 440 . 1 1 38 38 CYS HA H 1 4.002 0.030 . 1 . . . . 38 CYS HA . 10107 1 441 . 1 1 38 38 CYS HB2 H 1 3.169 0.030 . 2 . . . . 38 CYS HB2 . 10107 1 442 . 1 1 38 38 CYS HB3 H 1 2.282 0.030 . 2 . . . . 38 CYS HB3 . 10107 1 443 . 1 1 38 38 CYS C C 13 175.813 0.300 . 1 . . . . 38 CYS C . 10107 1 444 . 1 1 38 38 CYS CA C 13 64.966 0.300 . 1 . . . . 38 CYS CA . 10107 1 445 . 1 1 38 38 CYS CB C 13 27.631 0.300 . 1 . . . . 38 CYS CB . 10107 1 446 . 1 1 38 38 CYS N N 15 115.843 0.300 . 1 . . . . 38 CYS N . 10107 1 447 . 1 1 39 39 GLN H H 1 8.157 0.030 . 1 . . . . 39 GLN H . 10107 1 448 . 1 1 39 39 GLN HA H 1 3.952 0.030 . 1 . . . . 39 GLN HA . 10107 1 449 . 1 1 39 39 GLN HB2 H 1 2.301 0.030 . 2 . . . . 39 GLN HB2 . 10107 1 450 . 1 1 39 39 GLN HB3 H 1 2.122 0.030 . 2 . . . . 39 GLN HB3 . 10107 1 451 . 1 1 39 39 GLN HG2 H 1 2.451 0.030 . 2 . . . . 39 GLN HG2 . 10107 1 452 . 1 1 39 39 GLN HG3 H 1 2.267 0.030 . 2 . . . . 39 GLN HG3 . 10107 1 453 . 1 1 39 39 GLN HE21 H 1 7.224 0.030 . 2 . . . . 39 GLN HE21 . 10107 1 454 . 1 1 39 39 GLN HE22 H 1 6.366 0.030 . 2 . . . . 39 GLN HE22 . 10107 1 455 . 1 1 39 39 GLN C C 13 178.722 0.300 . 1 . . . . 39 GLN C . 10107 1 456 . 1 1 39 39 GLN CA C 13 59.867 0.300 . 1 . . . . 39 GLN CA . 10107 1 457 . 1 1 39 39 GLN CB C 13 29.370 0.300 . 1 . . . . 39 GLN CB . 10107 1 458 . 1 1 39 39 GLN CG C 13 34.747 0.300 . 1 . . . . 39 GLN CG . 10107 1 459 . 1 1 39 39 GLN N N 15 119.310 0.300 . 1 . . . . 39 GLN N . 10107 1 460 . 1 1 39 39 GLN NE2 N 15 109.475 0.300 . 1 . . . . 39 GLN NE2 . 10107 1 461 . 1 1 40 40 PHE H H 1 8.740 0.030 . 1 . . . . 40 PHE H . 10107 1 462 . 1 1 40 40 PHE HA H 1 4.365 0.030 . 1 . . . . 40 PHE HA . 10107 1 463 . 1 1 40 40 PHE HB2 H 1 3.290 0.030 . 2 . . . . 40 PHE HB2 . 10107 1 464 . 1 1 40 40 PHE HB3 H 1 3.516 0.030 . 2 . . . . 40 PHE HB3 . 10107 1 465 . 1 1 40 40 PHE HD1 H 1 7.009 0.030 . 1 . . . . 40 PHE HD1 . 10107 1 466 . 1 1 40 40 PHE HD2 H 1 7.009 0.030 . 1 . . . . 40 PHE HD2 . 10107 1 467 . 1 1 40 40 PHE HE1 H 1 6.667 0.030 . 1 . . . . 40 PHE HE1 . 10107 1 468 . 1 1 40 40 PHE HE2 H 1 6.667 0.030 . 1 . . . . 40 PHE HE2 . 10107 1 469 . 1 1 40 40 PHE HZ H 1 6.492 0.030 . 1 . . . . 40 PHE HZ . 10107 1 470 . 1 1 40 40 PHE C C 13 178.142 0.300 . 1 . . . . 40 PHE C . 10107 1 471 . 1 1 40 40 PHE CA C 13 61.165 0.300 . 1 . . . . 40 PHE CA . 10107 1 472 . 1 1 40 40 PHE CB C 13 39.961 0.300 . 1 . . . . 40 PHE CB . 10107 1 473 . 1 1 40 40 PHE CD1 C 13 130.787 0.300 . 1 . . . . 40 PHE CD1 . 10107 1 474 . 1 1 40 40 PHE CD2 C 13 130.787 0.300 . 1 . . . . 40 PHE CD2 . 10107 1 475 . 1 1 40 40 PHE CE1 C 13 130.827 0.300 . 1 . . . . 40 PHE CE1 . 10107 1 476 . 1 1 40 40 PHE CE2 C 13 130.827 0.300 . 1 . . . . 40 PHE CE2 . 10107 1 477 . 1 1 40 40 PHE CZ C 13 130.202 0.300 . 1 . . . . 40 PHE CZ . 10107 1 478 . 1 1 40 40 PHE N N 15 120.444 0.300 . 1 . . . . 40 PHE N . 10107 1 479 . 1 1 41 41 MET H H 1 8.645 0.030 . 1 . . . . 41 MET H . 10107 1 480 . 1 1 41 41 MET HA H 1 4.597 0.030 . 1 . . . . 41 MET HA . 10107 1 481 . 1 1 41 41 MET HB2 H 1 2.344 0.030 . 2 . . . . 41 MET HB2 . 10107 1 482 . 1 1 41 41 MET HB3 H 1 2.496 0.030 . 2 . . . . 41 MET HB3 . 10107 1 483 . 1 1 41 41 MET HG2 H 1 3.012 0.030 . 2 . . . . 41 MET HG2 . 10107 1 484 . 1 1 41 41 MET HG3 H 1 2.955 0.030 . 2 . . . . 41 MET HG3 . 10107 1 485 . 1 1 41 41 MET HE1 H 1 2.097 0.030 . 1 . . . . 41 MET HE . 10107 1 486 . 1 1 41 41 MET HE2 H 1 2.097 0.030 . 1 . . . . 41 MET HE . 10107 1 487 . 1 1 41 41 MET HE3 H 1 2.097 0.030 . 1 . . . . 41 MET HE . 10107 1 488 . 1 1 41 41 MET C C 13 177.081 0.300 . 1 . . . . 41 MET C . 10107 1 489 . 1 1 41 41 MET CA C 13 58.338 0.300 . 1 . . . . 41 MET CA . 10107 1 490 . 1 1 41 41 MET CB C 13 31.766 0.300 . 1 . . . . 41 MET CB . 10107 1 491 . 1 1 41 41 MET CG C 13 33.814 0.300 . 1 . . . . 41 MET CG . 10107 1 492 . 1 1 41 41 MET CE C 13 18.411 0.300 . 1 . . . . 41 MET CE . 10107 1 493 . 1 1 41 41 MET N N 15 118.180 0.300 . 1 . . . . 41 MET N . 10107 1 494 . 1 1 42 42 ASP H H 1 7.772 0.030 . 1 . . . . 42 ASP H . 10107 1 495 . 1 1 42 42 ASP HA H 1 4.571 0.030 . 1 . . . . 42 ASP HA . 10107 1 496 . 1 1 42 42 ASP HB2 H 1 2.577 0.030 . 2 . . . . 42 ASP HB2 . 10107 1 497 . 1 1 42 42 ASP HB3 H 1 2.667 0.030 . 2 . . . . 42 ASP HB3 . 10107 1 498 . 1 1 42 42 ASP C C 13 175.633 0.300 . 1 . . . . 42 ASP C . 10107 1 499 . 1 1 42 42 ASP CA C 13 57.079 0.300 . 1 . . . . 42 ASP CA . 10107 1 500 . 1 1 42 42 ASP CB C 13 43.753 0.300 . 1 . . . . 42 ASP CB . 10107 1 501 . 1 1 42 42 ASP N N 15 117.360 0.300 . 1 . . . . 42 ASP N . 10107 1 502 . 1 1 43 43 MET H H 1 7.590 0.030 . 1 . . . . 43 MET H . 10107 1 503 . 1 1 43 43 MET HA H 1 4.066 0.030 . 1 . . . . 43 MET HA . 10107 1 504 . 1 1 43 43 MET HB2 H 1 2.253 0.030 . 2 . . . . 43 MET HB2 . 10107 1 505 . 1 1 43 43 MET HB3 H 1 2.374 0.030 . 2 . . . . 43 MET HB3 . 10107 1 506 . 1 1 43 43 MET HG2 H 1 2.667 0.030 . 2 . . . . 43 MET HG2 . 10107 1 507 . 1 1 43 43 MET HG3 H 1 2.440 0.030 . 2 . . . . 43 MET HG3 . 10107 1 508 . 1 1 43 43 MET HE1 H 1 1.889 0.030 . 1 . . . . 43 MET HE . 10107 1 509 . 1 1 43 43 MET HE2 H 1 1.889 0.030 . 1 . . . . 43 MET HE . 10107 1 510 . 1 1 43 43 MET HE3 H 1 1.889 0.030 . 1 . . . . 43 MET HE . 10107 1 511 . 1 1 43 43 MET C C 13 177.817 0.300 . 1 . . . . 43 MET C . 10107 1 512 . 1 1 43 43 MET CA C 13 58.502 0.300 . 1 . . . . 43 MET CA . 10107 1 513 . 1 1 43 43 MET CB C 13 33.535 0.300 . 1 . . . . 43 MET CB . 10107 1 514 . 1 1 43 43 MET CG C 13 31.496 0.300 . 1 . . . . 43 MET CG . 10107 1 515 . 1 1 43 43 MET CE C 13 16.767 0.300 . 1 . . . . 43 MET CE . 10107 1 516 . 1 1 43 43 MET N N 15 115.940 0.300 . 1 . . . . 43 MET N . 10107 1 517 . 1 1 44 44 LEU H H 1 8.032 0.030 . 1 . . . . 44 LEU H . 10107 1 518 . 1 1 44 44 LEU HA H 1 3.884 0.030 . 1 . . . . 44 LEU HA . 10107 1 519 . 1 1 44 44 LEU HB2 H 1 1.554 0.030 . 2 . . . . 44 LEU HB2 . 10107 1 520 . 1 1 44 44 LEU HB3 H 1 0.832 0.030 . 2 . . . . 44 LEU HB3 . 10107 1 521 . 1 1 44 44 LEU HG H 1 1.425 0.030 . 1 . . . . 44 LEU HG . 10107 1 522 . 1 1 44 44 LEU HD11 H 1 0.642 0.030 . 1 . . . . 44 LEU HD1 . 10107 1 523 . 1 1 44 44 LEU HD12 H 1 0.642 0.030 . 1 . . . . 44 LEU HD1 . 10107 1 524 . 1 1 44 44 LEU HD13 H 1 0.642 0.030 . 1 . . . . 44 LEU HD1 . 10107 1 525 . 1 1 44 44 LEU HD21 H 1 0.612 0.030 . 1 . . . . 44 LEU HD2 . 10107 1 526 . 1 1 44 44 LEU HD22 H 1 0.612 0.030 . 1 . . . . 44 LEU HD2 . 10107 1 527 . 1 1 44 44 LEU HD23 H 1 0.612 0.030 . 1 . . . . 44 LEU HD2 . 10107 1 528 . 1 1 44 44 LEU C C 13 176.743 0.300 . 1 . . . . 44 LEU C . 10107 1 529 . 1 1 44 44 LEU CA C 13 56.876 0.300 . 1 . . . . 44 LEU CA . 10107 1 530 . 1 1 44 44 LEU CB C 13 43.936 0.300 . 1 . . . . 44 LEU CB . 10107 1 531 . 1 1 44 44 LEU CG C 13 26.727 0.300 . 1 . . . . 44 LEU CG . 10107 1 532 . 1 1 44 44 LEU CD1 C 13 25.000 0.300 . 2 . . . . 44 LEU CD1 . 10107 1 533 . 1 1 44 44 LEU CD2 C 13 23.556 0.300 . 2 . . . . 44 LEU CD2 . 10107 1 534 . 1 1 44 44 LEU N N 15 118.588 0.300 . 1 . . . . 44 LEU N . 10107 1 535 . 1 1 45 45 PHE H H 1 8.478 0.030 . 1 . . . . 45 PHE H . 10107 1 536 . 1 1 45 45 PHE HA H 1 5.115 0.030 . 1 . . . . 45 PHE HA . 10107 1 537 . 1 1 45 45 PHE HB2 H 1 3.191 0.030 . 2 . . . . 45 PHE HB2 . 10107 1 538 . 1 1 45 45 PHE HB3 H 1 3.313 0.030 . 2 . . . . 45 PHE HB3 . 10107 1 539 . 1 1 45 45 PHE HD1 H 1 7.499 0.030 . 1 . . . . 45 PHE HD1 . 10107 1 540 . 1 1 45 45 PHE HD2 H 1 7.499 0.030 . 1 . . . . 45 PHE HD2 . 10107 1 541 . 1 1 45 45 PHE HE1 H 1 7.336 0.030 . 1 . . . . 45 PHE HE1 . 10107 1 542 . 1 1 45 45 PHE HE2 H 1 7.336 0.030 . 1 . . . . 45 PHE HE2 . 10107 1 543 . 1 1 45 45 PHE C C 13 171.627 0.300 . 1 . . . . 45 PHE C . 10107 1 544 . 1 1 45 45 PHE CA C 13 54.092 0.300 . 1 . . . . 45 PHE CA . 10107 1 545 . 1 1 45 45 PHE CB C 13 39.189 0.300 . 1 . . . . 45 PHE CB . 10107 1 546 . 1 1 45 45 PHE CD1 C 13 133.466 0.300 . 1 . . . . 45 PHE CD1 . 10107 1 547 . 1 1 45 45 PHE CD2 C 13 133.466 0.300 . 1 . . . . 45 PHE CD2 . 10107 1 548 . 1 1 45 45 PHE CE1 C 13 130.881 0.300 . 1 . . . . 45 PHE CE1 . 10107 1 549 . 1 1 45 45 PHE CE2 C 13 130.881 0.300 . 1 . . . . 45 PHE CE2 . 10107 1 550 . 1 1 45 45 PHE N N 15 116.289 0.300 . 1 . . . . 45 PHE N . 10107 1 551 . 1 1 46 46 PRO HA H 1 4.854 0.030 . 1 . . . . 46 PRO HA . 10107 1 552 . 1 1 46 46 PRO HB2 H 1 2.436 0.030 . 2 . . . . 46 PRO HB2 . 10107 1 553 . 1 1 46 46 PRO HB3 H 1 1.972 0.030 . 2 . . . . 46 PRO HB3 . 10107 1 554 . 1 1 46 46 PRO HG2 H 1 2.129 0.030 . 1 . . . . 46 PRO HG2 . 10107 1 555 . 1 1 46 46 PRO HG3 H 1 2.129 0.030 . 1 . . . . 46 PRO HG3 . 10107 1 556 . 1 1 46 46 PRO HD2 H 1 3.643 0.030 . 2 . . . . 46 PRO HD2 . 10107 1 557 . 1 1 46 46 PRO HD3 H 1 3.438 0.030 . 2 . . . . 46 PRO HD3 . 10107 1 558 . 1 1 46 46 PRO C C 13 178.782 0.300 . 1 . . . . 46 PRO C . 10107 1 559 . 1 1 46 46 PRO CA C 13 64.856 0.300 . 1 . . . . 46 PRO CA . 10107 1 560 . 1 1 46 46 PRO CB C 13 31.591 0.300 . 1 . . . . 46 PRO CB . 10107 1 561 . 1 1 46 46 PRO CG C 13 27.600 0.300 . 1 . . . . 46 PRO CG . 10107 1 562 . 1 1 46 46 PRO CD C 13 50.156 0.300 . 1 . . . . 46 PRO CD . 10107 1 563 . 1 1 47 47 GLY H H 1 9.237 0.030 . 1 . . . . 47 GLY H . 10107 1 564 . 1 1 47 47 GLY HA2 H 1 3.905 0.030 . 2 . . . . 47 GLY HA2 . 10107 1 565 . 1 1 47 47 GLY HA3 H 1 4.456 0.030 . 2 . . . . 47 GLY HA3 . 10107 1 566 . 1 1 47 47 GLY C C 13 175.368 0.300 . 1 . . . . 47 GLY C . 10107 1 567 . 1 1 47 47 GLY CA C 13 45.478 0.300 . 1 . . . . 47 GLY CA . 10107 1 568 . 1 1 47 47 GLY N N 15 115.177 0.300 . 1 . . . . 47 GLY N . 10107 1 569 . 1 1 48 48 SER H H 1 8.760 0.030 . 1 . . . . 48 SER H . 10107 1 570 . 1 1 48 48 SER HA H 1 4.063 0.030 . 1 . . . . 48 SER HA . 10107 1 571 . 1 1 48 48 SER HB2 H 1 3.840 0.030 . 2 . . . . 48 SER HB2 . 10107 1 572 . 1 1 48 48 SER HB3 H 1 4.228 0.030 . 2 . . . . 48 SER HB3 . 10107 1 573 . 1 1 48 48 SER C C 13 173.955 0.300 . 1 . . . . 48 SER C . 10107 1 574 . 1 1 48 48 SER CA C 13 61.281 0.300 . 1 . . . . 48 SER CA . 10107 1 575 . 1 1 48 48 SER CB C 13 63.869 0.300 . 1 . . . . 48 SER CB . 10107 1 576 . 1 1 48 48 SER N N 15 116.553 0.300 . 1 . . . . 48 SER N . 10107 1 577 . 1 1 49 49 ILE H H 1 7.774 0.030 . 1 . . . . 49 ILE H . 10107 1 578 . 1 1 49 49 ILE HA H 1 4.643 0.030 . 1 . . . . 49 ILE HA . 10107 1 579 . 1 1 49 49 ILE HB H 1 1.870 0.030 . 1 . . . . 49 ILE HB . 10107 1 580 . 1 1 49 49 ILE HG12 H 1 1.598 0.030 . 2 . . . . 49 ILE HG12 . 10107 1 581 . 1 1 49 49 ILE HG13 H 1 1.528 0.030 . 2 . . . . 49 ILE HG13 . 10107 1 582 . 1 1 49 49 ILE HG21 H 1 0.841 0.030 . 1 . . . . 49 ILE HG2 . 10107 1 583 . 1 1 49 49 ILE HG22 H 1 0.841 0.030 . 1 . . . . 49 ILE HG2 . 10107 1 584 . 1 1 49 49 ILE HG23 H 1 0.841 0.030 . 1 . . . . 49 ILE HG2 . 10107 1 585 . 1 1 49 49 ILE HD11 H 1 0.909 0.030 . 1 . . . . 49 ILE HD1 . 10107 1 586 . 1 1 49 49 ILE HD12 H 1 0.909 0.030 . 1 . . . . 49 ILE HD1 . 10107 1 587 . 1 1 49 49 ILE HD13 H 1 0.909 0.030 . 1 . . . . 49 ILE HD1 . 10107 1 588 . 1 1 49 49 ILE C C 13 175.114 0.300 . 1 . . . . 49 ILE C . 10107 1 589 . 1 1 49 49 ILE CA C 13 57.436 0.300 . 1 . . . . 49 ILE CA . 10107 1 590 . 1 1 49 49 ILE CB C 13 41.574 0.300 . 1 . . . . 49 ILE CB . 10107 1 591 . 1 1 49 49 ILE CG1 C 13 25.690 0.300 . 1 . . . . 49 ILE CG1 . 10107 1 592 . 1 1 49 49 ILE CG2 C 13 18.479 0.300 . 1 . . . . 49 ILE CG2 . 10107 1 593 . 1 1 49 49 ILE CD1 C 13 13.471 0.300 . 1 . . . . 49 ILE CD1 . 10107 1 594 . 1 1 49 49 ILE N N 15 116.715 0.300 . 1 . . . . 49 ILE N . 10107 1 595 . 1 1 50 50 ALA H H 1 7.894 0.030 . 1 . . . . 50 ALA H . 10107 1 596 . 1 1 50 50 ALA HA H 1 4.711 0.030 . 1 . . . . 50 ALA HA . 10107 1 597 . 1 1 50 50 ALA HB1 H 1 1.359 0.030 . 1 . . . . 50 ALA HB . 10107 1 598 . 1 1 50 50 ALA HB2 H 1 1.359 0.030 . 1 . . . . 50 ALA HB . 10107 1 599 . 1 1 50 50 ALA HB3 H 1 1.359 0.030 . 1 . . . . 50 ALA HB . 10107 1 600 . 1 1 50 50 ALA C C 13 176.067 0.300 . 1 . . . . 50 ALA C . 10107 1 601 . 1 1 50 50 ALA CA C 13 50.583 0.300 . 1 . . . . 50 ALA CA . 10107 1 602 . 1 1 50 50 ALA CB C 13 16.578 0.300 . 1 . . . . 50 ALA CB . 10107 1 603 . 1 1 50 50 ALA N N 15 128.609 0.300 . 1 . . . . 50 ALA N . 10107 1 604 . 1 1 51 51 LEU H H 1 7.949 0.030 . 1 . . . . 51 LEU H . 10107 1 605 . 1 1 51 51 LEU HA H 1 3.902 0.030 . 1 . . . . 51 LEU HA . 10107 1 606 . 1 1 51 51 LEU HB2 H 1 1.589 0.030 . 2 . . . . 51 LEU HB2 . 10107 1 607 . 1 1 51 51 LEU HB3 H 1 1.835 0.030 . 2 . . . . 51 LEU HB3 . 10107 1 608 . 1 1 51 51 LEU HG H 1 1.849 0.030 . 1 . . . . 51 LEU HG . 10107 1 609 . 1 1 51 51 LEU HD11 H 1 0.966 0.030 . 1 . . . . 51 LEU HD1 . 10107 1 610 . 1 1 51 51 LEU HD12 H 1 0.966 0.030 . 1 . . . . 51 LEU HD1 . 10107 1 611 . 1 1 51 51 LEU HD13 H 1 0.966 0.030 . 1 . . . . 51 LEU HD1 . 10107 1 612 . 1 1 51 51 LEU HD21 H 1 1.013 0.030 . 1 . . . . 51 LEU HD2 . 10107 1 613 . 1 1 51 51 LEU HD22 H 1 1.013 0.030 . 1 . . . . 51 LEU HD2 . 10107 1 614 . 1 1 51 51 LEU HD23 H 1 1.013 0.030 . 1 . . . . 51 LEU HD2 . 10107 1 615 . 1 1 51 51 LEU C C 13 178.686 0.300 . 1 . . . . 51 LEU C . 10107 1 616 . 1 1 51 51 LEU CA C 13 57.895 0.300 . 1 . . . . 51 LEU CA . 10107 1 617 . 1 1 51 51 LEU CB C 13 42.873 0.300 . 1 . . . . 51 LEU CB . 10107 1 618 . 1 1 51 51 LEU CG C 13 26.894 0.300 . 1 . . . . 51 LEU CG . 10107 1 619 . 1 1 51 51 LEU CD1 C 13 24.262 0.300 . 2 . . . . 51 LEU CD1 . 10107 1 620 . 1 1 51 51 LEU CD2 C 13 24.569 0.300 . 2 . . . . 51 LEU CD2 . 10107 1 621 . 1 1 51 51 LEU N N 15 126.486 0.300 . 1 . . . . 51 LEU N . 10107 1 622 . 1 1 52 52 LYS H H 1 8.586 0.030 . 1 . . . . 52 LYS H . 10107 1 623 . 1 1 52 52 LYS HA H 1 4.247 0.030 . 1 . . . . 52 LYS HA . 10107 1 624 . 1 1 52 52 LYS HB2 H 1 1.904 0.030 . 1 . . . . 52 LYS HB2 . 10107 1 625 . 1 1 52 52 LYS HB3 H 1 1.904 0.030 . 1 . . . . 52 LYS HB3 . 10107 1 626 . 1 1 52 52 LYS HG2 H 1 1.529 0.030 . 1 . . . . 52 LYS HG2 . 10107 1 627 . 1 1 52 52 LYS HG3 H 1 1.529 0.030 . 1 . . . . 52 LYS HG3 . 10107 1 628 . 1 1 52 52 LYS HD2 H 1 1.736 0.030 . 2 . . . . 52 LYS HD2 . 10107 1 629 . 1 1 52 52 LYS HD3 H 1 1.670 0.030 . 2 . . . . 52 LYS HD3 . 10107 1 630 . 1 1 52 52 LYS HE2 H 1 3.045 0.030 . 1 . . . . 52 LYS HE2 . 10107 1 631 . 1 1 52 52 LYS HE3 H 1 3.045 0.030 . 1 . . . . 52 LYS HE3 . 10107 1 632 . 1 1 52 52 LYS C C 13 177.189 0.300 . 1 . . . . 52 LYS C . 10107 1 633 . 1 1 52 52 LYS CA C 13 58.250 0.300 . 1 . . . . 52 LYS CA . 10107 1 634 . 1 1 52 52 LYS CB C 13 31.892 0.300 . 1 . . . . 52 LYS CB . 10107 1 635 . 1 1 52 52 LYS CG C 13 25.454 0.300 . 1 . . . . 52 LYS CG . 10107 1 636 . 1 1 52 52 LYS CD C 13 28.980 0.300 . 1 . . . . 52 LYS CD . 10107 1 637 . 1 1 52 52 LYS CE C 13 42.208 0.300 . 1 . . . . 52 LYS CE . 10107 1 638 . 1 1 52 52 LYS N N 15 114.870 0.300 . 1 . . . . 52 LYS N . 10107 1 639 . 1 1 53 53 LYS H H 1 7.805 0.030 . 1 . . . . 53 LYS H . 10107 1 640 . 1 1 53 53 LYS HA H 1 4.339 0.030 . 1 . . . . 53 LYS HA . 10107 1 641 . 1 1 53 53 LYS HB2 H 1 1.920 0.030 . 2 . . . . 53 LYS HB2 . 10107 1 642 . 1 1 53 53 LYS HB3 H 1 2.058 0.030 . 2 . . . . 53 LYS HB3 . 10107 1 643 . 1 1 53 53 LYS HG2 H 1 1.503 0.030 . 2 . . . . 53 LYS HG2 . 10107 1 644 . 1 1 53 53 LYS HG3 H 1 1.368 0.030 . 2 . . . . 53 LYS HG3 . 10107 1 645 . 1 1 53 53 LYS HD2 H 1 1.693 0.030 . 1 . . . . 53 LYS HD2 . 10107 1 646 . 1 1 53 53 LYS HD3 H 1 1.693 0.030 . 1 . . . . 53 LYS HD3 . 10107 1 647 . 1 1 53 53 LYS HE2 H 1 2.980 0.030 . 1 . . . . 53 LYS HE2 . 10107 1 648 . 1 1 53 53 LYS HE3 H 1 2.980 0.030 . 1 . . . . 53 LYS HE3 . 10107 1 649 . 1 1 53 53 LYS C C 13 175.838 0.300 . 1 . . . . 53 LYS C . 10107 1 650 . 1 1 53 53 LYS CA C 13 55.754 0.300 . 1 . . . . 53 LYS CA . 10107 1 651 . 1 1 53 53 LYS CB C 13 33.228 0.300 . 1 . . . . 53 LYS CB . 10107 1 652 . 1 1 53 53 LYS CG C 13 25.631 0.300 . 1 . . . . 53 LYS CG . 10107 1 653 . 1 1 53 53 LYS CD C 13 28.894 0.300 . 1 . . . . 53 LYS CD . 10107 1 654 . 1 1 53 53 LYS CE C 13 42.110 0.300 . 1 . . . . 53 LYS CE . 10107 1 655 . 1 1 53 53 LYS N N 15 116.636 0.300 . 1 . . . . 53 LYS N . 10107 1 656 . 1 1 54 54 VAL H H 1 7.368 0.030 . 1 . . . . 54 VAL H . 10107 1 657 . 1 1 54 54 VAL HA H 1 3.453 0.030 . 1 . . . . 54 VAL HA . 10107 1 658 . 1 1 54 54 VAL HB H 1 1.930 0.030 . 1 . . . . 54 VAL HB . 10107 1 659 . 1 1 54 54 VAL HG11 H 1 0.956 0.030 . 1 . . . . 54 VAL HG1 . 10107 1 660 . 1 1 54 54 VAL HG12 H 1 0.956 0.030 . 1 . . . . 54 VAL HG1 . 10107 1 661 . 1 1 54 54 VAL HG13 H 1 0.956 0.030 . 1 . . . . 54 VAL HG1 . 10107 1 662 . 1 1 54 54 VAL HG21 H 1 -0.106 0.030 . 1 . . . . 54 VAL HG2 . 10107 1 663 . 1 1 54 54 VAL HG22 H 1 -0.106 0.030 . 1 . . . . 54 VAL HG2 . 10107 1 664 . 1 1 54 54 VAL HG23 H 1 -0.106 0.030 . 1 . . . . 54 VAL HG2 . 10107 1 665 . 1 1 54 54 VAL C C 13 175.193 0.300 . 1 . . . . 54 VAL C . 10107 1 666 . 1 1 54 54 VAL CA C 13 62.947 0.300 . 1 . . . . 54 VAL CA . 10107 1 667 . 1 1 54 54 VAL CB C 13 32.097 0.300 . 1 . . . . 54 VAL CB . 10107 1 668 . 1 1 54 54 VAL CG1 C 13 23.756 0.300 . 2 . . . . 54 VAL CG1 . 10107 1 669 . 1 1 54 54 VAL CG2 C 13 19.536 0.300 . 2 . . . . 54 VAL CG2 . 10107 1 670 . 1 1 54 54 VAL N N 15 121.930 0.300 . 1 . . . . 54 VAL N . 10107 1 671 . 1 1 55 55 LYS H H 1 9.141 0.030 . 1 . . . . 55 LYS H . 10107 1 672 . 1 1 55 55 LYS HA H 1 4.605 0.030 . 1 . . . . 55 LYS HA . 10107 1 673 . 1 1 55 55 LYS HB2 H 1 1.811 0.030 . 2 . . . . 55 LYS HB2 . 10107 1 674 . 1 1 55 55 LYS HB3 H 1 1.746 0.030 . 2 . . . . 55 LYS HB3 . 10107 1 675 . 1 1 55 55 LYS HG2 H 1 1.440 0.030 . 1 . . . . 55 LYS HG2 . 10107 1 676 . 1 1 55 55 LYS HG3 H 1 1.440 0.030 . 1 . . . . 55 LYS HG3 . 10107 1 677 . 1 1 55 55 LYS HD2 H 1 1.670 0.030 . 1 . . . . 55 LYS HD2 . 10107 1 678 . 1 1 55 55 LYS HD3 H 1 1.670 0.030 . 1 . . . . 55 LYS HD3 . 10107 1 679 . 1 1 55 55 LYS HE2 H 1 3.064 0.030 . 1 . . . . 55 LYS HE2 . 10107 1 680 . 1 1 55 55 LYS HE3 H 1 3.064 0.030 . 1 . . . . 55 LYS HE3 . 10107 1 681 . 1 1 55 55 LYS C C 13 176.683 0.300 . 1 . . . . 55 LYS C . 10107 1 682 . 1 1 55 55 LYS CA C 13 54.080 0.300 . 1 . . . . 55 LYS CA . 10107 1 683 . 1 1 55 55 LYS CB C 13 31.671 0.300 . 1 . . . . 55 LYS CB . 10107 1 684 . 1 1 55 55 LYS CG C 13 24.699 0.300 . 1 . . . . 55 LYS CG . 10107 1 685 . 1 1 55 55 LYS CD C 13 28.915 0.300 . 1 . . . . 55 LYS CD . 10107 1 686 . 1 1 55 55 LYS CE C 13 42.396 0.300 . 1 . . . . 55 LYS CE . 10107 1 687 . 1 1 55 55 LYS N N 15 127.456 0.300 . 1 . . . . 55 LYS N . 10107 1 688 . 1 1 56 56 PHE H H 1 8.587 0.030 . 1 . . . . 56 PHE H . 10107 1 689 . 1 1 56 56 PHE HA H 1 4.001 0.030 . 1 . . . . 56 PHE HA . 10107 1 690 . 1 1 56 56 PHE HB2 H 1 2.920 0.030 . 2 . . . . 56 PHE HB2 . 10107 1 691 . 1 1 56 56 PHE HB3 H 1 3.162 0.030 . 2 . . . . 56 PHE HB3 . 10107 1 692 . 1 1 56 56 PHE HD1 H 1 7.282 0.030 . 1 . . . . 56 PHE HD1 . 10107 1 693 . 1 1 56 56 PHE HD2 H 1 7.282 0.030 . 1 . . . . 56 PHE HD2 . 10107 1 694 . 1 1 56 56 PHE HE1 H 1 7.282 0.030 . 1 . . . . 56 PHE HE1 . 10107 1 695 . 1 1 56 56 PHE HE2 H 1 7.282 0.030 . 1 . . . . 56 PHE HE2 . 10107 1 696 . 1 1 56 56 PHE HZ H 1 7.049 0.030 . 1 . . . . 56 PHE HZ . 10107 1 697 . 1 1 56 56 PHE C C 13 176.514 0.300 . 1 . . . . 56 PHE C . 10107 1 698 . 1 1 56 56 PHE CA C 13 61.630 0.300 . 1 . . . . 56 PHE CA . 10107 1 699 . 1 1 56 56 PHE CB C 13 38.901 0.300 . 1 . . . . 56 PHE CB . 10107 1 700 . 1 1 56 56 PHE CD1 C 13 131.640 0.300 . 1 . . . . 56 PHE CD1 . 10107 1 701 . 1 1 56 56 PHE CD2 C 13 131.640 0.300 . 1 . . . . 56 PHE CD2 . 10107 1 702 . 1 1 56 56 PHE CE1 C 13 131.640 0.300 . 1 . . . . 56 PHE CE1 . 10107 1 703 . 1 1 56 56 PHE CE2 C 13 131.640 0.300 . 1 . . . . 56 PHE CE2 . 10107 1 704 . 1 1 56 56 PHE CZ C 13 129.071 0.300 . 1 . . . . 56 PHE CZ . 10107 1 705 . 1 1 56 56 PHE N N 15 125.131 0.300 . 1 . . . . 56 PHE N . 10107 1 706 . 1 1 57 57 GLN H H 1 8.879 0.030 . 1 . . . . 57 GLN H . 10107 1 707 . 1 1 57 57 GLN HA H 1 4.618 0.030 . 1 . . . . 57 GLN HA . 10107 1 708 . 1 1 57 57 GLN HB2 H 1 2.310 0.030 . 2 . . . . 57 GLN HB2 . 10107 1 709 . 1 1 57 57 GLN HB3 H 1 2.002 0.030 . 2 . . . . 57 GLN HB3 . 10107 1 710 . 1 1 57 57 GLN HG2 H 1 2.356 0.030 . 1 . . . . 57 GLN HG2 . 10107 1 711 . 1 1 57 57 GLN HG3 H 1 2.356 0.030 . 1 . . . . 57 GLN HG3 . 10107 1 712 . 1 1 57 57 GLN HE21 H 1 7.546 0.030 . 2 . . . . 57 GLN HE21 . 10107 1 713 . 1 1 57 57 GLN HE22 H 1 6.886 0.030 . 2 . . . . 57 GLN HE22 . 10107 1 714 . 1 1 57 57 GLN C C 13 174.752 0.300 . 1 . . . . 57 GLN C . 10107 1 715 . 1 1 57 57 GLN CA C 13 54.407 0.300 . 1 . . . . 57 GLN CA . 10107 1 716 . 1 1 57 57 GLN CB C 13 26.971 0.300 . 1 . . . . 57 GLN CB . 10107 1 717 . 1 1 57 57 GLN CG C 13 33.893 0.300 . 1 . . . . 57 GLN CG . 10107 1 718 . 1 1 57 57 GLN N N 15 119.240 0.300 . 1 . . . . 57 GLN N . 10107 1 719 . 1 1 57 57 GLN NE2 N 15 112.672 0.300 . 1 . . . . 57 GLN NE2 . 10107 1 720 . 1 1 58 58 ALA H H 1 7.015 0.030 . 1 . . . . 58 ALA H . 10107 1 721 . 1 1 58 58 ALA HA H 1 4.086 0.030 . 1 . . . . 58 ALA HA . 10107 1 722 . 1 1 58 58 ALA HB1 H 1 1.544 0.030 . 1 . . . . 58 ALA HB . 10107 1 723 . 1 1 58 58 ALA HB2 H 1 1.544 0.030 . 1 . . . . 58 ALA HB . 10107 1 724 . 1 1 58 58 ALA HB3 H 1 1.544 0.030 . 1 . . . . 58 ALA HB . 10107 1 725 . 1 1 58 58 ALA C C 13 176.863 0.300 . 1 . . . . 58 ALA C . 10107 1 726 . 1 1 58 58 ALA CA C 13 53.141 0.300 . 1 . . . . 58 ALA CA . 10107 1 727 . 1 1 58 58 ALA CB C 13 20.904 0.300 . 1 . . . . 58 ALA CB . 10107 1 728 . 1 1 58 58 ALA N N 15 121.081 0.300 . 1 . . . . 58 ALA N . 10107 1 729 . 1 1 59 59 LYS H H 1 8.988 0.030 . 1 . . . . 59 LYS H . 10107 1 730 . 1 1 59 59 LYS HA H 1 4.813 0.030 . 1 . . . . 59 LYS HA . 10107 1 731 . 1 1 59 59 LYS HB2 H 1 1.968 0.030 . 2 . . . . 59 LYS HB2 . 10107 1 732 . 1 1 59 59 LYS HB3 H 1 1.795 0.030 . 2 . . . . 59 LYS HB3 . 10107 1 733 . 1 1 59 59 LYS HG2 H 1 1.543 0.030 . 1 . . . . 59 LYS HG2 . 10107 1 734 . 1 1 59 59 LYS HG3 H 1 1.543 0.030 . 1 . . . . 59 LYS HG3 . 10107 1 735 . 1 1 59 59 LYS HD2 H 1 1.742 0.030 . 2 . . . . 59 LYS HD2 . 10107 1 736 . 1 1 59 59 LYS HD3 H 1 1.698 0.030 . 2 . . . . 59 LYS HD3 . 10107 1 737 . 1 1 59 59 LYS HE2 H 1 3.036 0.030 . 1 . . . . 59 LYS HE2 . 10107 1 738 . 1 1 59 59 LYS HE3 H 1 3.036 0.030 . 1 . . . . 59 LYS HE3 . 10107 1 739 . 1 1 59 59 LYS C C 13 174.402 0.300 . 1 . . . . 59 LYS C . 10107 1 740 . 1 1 59 59 LYS CA C 13 56.019 0.300 . 1 . . . . 59 LYS CA . 10107 1 741 . 1 1 59 59 LYS CB C 13 35.903 0.300 . 1 . . . . 59 LYS CB . 10107 1 742 . 1 1 59 59 LYS CG C 13 24.460 0.300 . 1 . . . . 59 LYS CG . 10107 1 743 . 1 1 59 59 LYS CD C 13 27.996 0.300 . 1 . . . . 59 LYS CD . 10107 1 744 . 1 1 59 59 LYS CE C 13 42.366 0.300 . 1 . . . . 59 LYS CE . 10107 1 745 . 1 1 59 59 LYS N N 15 119.743 0.300 . 1 . . . . 59 LYS N . 10107 1 746 . 1 1 60 60 LEU H H 1 7.650 0.030 . 1 . . . . 60 LEU H . 10107 1 747 . 1 1 60 60 LEU HA H 1 4.550 0.030 . 1 . . . . 60 LEU HA . 10107 1 748 . 1 1 60 60 LEU HB2 H 1 1.232 0.030 . 2 . . . . 60 LEU HB2 . 10107 1 749 . 1 1 60 60 LEU HB3 H 1 1.493 0.030 . 2 . . . . 60 LEU HB3 . 10107 1 750 . 1 1 60 60 LEU HG H 1 1.529 0.030 . 1 . . . . 60 LEU HG . 10107 1 751 . 1 1 60 60 LEU HD11 H 1 0.964 0.030 . 1 . . . . 60 LEU HD1 . 10107 1 752 . 1 1 60 60 LEU HD12 H 1 0.964 0.030 . 1 . . . . 60 LEU HD1 . 10107 1 753 . 1 1 60 60 LEU HD13 H 1 0.964 0.030 . 1 . . . . 60 LEU HD1 . 10107 1 754 . 1 1 60 60 LEU HD21 H 1 0.924 0.030 . 1 . . . . 60 LEU HD2 . 10107 1 755 . 1 1 60 60 LEU HD22 H 1 0.924 0.030 . 1 . . . . 60 LEU HD2 . 10107 1 756 . 1 1 60 60 LEU HD23 H 1 0.924 0.030 . 1 . . . . 60 LEU HD2 . 10107 1 757 . 1 1 60 60 LEU C C 13 176.393 0.300 . 1 . . . . 60 LEU C . 10107 1 758 . 1 1 60 60 LEU CA C 13 52.673 0.300 . 1 . . . . 60 LEU CA . 10107 1 759 . 1 1 60 60 LEU CB C 13 45.014 0.300 . 1 . . . . 60 LEU CB . 10107 1 760 . 1 1 60 60 LEU CG C 13 26.948 0.300 . 1 . . . . 60 LEU CG . 10107 1 761 . 1 1 60 60 LEU CD1 C 13 26.002 0.300 . 2 . . . . 60 LEU CD1 . 10107 1 762 . 1 1 60 60 LEU CD2 C 13 22.868 0.300 . 2 . . . . 60 LEU CD2 . 10107 1 763 . 1 1 60 60 LEU N N 15 119.182 0.300 . 1 . . . . 60 LEU N . 10107 1 764 . 1 1 61 61 GLU H H 1 8.665 0.030 . 1 . . . . 61 GLU H . 10107 1 765 . 1 1 61 61 GLU HA H 1 3.487 0.030 . 1 . . . . 61 GLU HA . 10107 1 766 . 1 1 61 61 GLU HB2 H 1 2.127 0.030 . 2 . . . . 61 GLU HB2 . 10107 1 767 . 1 1 61 61 GLU HB3 H 1 1.970 0.030 . 2 . . . . 61 GLU HB3 . 10107 1 768 . 1 1 61 61 GLU HG2 H 1 2.221 0.030 . 1 . . . . 61 GLU HG2 . 10107 1 769 . 1 1 61 61 GLU HG3 H 1 2.221 0.030 . 1 . . . . 61 GLU HG3 . 10107 1 770 . 1 1 61 61 GLU C C 13 177.563 0.300 . 1 . . . . 61 GLU C . 10107 1 771 . 1 1 61 61 GLU CA C 13 60.925 0.300 . 1 . . . . 61 GLU CA . 10107 1 772 . 1 1 61 61 GLU CB C 13 29.876 0.300 . 1 . . . . 61 GLU CB . 10107 1 773 . 1 1 61 61 GLU CG C 13 37.145 0.300 . 1 . . . . 61 GLU CG . 10107 1 774 . 1 1 61 61 GLU N N 15 122.850 0.300 . 1 . . . . 61 GLU N . 10107 1 775 . 1 1 62 62 HIS H H 1 8.417 0.030 . 1 . . . . 62 HIS H . 10107 1 776 . 1 1 62 62 HIS HA H 1 4.331 0.030 . 1 . . . . 62 HIS HA . 10107 1 777 . 1 1 62 62 HIS HB2 H 1 3.083 0.030 . 2 . . . . 62 HIS HB2 . 10107 1 778 . 1 1 62 62 HIS HB3 H 1 3.260 0.030 . 2 . . . . 62 HIS HB3 . 10107 1 779 . 1 1 62 62 HIS HD2 H 1 7.047 0.030 . 1 . . . . 62 HIS HD2 . 10107 1 780 . 1 1 62 62 HIS HE1 H 1 7.851 0.030 . 1 . . . . 62 HIS HE1 . 10107 1 781 . 1 1 62 62 HIS C C 13 177.720 0.300 . 1 . . . . 62 HIS C . 10107 1 782 . 1 1 62 62 HIS CA C 13 59.573 0.300 . 1 . . . . 62 HIS CA . 10107 1 783 . 1 1 62 62 HIS CB C 13 29.197 0.300 . 1 . . . . 62 HIS CB . 10107 1 784 . 1 1 62 62 HIS CD2 C 13 119.339 0.300 . 1 . . . . 62 HIS CD2 . 10107 1 785 . 1 1 62 62 HIS CE1 C 13 138.864 0.300 . 1 . . . . 62 HIS CE1 . 10107 1 786 . 1 1 62 62 HIS N N 15 113.167 0.300 . 1 . . . . 62 HIS N . 10107 1 787 . 1 1 63 63 GLU H H 1 6.952 0.030 . 1 . . . . 63 GLU H . 10107 1 788 . 1 1 63 63 GLU HA H 1 4.082 0.030 . 1 . . . . 63 GLU HA . 10107 1 789 . 1 1 63 63 GLU HB2 H 1 2.482 0.030 . 2 . . . . 63 GLU HB2 . 10107 1 790 . 1 1 63 63 GLU HB3 H 1 1.787 0.030 . 2 . . . . 63 GLU HB3 . 10107 1 791 . 1 1 63 63 GLU HG2 H 1 1.977 0.030 . 2 . . . . 63 GLU HG2 . 10107 1 792 . 1 1 63 63 GLU HG3 H 1 1.694 0.030 . 2 . . . . 63 GLU HG3 . 10107 1 793 . 1 1 63 63 GLU C C 13 178.179 0.300 . 1 . . . . 63 GLU C . 10107 1 794 . 1 1 63 63 GLU CA C 13 58.251 0.300 . 1 . . . . 63 GLU CA . 10107 1 795 . 1 1 63 63 GLU CB C 13 31.188 0.300 . 1 . . . . 63 GLU CB . 10107 1 796 . 1 1 63 63 GLU CG C 13 37.298 0.300 . 1 . . . . 63 GLU CG . 10107 1 797 . 1 1 63 63 GLU N N 15 120.465 0.300 . 1 . . . . 63 GLU N . 10107 1 798 . 1 1 64 64 TYR H H 1 7.632 0.030 . 1 . . . . 64 TYR H . 10107 1 799 . 1 1 64 64 TYR HA H 1 4.857 0.030 . 1 . . . . 64 TYR HA . 10107 1 800 . 1 1 64 64 TYR HB2 H 1 3.881 0.030 . 2 . . . . 64 TYR HB2 . 10107 1 801 . 1 1 64 64 TYR HB3 H 1 3.588 0.030 . 2 . . . . 64 TYR HB3 . 10107 1 802 . 1 1 64 64 TYR HD1 H 1 6.984 0.030 . 1 . . . . 64 TYR HD1 . 10107 1 803 . 1 1 64 64 TYR HD2 H 1 6.984 0.030 . 1 . . . . 64 TYR HD2 . 10107 1 804 . 1 1 64 64 TYR HE1 H 1 6.620 0.030 . 1 . . . . 64 TYR HE1 . 10107 1 805 . 1 1 64 64 TYR HE2 H 1 6.620 0.030 . 1 . . . . 64 TYR HE2 . 10107 1 806 . 1 1 64 64 TYR C C 13 178.939 0.300 . 1 . . . . 64 TYR C . 10107 1 807 . 1 1 64 64 TYR CA C 13 56.609 0.300 . 1 . . . . 64 TYR CA . 10107 1 808 . 1 1 64 64 TYR CB C 13 36.484 0.300 . 1 . . . . 64 TYR CB . 10107 1 809 . 1 1 64 64 TYR CD1 C 13 131.680 0.300 . 1 . . . . 64 TYR CD1 . 10107 1 810 . 1 1 64 64 TYR CD2 C 13 131.680 0.300 . 1 . . . . 64 TYR CD2 . 10107 1 811 . 1 1 64 64 TYR CE1 C 13 117.698 0.300 . 1 . . . . 64 TYR CE1 . 10107 1 812 . 1 1 64 64 TYR CE2 C 13 117.698 0.300 . 1 . . . . 64 TYR CE2 . 10107 1 813 . 1 1 64 64 TYR N N 15 120.009 0.300 . 1 . . . . 64 TYR N . 10107 1 814 . 1 1 65 65 ILE H H 1 8.486 0.030 . 1 . . . . 65 ILE H . 10107 1 815 . 1 1 65 65 ILE HA H 1 3.609 0.030 . 1 . . . . 65 ILE HA . 10107 1 816 . 1 1 65 65 ILE HB H 1 1.963 0.030 . 1 . . . . 65 ILE HB . 10107 1 817 . 1 1 65 65 ILE HG12 H 1 1.007 0.030 . 2 . . . . 65 ILE HG12 . 10107 1 818 . 1 1 65 65 ILE HG13 H 1 2.024 0.030 . 2 . . . . 65 ILE HG13 . 10107 1 819 . 1 1 65 65 ILE HG21 H 1 0.966 0.030 . 1 . . . . 65 ILE HG2 . 10107 1 820 . 1 1 65 65 ILE HG22 H 1 0.966 0.030 . 1 . . . . 65 ILE HG2 . 10107 1 821 . 1 1 65 65 ILE HG23 H 1 0.966 0.030 . 1 . . . . 65 ILE HG2 . 10107 1 822 . 1 1 65 65 ILE HD11 H 1 0.966 0.030 . 1 . . . . 65 ILE HD1 . 10107 1 823 . 1 1 65 65 ILE HD12 H 1 0.966 0.030 . 1 . . . . 65 ILE HD1 . 10107 1 824 . 1 1 65 65 ILE HD13 H 1 0.966 0.030 . 1 . . . . 65 ILE HD1 . 10107 1 825 . 1 1 65 65 ILE C C 13 177.635 0.300 . 1 . . . . 65 ILE C . 10107 1 826 . 1 1 65 65 ILE CA C 13 66.174 0.300 . 1 . . . . 65 ILE CA . 10107 1 827 . 1 1 65 65 ILE CB C 13 38.492 0.300 . 1 . . . . 65 ILE CB . 10107 1 828 . 1 1 65 65 ILE CG1 C 13 30.706 0.300 . 1 . . . . 65 ILE CG1 . 10107 1 829 . 1 1 65 65 ILE CG2 C 13 17.042 0.300 . 1 . . . . 65 ILE CG2 . 10107 1 830 . 1 1 65 65 ILE CD1 C 13 13.709 0.300 . 1 . . . . 65 ILE CD1 . 10107 1 831 . 1 1 65 65 ILE N N 15 117.453 0.300 . 1 . . . . 65 ILE N . 10107 1 832 . 1 1 66 66 GLN H H 1 7.513 0.030 . 1 . . . . 66 GLN H . 10107 1 833 . 1 1 66 66 GLN HA H 1 4.042 0.030 . 1 . . . . 66 GLN HA . 10107 1 834 . 1 1 66 66 GLN HB2 H 1 2.312 0.030 . 2 . . . . 66 GLN HB2 . 10107 1 835 . 1 1 66 66 GLN HB3 H 1 2.360 0.030 . 2 . . . . 66 GLN HB3 . 10107 1 836 . 1 1 66 66 GLN HG2 H 1 2.536 0.030 . 2 . . . . 66 GLN HG2 . 10107 1 837 . 1 1 66 66 GLN HG3 H 1 2.621 0.030 . 2 . . . . 66 GLN HG3 . 10107 1 838 . 1 1 66 66 GLN HE21 H 1 7.380 0.030 . 2 . . . . 66 GLN HE21 . 10107 1 839 . 1 1 66 66 GLN HE22 H 1 7.125 0.030 . 2 . . . . 66 GLN HE22 . 10107 1 840 . 1 1 66 66 GLN C C 13 178.372 0.300 . 1 . . . . 66 GLN C . 10107 1 841 . 1 1 66 66 GLN CA C 13 59.408 0.300 . 1 . . . . 66 GLN CA . 10107 1 842 . 1 1 66 66 GLN CB C 13 27.898 0.300 . 1 . . . . 66 GLN CB . 10107 1 843 . 1 1 66 66 GLN CG C 13 33.951 0.300 . 1 . . . . 66 GLN CG . 10107 1 844 . 1 1 66 66 GLN N N 15 118.522 0.300 . 1 . . . . 66 GLN N . 10107 1 845 . 1 1 66 66 GLN NE2 N 15 112.258 0.300 . 1 . . . . 66 GLN NE2 . 10107 1 846 . 1 1 67 67 ASN H H 1 7.987 0.030 . 1 . . . . 67 ASN H . 10107 1 847 . 1 1 67 67 ASN HA H 1 4.451 0.030 . 1 . . . . 67 ASN HA . 10107 1 848 . 1 1 67 67 ASN HB2 H 1 3.598 0.030 . 2 . . . . 67 ASN HB2 . 10107 1 849 . 1 1 67 67 ASN HB3 H 1 2.074 0.030 . 2 . . . . 67 ASN HB3 . 10107 1 850 . 1 1 67 67 ASN HD21 H 1 7.681 0.030 . 2 . . . . 67 ASN HD21 . 10107 1 851 . 1 1 67 67 ASN HD22 H 1 7.154 0.030 . 2 . . . . 67 ASN HD22 . 10107 1 852 . 1 1 67 67 ASN C C 13 177.563 0.300 . 1 . . . . 67 ASN C . 10107 1 853 . 1 1 67 67 ASN CA C 13 55.584 0.300 . 1 . . . . 67 ASN CA . 10107 1 854 . 1 1 67 67 ASN CB C 13 37.086 0.300 . 1 . . . . 67 ASN CB . 10107 1 855 . 1 1 67 67 ASN N N 15 118.891 0.300 . 1 . . . . 67 ASN N . 10107 1 856 . 1 1 67 67 ASN ND2 N 15 105.649 0.300 . 1 . . . . 67 ASN ND2 . 10107 1 857 . 1 1 68 68 PHE H H 1 8.426 0.030 . 1 . . . . 68 PHE H . 10107 1 858 . 1 1 68 68 PHE HA H 1 4.197 0.030 . 1 . . . . 68 PHE HA . 10107 1 859 . 1 1 68 68 PHE HB2 H 1 2.951 0.030 . 1 . . . . 68 PHE HB2 . 10107 1 860 . 1 1 68 68 PHE HB3 H 1 2.951 0.030 . 1 . . . . 68 PHE HB3 . 10107 1 861 . 1 1 68 68 PHE HD1 H 1 7.083 0.030 . 1 . . . . 68 PHE HD1 . 10107 1 862 . 1 1 68 68 PHE HD2 H 1 7.083 0.030 . 1 . . . . 68 PHE HD2 . 10107 1 863 . 1 1 68 68 PHE HE1 H 1 7.220 0.030 . 1 . . . . 68 PHE HE1 . 10107 1 864 . 1 1 68 68 PHE HE2 H 1 7.220 0.030 . 1 . . . . 68 PHE HE2 . 10107 1 865 . 1 1 68 68 PHE HZ H 1 7.149 0.030 . 1 . . . . 68 PHE HZ . 10107 1 866 . 1 1 68 68 PHE C C 13 178.154 0.300 . 1 . . . . 68 PHE C . 10107 1 867 . 1 1 68 68 PHE CA C 13 63.710 0.300 . 1 . . . . 68 PHE CA . 10107 1 868 . 1 1 68 68 PHE CB C 13 40.206 0.300 . 1 . . . . 68 PHE CB . 10107 1 869 . 1 1 68 68 PHE CD1 C 13 131.378 0.300 . 1 . . . . 68 PHE CD1 . 10107 1 870 . 1 1 68 68 PHE CD2 C 13 131.378 0.300 . 1 . . . . 68 PHE CD2 . 10107 1 871 . 1 1 68 68 PHE CE1 C 13 131.666 0.300 . 1 . . . . 68 PHE CE1 . 10107 1 872 . 1 1 68 68 PHE CE2 C 13 131.666 0.300 . 1 . . . . 68 PHE CE2 . 10107 1 873 . 1 1 68 68 PHE CZ C 13 131.058 0.300 . 1 . . . . 68 PHE CZ . 10107 1 874 . 1 1 68 68 PHE N N 15 117.872 0.300 . 1 . . . . 68 PHE N . 10107 1 875 . 1 1 69 69 LYS H H 1 8.764 0.030 . 1 . . . . 69 LYS H . 10107 1 876 . 1 1 69 69 LYS HA H 1 4.205 0.030 . 1 . . . . 69 LYS HA . 10107 1 877 . 1 1 69 69 LYS HB2 H 1 2.104 0.030 . 2 . . . . 69 LYS HB2 . 10107 1 878 . 1 1 69 69 LYS HB3 H 1 1.955 0.030 . 2 . . . . 69 LYS HB3 . 10107 1 879 . 1 1 69 69 LYS HG2 H 1 1.501 0.030 . 2 . . . . 69 LYS HG2 . 10107 1 880 . 1 1 69 69 LYS HG3 H 1 1.753 0.030 . 2 . . . . 69 LYS HG3 . 10107 1 881 . 1 1 69 69 LYS HD2 H 1 1.718 0.030 . 1 . . . . 69 LYS HD2 . 10107 1 882 . 1 1 69 69 LYS HD3 H 1 1.718 0.030 . 1 . . . . 69 LYS HD3 . 10107 1 883 . 1 1 69 69 LYS HE2 H 1 3.014 0.030 . 2 . . . . 69 LYS HE2 . 10107 1 884 . 1 1 69 69 LYS HE3 H 1 3.111 0.030 . 2 . . . . 69 LYS HE3 . 10107 1 885 . 1 1 69 69 LYS C C 13 180.254 0.300 . 1 . . . . 69 LYS C . 10107 1 886 . 1 1 69 69 LYS CA C 13 60.236 0.300 . 1 . . . . 69 LYS CA . 10107 1 887 . 1 1 69 69 LYS CB C 13 32.165 0.300 . 1 . . . . 69 LYS CB . 10107 1 888 . 1 1 69 69 LYS CG C 13 26.018 0.300 . 1 . . . . 69 LYS CG . 10107 1 889 . 1 1 69 69 LYS CD C 13 29.561 0.300 . 1 . . . . 69 LYS CD . 10107 1 890 . 1 1 69 69 LYS CE C 13 42.343 0.300 . 1 . . . . 69 LYS CE . 10107 1 891 . 1 1 69 69 LYS N N 15 122.482 0.300 . 1 . . . . 69 LYS N . 10107 1 892 . 1 1 70 70 ILE H H 1 7.802 0.030 . 1 . . . . 70 ILE H . 10107 1 893 . 1 1 70 70 ILE HA H 1 3.799 0.030 . 1 . . . . 70 ILE HA . 10107 1 894 . 1 1 70 70 ILE HB H 1 2.338 0.030 . 1 . . . . 70 ILE HB . 10107 1 895 . 1 1 70 70 ILE HG12 H 1 1.214 0.030 . 2 . . . . 70 ILE HG12 . 10107 1 896 . 1 1 70 70 ILE HG13 H 1 1.785 0.030 . 2 . . . . 70 ILE HG13 . 10107 1 897 . 1 1 70 70 ILE HG21 H 1 0.952 0.030 . 1 . . . . 70 ILE HG2 . 10107 1 898 . 1 1 70 70 ILE HG22 H 1 0.952 0.030 . 1 . . . . 70 ILE HG2 . 10107 1 899 . 1 1 70 70 ILE HG23 H 1 0.952 0.030 . 1 . . . . 70 ILE HG2 . 10107 1 900 . 1 1 70 70 ILE HD11 H 1 0.853 0.030 . 1 . . . . 70 ILE HD1 . 10107 1 901 . 1 1 70 70 ILE HD12 H 1 0.853 0.030 . 1 . . . . 70 ILE HD1 . 10107 1 902 . 1 1 70 70 ILE HD13 H 1 0.853 0.030 . 1 . . . . 70 ILE HD1 . 10107 1 903 . 1 1 70 70 ILE C C 13 178.902 0.300 . 1 . . . . 70 ILE C . 10107 1 904 . 1 1 70 70 ILE CA C 13 64.989 0.300 . 1 . . . . 70 ILE CA . 10107 1 905 . 1 1 70 70 ILE CB C 13 37.335 0.300 . 1 . . . . 70 ILE CB . 10107 1 906 . 1 1 70 70 ILE CG1 C 13 29.179 0.300 . 1 . . . . 70 ILE CG1 . 10107 1 907 . 1 1 70 70 ILE CG2 C 13 18.402 0.300 . 1 . . . . 70 ILE CG2 . 10107 1 908 . 1 1 70 70 ILE CD1 C 13 14.403 0.300 . 1 . . . . 70 ILE CD1 . 10107 1 909 . 1 1 70 70 ILE N N 15 123.891 0.300 . 1 . . . . 70 ILE N . 10107 1 910 . 1 1 71 71 LEU H H 1 7.820 0.030 . 1 . . . . 71 LEU H . 10107 1 911 . 1 1 71 71 LEU HA H 1 3.991 0.030 . 1 . . . . 71 LEU HA . 10107 1 912 . 1 1 71 71 LEU HB2 H 1 1.558 0.030 . 2 . . . . 71 LEU HB2 . 10107 1 913 . 1 1 71 71 LEU HB3 H 1 2.066 0.030 . 2 . . . . 71 LEU HB3 . 10107 1 914 . 1 1 71 71 LEU HG H 1 1.010 0.030 . 1 . . . . 71 LEU HG . 10107 1 915 . 1 1 71 71 LEU HD11 H 1 1.013 0.030 . 1 . . . . 71 LEU HD1 . 10107 1 916 . 1 1 71 71 LEU HD12 H 1 1.013 0.030 . 1 . . . . 71 LEU HD1 . 10107 1 917 . 1 1 71 71 LEU HD13 H 1 1.013 0.030 . 1 . . . . 71 LEU HD1 . 10107 1 918 . 1 1 71 71 LEU HD21 H 1 1.052 0.030 . 1 . . . . 71 LEU HD2 . 10107 1 919 . 1 1 71 71 LEU HD22 H 1 1.052 0.030 . 1 . . . . 71 LEU HD2 . 10107 1 920 . 1 1 71 71 LEU HD23 H 1 1.052 0.030 . 1 . . . . 71 LEU HD2 . 10107 1 921 . 1 1 71 71 LEU C C 13 177.503 0.300 . 1 . . . . 71 LEU C . 10107 1 922 . 1 1 71 71 LEU CA C 13 58.094 0.300 . 1 . . . . 71 LEU CA . 10107 1 923 . 1 1 71 71 LEU CB C 13 41.510 0.300 . 1 . . . . 71 LEU CB . 10107 1 924 . 1 1 71 71 LEU CG C 13 26.299 0.300 . 1 . . . . 71 LEU CG . 10107 1 925 . 1 1 71 71 LEU CD1 C 13 27.403 0.300 . 2 . . . . 71 LEU CD1 . 10107 1 926 . 1 1 71 71 LEU CD2 C 13 24.284 0.300 . 2 . . . . 71 LEU CD2 . 10107 1 927 . 1 1 71 71 LEU N N 15 123.150 0.300 . 1 . . . . 71 LEU N . 10107 1 928 . 1 1 72 72 GLN H H 1 8.945 0.030 . 1 . . . . 72 GLN H . 10107 1 929 . 1 1 72 72 GLN HA H 1 3.798 0.030 . 1 . . . . 72 GLN HA . 10107 1 930 . 1 1 72 72 GLN HB2 H 1 2.278 0.030 . 1 . . . . 72 GLN HB2 . 10107 1 931 . 1 1 72 72 GLN HB3 H 1 2.278 0.030 . 1 . . . . 72 GLN HB3 . 10107 1 932 . 1 1 72 72 GLN HG2 H 1 2.485 0.030 . 2 . . . . 72 GLN HG2 . 10107 1 933 . 1 1 72 72 GLN HG3 H 1 2.419 0.030 . 2 . . . . 72 GLN HG3 . 10107 1 934 . 1 1 72 72 GLN HE21 H 1 7.154 0.030 . 2 . . . . 72 GLN HE21 . 10107 1 935 . 1 1 72 72 GLN HE22 H 1 7.883 0.030 . 2 . . . . 72 GLN HE22 . 10107 1 936 . 1 1 72 72 GLN C C 13 178.191 0.300 . 1 . . . . 72 GLN C . 10107 1 937 . 1 1 72 72 GLN CA C 13 58.509 0.300 . 1 . . . . 72 GLN CA . 10107 1 938 . 1 1 72 72 GLN CB C 13 29.831 0.300 . 1 . . . . 72 GLN CB . 10107 1 939 . 1 1 72 72 GLN CG C 13 34.635 0.300 . 1 . . . . 72 GLN CG . 10107 1 940 . 1 1 72 72 GLN N N 15 118.116 0.300 . 1 . . . . 72 GLN N . 10107 1 941 . 1 1 72 72 GLN NE2 N 15 115.154 0.300 . 1 . . . . 72 GLN NE2 . 10107 1 942 . 1 1 73 73 ALA H H 1 7.966 0.030 . 1 . . . . 73 ALA H . 10107 1 943 . 1 1 73 73 ALA HA H 1 4.367 0.030 . 1 . . . . 73 ALA HA . 10107 1 944 . 1 1 73 73 ALA HB1 H 1 1.649 0.030 . 1 . . . . 73 ALA HB . 10107 1 945 . 1 1 73 73 ALA HB2 H 1 1.649 0.030 . 1 . . . . 73 ALA HB . 10107 1 946 . 1 1 73 73 ALA HB3 H 1 1.649 0.030 . 1 . . . . 73 ALA HB . 10107 1 947 . 1 1 73 73 ALA C C 13 180.664 0.300 . 1 . . . . 73 ALA C . 10107 1 948 . 1 1 73 73 ALA CA C 13 55.032 0.300 . 1 . . . . 73 ALA CA . 10107 1 949 . 1 1 73 73 ALA CB C 13 17.946 0.300 . 1 . . . . 73 ALA CB . 10107 1 950 . 1 1 73 73 ALA N N 15 121.835 0.300 . 1 . . . . 73 ALA N . 10107 1 951 . 1 1 74 74 GLY H H 1 8.194 0.030 . 1 . . . . 74 GLY H . 10107 1 952 . 1 1 74 74 GLY HA2 H 1 3.690 0.030 . 2 . . . . 74 GLY HA2 . 10107 1 953 . 1 1 74 74 GLY HA3 H 1 4.206 0.030 . 2 . . . . 74 GLY HA3 . 10107 1 954 . 1 1 74 74 GLY C C 13 175.270 0.300 . 1 . . . . 74 GLY C . 10107 1 955 . 1 1 74 74 GLY CA C 13 47.846 0.300 . 1 . . . . 74 GLY CA . 10107 1 956 . 1 1 74 74 GLY N N 15 109.283 0.300 . 1 . . . . 74 GLY N . 10107 1 957 . 1 1 75 75 PHE H H 1 8.969 0.030 . 1 . . . . 75 PHE H . 10107 1 958 . 1 1 75 75 PHE HA H 1 4.394 0.030 . 1 . . . . 75 PHE HA . 10107 1 959 . 1 1 75 75 PHE HB2 H 1 3.794 0.030 . 2 . . . . 75 PHE HB2 . 10107 1 960 . 1 1 75 75 PHE HB3 H 1 3.589 0.030 . 2 . . . . 75 PHE HB3 . 10107 1 961 . 1 1 75 75 PHE HD1 H 1 7.340 0.030 . 1 . . . . 75 PHE HD1 . 10107 1 962 . 1 1 75 75 PHE HD2 H 1 7.340 0.030 . 1 . . . . 75 PHE HD2 . 10107 1 963 . 1 1 75 75 PHE HE1 H 1 7.455 0.030 . 1 . . . . 75 PHE HE1 . 10107 1 964 . 1 1 75 75 PHE HE2 H 1 7.455 0.030 . 1 . . . . 75 PHE HE2 . 10107 1 965 . 1 1 75 75 PHE HZ H 1 7.558 0.030 . 1 . . . . 75 PHE HZ . 10107 1 966 . 1 1 75 75 PHE C C 13 177.950 0.300 . 1 . . . . 75 PHE C . 10107 1 967 . 1 1 75 75 PHE CA C 13 59.174 0.300 . 1 . . . . 75 PHE CA . 10107 1 968 . 1 1 75 75 PHE CB C 13 36.523 0.300 . 1 . . . . 75 PHE CB . 10107 1 969 . 1 1 75 75 PHE CD1 C 13 129.562 0.300 . 1 . . . . 75 PHE CD1 . 10107 1 970 . 1 1 75 75 PHE CD2 C 13 129.562 0.300 . 1 . . . . 75 PHE CD2 . 10107 1 971 . 1 1 75 75 PHE CE1 C 13 131.501 0.300 . 1 . . . . 75 PHE CE1 . 10107 1 972 . 1 1 75 75 PHE CE2 C 13 131.501 0.300 . 1 . . . . 75 PHE CE2 . 10107 1 973 . 1 1 75 75 PHE CZ C 13 127.419 0.300 . 1 . . . . 75 PHE CZ . 10107 1 974 . 1 1 75 75 PHE N N 15 122.395 0.300 . 1 . . . . 75 PHE N . 10107 1 975 . 1 1 76 76 LYS H H 1 8.349 0.030 . 1 . . . . 76 LYS H . 10107 1 976 . 1 1 76 76 LYS HA H 1 4.186 0.030 . 1 . . . . 76 LYS HA . 10107 1 977 . 1 1 76 76 LYS HB2 H 1 2.089 0.030 . 1 . . . . 76 LYS HB2 . 10107 1 978 . 1 1 76 76 LYS HB3 H 1 2.089 0.030 . 1 . . . . 76 LYS HB3 . 10107 1 979 . 1 1 76 76 LYS HG2 H 1 1.574 0.030 . 2 . . . . 76 LYS HG2 . 10107 1 980 . 1 1 76 76 LYS HG3 H 1 1.639 0.030 . 2 . . . . 76 LYS HG3 . 10107 1 981 . 1 1 76 76 LYS C C 13 180.073 0.300 . 1 . . . . 76 LYS C . 10107 1 982 . 1 1 76 76 LYS CA C 13 59.504 0.300 . 1 . . . . 76 LYS CA . 10107 1 983 . 1 1 76 76 LYS CB C 13 32.160 0.300 . 1 . . . . 76 LYS CB . 10107 1 984 . 1 1 76 76 LYS CG C 13 25.184 0.300 . 1 . . . . 76 LYS CG . 10107 1 985 . 1 1 76 76 LYS CD C 13 28.704 0.300 . 1 . . . . 76 LYS CD . 10107 1 986 . 1 1 76 76 LYS CE C 13 41.891 0.300 . 1 . . . . 76 LYS CE . 10107 1 987 . 1 1 76 76 LYS N N 15 119.641 0.300 . 1 . . . . 76 LYS N . 10107 1 988 . 1 1 77 77 ARG H H 1 8.237 0.030 . 1 . . . . 77 ARG H . 10107 1 989 . 1 1 77 77 ARG HA H 1 4.136 0.030 . 1 . . . . 77 ARG HA . 10107 1 990 . 1 1 77 77 ARG HB2 H 1 2.080 0.030 . 2 . . . . 77 ARG HB2 . 10107 1 991 . 1 1 77 77 ARG HB3 H 1 2.118 0.030 . 2 . . . . 77 ARG HB3 . 10107 1 992 . 1 1 77 77 ARG HG2 H 1 1.857 0.030 . 2 . . . . 77 ARG HG2 . 10107 1 993 . 1 1 77 77 ARG HG3 H 1 1.778 0.030 . 2 . . . . 77 ARG HG3 . 10107 1 994 . 1 1 77 77 ARG HD2 H 1 3.302 0.030 . 2 . . . . 77 ARG HD2 . 10107 1 995 . 1 1 77 77 ARG HD3 H 1 3.350 0.030 . 2 . . . . 77 ARG HD3 . 10107 1 996 . 1 1 77 77 ARG C C 13 177.599 0.300 . 1 . . . . 77 ARG C . 10107 1 997 . 1 1 77 77 ARG CA C 13 59.191 0.300 . 1 . . . . 77 ARG CA . 10107 1 998 . 1 1 77 77 ARG CB C 13 30.269 0.300 . 1 . . . . 77 ARG CB . 10107 1 999 . 1 1 77 77 ARG CG C 13 27.668 0.300 . 1 . . . . 77 ARG CG . 10107 1 1000 . 1 1 77 77 ARG CD C 13 43.542 0.300 . 1 . . . . 77 ARG CD . 10107 1 1001 . 1 1 77 77 ARG N N 15 120.189 0.300 . 1 . . . . 77 ARG N . 10107 1 1002 . 1 1 78 78 MET H H 1 7.673 0.030 . 1 . . . . 78 MET H . 10107 1 1003 . 1 1 78 78 MET HA H 1 4.693 0.030 . 1 . . . . 78 MET HA . 10107 1 1004 . 1 1 78 78 MET HB2 H 1 1.822 0.030 . 2 . . . . 78 MET HB2 . 10107 1 1005 . 1 1 78 78 MET HB3 H 1 1.951 0.030 . 2 . . . . 78 MET HB3 . 10107 1 1006 . 1 1 78 78 MET HG2 H 1 2.491 0.030 . 2 . . . . 78 MET HG2 . 10107 1 1007 . 1 1 78 78 MET HG3 H 1 2.275 0.030 . 2 . . . . 78 MET HG3 . 10107 1 1008 . 1 1 78 78 MET HE1 H 1 1.725 0.030 . 1 . . . . 78 MET HE . 10107 1 1009 . 1 1 78 78 MET HE2 H 1 1.725 0.030 . 1 . . . . 78 MET HE . 10107 1 1010 . 1 1 78 78 MET HE3 H 1 1.725 0.030 . 1 . . . . 78 MET HE . 10107 1 1011 . 1 1 78 78 MET C C 13 176.019 0.300 . 1 . . . . 78 MET C . 10107 1 1012 . 1 1 78 78 MET CA C 13 53.639 0.300 . 1 . . . . 78 MET CA . 10107 1 1013 . 1 1 78 78 MET CB C 13 31.197 0.300 . 1 . . . . 78 MET CB . 10107 1 1014 . 1 1 78 78 MET CG C 13 31.543 0.300 . 1 . . . . 78 MET CG . 10107 1 1015 . 1 1 78 78 MET CE C 13 15.848 0.300 . 1 . . . . 78 MET CE . 10107 1 1016 . 1 1 78 78 MET N N 15 113.507 0.300 . 1 . . . . 78 MET N . 10107 1 1017 . 1 1 79 79 GLY H H 1 7.817 0.030 . 1 . . . . 79 GLY H . 10107 1 1018 . 1 1 79 79 GLY HA2 H 1 3.852 0.030 . 2 . . . . 79 GLY HA2 . 10107 1 1019 . 1 1 79 79 GLY HA3 H 1 4.046 0.030 . 2 . . . . 79 GLY HA3 . 10107 1 1020 . 1 1 79 79 GLY C C 13 174.112 0.300 . 1 . . . . 79 GLY C . 10107 1 1021 . 1 1 79 79 GLY CA C 13 46.561 0.300 . 1 . . . . 79 GLY CA . 10107 1 1022 . 1 1 79 79 GLY N N 15 109.077 0.300 . 1 . . . . 79 GLY N . 10107 1 1023 . 1 1 80 80 VAL H H 1 8.400 0.030 . 1 . . . . 80 VAL H . 10107 1 1024 . 1 1 80 80 VAL HA H 1 3.793 0.030 . 1 . . . . 80 VAL HA . 10107 1 1025 . 1 1 80 80 VAL HB H 1 1.715 0.030 . 1 . . . . 80 VAL HB . 10107 1 1026 . 1 1 80 80 VAL HG11 H 1 0.139 0.030 . 1 . . . . 80 VAL HG1 . 10107 1 1027 . 1 1 80 80 VAL HG12 H 1 0.139 0.030 . 1 . . . . 80 VAL HG1 . 10107 1 1028 . 1 1 80 80 VAL HG13 H 1 0.139 0.030 . 1 . . . . 80 VAL HG1 . 10107 1 1029 . 1 1 80 80 VAL HG21 H 1 0.825 0.030 . 1 . . . . 80 VAL HG2 . 10107 1 1030 . 1 1 80 80 VAL HG22 H 1 0.825 0.030 . 1 . . . . 80 VAL HG2 . 10107 1 1031 . 1 1 80 80 VAL HG23 H 1 0.825 0.030 . 1 . . . . 80 VAL HG2 . 10107 1 1032 . 1 1 80 80 VAL C C 13 175.500 0.300 . 1 . . . . 80 VAL C . 10107 1 1033 . 1 1 80 80 VAL CA C 13 62.271 0.300 . 1 . . . . 80 VAL CA . 10107 1 1034 . 1 1 80 80 VAL CB C 13 31.923 0.300 . 1 . . . . 80 VAL CB . 10107 1 1035 . 1 1 80 80 VAL CG1 C 13 20.371 0.300 . 2 . . . . 80 VAL CG1 . 10107 1 1036 . 1 1 80 80 VAL CG2 C 13 20.938 0.300 . 2 . . . . 80 VAL CG2 . 10107 1 1037 . 1 1 80 80 VAL N N 15 122.026 0.300 . 1 . . . . 80 VAL N . 10107 1 1038 . 1 1 81 81 ASP H H 1 8.689 0.030 . 1 . . . . 81 ASP H . 10107 1 1039 . 1 1 81 81 ASP HA H 1 4.508 0.030 . 1 . . . . 81 ASP HA . 10107 1 1040 . 1 1 81 81 ASP HB2 H 1 2.736 0.030 . 2 . . . . 81 ASP HB2 . 10107 1 1041 . 1 1 81 81 ASP HB3 H 1 2.584 0.030 . 2 . . . . 81 ASP HB3 . 10107 1 1042 . 1 1 81 81 ASP C C 13 174.450 0.300 . 1 . . . . 81 ASP C . 10107 1 1043 . 1 1 81 81 ASP CA C 13 53.745 0.300 . 1 . . . . 81 ASP CA . 10107 1 1044 . 1 1 81 81 ASP CB C 13 39.934 0.300 . 1 . . . . 81 ASP CB . 10107 1 1045 . 1 1 81 81 ASP N N 15 129.190 0.300 . 1 . . . . 81 ASP N . 10107 1 1046 . 1 1 82 82 LYS H H 1 7.065 0.030 . 1 . . . . 82 LYS H . 10107 1 1047 . 1 1 82 82 LYS HA H 1 4.002 0.030 . 1 . . . . 82 LYS HA . 10107 1 1048 . 1 1 82 82 LYS HB2 H 1 1.145 0.030 . 2 . . . . 82 LYS HB2 . 10107 1 1049 . 1 1 82 82 LYS HB3 H 1 1.253 0.030 . 2 . . . . 82 LYS HB3 . 10107 1 1050 . 1 1 82 82 LYS HG2 H 1 -0.359 0.030 . 2 . . . . 82 LYS HG2 . 10107 1 1051 . 1 1 82 82 LYS HG3 H 1 0.420 0.030 . 2 . . . . 82 LYS HG3 . 10107 1 1052 . 1 1 82 82 LYS HD2 H 1 1.187 0.030 . 2 . . . . 82 LYS HD2 . 10107 1 1053 . 1 1 82 82 LYS HD3 H 1 0.312 0.030 . 2 . . . . 82 LYS HD3 . 10107 1 1054 . 1 1 82 82 LYS HE2 H 1 1.403 0.030 . 2 . . . . 82 LYS HE2 . 10107 1 1055 . 1 1 82 82 LYS HE3 H 1 1.958 0.030 . 2 . . . . 82 LYS HE3 . 10107 1 1056 . 1 1 82 82 LYS C C 13 174.368 0.300 . 1 . . . . 82 LYS C . 10107 1 1057 . 1 1 82 82 LYS CA C 13 54.917 0.300 . 1 . . . . 82 LYS CA . 10107 1 1058 . 1 1 82 82 LYS CB C 13 34.933 0.300 . 1 . . . . 82 LYS CB . 10107 1 1059 . 1 1 82 82 LYS CG C 13 23.073 0.300 . 1 . . . . 82 LYS CG . 10107 1 1060 . 1 1 82 82 LYS CD C 13 28.186 0.300 . 1 . . . . 82 LYS CD . 10107 1 1061 . 1 1 82 82 LYS CE C 13 41.824 0.300 . 1 . . . . 82 LYS CE . 10107 1 1062 . 1 1 82 82 LYS N N 15 122.996 0.300 . 1 . . . . 82 LYS N . 10107 1 1063 . 1 1 83 83 ILE H H 1 8.580 0.030 . 1 . . . . 83 ILE H . 10107 1 1064 . 1 1 83 83 ILE HA H 1 4.190 0.030 . 1 . . . . 83 ILE HA . 10107 1 1065 . 1 1 83 83 ILE HB H 1 1.769 0.030 . 1 . . . . 83 ILE HB . 10107 1 1066 . 1 1 83 83 ILE HG12 H 1 1.235 0.030 . 2 . . . . 83 ILE HG12 . 10107 1 1067 . 1 1 83 83 ILE HG13 H 1 1.515 0.030 . 2 . . . . 83 ILE HG13 . 10107 1 1068 . 1 1 83 83 ILE HG21 H 1 0.729 0.030 . 1 . . . . 83 ILE HG2 . 10107 1 1069 . 1 1 83 83 ILE HG22 H 1 0.729 0.030 . 1 . . . . 83 ILE HG2 . 10107 1 1070 . 1 1 83 83 ILE HG23 H 1 0.729 0.030 . 1 . . . . 83 ILE HG2 . 10107 1 1071 . 1 1 83 83 ILE HD11 H 1 0.791 0.030 . 1 . . . . 83 ILE HD1 . 10107 1 1072 . 1 1 83 83 ILE HD12 H 1 0.791 0.030 . 1 . . . . 83 ILE HD1 . 10107 1 1073 . 1 1 83 83 ILE HD13 H 1 0.791 0.030 . 1 . . . . 83 ILE HD1 . 10107 1 1074 . 1 1 83 83 ILE C C 13 175.741 0.300 . 1 . . . . 83 ILE C . 10107 1 1075 . 1 1 83 83 ILE CA C 13 59.440 0.300 . 1 . . . . 83 ILE CA . 10107 1 1076 . 1 1 83 83 ILE CB C 13 36.786 0.300 . 1 . . . . 83 ILE CB . 10107 1 1077 . 1 1 83 83 ILE CG1 C 13 26.931 0.300 . 1 . . . . 83 ILE CG1 . 10107 1 1078 . 1 1 83 83 ILE CG2 C 13 17.141 0.300 . 1 . . . . 83 ILE CG2 . 10107 1 1079 . 1 1 83 83 ILE CD1 C 13 11.374 0.300 . 1 . . . . 83 ILE CD1 . 10107 1 1080 . 1 1 83 83 ILE N N 15 129.097 0.300 . 1 . . . . 83 ILE N . 10107 1 1081 . 1 1 84 84 ILE H H 1 9.047 0.030 . 1 . . . . 84 ILE H . 10107 1 1082 . 1 1 84 84 ILE HA H 1 3.711 0.030 . 1 . . . . 84 ILE HA . 10107 1 1083 . 1 1 84 84 ILE HB H 1 1.520 0.030 . 1 . . . . 84 ILE HB . 10107 1 1084 . 1 1 84 84 ILE HG12 H 1 0.758 0.030 . 2 . . . . 84 ILE HG12 . 10107 1 1085 . 1 1 84 84 ILE HG13 H 1 1.684 0.030 . 2 . . . . 84 ILE HG13 . 10107 1 1086 . 1 1 84 84 ILE HG21 H 1 0.052 0.030 . 1 . . . . 84 ILE HG2 . 10107 1 1087 . 1 1 84 84 ILE HG22 H 1 0.052 0.030 . 1 . . . . 84 ILE HG2 . 10107 1 1088 . 1 1 84 84 ILE HG23 H 1 0.052 0.030 . 1 . . . . 84 ILE HG2 . 10107 1 1089 . 1 1 84 84 ILE HD11 H 1 0.492 0.030 . 1 . . . . 84 ILE HD1 . 10107 1 1090 . 1 1 84 84 ILE HD12 H 1 0.492 0.030 . 1 . . . . 84 ILE HD1 . 10107 1 1091 . 1 1 84 84 ILE HD13 H 1 0.492 0.030 . 1 . . . . 84 ILE HD1 . 10107 1 1092 . 1 1 84 84 ILE C C 13 175.433 0.300 . 1 . . . . 84 ILE C . 10107 1 1093 . 1 1 84 84 ILE CA C 13 59.571 0.300 . 1 . . . . 84 ILE CA . 10107 1 1094 . 1 1 84 84 ILE CB C 13 39.076 0.300 . 1 . . . . 84 ILE CB . 10107 1 1095 . 1 1 84 84 ILE CG1 C 13 28.099 0.300 . 1 . . . . 84 ILE CG1 . 10107 1 1096 . 1 1 84 84 ILE CG2 C 13 17.262 0.300 . 1 . . . . 84 ILE CG2 . 10107 1 1097 . 1 1 84 84 ILE CD1 C 13 14.003 0.300 . 1 . . . . 84 ILE CD1 . 10107 1 1098 . 1 1 84 84 ILE N N 15 130.713 0.300 . 1 . . . . 84 ILE N . 10107 1 1099 . 1 1 85 85 PRO HA H 1 4.864 0.030 . 1 . . . . 85 PRO HA . 10107 1 1100 . 1 1 85 85 PRO HB2 H 1 2.129 0.030 . 2 . . . . 85 PRO HB2 . 10107 1 1101 . 1 1 85 85 PRO HB3 H 1 1.810 0.030 . 2 . . . . 85 PRO HB3 . 10107 1 1102 . 1 1 85 85 PRO HG2 H 1 1.654 0.030 . 2 . . . . 85 PRO HG2 . 10107 1 1103 . 1 1 85 85 PRO HG3 H 1 2.152 0.030 . 2 . . . . 85 PRO HG3 . 10107 1 1104 . 1 1 85 85 PRO HD2 H 1 3.054 0.030 . 2 . . . . 85 PRO HD2 . 10107 1 1105 . 1 1 85 85 PRO HD3 H 1 3.701 0.030 . 2 . . . . 85 PRO HD3 . 10107 1 1106 . 1 1 85 85 PRO C C 13 175.036 0.300 . 1 . . . . 85 PRO C . 10107 1 1107 . 1 1 85 85 PRO CA C 13 61.452 0.300 . 1 . . . . 85 PRO CA . 10107 1 1108 . 1 1 85 85 PRO CB C 13 27.516 0.300 . 1 . . . . 85 PRO CB . 10107 1 1109 . 1 1 85 85 PRO CG C 13 26.960 0.300 . 1 . . . . 85 PRO CG . 10107 1 1110 . 1 1 85 85 PRO CD C 13 50.372 0.300 . 1 . . . . 85 PRO CD . 10107 1 1111 . 1 1 86 86 VAL H H 1 8.163 0.030 . 1 . . . . 86 VAL H . 10107 1 1112 . 1 1 86 86 VAL HA H 1 2.496 0.030 . 1 . . . . 86 VAL HA . 10107 1 1113 . 1 1 86 86 VAL HB H 1 1.866 0.030 . 1 . . . . 86 VAL HB . 10107 1 1114 . 1 1 86 86 VAL HG11 H 1 0.882 0.030 . 1 . . . . 86 VAL HG1 . 10107 1 1115 . 1 1 86 86 VAL HG12 H 1 0.882 0.030 . 1 . . . . 86 VAL HG1 . 10107 1 1116 . 1 1 86 86 VAL HG13 H 1 0.882 0.030 . 1 . . . . 86 VAL HG1 . 10107 1 1117 . 1 1 86 86 VAL HG21 H 1 0.833 0.030 . 1 . . . . 86 VAL HG2 . 10107 1 1118 . 1 1 86 86 VAL HG22 H 1 0.833 0.030 . 1 . . . . 86 VAL HG2 . 10107 1 1119 . 1 1 86 86 VAL HG23 H 1 0.833 0.030 . 1 . . . . 86 VAL HG2 . 10107 1 1120 . 1 1 86 86 VAL C C 13 174.957 0.300 . 1 . . . . 86 VAL C . 10107 1 1121 . 1 1 86 86 VAL CA C 13 67.546 0.300 . 1 . . . . 86 VAL CA . 10107 1 1122 . 1 1 86 86 VAL CB C 13 32.626 0.300 . 1 . . . . 86 VAL CB . 10107 1 1123 . 1 1 86 86 VAL CG1 C 13 21.920 0.300 . 2 . . . . 86 VAL CG1 . 10107 1 1124 . 1 1 86 86 VAL CG2 C 13 22.810 0.300 . 2 . . . . 86 VAL CG2 . 10107 1 1125 . 1 1 86 86 VAL N N 15 124.880 0.300 . 1 . . . . 86 VAL N . 10107 1 1126 . 1 1 87 87 ASP H H 1 8.239 0.030 . 1 . . . . 87 ASP H . 10107 1 1127 . 1 1 87 87 ASP HA H 1 4.128 0.030 . 1 . . . . 87 ASP HA . 10107 1 1128 . 1 1 87 87 ASP HB2 H 1 2.484 0.030 . 2 . . . . 87 ASP HB2 . 10107 1 1129 . 1 1 87 87 ASP HB3 H 1 2.580 0.030 . 2 . . . . 87 ASP HB3 . 10107 1 1130 . 1 1 87 87 ASP C C 13 177.238 0.300 . 1 . . . . 87 ASP C . 10107 1 1131 . 1 1 87 87 ASP CA C 13 56.882 0.300 . 1 . . . . 87 ASP CA . 10107 1 1132 . 1 1 87 87 ASP CB C 13 40.025 0.300 . 1 . . . . 87 ASP CB . 10107 1 1133 . 1 1 87 87 ASP N N 15 114.083 0.300 . 1 . . . . 87 ASP N . 10107 1 1134 . 1 1 88 88 LYS H H 1 7.148 0.030 . 1 . . . . 88 LYS H . 10107 1 1135 . 1 1 88 88 LYS HA H 1 4.186 0.030 . 1 . . . . 88 LYS HA . 10107 1 1136 . 1 1 88 88 LYS HB2 H 1 1.761 0.030 . 1 . . . . 88 LYS HB2 . 10107 1 1137 . 1 1 88 88 LYS HB3 H 1 1.761 0.030 . 1 . . . . 88 LYS HB3 . 10107 1 1138 . 1 1 88 88 LYS HG2 H 1 1.330 0.030 . 2 . . . . 88 LYS HG2 . 10107 1 1139 . 1 1 88 88 LYS HG3 H 1 1.481 0.030 . 2 . . . . 88 LYS HG3 . 10107 1 1140 . 1 1 88 88 LYS HD2 H 1 1.579 0.030 . 2 . . . . 88 LYS HD2 . 10107 1 1141 . 1 1 88 88 LYS HD3 H 1 1.651 0.030 . 2 . . . . 88 LYS HD3 . 10107 1 1142 . 1 1 88 88 LYS HE2 H 1 2.963 0.030 . 1 . . . . 88 LYS HE2 . 10107 1 1143 . 1 1 88 88 LYS HE3 H 1 2.963 0.030 . 1 . . . . 88 LYS HE3 . 10107 1 1144 . 1 1 88 88 LYS C C 13 178.999 0.300 . 1 . . . . 88 LYS C . 10107 1 1145 . 1 1 88 88 LYS CA C 13 57.799 0.300 . 1 . . . . 88 LYS CA . 10107 1 1146 . 1 1 88 88 LYS CB C 13 32.992 0.300 . 1 . . . . 88 LYS CB . 10107 1 1147 . 1 1 88 88 LYS CG C 13 25.192 0.300 . 1 . . . . 88 LYS CG . 10107 1 1148 . 1 1 88 88 LYS CD C 13 28.733 0.300 . 1 . . . . 88 LYS CD . 10107 1 1149 . 1 1 88 88 LYS CE C 13 42.101 0.300 . 1 . . . . 88 LYS CE . 10107 1 1150 . 1 1 88 88 LYS N N 15 114.864 0.300 . 1 . . . . 88 LYS N . 10107 1 1151 . 1 1 89 89 LEU H H 1 7.824 0.030 . 1 . . . . 89 LEU H . 10107 1 1152 . 1 1 89 89 LEU HA H 1 3.818 0.030 . 1 . . . . 89 LEU HA . 10107 1 1153 . 1 1 89 89 LEU HB2 H 1 1.057 0.030 . 2 . . . . 89 LEU HB2 . 10107 1 1154 . 1 1 89 89 LEU HB3 H 1 1.181 0.030 . 2 . . . . 89 LEU HB3 . 10107 1 1155 . 1 1 89 89 LEU HG H 1 1.270 0.030 . 1 . . . . 89 LEU HG . 10107 1 1156 . 1 1 89 89 LEU HD11 H 1 -0.400 0.030 . 1 . . . . 89 LEU HD1 . 10107 1 1157 . 1 1 89 89 LEU HD12 H 1 -0.400 0.030 . 1 . . . . 89 LEU HD1 . 10107 1 1158 . 1 1 89 89 LEU HD13 H 1 -0.400 0.030 . 1 . . . . 89 LEU HD1 . 10107 1 1159 . 1 1 89 89 LEU HD21 H 1 0.466 0.030 . 1 . . . . 89 LEU HD2 . 10107 1 1160 . 1 1 89 89 LEU HD22 H 1 0.466 0.030 . 1 . . . . 89 LEU HD2 . 10107 1 1161 . 1 1 89 89 LEU HD23 H 1 0.466 0.030 . 1 . . . . 89 LEU HD2 . 10107 1 1162 . 1 1 89 89 LEU C C 13 180.809 0.300 . 1 . . . . 89 LEU C . 10107 1 1163 . 1 1 89 89 LEU CA C 13 58.239 0.300 . 1 . . . . 89 LEU CA . 10107 1 1164 . 1 1 89 89 LEU CB C 13 41.409 0.300 . 1 . . . . 89 LEU CB . 10107 1 1165 . 1 1 89 89 LEU CG C 13 25.989 0.300 . 1 . . . . 89 LEU CG . 10107 1 1166 . 1 1 89 89 LEU CD1 C 13 26.112 0.300 . 2 . . . . 89 LEU CD1 . 10107 1 1167 . 1 1 89 89 LEU CD2 C 13 22.075 0.300 . 2 . . . . 89 LEU CD2 . 10107 1 1168 . 1 1 89 89 LEU N N 15 118.776 0.300 . 1 . . . . 89 LEU N . 10107 1 1169 . 1 1 90 90 VAL H H 1 7.847 0.030 . 1 . . . . 90 VAL H . 10107 1 1170 . 1 1 90 90 VAL HA H 1 4.358 0.030 . 1 . . . . 90 VAL HA . 10107 1 1171 . 1 1 90 90 VAL HB H 1 2.795 0.030 . 1 . . . . 90 VAL HB . 10107 1 1172 . 1 1 90 90 VAL HG11 H 1 1.333 0.030 . 1 . . . . 90 VAL HG1 . 10107 1 1173 . 1 1 90 90 VAL HG12 H 1 1.333 0.030 . 1 . . . . 90 VAL HG1 . 10107 1 1174 . 1 1 90 90 VAL HG13 H 1 1.333 0.030 . 1 . . . . 90 VAL HG1 . 10107 1 1175 . 1 1 90 90 VAL HG21 H 1 1.035 0.030 . 1 . . . . 90 VAL HG2 . 10107 1 1176 . 1 1 90 90 VAL HG22 H 1 1.035 0.030 . 1 . . . . 90 VAL HG2 . 10107 1 1177 . 1 1 90 90 VAL HG23 H 1 1.035 0.030 . 1 . . . . 90 VAL HG2 . 10107 1 1178 . 1 1 90 90 VAL C C 13 175.114 0.300 . 1 . . . . 90 VAL C . 10107 1 1179 . 1 1 90 90 VAL CA C 13 64.458 0.300 . 1 . . . . 90 VAL CA . 10107 1 1180 . 1 1 90 90 VAL CB C 13 31.914 0.300 . 1 . . . . 90 VAL CB . 10107 1 1181 . 1 1 90 90 VAL CG1 C 13 22.221 0.300 . 2 . . . . 90 VAL CG1 . 10107 1 1182 . 1 1 90 90 VAL CG2 C 13 17.412 0.300 . 2 . . . . 90 VAL CG2 . 10107 1 1183 . 1 1 90 90 VAL N N 15 108.352 0.300 . 1 . . . . 90 VAL N . 10107 1 1184 . 1 1 91 91 LYS H H 1 7.023 0.030 . 1 . . . . 91 LYS H . 10107 1 1185 . 1 1 91 91 LYS HA H 1 4.378 0.030 . 1 . . . . 91 LYS HA . 10107 1 1186 . 1 1 91 91 LYS HB2 H 1 2.030 0.030 . 2 . . . . 91 LYS HB2 . 10107 1 1187 . 1 1 91 91 LYS HB3 H 1 2.094 0.030 . 2 . . . . 91 LYS HB3 . 10107 1 1188 . 1 1 91 91 LYS HG2 H 1 1.687 0.030 . 1 . . . . 91 LYS HG2 . 10107 1 1189 . 1 1 91 91 LYS HG3 H 1 1.687 0.030 . 1 . . . . 91 LYS HG3 . 10107 1 1190 . 1 1 91 91 LYS HE2 H 1 3.081 0.030 . 1 . . . . 91 LYS HE2 . 10107 1 1191 . 1 1 91 91 LYS HE3 H 1 3.081 0.030 . 1 . . . . 91 LYS HE3 . 10107 1 1192 . 1 1 91 91 LYS C C 13 178.263 0.300 . 1 . . . . 91 LYS C . 10107 1 1193 . 1 1 91 91 LYS CA C 13 55.772 0.300 . 1 . . . . 91 LYS CA . 10107 1 1194 . 1 1 91 91 LYS CB C 13 31.761 0.300 . 1 . . . . 91 LYS CB . 10107 1 1195 . 1 1 91 91 LYS CG C 13 24.710 0.300 . 1 . . . . 91 LYS CG . 10107 1 1196 . 1 1 91 91 LYS CD C 13 27.798 0.300 . 1 . . . . 91 LYS CD . 10107 1 1197 . 1 1 91 91 LYS CE C 13 42.379 0.300 . 1 . . . . 91 LYS CE . 10107 1 1198 . 1 1 91 91 LYS N N 15 116.166 0.300 . 1 . . . . 91 LYS N . 10107 1 1199 . 1 1 92 92 GLY H H 1 8.044 0.030 . 1 . . . . 92 GLY H . 10107 1 1200 . 1 1 92 92 GLY HA2 H 1 3.734 0.030 . 2 . . . . 92 GLY HA2 . 10107 1 1201 . 1 1 92 92 GLY HA3 H 1 4.144 0.030 . 2 . . . . 92 GLY HA3 . 10107 1 1202 . 1 1 92 92 GLY C C 13 173.365 0.300 . 1 . . . . 92 GLY C . 10107 1 1203 . 1 1 92 92 GLY CA C 13 47.075 0.300 . 1 . . . . 92 GLY CA . 10107 1 1204 . 1 1 92 92 GLY N N 15 103.828 0.300 . 1 . . . . 92 GLY N . 10107 1 1205 . 1 1 93 93 LYS H H 1 8.753 0.030 . 1 . . . . 93 LYS H . 10107 1 1206 . 1 1 93 93 LYS HA H 1 4.735 0.030 . 1 . . . . 93 LYS HA . 10107 1 1207 . 1 1 93 93 LYS HB2 H 1 2.066 0.030 . 2 . . . . 93 LYS HB2 . 10107 1 1208 . 1 1 93 93 LYS HB3 H 1 2.111 0.030 . 2 . . . . 93 LYS HB3 . 10107 1 1209 . 1 1 93 93 LYS HG2 H 1 1.579 0.030 . 2 . . . . 93 LYS HG2 . 10107 1 1210 . 1 1 93 93 LYS HG3 H 1 1.498 0.030 . 2 . . . . 93 LYS HG3 . 10107 1 1211 . 1 1 93 93 LYS C C 13 178.835 0.300 . 1 . . . . 93 LYS C . 10107 1 1212 . 1 1 93 93 LYS CA C 13 54.909 0.300 . 1 . . . . 93 LYS CA . 10107 1 1213 . 1 1 93 93 LYS CB C 13 32.583 0.300 . 1 . . . . 93 LYS CB . 10107 1 1214 . 1 1 93 93 LYS CG C 13 25.183 0.300 . 1 . . . . 93 LYS CG . 10107 1 1215 . 1 1 93 93 LYS CD C 13 28.210 0.300 . 1 . . . . 93 LYS CD . 10107 1 1216 . 1 1 93 93 LYS CE C 13 42.056 0.300 . 1 . . . . 93 LYS CE . 10107 1 1217 . 1 1 93 93 LYS N N 15 117.105 0.300 . 1 . . . . 93 LYS N . 10107 1 1218 . 1 1 94 94 PHE H H 1 9.269 0.030 . 1 . . . . 94 PHE H . 10107 1 1219 . 1 1 94 94 PHE HA H 1 3.842 0.030 . 1 . . . . 94 PHE HA . 10107 1 1220 . 1 1 94 94 PHE HB2 H 1 3.463 0.030 . 2 . . . . 94 PHE HB2 . 10107 1 1221 . 1 1 94 94 PHE HB3 H 1 3.065 0.030 . 2 . . . . 94 PHE HB3 . 10107 1 1222 . 1 1 94 94 PHE HD1 H 1 7.214 0.030 . 1 . . . . 94 PHE HD1 . 10107 1 1223 . 1 1 94 94 PHE HD2 H 1 7.214 0.030 . 1 . . . . 94 PHE HD2 . 10107 1 1224 . 1 1 94 94 PHE C C 13 176.791 0.300 . 1 . . . . 94 PHE C . 10107 1 1225 . 1 1 94 94 PHE CA C 13 63.898 0.300 . 1 . . . . 94 PHE CA . 10107 1 1226 . 1 1 94 94 PHE CB C 13 39.430 0.300 . 1 . . . . 94 PHE CB . 10107 1 1227 . 1 1 94 94 PHE CD1 C 13 131.991 0.300 . 1 . . . . 94 PHE CD1 . 10107 1 1228 . 1 1 94 94 PHE CD2 C 13 131.991 0.300 . 1 . . . . 94 PHE CD2 . 10107 1 1229 . 1 1 94 94 PHE N N 15 124.142 0.300 . 1 . . . . 94 PHE N . 10107 1 1230 . 1 1 95 95 GLN H H 1 9.342 0.030 . 1 . . . . 95 GLN H . 10107 1 1231 . 1 1 95 95 GLN HA H 1 3.799 0.030 . 1 . . . . 95 GLN HA . 10107 1 1232 . 1 1 95 95 GLN HB2 H 1 2.427 0.030 . 2 . . . . 95 GLN HB2 . 10107 1 1233 . 1 1 95 95 GLN HB3 H 1 2.066 0.030 . 2 . . . . 95 GLN HB3 . 10107 1 1234 . 1 1 95 95 GLN HG2 H 1 2.580 0.030 . 2 . . . . 95 GLN HG2 . 10107 1 1235 . 1 1 95 95 GLN HG3 H 1 2.498 0.030 . 2 . . . . 95 GLN HG3 . 10107 1 1236 . 1 1 95 95 GLN HE21 H 1 8.066 0.030 . 2 . . . . 95 GLN HE21 . 10107 1 1237 . 1 1 95 95 GLN HE22 H 1 6.965 0.030 . 2 . . . . 95 GLN HE22 . 10107 1 1238 . 1 1 95 95 GLN C C 13 178.034 0.300 . 1 . . . . 95 GLN C . 10107 1 1239 . 1 1 95 95 GLN CA C 13 60.490 0.300 . 1 . . . . 95 GLN CA . 10107 1 1240 . 1 1 95 95 GLN CB C 13 27.708 0.300 . 1 . . . . 95 GLN CB . 10107 1 1241 . 1 1 95 95 GLN CG C 13 33.061 0.300 . 1 . . . . 95 GLN CG . 10107 1 1242 . 1 1 95 95 GLN N N 15 118.991 0.300 . 1 . . . . 95 GLN N . 10107 1 1243 . 1 1 95 95 GLN NE2 N 15 112.729 0.300 . 1 . . . . 95 GLN NE2 . 10107 1 1244 . 1 1 96 96 ASP H H 1 7.714 0.030 . 1 . . . . 96 ASP H . 10107 1 1245 . 1 1 96 96 ASP HA H 1 4.396 0.030 . 1 . . . . 96 ASP HA . 10107 1 1246 . 1 1 96 96 ASP HB2 H 1 2.377 0.030 . 2 . . . . 96 ASP HB2 . 10107 1 1247 . 1 1 96 96 ASP HB3 H 1 2.432 0.030 . 2 . . . . 96 ASP HB3 . 10107 1 1248 . 1 1 96 96 ASP C C 13 178.673 0.300 . 1 . . . . 96 ASP C . 10107 1 1249 . 1 1 96 96 ASP CA C 13 56.925 0.300 . 1 . . . . 96 ASP CA . 10107 1 1250 . 1 1 96 96 ASP CB C 13 41.449 0.300 . 1 . . . . 96 ASP CB . 10107 1 1251 . 1 1 96 96 ASP N N 15 113.656 0.300 . 1 . . . . 96 ASP N . 10107 1 1252 . 1 1 97 97 ASN H H 1 7.301 0.030 . 1 . . . . 97 ASN H . 10107 1 1253 . 1 1 97 97 ASN HA H 1 4.490 0.030 . 1 . . . . 97 ASN HA . 10107 1 1254 . 1 1 97 97 ASN HB2 H 1 2.740 0.030 . 2 . . . . 97 ASN HB2 . 10107 1 1255 . 1 1 97 97 ASN HB3 H 1 2.338 0.030 . 2 . . . . 97 ASN HB3 . 10107 1 1256 . 1 1 97 97 ASN HD21 H 1 7.957 0.030 . 2 . . . . 97 ASN HD21 . 10107 1 1257 . 1 1 97 97 ASN HD22 H 1 7.406 0.030 . 2 . . . . 97 ASN HD22 . 10107 1 1258 . 1 1 97 97 ASN C C 13 177.069 0.300 . 1 . . . . 97 ASN C . 10107 1 1259 . 1 1 97 97 ASN CA C 13 57.247 0.300 . 1 . . . . 97 ASN CA . 10107 1 1260 . 1 1 97 97 ASN CB C 13 39.538 0.300 . 1 . . . . 97 ASN CB . 10107 1 1261 . 1 1 97 97 ASN N N 15 116.544 0.300 . 1 . . . . 97 ASN N . 10107 1 1262 . 1 1 97 97 ASN ND2 N 15 110.311 0.300 . 1 . . . . 97 ASN ND2 . 10107 1 1263 . 1 1 98 98 PHE H H 1 9.294 0.030 . 1 . . . . 98 PHE H . 10107 1 1264 . 1 1 98 98 PHE HA H 1 4.359 0.030 . 1 . . . . 98 PHE HA . 10107 1 1265 . 1 1 98 98 PHE HB2 H 1 2.056 0.030 . 2 . . . . 98 PHE HB2 . 10107 1 1266 . 1 1 98 98 PHE HB3 H 1 2.683 0.030 . 2 . . . . 98 PHE HB3 . 10107 1 1267 . 1 1 98 98 PHE HD1 H 1 7.127 0.030 . 1 . . . . 98 PHE HD1 . 10107 1 1268 . 1 1 98 98 PHE HD2 H 1 7.127 0.030 . 1 . . . . 98 PHE HD2 . 10107 1 1269 . 1 1 98 98 PHE HE1 H 1 6.336 0.030 . 1 . . . . 98 PHE HE1 . 10107 1 1270 . 1 1 98 98 PHE HE2 H 1 6.336 0.030 . 1 . . . . 98 PHE HE2 . 10107 1 1271 . 1 1 98 98 PHE HZ H 1 7.331 0.030 . 1 . . . . 98 PHE HZ . 10107 1 1272 . 1 1 98 98 PHE C C 13 176.888 0.300 . 1 . . . . 98 PHE C . 10107 1 1273 . 1 1 98 98 PHE CA C 13 59.129 0.300 . 1 . . . . 98 PHE CA . 10107 1 1274 . 1 1 98 98 PHE CB C 13 38.803 0.300 . 1 . . . . 98 PHE CB . 10107 1 1275 . 1 1 98 98 PHE CD1 C 13 131.576 0.300 . 1 . . . . 98 PHE CD1 . 10107 1 1276 . 1 1 98 98 PHE CD2 C 13 131.576 0.300 . 1 . . . . 98 PHE CD2 . 10107 1 1277 . 1 1 98 98 PHE CE1 C 13 129.358 0.300 . 1 . . . . 98 PHE CE1 . 10107 1 1278 . 1 1 98 98 PHE CE2 C 13 129.358 0.300 . 1 . . . . 98 PHE CE2 . 10107 1 1279 . 1 1 98 98 PHE CZ C 13 131.053 0.300 . 1 . . . . 98 PHE CZ . 10107 1 1280 . 1 1 98 98 PHE N N 15 123.815 0.300 . 1 . . . . 98 PHE N . 10107 1 1281 . 1 1 99 99 GLU H H 1 8.270 0.030 . 1 . . . . 99 GLU H . 10107 1 1282 . 1 1 99 99 GLU HA H 1 3.917 0.030 . 1 . . . . 99 GLU HA . 10107 1 1283 . 1 1 99 99 GLU HB2 H 1 2.166 0.030 . 2 . . . . 99 GLU HB2 . 10107 1 1284 . 1 1 99 99 GLU HB3 H 1 2.113 0.030 . 2 . . . . 99 GLU HB3 . 10107 1 1285 . 1 1 99 99 GLU HG2 H 1 2.634 0.030 . 2 . . . . 99 GLU HG2 . 10107 1 1286 . 1 1 99 99 GLU HG3 H 1 2.369 0.030 . 2 . . . . 99 GLU HG3 . 10107 1 1287 . 1 1 99 99 GLU C C 13 179.337 0.300 . 1 . . . . 99 GLU C . 10107 1 1288 . 1 1 99 99 GLU CA C 13 59.725 0.300 . 1 . . . . 99 GLU CA . 10107 1 1289 . 1 1 99 99 GLU CB C 13 29.372 0.300 . 1 . . . . 99 GLU CB . 10107 1 1290 . 1 1 99 99 GLU CG C 13 36.727 0.300 . 1 . . . . 99 GLU CG . 10107 1 1291 . 1 1 99 99 GLU N N 15 118.938 0.300 . 1 . . . . 99 GLU N . 10107 1 1292 . 1 1 100 100 PHE H H 1 7.771 0.030 . 1 . . . . 100 PHE H . 10107 1 1293 . 1 1 100 100 PHE HA H 1 4.614 0.030 . 1 . . . . 100 PHE HA . 10107 1 1294 . 1 1 100 100 PHE HB2 H 1 3.208 0.030 . 1 . . . . 100 PHE HB2 . 10107 1 1295 . 1 1 100 100 PHE HB3 H 1 3.208 0.030 . 1 . . . . 100 PHE HB3 . 10107 1 1296 . 1 1 100 100 PHE HD1 H 1 7.301 0.030 . 1 . . . . 100 PHE HD1 . 10107 1 1297 . 1 1 100 100 PHE HD2 H 1 7.301 0.030 . 1 . . . . 100 PHE HD2 . 10107 1 1298 . 1 1 100 100 PHE HE1 H 1 7.228 0.030 . 1 . . . . 100 PHE HE1 . 10107 1 1299 . 1 1 100 100 PHE HE2 H 1 7.228 0.030 . 1 . . . . 100 PHE HE2 . 10107 1 1300 . 1 1 100 100 PHE HZ H 1 7.151 0.030 . 1 . . . . 100 PHE HZ . 10107 1 1301 . 1 1 100 100 PHE C C 13 176.586 0.300 . 1 . . . . 100 PHE C . 10107 1 1302 . 1 1 100 100 PHE CA C 13 62.515 0.300 . 1 . . . . 100 PHE CA . 10107 1 1303 . 1 1 100 100 PHE CB C 13 39.603 0.300 . 1 . . . . 100 PHE CB . 10107 1 1304 . 1 1 100 100 PHE CD1 C 13 132.319 0.300 . 1 . . . . 100 PHE CD1 . 10107 1 1305 . 1 1 100 100 PHE CD2 C 13 132.319 0.300 . 1 . . . . 100 PHE CD2 . 10107 1 1306 . 1 1 100 100 PHE CE1 C 13 129.396 0.300 . 1 . . . . 100 PHE CE1 . 10107 1 1307 . 1 1 100 100 PHE CE2 C 13 129.396 0.300 . 1 . . . . 100 PHE CE2 . 10107 1 1308 . 1 1 100 100 PHE CZ C 13 130.860 0.300 . 1 . . . . 100 PHE CZ . 10107 1 1309 . 1 1 100 100 PHE N N 15 118.633 0.300 . 1 . . . . 100 PHE N . 10107 1 1310 . 1 1 101 101 VAL H H 1 8.127 0.030 . 1 . . . . 101 VAL H . 10107 1 1311 . 1 1 101 101 VAL HA H 1 4.361 0.030 . 1 . . . . 101 VAL HA . 10107 1 1312 . 1 1 101 101 VAL HB H 1 2.741 0.030 . 1 . . . . 101 VAL HB . 10107 1 1313 . 1 1 101 101 VAL HG11 H 1 1.293 0.030 . 1 . . . . 101 VAL HG1 . 10107 1 1314 . 1 1 101 101 VAL HG12 H 1 1.293 0.030 . 1 . . . . 101 VAL HG1 . 10107 1 1315 . 1 1 101 101 VAL HG13 H 1 1.293 0.030 . 1 . . . . 101 VAL HG1 . 10107 1 1316 . 1 1 101 101 VAL HG21 H 1 1.434 0.030 . 1 . . . . 101 VAL HG2 . 10107 1 1317 . 1 1 101 101 VAL HG22 H 1 1.434 0.030 . 1 . . . . 101 VAL HG2 . 10107 1 1318 . 1 1 101 101 VAL HG23 H 1 1.434 0.030 . 1 . . . . 101 VAL HG2 . 10107 1 1319 . 1 1 101 101 VAL C C 13 175.910 0.300 . 1 . . . . 101 VAL C . 10107 1 1320 . 1 1 101 101 VAL CA C 13 65.377 0.300 . 1 . . . . 101 VAL CA . 10107 1 1321 . 1 1 101 101 VAL CB C 13 30.271 0.300 . 1 . . . . 101 VAL CB . 10107 1 1322 . 1 1 101 101 VAL CG1 C 13 20.653 0.300 . 2 . . . . 101 VAL CG1 . 10107 1 1323 . 1 1 101 101 VAL CG2 C 13 23.864 0.300 . 2 . . . . 101 VAL CG2 . 10107 1 1324 . 1 1 101 101 VAL N N 15 119.662 0.300 . 1 . . . . 101 VAL N . 10107 1 1325 . 1 1 102 102 GLN H H 1 7.558 0.030 . 1 . . . . 102 GLN H . 10107 1 1326 . 1 1 102 102 GLN HA H 1 3.912 0.030 . 1 . . . . 102 GLN HA . 10107 1 1327 . 1 1 102 102 GLN HB2 H 1 1.935 0.030 . 2 . . . . 102 GLN HB2 . 10107 1 1328 . 1 1 102 102 GLN HB3 H 1 1.893 0.030 . 2 . . . . 102 GLN HB3 . 10107 1 1329 . 1 1 102 102 GLN HG2 H 1 2.104 0.030 . 2 . . . . 102 GLN HG2 . 10107 1 1330 . 1 1 102 102 GLN HG3 H 1 1.873 0.030 . 2 . . . . 102 GLN HG3 . 10107 1 1331 . 1 1 102 102 GLN HE21 H 1 6.722 0.030 . 2 . . . . 102 GLN HE21 . 10107 1 1332 . 1 1 102 102 GLN HE22 H 1 5.943 0.030 . 2 . . . . 102 GLN HE22 . 10107 1 1333 . 1 1 102 102 GLN C C 13 178.444 0.300 . 1 . . . . 102 GLN C . 10107 1 1334 . 1 1 102 102 GLN CA C 13 59.722 0.300 . 1 . . . . 102 GLN CA . 10107 1 1335 . 1 1 102 102 GLN CB C 13 30.006 0.300 . 1 . . . . 102 GLN CB . 10107 1 1336 . 1 1 102 102 GLN CG C 13 35.203 0.300 . 1 . . . . 102 GLN CG . 10107 1 1337 . 1 1 102 102 GLN N N 15 120.074 0.300 . 1 . . . . 102 GLN N . 10107 1 1338 . 1 1 102 102 GLN NE2 N 15 111.241 0.300 . 1 . . . . 102 GLN NE2 . 10107 1 1339 . 1 1 103 103 TRP H H 1 7.513 0.030 . 1 . . . . 103 TRP H . 10107 1 1340 . 1 1 103 103 TRP HA H 1 3.848 0.030 . 1 . . . . 103 TRP HA . 10107 1 1341 . 1 1 103 103 TRP HB2 H 1 3.267 0.030 . 2 . . . . 103 TRP HB2 . 10107 1 1342 . 1 1 103 103 TRP HB3 H 1 3.393 0.030 . 2 . . . . 103 TRP HB3 . 10107 1 1343 . 1 1 103 103 TRP HD1 H 1 7.286 0.030 . 1 . . . . 103 TRP HD1 . 10107 1 1344 . 1 1 103 103 TRP HE1 H 1 10.071 0.030 . 1 . . . . 103 TRP HE1 . 10107 1 1345 . 1 1 103 103 TRP HE3 H 1 6.722 0.030 . 1 . . . . 103 TRP HE3 . 10107 1 1346 . 1 1 103 103 TRP HZ2 H 1 6.438 0.030 . 1 . . . . 103 TRP HZ2 . 10107 1 1347 . 1 1 103 103 TRP HZ3 H 1 6.730 0.030 . 1 . . . . 103 TRP HZ3 . 10107 1 1348 . 1 1 103 103 TRP HH2 H 1 5.814 0.030 . 1 . . . . 103 TRP HH2 . 10107 1 1349 . 1 1 103 103 TRP C C 13 176.140 0.300 . 1 . . . . 103 TRP C . 10107 1 1350 . 1 1 103 103 TRP CA C 13 62.386 0.300 . 1 . . . . 103 TRP CA . 10107 1 1351 . 1 1 103 103 TRP CB C 13 27.549 0.300 . 1 . . . . 103 TRP CB . 10107 1 1352 . 1 1 103 103 TRP CD1 C 13 126.881 0.300 . 1 . . . . 103 TRP CD1 . 10107 1 1353 . 1 1 103 103 TRP CE3 C 13 120.093 0.300 . 1 . . . . 103 TRP CE3 . 10107 1 1354 . 1 1 103 103 TRP CZ2 C 13 114.008 0.300 . 1 . . . . 103 TRP CZ2 . 10107 1 1355 . 1 1 103 103 TRP CZ3 C 13 120.815 0.300 . 1 . . . . 103 TRP CZ3 . 10107 1 1356 . 1 1 103 103 TRP CH2 C 13 123.892 0.300 . 1 . . . . 103 TRP CH2 . 10107 1 1357 . 1 1 103 103 TRP N N 15 120.960 0.300 . 1 . . . . 103 TRP N . 10107 1 1358 . 1 1 103 103 TRP NE1 N 15 129.974 0.300 . 1 . . . . 103 TRP NE1 . 10107 1 1359 . 1 1 104 104 PHE H H 1 8.770 0.030 . 1 . . . . 104 PHE H . 10107 1 1360 . 1 1 104 104 PHE HA H 1 3.153 0.030 . 1 . . . . 104 PHE HA . 10107 1 1361 . 1 1 104 104 PHE HB2 H 1 2.703 0.030 . 2 . . . . 104 PHE HB2 . 10107 1 1362 . 1 1 104 104 PHE HB3 H 1 3.229 0.030 . 2 . . . . 104 PHE HB3 . 10107 1 1363 . 1 1 104 104 PHE HD1 H 1 7.267 0.030 . 1 . . . . 104 PHE HD1 . 10107 1 1364 . 1 1 104 104 PHE HD2 H 1 7.267 0.030 . 1 . . . . 104 PHE HD2 . 10107 1 1365 . 1 1 104 104 PHE HE1 H 1 6.440 0.030 . 1 . . . . 104 PHE HE1 . 10107 1 1366 . 1 1 104 104 PHE HE2 H 1 6.440 0.030 . 1 . . . . 104 PHE HE2 . 10107 1 1367 . 1 1 104 104 PHE HZ H 1 7.123 0.030 . 1 . . . . 104 PHE HZ . 10107 1 1368 . 1 1 104 104 PHE C C 13 176.478 0.300 . 1 . . . . 104 PHE C . 10107 1 1369 . 1 1 104 104 PHE CA C 13 61.668 0.300 . 1 . . . . 104 PHE CA . 10107 1 1370 . 1 1 104 104 PHE CB C 13 40.295 0.300 . 1 . . . . 104 PHE CB . 10107 1 1371 . 1 1 104 104 PHE CD1 C 13 132.331 0.300 . 1 . . . . 104 PHE CD1 . 10107 1 1372 . 1 1 104 104 PHE CD2 C 13 132.331 0.300 . 1 . . . . 104 PHE CD2 . 10107 1 1373 . 1 1 104 104 PHE CE1 C 13 130.411 0.300 . 1 . . . . 104 PHE CE1 . 10107 1 1374 . 1 1 104 104 PHE CE2 C 13 130.411 0.300 . 1 . . . . 104 PHE CE2 . 10107 1 1375 . 1 1 104 104 PHE CZ C 13 128.302 0.300 . 1 . . . . 104 PHE CZ . 10107 1 1376 . 1 1 104 104 PHE N N 15 121.483 0.300 . 1 . . . . 104 PHE N . 10107 1 1377 . 1 1 105 105 LYS H H 1 8.656 0.030 . 1 . . . . 105 LYS H . 10107 1 1378 . 1 1 105 105 LYS HA H 1 3.442 0.030 . 1 . . . . 105 LYS HA . 10107 1 1379 . 1 1 105 105 LYS HB2 H 1 1.433 0.030 . 2 . . . . 105 LYS HB2 . 10107 1 1380 . 1 1 105 105 LYS HB3 H 1 1.227 0.030 . 2 . . . . 105 LYS HB3 . 10107 1 1381 . 1 1 105 105 LYS HG2 H 1 0.664 0.030 . 2 . . . . 105 LYS HG2 . 10107 1 1382 . 1 1 105 105 LYS HG3 H 1 -0.142 0.030 . 2 . . . . 105 LYS HG3 . 10107 1 1383 . 1 1 105 105 LYS HD2 H 1 0.668 0.030 . 2 . . . . 105 LYS HD2 . 10107 1 1384 . 1 1 105 105 LYS HD3 H 1 0.422 0.030 . 2 . . . . 105 LYS HD3 . 10107 1 1385 . 1 1 105 105 LYS HE2 H 1 1.754 0.030 . 2 . . . . 105 LYS HE2 . 10107 1 1386 . 1 1 105 105 LYS HE3 H 1 2.358 0.030 . 2 . . . . 105 LYS HE3 . 10107 1 1387 . 1 1 105 105 LYS C C 13 177.177 0.300 . 1 . . . . 105 LYS C . 10107 1 1388 . 1 1 105 105 LYS CA C 13 59.130 0.300 . 1 . . . . 105 LYS CA . 10107 1 1389 . 1 1 105 105 LYS CB C 13 32.407 0.300 . 1 . . . . 105 LYS CB . 10107 1 1390 . 1 1 105 105 LYS CG C 13 24.603 0.300 . 1 . . . . 105 LYS CG . 10107 1 1391 . 1 1 105 105 LYS CD C 13 28.481 0.300 . 1 . . . . 105 LYS CD . 10107 1 1392 . 1 1 105 105 LYS CE C 13 41.832 0.300 . 1 . . . . 105 LYS CE . 10107 1 1393 . 1 1 105 105 LYS N N 15 118.561 0.300 . 1 . . . . 105 LYS N . 10107 1 1394 . 1 1 106 106 LYS H H 1 7.039 0.030 . 1 . . . . 106 LYS H . 10107 1 1395 . 1 1 106 106 LYS HA H 1 3.744 0.030 . 1 . . . . 106 LYS HA . 10107 1 1396 . 1 1 106 106 LYS HB2 H 1 1.634 0.030 . 1 . . . . 106 LYS HB2 . 10107 1 1397 . 1 1 106 106 LYS HB3 H 1 1.634 0.030 . 1 . . . . 106 LYS HB3 . 10107 1 1398 . 1 1 106 106 LYS HG2 H 1 1.314 0.030 . 2 . . . . 106 LYS HG2 . 10107 1 1399 . 1 1 106 106 LYS HG3 H 1 1.209 0.030 . 2 . . . . 106 LYS HG3 . 10107 1 1400 . 1 1 106 106 LYS HD2 H 1 1.558 0.030 . 1 . . . . 106 LYS HD2 . 10107 1 1401 . 1 1 106 106 LYS HD3 H 1 1.558 0.030 . 1 . . . . 106 LYS HD3 . 10107 1 1402 . 1 1 106 106 LYS HE2 H 1 2.874 0.030 . 1 . . . . 106 LYS HE2 . 10107 1 1403 . 1 1 106 106 LYS HE3 H 1 2.874 0.030 . 1 . . . . 106 LYS HE3 . 10107 1 1404 . 1 1 106 106 LYS C C 13 178.154 0.300 . 1 . . . . 106 LYS C . 10107 1 1405 . 1 1 106 106 LYS CA C 13 58.800 0.300 . 1 . . . . 106 LYS CA . 10107 1 1406 . 1 1 106 106 LYS CB C 13 31.693 0.300 . 1 . . . . 106 LYS CB . 10107 1 1407 . 1 1 106 106 LYS CG C 13 24.866 0.300 . 1 . . . . 106 LYS CG . 10107 1 1408 . 1 1 106 106 LYS CD C 13 29.101 0.300 . 1 . . . . 106 LYS CD . 10107 1 1409 . 1 1 106 106 LYS CE C 13 42.079 0.300 . 1 . . . . 106 LYS CE . 10107 1 1410 . 1 1 106 106 LYS N N 15 117.495 0.300 . 1 . . . . 106 LYS N . 10107 1 1411 . 1 1 107 107 PHE H H 1 7.812 0.030 . 1 . . . . 107 PHE H . 10107 1 1412 . 1 1 107 107 PHE HA H 1 3.598 0.030 . 1 . . . . 107 PHE HA . 10107 1 1413 . 1 1 107 107 PHE HB2 H 1 1.628 0.030 . 2 . . . . 107 PHE HB2 . 10107 1 1414 . 1 1 107 107 PHE HB3 H 1 1.549 0.030 . 2 . . . . 107 PHE HB3 . 10107 1 1415 . 1 1 107 107 PHE HD1 H 1 6.027 0.030 . 1 . . . . 107 PHE HD1 . 10107 1 1416 . 1 1 107 107 PHE HD2 H 1 6.027 0.030 . 1 . . . . 107 PHE HD2 . 10107 1 1417 . 1 1 107 107 PHE HE1 H 1 6.976 0.030 . 1 . . . . 107 PHE HE1 . 10107 1 1418 . 1 1 107 107 PHE HE2 H 1 6.976 0.030 . 1 . . . . 107 PHE HE2 . 10107 1 1419 . 1 1 107 107 PHE HZ H 1 7.112 0.030 . 1 . . . . 107 PHE HZ . 10107 1 1420 . 1 1 107 107 PHE C C 13 177.177 0.300 . 1 . . . . 107 PHE C . 10107 1 1421 . 1 1 107 107 PHE CA C 13 60.597 0.300 . 1 . . . . 107 PHE CA . 10107 1 1422 . 1 1 107 107 PHE CB C 13 38.558 0.300 . 1 . . . . 107 PHE CB . 10107 1 1423 . 1 1 107 107 PHE CD1 C 13 131.489 0.300 . 1 . . . . 107 PHE CD1 . 10107 1 1424 . 1 1 107 107 PHE CD2 C 13 131.489 0.300 . 1 . . . . 107 PHE CD2 . 10107 1 1425 . 1 1 107 107 PHE CE1 C 13 130.669 0.300 . 1 . . . . 107 PHE CE1 . 10107 1 1426 . 1 1 107 107 PHE CE2 C 13 130.669 0.300 . 1 . . . . 107 PHE CE2 . 10107 1 1427 . 1 1 107 107 PHE CZ C 13 129.174 0.300 . 1 . . . . 107 PHE CZ . 10107 1 1428 . 1 1 107 107 PHE N N 15 119.993 0.300 . 1 . . . . 107 PHE N . 10107 1 1429 . 1 1 108 108 PHE H H 1 8.146 0.030 . 1 . . . . 108 PHE H . 10107 1 1430 . 1 1 108 108 PHE HA H 1 3.994 0.030 . 1 . . . . 108 PHE HA . 10107 1 1431 . 1 1 108 108 PHE HB2 H 1 3.159 0.030 . 2 . . . . 108 PHE HB2 . 10107 1 1432 . 1 1 108 108 PHE HB3 H 1 2.540 0.030 . 2 . . . . 108 PHE HB3 . 10107 1 1433 . 1 1 108 108 PHE HD1 H 1 6.973 0.030 . 1 . . . . 108 PHE HD1 . 10107 1 1434 . 1 1 108 108 PHE HD2 H 1 6.973 0.030 . 1 . . . . 108 PHE HD2 . 10107 1 1435 . 1 1 108 108 PHE HZ H 1 7.149 0.030 . 1 . . . . 108 PHE HZ . 10107 1 1436 . 1 1 108 108 PHE C C 13 176.550 0.300 . 1 . . . . 108 PHE C . 10107 1 1437 . 1 1 108 108 PHE CA C 13 60.474 0.300 . 1 . . . . 108 PHE CA . 10107 1 1438 . 1 1 108 108 PHE CB C 13 39.527 0.300 . 1 . . . . 108 PHE CB . 10107 1 1439 . 1 1 108 108 PHE CD1 C 13 132.069 0.300 . 1 . . . . 108 PHE CD1 . 10107 1 1440 . 1 1 108 108 PHE CD2 C 13 132.069 0.300 . 1 . . . . 108 PHE CD2 . 10107 1 1441 . 1 1 108 108 PHE CZ C 13 131.058 0.300 . 1 . . . . 108 PHE CZ . 10107 1 1442 . 1 1 108 108 PHE N N 15 116.938 0.300 . 1 . . . . 108 PHE N . 10107 1 1443 . 1 1 109 109 ASP H H 1 8.234 0.030 . 1 . . . . 109 ASP H . 10107 1 1444 . 1 1 109 109 ASP HA H 1 4.653 0.030 . 1 . . . . 109 ASP HA . 10107 1 1445 . 1 1 109 109 ASP HB2 H 1 2.517 0.030 . 2 . . . . 109 ASP HB2 . 10107 1 1446 . 1 1 109 109 ASP HB3 H 1 2.641 0.030 . 2 . . . . 109 ASP HB3 . 10107 1 1447 . 1 1 109 109 ASP C C 13 176.236 0.300 . 1 . . . . 109 ASP C . 10107 1 1448 . 1 1 109 109 ASP CA C 13 55.084 0.300 . 1 . . . . 109 ASP CA . 10107 1 1449 . 1 1 109 109 ASP CB C 13 41.257 0.300 . 1 . . . . 109 ASP CB . 10107 1 1450 . 1 1 109 109 ASP N N 15 119.932 0.300 . 1 . . . . 109 ASP N . 10107 1 1451 . 1 1 110 110 SER H H 1 7.893 0.030 . 1 . . . . 110 SER H . 10107 1 1452 . 1 1 110 110 SER HA H 1 4.368 0.030 . 1 . . . . 110 SER HA . 10107 1 1453 . 1 1 110 110 SER HB2 H 1 3.841 0.030 . 2 . . . . 110 SER HB2 . 10107 1 1454 . 1 1 110 110 SER HB3 H 1 3.889 0.030 . 2 . . . . 110 SER HB3 . 10107 1 1455 . 1 1 110 110 SER C C 13 174.462 0.300 . 1 . . . . 110 SER C . 10107 1 1456 . 1 1 110 110 SER CA C 13 59.027 0.300 . 1 . . . . 110 SER CA . 10107 1 1457 . 1 1 110 110 SER CB C 13 63.899 0.300 . 1 . . . . 110 SER CB . 10107 1 1458 . 1 1 110 110 SER N N 15 115.783 0.300 . 1 . . . . 110 SER N . 10107 1 1459 . 1 1 111 111 GLY H H 1 7.974 0.030 . 1 . . . . 111 GLY H . 10107 1 1460 . 1 1 111 111 GLY HA2 H 1 3.979 0.030 . 1 . . . . 111 GLY HA2 . 10107 1 1461 . 1 1 111 111 GLY HA3 H 1 3.979 0.030 . 1 . . . . 111 GLY HA3 . 10107 1 1462 . 1 1 111 111 GLY C C 13 171.434 0.300 . 1 . . . . 111 GLY C . 10107 1 1463 . 1 1 111 111 GLY CA C 13 45.098 0.300 . 1 . . . . 111 GLY CA . 10107 1 1464 . 1 1 111 111 GLY N N 15 110.503 0.300 . 1 . . . . 111 GLY N . 10107 1 1465 . 1 1 112 112 PRO HA H 1 4.413 0.030 . 1 . . . . 112 PRO HA . 10107 1 1466 . 1 1 112 112 PRO HB2 H 1 2.201 0.030 . 2 . . . . 112 PRO HB2 . 10107 1 1467 . 1 1 112 112 PRO HB3 H 1 1.967 0.030 . 2 . . . . 112 PRO HB3 . 10107 1 1468 . 1 1 112 112 PRO HG2 H 1 1.918 0.030 . 1 . . . . 112 PRO HG2 . 10107 1 1469 . 1 1 112 112 PRO HG3 H 1 1.918 0.030 . 1 . . . . 112 PRO HG3 . 10107 1 1470 . 1 1 112 112 PRO HD2 H 1 3.533 0.030 . 1 . . . . 112 PRO HD2 . 10107 1 1471 . 1 1 112 112 PRO HD3 H 1 3.533 0.030 . 1 . . . . 112 PRO HD3 . 10107 1 1472 . 1 1 112 112 PRO C C 13 176.776 0.300 . 1 . . . . 112 PRO C . 10107 1 1473 . 1 1 112 112 PRO CA C 13 63.450 0.300 . 1 . . . . 112 PRO CA . 10107 1 1474 . 1 1 112 112 PRO CB C 13 32.122 0.300 . 1 . . . . 112 PRO CB . 10107 1 1475 . 1 1 112 112 PRO CG C 13 26.928 0.300 . 1 . . . . 112 PRO CG . 10107 1 1476 . 1 1 112 112 PRO CD C 13 49.777 0.300 . 1 . . . . 112 PRO CD . 10107 1 1477 . 1 1 113 113 SER H H 1 8.402 0.030 . 1 . . . . 113 SER H . 10107 1 1478 . 1 1 113 113 SER HA H 1 4.503 0.030 . 1 . . . . 113 SER HA . 10107 1 1479 . 1 1 113 113 SER HB2 H 1 3.840 0.030 . 1 . . . . 113 SER HB2 . 10107 1 1480 . 1 1 113 113 SER HB3 H 1 3.840 0.030 . 1 . . . . 113 SER HB3 . 10107 1 1481 . 1 1 113 113 SER C C 13 174.306 0.300 . 1 . . . . 113 SER C . 10107 1 1482 . 1 1 113 113 SER CA C 13 57.787 0.300 . 1 . . . . 113 SER CA . 10107 1 1483 . 1 1 113 113 SER CB C 13 63.911 0.300 . 1 . . . . 113 SER CB . 10107 1 1484 . 1 1 113 113 SER N N 15 115.993 0.300 . 1 . . . . 113 SER N . 10107 1 1485 . 1 1 114 114 SER H H 1 8.309 0.030 . 1 . . . . 114 SER H . 10107 1 1486 . 1 1 114 114 SER HA H 1 4.474 0.030 . 1 . . . . 114 SER HA . 10107 1 1487 . 1 1 114 114 SER HB2 H 1 3.884 0.030 . 1 . . . . 114 SER HB2 . 10107 1 1488 . 1 1 114 114 SER HB3 H 1 3.884 0.030 . 1 . . . . 114 SER HB3 . 10107 1 1489 . 1 1 114 114 SER C C 13 173.594 0.300 . 1 . . . . 114 SER C . 10107 1 1490 . 1 1 114 114 SER CA C 13 58.457 0.300 . 1 . . . . 114 SER CA . 10107 1 1491 . 1 1 114 114 SER CB C 13 63.683 0.300 . 1 . . . . 114 SER CB . 10107 1 1492 . 1 1 114 114 SER N N 15 117.900 0.300 . 1 . . . . 114 SER N . 10107 1 1493 . 1 1 115 115 GLY H H 1 8.054 0.030 . 1 . . . . 115 GLY H . 10107 1 1494 . 1 1 115 115 GLY HA2 H 1 3.796 0.030 . 1 . . . . 115 GLY HA2 . 10107 1 1495 . 1 1 115 115 GLY HA3 H 1 3.796 0.030 . 1 . . . . 115 GLY HA3 . 10107 1 1496 . 1 1 115 115 GLY C C 13 178.613 0.300 . 1 . . . . 115 GLY C . 10107 1 1497 . 1 1 115 115 GLY CA C 13 46.247 0.300 . 1 . . . . 115 GLY CA . 10107 1 1498 . 1 1 115 115 GLY N N 15 116.879 0.300 . 1 . . . . 115 GLY N . 10107 1 stop_ save_