data_19482 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19482 _Entry.Title ; The Solution Structure of the Regulatory Domain of Tyrosine Hydroxylase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-08 _Entry.Accession_date 2013-09-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shengnan Zhang . . . 19482 2 Tao Huang . . . 19482 3 Andrew Hinck . . . 19482 4 Paul Fitzpatrick . . . 19482 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19482 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ACT domain' . 19482 'NMR Spectroscopy' . 19482 regulation . 19482 'Tyrosine hydroxylase' . 19482 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19482 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 358 19482 '15N chemical shifts' 88 19482 '1H chemical shifts' 570 19482 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-04-28 2013-09-08 update BMRB 'update entry citation' 19482 1 . . 2014-01-02 2013-09-10 original author 'original release' 19482 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19482 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2013.12.015 _Citation.PubMed_ID 24361276 _Citation.Full_citation . _Citation.Title 'The Solution Structure of the Regulatory Domain of Tyrosine Hydroxylase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 426 _Citation.Journal_issue 7 _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 1483 _Citation.Page_last 1497 _Citation.Year 2013 _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 Shengnan Zhang . . . 19482 1 2 Tao Huang . . . 19482 1 3 Andrew Hinck . . . 19482 1 4 Paul Fitzpatrick . . . 19482 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19482 _Assembly.ID 1 _Assembly.Name 'Regulatory Domain of Tyrosine Hydroxylase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Regulatory Domain of Tyrosine Hydroxylase' 1 $RDTyrH65-159 A . yes native no no . . . 19482 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RDTyrH65-159 _Entity.Sf_category entity _Entity.Sf_framecode RDTyrH65-159 _Entity.Entry_ID 19482 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RDTyrH65-159 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NPLEAVVFEERDGNAVLNLL FSLRGTKPSSLSRAVKVFET FEAKIHHLETRPAQRPLAGS PHLEYFVRFEVPSGDLAALL SSVRRVSDDVRSA ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10485.973 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 19480 . regulatory_domain_of_tyrosine_hydroxylase . . . . . 100.00 159 100.00 100.00 8.53e-58 . . . . 19482 1 2 no BMRB 19481 . Ser40_phosphorylated_regulatory_domain_of_tyrosine_hydroxylase . . . . . 100.00 159 100.00 100.00 8.53e-58 . . . . 19482 1 3 no PDB 2MDA . "The Solution Structure Of The Regulatory Domain Of Tyrosine Hydroxylase" . . . . . 100.00 95 100.00 100.00 1.91e-57 . . . . 19482 1 4 no DBJ BAE24067 . "unnamed protein product [Mus musculus]" . . . . . 61.29 403 98.25 98.25 2.25e-27 . . . . 19482 1 5 no GB AAA40434 . "tyrosine hydroxylase [Mus musculus]" . . . . . 100.00 498 98.92 100.00 2.04e-53 . . . . 19482 1 6 no GB AAA42257 . "tyrosine hydroxylase (EC 1.14.16.2) [Rattus norvegicus]" . . . . . 100.00 498 100.00 100.00 9.40e-54 . . . . 19482 1 7 no GB AAA42258 . "tyrosine hydroxylase [Rattus norvegicus]" . . . . . 100.00 498 100.00 100.00 9.40e-54 . . . . 19482 1 8 no GB AAI56669 . "Tyrosine hydroxylase [synthetic construct]" . . . . . 100.00 498 98.92 100.00 2.04e-53 . . . . 19482 1 9 no GB AAX55332 . "chimeric tyrosine hydroxylase [synthetic construct]" . . . . . 100.00 498 98.92 98.92 3.20e-53 . . . . 19482 1 10 no REF NP_033403 . "tyrosine 3-monooxygenase [Mus musculus]" . . . . . 100.00 498 98.92 100.00 2.04e-53 . . . . 19482 1 11 no REF NP_036872 . "tyrosine 3-monooxygenase [Rattus norvegicus]" . . . . . 100.00 498 100.00 100.00 9.40e-54 . . . . 19482 1 12 no SP P04177 . "RecName: Full=Tyrosine 3-monooxygenase; AltName: Full=Tyrosine 3-hydroxylase; Short=TH" . . . . . 100.00 498 100.00 100.00 9.40e-54 . . . . 19482 1 13 no SP P24529 . "RecName: Full=Tyrosine 3-monooxygenase; AltName: Full=Tyrosine 3-hydroxylase; Short=TH" . . . . . 100.00 498 98.92 100.00 2.04e-53 . . . . 19482 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 67 ASN . 19482 1 2 68 PRO . 19482 1 3 69 LEU . 19482 1 4 70 GLU . 19482 1 5 71 ALA . 19482 1 6 72 VAL . 19482 1 7 73 VAL . 19482 1 8 74 PHE . 19482 1 9 75 GLU . 19482 1 10 76 GLU . 19482 1 11 77 ARG . 19482 1 12 78 ASP . 19482 1 13 79 GLY . 19482 1 14 80 ASN . 19482 1 15 81 ALA . 19482 1 16 82 VAL . 19482 1 17 83 LEU . 19482 1 18 84 ASN . 19482 1 19 85 LEU . 19482 1 20 86 LEU . 19482 1 21 87 PHE . 19482 1 22 88 SER . 19482 1 23 89 LEU . 19482 1 24 90 ARG . 19482 1 25 91 GLY . 19482 1 26 92 THR . 19482 1 27 93 LYS . 19482 1 28 94 PRO . 19482 1 29 95 SER . 19482 1 30 96 SER . 19482 1 31 97 LEU . 19482 1 32 98 SER . 19482 1 33 99 ARG . 19482 1 34 100 ALA . 19482 1 35 101 VAL . 19482 1 36 102 LYS . 19482 1 37 103 VAL . 19482 1 38 104 PHE . 19482 1 39 105 GLU . 19482 1 40 106 THR . 19482 1 41 107 PHE . 19482 1 42 108 GLU . 19482 1 43 109 ALA . 19482 1 44 110 LYS . 19482 1 45 111 ILE . 19482 1 46 112 HIS . 19482 1 47 113 HIS . 19482 1 48 114 LEU . 19482 1 49 115 GLU . 19482 1 50 116 THR . 19482 1 51 117 ARG . 19482 1 52 118 PRO . 19482 1 53 119 ALA . 19482 1 54 120 GLN . 19482 1 55 121 ARG . 19482 1 56 122 PRO . 19482 1 57 123 LEU . 19482 1 58 124 ALA . 19482 1 59 125 GLY . 19482 1 60 126 SER . 19482 1 61 127 PRO . 19482 1 62 128 HIS . 19482 1 63 129 LEU . 19482 1 64 130 GLU . 19482 1 65 131 TYR . 19482 1 66 132 PHE . 19482 1 67 133 VAL . 19482 1 68 134 ARG . 19482 1 69 135 PHE . 19482 1 70 136 GLU . 19482 1 71 137 VAL . 19482 1 72 138 PRO . 19482 1 73 139 SER . 19482 1 74 140 GLY . 19482 1 75 141 ASP . 19482 1 76 142 LEU . 19482 1 77 143 ALA . 19482 1 78 144 ALA . 19482 1 79 145 LEU . 19482 1 80 146 LEU . 19482 1 81 147 SER . 19482 1 82 148 SER . 19482 1 83 149 VAL . 19482 1 84 150 ARG . 19482 1 85 151 ARG . 19482 1 86 152 VAL . 19482 1 87 153 SER . 19482 1 88 154 ASP . 19482 1 89 155 ASP . 19482 1 90 156 VAL . 19482 1 91 157 ARG . 19482 1 92 158 SER . 19482 1 93 159 ALA . 19482 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 . ASN 1 1 19482 1 . PRO 2 2 19482 1 . LEU 3 3 19482 1 . GLU 4 4 19482 1 . ALA 5 5 19482 1 . VAL 6 6 19482 1 . VAL 7 7 19482 1 . PHE 8 8 19482 1 . GLU 9 9 19482 1 . GLU 10 10 19482 1 . ARG 11 11 19482 1 . ASP 12 12 19482 1 . GLY 13 13 19482 1 . ASN 14 14 19482 1 . ALA 15 15 19482 1 . VAL 16 16 19482 1 . LEU 17 17 19482 1 . ASN 18 18 19482 1 . LEU 19 19 19482 1 . LEU 20 20 19482 1 . PHE 21 21 19482 1 . SER 22 22 19482 1 . LEU 23 23 19482 1 . ARG 24 24 19482 1 . GLY 25 25 19482 1 . THR 26 26 19482 1 . LYS 27 27 19482 1 . PRO 28 28 19482 1 . SER 29 29 19482 1 . SER 30 30 19482 1 . LEU 31 31 19482 1 . SER 32 32 19482 1 . ARG 33 33 19482 1 . ALA 34 34 19482 1 . VAL 35 35 19482 1 . LYS 36 36 19482 1 . VAL 37 37 19482 1 . PHE 38 38 19482 1 . GLU 39 39 19482 1 . THR 40 40 19482 1 . PHE 41 41 19482 1 . GLU 42 42 19482 1 . ALA 43 43 19482 1 . LYS 44 44 19482 1 . ILE 45 45 19482 1 . HIS 46 46 19482 1 . HIS 47 47 19482 1 . LEU 48 48 19482 1 . GLU 49 49 19482 1 . THR 50 50 19482 1 . ARG 51 51 19482 1 . PRO 52 52 19482 1 . ALA 53 53 19482 1 . GLN 54 54 19482 1 . ARG 55 55 19482 1 . PRO 56 56 19482 1 . LEU 57 57 19482 1 . ALA 58 58 19482 1 . GLY 59 59 19482 1 . SER 60 60 19482 1 . PRO 61 61 19482 1 . HIS 62 62 19482 1 . LEU 63 63 19482 1 . GLU 64 64 19482 1 . TYR 65 65 19482 1 . PHE 66 66 19482 1 . VAL 67 67 19482 1 . ARG 68 68 19482 1 . PHE 69 69 19482 1 . GLU 70 70 19482 1 . VAL 71 71 19482 1 . PRO 72 72 19482 1 . SER 73 73 19482 1 . GLY 74 74 19482 1 . ASP 75 75 19482 1 . LEU 76 76 19482 1 . ALA 77 77 19482 1 . ALA 78 78 19482 1 . LEU 79 79 19482 1 . LEU 80 80 19482 1 . SER 81 81 19482 1 . SER 82 82 19482 1 . VAL 83 83 19482 1 . ARG 84 84 19482 1 . ARG 85 85 19482 1 . VAL 86 86 19482 1 . SER 87 87 19482 1 . ASP 88 88 19482 1 . ASP 89 89 19482 1 . VAL 90 90 19482 1 . ARG 91 91 19482 1 . SER 92 92 19482 1 . ALA 93 93 19482 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 19482 _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 $RDTyrH65-159 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19482 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 19482 _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 $RDTyrH65-159 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETNTERM . . . . . . 19482 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19482 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 M leupeptin and 1 M pepstatin A were added as protease inhibitor' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RDTyrH65-159 '[U-95% 15N]' . . 1 $RDTyrH65-159 . . 0.8 . . mM . . . . 19482 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19482 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19482 1 4 H2O '[U-100% 2H]' . . . . . . 95 . . % . . . . 19482 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19482 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 M leupeptin and 1 M pepstatin A were added as protease inhibitor' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RDTyrH65-159 '[U-95% 13C; U-95% 15N]' . . 1 $RDTyrH65-159 . . 1.0-1.2 . . mM . . . . 19482 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19482 2 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19482 2 4 h2O '[U-100% 2H]' . . . . . . 95 . . % . . . . 19482 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19482 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 M leupeptin and 1 M pepstatin A were added as protease inhibitor' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RDTyrH65-159 'natural abundance' . . 1 $RDTyrH65-159 . . 0.9 . . mM . . . . 19482 3 2 RDTyrH65-159 '[U-2H; U-15N]' . . 1 $RDTyrH65-159 . . 0.9 . . mM . . . . 19482 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19482 3 4 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19482 3 5 H2O '[U-100% 2H]' . . . . . . 95 . . % . . . . 19482 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19482 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 M leupeptin and 1 M pepstatin A were added as protease inhibitor' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RDTyrH65-159 '[U-95% 15N]' . . 1 $RDTyrH65-159 . . 0.8 . . mM . . . . 19482 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19482 4 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19482 4 4 'Pf1 phage' 'natural abundance' . . . . . . 8 . . mg/mL . . . . 19482 4 5 H2O '[U-100% 2H]' . . . . . . 95 . . % . . . . 19482 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19482 _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' 0.11 . M 19482 1 pH 7 . pH 19482 1 pressure 1 . atm 19482 1 temperature 300 . K 19482 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19482 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19482 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19482 1 'structure solution' 19482 1 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 19482 _Software.ID 2 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 19482 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19482 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19482 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19482 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19482 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19482 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19482 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19482 4 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19482 _Software.ID 5 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19482 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19482 5 'data analysis' 19482 5 'peak picking' 19482 5 stop_ save_ save_PECAN _Software.Sf_category software _Software.Sf_framecode PECAN _Software.Entry_ID 19482 _Software.ID 6 _Software.Name PECAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eghbalnia, Wang, Bahrami, Assadi, and Markley' . . 19482 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19482 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19482 _Software.ID 7 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19482 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19482 7 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19482 _Software.ID 8 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19482 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19482 8 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19482 _Software.ID 9 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19482 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19482 9 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19482 _Software.ID 10 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19482 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19482 10 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 19482 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19482 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19482 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19482 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19482 1 2 spectrometer_2 Bruker Avance . 600 . . . 19482 1 3 spectrometer_3 Bruker Avance . 500 . . . 19482 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19482 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 13 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 17 '2D IPAP-HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 18 T1 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 19 T2 no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 20 Relax_NOE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19482 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19482 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 19482 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19482 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19482 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19482 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 19482 1 2 '2D 1H-13C HSQC' . . . 19482 1 3 '3D CBCA(CO)NH' . . . 19482 1 4 '3D C(CO)NH' . . . 19482 1 5 '3D HNCO' . . . 19482 1 6 '3D HNCA' . . . 19482 1 7 '3D HNCACB' . . . 19482 1 8 '3D HBHA(CO)NH' . . . 19482 1 9 '3D HN(CO)CA' . . . 19482 1 10 '3D H(CCO)NH' . . . 19482 1 11 '3D HCCH-TOCSY' . . . 19482 1 12 '3D 1H-15N NOESY' . . . 19482 1 13 '3D 1H-13C NOESY' . . . 19482 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.9990 0.02 . 1 . . . A 67 ASN HA . 19482 1 2 . 1 1 1 1 ASN HB2 H 1 2.7800 0.02 . 2 . . . A 67 ASN HB2 . 19482 1 3 . 1 1 1 1 ASN HB3 H 1 2.9000 0.02 . 2 . . . A 67 ASN HB3 . 19482 1 4 . 1 1 1 1 ASN HD21 H 1 7.7600 0.02 . 2 . . . A 67 ASN HD21 . 19482 1 5 . 1 1 1 1 ASN HD22 H 1 7.0200 0.02 . 2 . . . A 67 ASN HD22 . 19482 1 6 . 1 1 1 1 ASN CA C 13 50.8690 0.30 . 1 . . . A 67 ASN CA . 19482 1 7 . 1 1 1 1 ASN CB C 13 38.9700 0.30 . 1 . . . A 67 ASN CB . 19482 1 8 . 1 1 1 1 ASN ND2 N 15 113.2000 0.30 . 1 . . . A 67 ASN ND2 . 19482 1 9 . 1 1 2 2 PRO HA H 1 4.3560 0.02 . 1 . . . A 68 PRO HA . 19482 1 10 . 1 1 2 2 PRO HB2 H 1 2.3140 0.02 . 2 . . . A 68 PRO HB2 . 19482 1 11 . 1 1 2 2 PRO HB3 H 1 1.8550 0.02 . 2 . . . A 68 PRO HB3 . 19482 1 12 . 1 1 2 2 PRO HG2 H 1 2.0230 0.02 . 2 . . . A 68 PRO HG2 . 19482 1 13 . 1 1 2 2 PRO HG3 H 1 1.9500 0.02 . 2 . . . A 68 PRO HG3 . 19482 1 14 . 1 1 2 2 PRO HD2 H 1 3.8810 0.02 . 2 . . . A 68 PRO HD2 . 19482 1 15 . 1 1 2 2 PRO HD3 H 1 3.8150 0.02 . 2 . . . A 68 PRO HD3 . 19482 1 16 . 1 1 2 2 PRO C C 13 177.0950 0.30 . 1 . . . A 68 PRO C . 19482 1 17 . 1 1 2 2 PRO CA C 13 64.2570 0.30 . 1 . . . A 68 PRO CA . 19482 1 18 . 1 1 2 2 PRO CB C 13 32.3880 0.30 . 1 . . . A 68 PRO CB . 19482 1 19 . 1 1 2 2 PRO CG C 13 27.5510 0.30 . 1 . . . A 68 PRO CG . 19482 1 20 . 1 1 2 2 PRO CD C 13 51.0260 0.30 . 1 . . . A 68 PRO CD . 19482 1 21 . 1 1 3 3 LEU H H 1 8.0790 0.02 . 1 . . . A 69 LEU H . 19482 1 22 . 1 1 3 3 LEU HA H 1 4.2380 0.02 . 1 . . . A 69 LEU HA . 19482 1 23 . 1 1 3 3 LEU HB2 H 1 1.6800 0.02 . 2 . . . A 69 LEU HB2 . 19482 1 24 . 1 1 3 3 LEU HG H 1 1.5430 0.02 . 1 . . . A 69 LEU HG . 19482 1 25 . 1 1 3 3 LEU HD11 H 1 0.8680 0.02 . 2 . . . A 69 LEU HD11 . 19482 1 26 . 1 1 3 3 LEU HD12 H 1 0.8680 0.02 . 2 . . . A 69 LEU HD12 . 19482 1 27 . 1 1 3 3 LEU HD13 H 1 0.8680 0.02 . 2 . . . A 69 LEU HD13 . 19482 1 28 . 1 1 3 3 LEU HD21 H 1 0.7130 0.02 . 2 . . . A 69 LEU HD21 . 19482 1 29 . 1 1 3 3 LEU HD22 H 1 0.7130 0.02 . 2 . . . A 69 LEU HD22 . 19482 1 30 . 1 1 3 3 LEU HD23 H 1 0.7130 0.02 . 2 . . . A 69 LEU HD23 . 19482 1 31 . 1 1 3 3 LEU C C 13 177.0950 0.30 . 1 . . . A 69 LEU C . 19482 1 32 . 1 1 3 3 LEU CA C 13 54.8670 0.30 . 1 . . . A 69 LEU CA . 19482 1 33 . 1 1 3 3 LEU CB C 13 41.6360 0.30 . 1 . . . A 69 LEU CB . 19482 1 34 . 1 1 3 3 LEU CG C 13 27.4600 0.30 . 1 . . . A 69 LEU CG . 19482 1 35 . 1 1 3 3 LEU CD1 C 13 25.0150 0.30 . 2 . . . A 69 LEU CD1 . 19482 1 36 . 1 1 3 3 LEU CD2 C 13 23.5650 0.30 . 2 . . . A 69 LEU CD2 . 19482 1 37 . 1 1 3 3 LEU N N 15 118.3480 0.30 . 1 . . . A 69 LEU N . 19482 1 38 . 1 1 4 4 GLU H H 1 7.7030 0.02 . 1 . . . A 70 GLU H . 19482 1 39 . 1 1 4 4 GLU HA H 1 4.0670 0.02 . 1 . . . A 70 GLU HA . 19482 1 40 . 1 1 4 4 GLU HB2 H 1 2.0140 0.02 . 1 . . . A 70 GLU HB2 . 19482 1 41 . 1 1 4 4 GLU HG2 H 1 2.2480 0.02 . 2 . . . A 70 GLU HG2 . 19482 1 42 . 1 1 4 4 GLU C C 13 176.2120 0.30 . 1 . . . A 70 GLU C . 19482 1 43 . 1 1 4 4 GLU CA C 13 57.8490 0.30 . 1 . . . A 70 GLU CA . 19482 1 44 . 1 1 4 4 GLU CB C 13 30.1330 0.30 . 1 . . . A 70 GLU CB . 19482 1 45 . 1 1 4 4 GLU CG C 13 36.2920 0.30 . 1 . . . A 70 GLU CG . 19482 1 46 . 1 1 4 4 GLU N N 15 121.1340 0.30 . 1 . . . A 70 GLU N . 19482 1 47 . 1 1 5 5 ALA H H 1 8.3740 0.02 . 1 . . . A 71 ALA H . 19482 1 48 . 1 1 5 5 ALA HA H 1 4.2420 0.02 . 1 . . . A 71 ALA HA . 19482 1 49 . 1 1 5 5 ALA HB1 H 1 1.4660 0.02 . 1 . . . A 71 ALA HB1 . 19482 1 50 . 1 1 5 5 ALA HB2 H 1 1.4660 0.02 . 1 . . . A 71 ALA HB2 . 19482 1 51 . 1 1 5 5 ALA HB3 H 1 1.4660 0.02 . 1 . . . A 71 ALA HB3 . 19482 1 52 . 1 1 5 5 ALA C C 13 176.8870 0.30 . 1 . . . A 71 ALA C . 19482 1 53 . 1 1 5 5 ALA CA C 13 52.8620 0.30 . 1 . . . A 71 ALA CA . 19482 1 54 . 1 1 5 5 ALA CB C 13 18.8410 0.30 . 1 . . . A 71 ALA CB . 19482 1 55 . 1 1 5 5 ALA N N 15 123.5250 0.30 . 1 . . . A 71 ALA N . 19482 1 56 . 1 1 6 6 VAL H H 1 7.8340 0.02 . 1 . . . A 72 VAL H . 19482 1 57 . 1 1 6 6 VAL HA H 1 4.2580 0.02 . 1 . . . A 72 VAL HA . 19482 1 58 . 1 1 6 6 VAL HB H 1 2.0150 0.02 . 1 . . . A 72 VAL HB . 19482 1 59 . 1 1 6 6 VAL HG21 H 1 0.8460 0.02 . 2 . . . A 72 VAL HG21 . 19482 1 60 . 1 1 6 6 VAL HG22 H 1 0.8460 0.02 . 2 . . . A 72 VAL HG22 . 19482 1 61 . 1 1 6 6 VAL HG23 H 1 0.8460 0.02 . 2 . . . A 72 VAL HG23 . 19482 1 62 . 1 1 6 6 VAL C C 13 175.0180 0.30 . 1 . . . A 72 VAL C . 19482 1 63 . 1 1 6 6 VAL CA C 13 61.9370 0.30 . 1 . . . A 72 VAL CA . 19482 1 64 . 1 1 6 6 VAL CB C 13 33.0660 0.30 . 1 . . . A 72 VAL CB . 19482 1 65 . 1 1 6 6 VAL CG2 C 13 21.7000 0.30 . 2 . . . A 72 VAL CG2 . 19482 1 66 . 1 1 6 6 VAL N N 15 119.6830 0.30 . 1 . . . A 72 VAL N . 19482 1 67 . 1 1 7 7 VAL H H 1 8.1900 0.02 . 1 . . . A 73 VAL H . 19482 1 68 . 1 1 7 7 VAL HA H 1 4.2120 0.02 . 1 . . . A 73 VAL HA . 19482 1 69 . 1 1 7 7 VAL HB H 1 1.9630 0.02 . 1 . . . A 73 VAL HB . 19482 1 70 . 1 1 7 7 VAL HG21 H 1 0.8960 0.02 . 2 . . . A 73 VAL HG21 . 19482 1 71 . 1 1 7 7 VAL HG22 H 1 0.8960 0.02 . 2 . . . A 73 VAL HG22 . 19482 1 72 . 1 1 7 7 VAL HG23 H 1 0.8960 0.02 . 2 . . . A 73 VAL HG23 . 19482 1 73 . 1 1 7 7 VAL C C 13 173.3050 0.30 . 1 . . . A 73 VAL C . 19482 1 74 . 1 1 7 7 VAL CA C 13 61.8370 0.30 . 1 . . . A 73 VAL CA . 19482 1 75 . 1 1 7 7 VAL CB C 13 32.9030 0.30 . 1 . . . A 73 VAL CB . 19482 1 76 . 1 1 7 7 VAL CG2 C 13 20.5070 0.30 . 2 . . . A 73 VAL CG2 . 19482 1 77 . 1 1 7 7 VAL N N 15 125.6870 0.30 . 1 . . . A 73 VAL N . 19482 1 78 . 1 1 8 8 PHE H H 1 7.9820 0.02 . 1 . . . A 74 PHE H . 19482 1 79 . 1 1 8 8 PHE HA H 1 5.0600 0.02 . 1 . . . A 74 PHE HA . 19482 1 80 . 1 1 8 8 PHE HB2 H 1 2.8500 0.02 . 2 . . . A 74 PHE HB2 . 19482 1 81 . 1 1 8 8 PHE HD2 H 1 6.8750 0.02 . 3 . . . A 74 PHE HD2 . 19482 1 82 . 1 1 8 8 PHE HE2 H 1 7.2500 0.02 . 3 . . . A 74 PHE HE2 . 19482 1 83 . 1 1 8 8 PHE C C 13 173.3570 0.30 . 1 . . . A 74 PHE C . 19482 1 84 . 1 1 8 8 PHE CA C 13 55.4700 0.30 . 1 . . . A 74 PHE CA . 19482 1 85 . 1 1 8 8 PHE CB C 13 42.1350 0.30 . 1 . . . A 74 PHE CB . 19482 1 86 . 1 1 8 8 PHE N N 15 120.6570 0.30 . 1 . . . A 74 PHE N . 19482 1 87 . 1 1 9 9 GLU H H 1 8.5120 0.02 . 1 . . . A 75 GLU H . 19482 1 88 . 1 1 9 9 GLU HA H 1 4.5590 0.02 . 1 . . . A 75 GLU HA . 19482 1 89 . 1 1 9 9 GLU HB2 H 1 2.0100 0.02 . 2 . . . A 75 GLU HB2 . 19482 1 90 . 1 1 9 9 GLU HB3 H 1 1.8790 0.02 . 2 . . . A 75 GLU HB3 . 19482 1 91 . 1 1 9 9 GLU HG2 H 1 2.0910 0.02 . 2 . . . A 75 GLU HG2 . 19482 1 92 . 1 1 9 9 GLU HG3 H 1 2.2010 0.02 . 2 . . . A 75 GLU HG3 . 19482 1 93 . 1 1 9 9 GLU C C 13 174.9660 0.30 . 1 . . . A 75 GLU C . 19482 1 94 . 1 1 9 9 GLU CA C 13 54.7760 0.30 . 1 . . . A 75 GLU CA . 19482 1 95 . 1 1 9 9 GLU CB C 13 32.5560 0.30 . 1 . . . A 75 GLU CB . 19482 1 96 . 1 1 9 9 GLU CG C 13 36.2590 0.30 . 1 . . . A 75 GLU CG . 19482 1 97 . 1 1 9 9 GLU N N 15 120.5330 0.30 . 1 . . . A 75 GLU N . 19482 1 98 . 1 1 10 10 GLU H H 1 8.7790 0.02 . 1 . . . A 76 GLU H . 19482 1 99 . 1 1 10 10 GLU HA H 1 5.2760 0.02 . 1 . . . A 76 GLU HA . 19482 1 100 . 1 1 10 10 GLU HB2 H 1 2.0460 0.02 . 2 . . . A 76 GLU HB2 . 19482 1 101 . 1 1 10 10 GLU HB3 H 1 1.9030 0.02 . 2 . . . A 76 GLU HB3 . 19482 1 102 . 1 1 10 10 GLU HG2 H 1 2.1240 0.02 . 2 . . . A 76 GLU HG2 . 19482 1 103 . 1 1 10 10 GLU HG3 H 1 2.2280 0.02 . 2 . . . A 76 GLU HG3 . 19482 1 104 . 1 1 10 10 GLU C C 13 176.0000 0.30 . 1 . . . A 76 GLU C . 19482 1 105 . 1 1 10 10 GLU CA C 13 55.7020 0.30 . 1 . . . A 76 GLU CA . 19482 1 106 . 1 1 10 10 GLU CB C 13 32.0930 0.30 . 1 . . . A 76 GLU CB . 19482 1 107 . 1 1 10 10 GLU CG C 13 37.3010 0.30 . 1 . . . A 76 GLU CG . 19482 1 108 . 1 1 10 10 GLU N N 15 124.1910 0.30 . 1 . . . A 76 GLU N . 19482 1 109 . 1 1 11 11 ARG H H 1 9.0720 0.02 . 1 . . . A 77 ARG H . 19482 1 110 . 1 1 11 11 ARG HA H 1 4.5000 0.02 . 1 . . . A 77 ARG HA . 19482 1 111 . 1 1 11 11 ARG HB2 H 1 1.6260 0.02 . 2 . . . A 77 ARG HB2 . 19482 1 112 . 1 1 11 11 ARG HB3 H 1 1.7370 0.02 . 2 . . . A 77 ARG HB3 . 19482 1 113 . 1 1 11 11 ARG HG2 H 1 1.5450 0.02 . 2 . . . A 77 ARG HG2 . 19482 1 114 . 1 1 11 11 ARG HG3 H 1 1.4440 0.02 . 2 . . . A 77 ARG HG3 . 19482 1 115 . 1 1 11 11 ARG HD2 H 1 3.1520 0.02 . 2 . . . A 77 ARG HD2 . 19482 1 116 . 1 1 11 11 ARG HD3 H 1 3.0870 0.02 . 2 . . . A 77 ARG HD3 . 19482 1 117 . 1 1 11 11 ARG C C 13 175.4860 0.30 . 1 . . . A 77 ARG C . 19482 1 118 . 1 1 11 11 ARG CA C 13 55.7020 0.30 . 1 . . . A 77 ARG CA . 19482 1 119 . 1 1 11 11 ARG CB C 13 32.3240 0.30 . 1 . . . A 77 ARG CB . 19482 1 120 . 1 1 11 11 ARG CG C 13 26.5060 0.30 . 1 . . . A 77 ARG CG . 19482 1 121 . 1 1 11 11 ARG CD C 13 43.5830 0.30 . 1 . . . A 77 ARG CD . 19482 1 122 . 1 1 11 11 ARG N N 15 125.3430 0.30 . 1 . . . A 77 ARG N . 19482 1 123 . 1 1 12 12 ASP H H 1 9.3020 0.02 . 1 . . . A 78 ASP H . 19482 1 124 . 1 1 12 12 ASP HA H 1 4.2760 0.02 . 1 . . . A 78 ASP HA . 19482 1 125 . 1 1 12 12 ASP HB2 H 1 2.8900 0.02 . 2 . . . A 78 ASP HB2 . 19482 1 126 . 1 1 12 12 ASP HB3 H 1 2.5890 0.02 . 2 . . . A 78 ASP HB3 . 19482 1 127 . 1 1 12 12 ASP C C 13 175.2780 0.30 . 1 . . . A 78 ASP C . 19482 1 128 . 1 1 12 12 ASP CA C 13 55.8020 0.30 . 1 . . . A 78 ASP CA . 19482 1 129 . 1 1 12 12 ASP CB C 13 40.1280 0.30 . 1 . . . A 78 ASP CB . 19482 1 130 . 1 1 12 12 ASP N N 15 126.3470 0.30 . 1 . . . A 78 ASP N . 19482 1 131 . 1 1 13 13 GLY H H 1 8.6740 0.02 . 1 . . . A 79 GLY H . 19482 1 132 . 1 1 13 13 GLY HA2 H 1 4.2030 0.02 . 2 . . . A 79 GLY HA2 . 19482 1 133 . 1 1 13 13 GLY HA3 H 1 3.7550 0.02 . 2 . . . A 79 GLY HA3 . 19482 1 134 . 1 1 13 13 GLY C C 13 173.7720 0.30 . 1 . . . A 79 GLY C . 19482 1 135 . 1 1 13 13 GLY CA C 13 45.4020 0.30 . 1 . . . A 79 GLY CA . 19482 1 136 . 1 1 13 13 GLY N N 15 104.8290 0.30 . 1 . . . A 79 GLY N . 19482 1 137 . 1 1 14 14 ASN H H 1 8.1100 0.02 . 1 . . . A 80 ASN H . 19482 1 138 . 1 1 14 14 ASN HA H 1 5.2560 0.02 . 1 . . . A 80 ASN HA . 19482 1 139 . 1 1 14 14 ASN HB2 H 1 2.3580 0.02 . 2 . . . A 80 ASN HB2 . 19482 1 140 . 1 1 14 14 ASN HB3 H 1 2.7650 0.02 . 2 . . . A 80 ASN HB3 . 19482 1 141 . 1 1 14 14 ASN HD21 H 1 7.8100 0.02 . 2 . . . A 80 ASN HD21 . 19482 1 142 . 1 1 14 14 ASN HD22 H 1 6.7200 0.02 . 2 . . . A 80 ASN HD22 . 19482 1 143 . 1 1 14 14 ASN C C 13 173.7720 0.30 . 1 . . . A 80 ASN C . 19482 1 144 . 1 1 14 14 ASN CA C 13 52.1140 0.30 . 1 . . . A 80 ASN CA . 19482 1 145 . 1 1 14 14 ASN CB C 13 40.6570 0.30 . 1 . . . A 80 ASN CB . 19482 1 146 . 1 1 14 14 ASN N N 15 119.3480 0.30 . 1 . . . A 80 ASN N . 19482 1 147 . 1 1 14 14 ASN ND2 N 15 112.4150 0.30 . 1 . . . A 80 ASN ND2 . 19482 1 148 . 1 1 15 15 ALA H H 1 9.2550 0.02 . 1 . . . A 81 ALA H . 19482 1 149 . 1 1 15 15 ALA HA H 1 5.0620 0.02 . 1 . . . A 81 ALA HA . 19482 1 150 . 1 1 15 15 ALA HB1 H 1 0.9370 0.02 . 1 . . . A 81 ALA HB1 . 19482 1 151 . 1 1 15 15 ALA HB2 H 1 0.9370 0.02 . 1 . . . A 81 ALA HB2 . 19482 1 152 . 1 1 15 15 ALA HB3 H 1 0.9370 0.02 . 1 . . . A 81 ALA HB3 . 19482 1 153 . 1 1 15 15 ALA C C 13 175.5890 0.30 . 1 . . . A 81 ALA C . 19482 1 154 . 1 1 15 15 ALA CA C 13 50.7620 0.30 . 1 . . . A 81 ALA CA . 19482 1 155 . 1 1 15 15 ALA CB C 13 21.7930 0.30 . 1 . . . A 81 ALA CB . 19482 1 156 . 1 1 15 15 ALA N N 15 124.3430 0.30 . 1 . . . A 81 ALA N . 19482 1 157 . 1 1 16 16 VAL H H 1 8.8900 0.02 . 1 . . . A 82 VAL H . 19482 1 158 . 1 1 16 16 VAL HA H 1 4.7450 0.02 . 1 . . . A 82 VAL HA . 19482 1 159 . 1 1 16 16 VAL HB H 1 1.8070 0.02 . 1 . . . A 82 VAL HB . 19482 1 160 . 1 1 16 16 VAL HG11 H 1 0.6610 0.02 . 2 . . . A 82 VAL HG11 . 19482 1 161 . 1 1 16 16 VAL HG12 H 1 0.6610 0.02 . 2 . . . A 82 VAL HG12 . 19482 1 162 . 1 1 16 16 VAL HG13 H 1 0.6610 0.02 . 2 . . . A 82 VAL HG13 . 19482 1 163 . 1 1 16 16 VAL HG21 H 1 0.7470 0.02 . 2 . . . A 82 VAL HG21 . 19482 1 164 . 1 1 16 16 VAL HG22 H 1 0.7470 0.02 . 2 . . . A 82 VAL HG22 . 19482 1 165 . 1 1 16 16 VAL HG23 H 1 0.7470 0.02 . 2 . . . A 82 VAL HG23 . 19482 1 166 . 1 1 16 16 VAL C C 13 175.6930 0.30 . 1 . . . A 82 VAL C . 19482 1 167 . 1 1 16 16 VAL CA C 13 60.8570 0.30 . 1 . . . A 82 VAL CA . 19482 1 168 . 1 1 16 16 VAL CB C 13 33.4820 0.30 . 1 . . . A 82 VAL CB . 19482 1 169 . 1 1 16 16 VAL CG1 C 13 20.6190 0.30 . 2 . . . A 82 VAL CG1 . 19482 1 170 . 1 1 16 16 VAL CG2 C 13 21.1000 0.30 . 2 . . . A 82 VAL CG2 . 19482 1 171 . 1 1 16 16 VAL N N 15 121.2190 0.30 . 1 . . . A 82 VAL N . 19482 1 172 . 1 1 17 17 LEU H H 1 8.3670 0.02 . 1 . . . A 83 LEU H . 19482 1 173 . 1 1 17 17 LEU HA H 1 4.6800 0.02 . 1 . . . A 83 LEU HA . 19482 1 174 . 1 1 17 17 LEU HB2 H 1 1.7270 0.02 . 2 . . . A 83 LEU HB2 . 19482 1 175 . 1 1 17 17 LEU HB3 H 1 1.5300 0.02 . 2 . . . A 83 LEU HB3 . 19482 1 176 . 1 1 17 17 LEU HG H 1 1.0680 0.02 . 1 . . . A 83 LEU HG . 19482 1 177 . 1 1 17 17 LEU HD11 H 1 0.6560 0.02 . 2 . . . A 83 LEU HD11 . 19482 1 178 . 1 1 17 17 LEU HD12 H 1 0.6560 0.02 . 2 . . . A 83 LEU HD12 . 19482 1 179 . 1 1 17 17 LEU HD13 H 1 0.6560 0.02 . 2 . . . A 83 LEU HD13 . 19482 1 180 . 1 1 17 17 LEU HD21 H 1 0.3430 0.02 . 2 . . . A 83 LEU HD21 . 19482 1 181 . 1 1 17 17 LEU HD22 H 1 0.3430 0.02 . 2 . . . A 83 LEU HD22 . 19482 1 182 . 1 1 17 17 LEU HD23 H 1 0.3430 0.02 . 2 . . . A 83 LEU HD23 . 19482 1 183 . 1 1 17 17 LEU C C 13 172.2150 0.30 . 1 . . . A 83 LEU C . 19482 1 184 . 1 1 17 17 LEU CA C 13 55.7160 0.30 . 1 . . . A 83 LEU CA . 19482 1 185 . 1 1 17 17 LEU CB C 13 44.4760 0.30 . 1 . . . A 83 LEU CB . 19482 1 186 . 1 1 17 17 LEU CG C 13 27.4640 0.30 . 1 . . . A 83 LEU CG . 19482 1 187 . 1 1 17 17 LEU CD1 C 13 27.6040 0.30 . 2 . . . A 83 LEU CD1 . 19482 1 188 . 1 1 17 17 LEU CD2 C 13 25.6000 0.30 . 2 . . . A 83 LEU CD2 . 19482 1 189 . 1 1 17 17 LEU N N 15 125.9500 0.30 . 1 . . . A 83 LEU N . 19482 1 190 . 1 1 18 18 ASN H H 1 8.2720 0.02 . 1 . . . A 84 ASN H . 19482 1 191 . 1 1 18 18 ASN HA H 1 5.5680 0.02 . 1 . . . A 84 ASN HA . 19482 1 192 . 1 1 18 18 ASN HB2 H 1 2.3530 0.02 . 2 . . . A 84 ASN HB2 . 19482 1 193 . 1 1 18 18 ASN HB3 H 1 2.8390 0.02 . 2 . . . A 84 ASN HB3 . 19482 1 194 . 1 1 18 18 ASN HD21 H 1 7.5400 0.02 . 2 . . . A 84 ASN HD21 . 19482 1 195 . 1 1 18 18 ASN HD22 H 1 6.8100 0.02 . 2 . . . A 84 ASN HD22 . 19482 1 196 . 1 1 18 18 ASN C C 13 175.0180 0.30 . 1 . . . A 84 ASN C . 19482 1 197 . 1 1 18 18 ASN CA C 13 50.6310 0.30 . 1 . . . A 84 ASN CA . 19482 1 198 . 1 1 18 18 ASN CB C 13 41.0690 0.30 . 1 . . . A 84 ASN CB . 19482 1 199 . 1 1 18 18 ASN N N 15 115.7060 0.30 . 1 . . . A 84 ASN N . 19482 1 200 . 1 1 18 18 ASN ND2 N 15 112.0000 0.30 . 1 . . . A 84 ASN ND2 . 19482 1 201 . 1 1 19 19 LEU H H 1 9.2220 0.02 . 1 . . . A 85 LEU H . 19482 1 202 . 1 1 19 19 LEU HA H 1 5.1150 0.02 . 1 . . . A 85 LEU HA . 19482 1 203 . 1 1 19 19 LEU HB2 H 1 1.6320 0.02 . 2 . . . A 85 LEU HB2 . 19482 1 204 . 1 1 19 19 LEU HB3 H 1 1.7970 0.02 . 2 . . . A 85 LEU HB3 . 19482 1 205 . 1 1 19 19 LEU HG H 1 1.8820 0.02 . 1 . . . A 85 LEU HG . 19482 1 206 . 1 1 19 19 LEU HD11 H 1 0.9000 0.02 . 2 . . . A 85 LEU HD11 . 19482 1 207 . 1 1 19 19 LEU HD12 H 1 0.9000 0.02 . 2 . . . A 85 LEU HD12 . 19482 1 208 . 1 1 19 19 LEU HD13 H 1 0.9000 0.02 . 2 . . . A 85 LEU HD13 . 19482 1 209 . 1 1 19 19 LEU HD21 H 1 0.8600 0.02 . 2 . . . A 85 LEU HD21 . 19482 1 210 . 1 1 19 19 LEU HD22 H 1 0.8600 0.02 . 2 . . . A 85 LEU HD22 . 19482 1 211 . 1 1 19 19 LEU HD23 H 1 0.8600 0.02 . 2 . . . A 85 LEU HD23 . 19482 1 212 . 1 1 19 19 LEU C C 13 173.9800 0.30 . 1 . . . A 85 LEU C . 19482 1 213 . 1 1 19 19 LEU CA C 13 53.6260 0.30 . 1 . . . A 85 LEU CA . 19482 1 214 . 1 1 19 19 LEU CB C 13 48.7210 0.30 . 1 . . . A 85 LEU CB . 19482 1 215 . 1 1 19 19 LEU CG C 13 26.9550 0.30 . 1 . . . A 85 LEU CG . 19482 1 216 . 1 1 19 19 LEU CD1 C 13 24.5000 0.30 . 2 . . . A 85 LEU CD1 . 19482 1 217 . 1 1 19 19 LEU CD2 C 13 25.4000 0.30 . 2 . . . A 85 LEU CD2 . 19482 1 218 . 1 1 19 19 LEU N N 15 123.2300 0.30 . 1 . . . A 85 LEU N . 19482 1 219 . 1 1 20 20 LEU H H 1 8.9920 0.02 . 1 . . . A 86 LEU H . 19482 1 220 . 1 1 20 20 LEU HA H 1 5.8020 0.02 . 1 . . . A 86 LEU HA . 19482 1 221 . 1 1 20 20 LEU HB2 H 1 1.4390 0.02 . 2 . . . A 86 LEU HB2 . 19482 1 222 . 1 1 20 20 LEU HB3 H 1 1.4690 0.02 . 2 . . . A 86 LEU HB3 . 19482 1 223 . 1 1 20 20 LEU HG H 1 1.5860 0.02 . 1 . . . A 86 LEU HG . 19482 1 224 . 1 1 20 20 LEU HD11 H 1 0.9130 0.02 . 2 . . . A 86 LEU HD11 . 19482 1 225 . 1 1 20 20 LEU HD12 H 1 0.9130 0.02 . 2 . . . A 86 LEU HD12 . 19482 1 226 . 1 1 20 20 LEU HD13 H 1 0.9130 0.02 . 2 . . . A 86 LEU HD13 . 19482 1 227 . 1 1 20 20 LEU HD21 H 1 0.9750 0.02 . 2 . . . A 86 LEU HD21 . 19482 1 228 . 1 1 20 20 LEU HD22 H 1 0.9750 0.02 . 2 . . . A 86 LEU HD22 . 19482 1 229 . 1 1 20 20 LEU HD23 H 1 0.9750 0.02 . 2 . . . A 86 LEU HD23 . 19482 1 230 . 1 1 20 20 LEU C C 13 176.1600 0.30 . 1 . . . A 86 LEU C . 19482 1 231 . 1 1 20 20 LEU CA C 13 53.4630 0.30 . 1 . . . A 86 LEU CA . 19482 1 232 . 1 1 20 20 LEU CB C 13 47.2860 0.30 . 1 . . . A 86 LEU CB . 19482 1 233 . 1 1 20 20 LEU CG C 13 27.7050 0.30 . 1 . . . A 86 LEU CG . 19482 1 234 . 1 1 20 20 LEU CD1 C 13 25.7000 0.30 . 2 . . . A 86 LEU CD1 . 19482 1 235 . 1 1 20 20 LEU CD2 C 13 25.3960 0.30 . 2 . . . A 86 LEU CD2 . 19482 1 236 . 1 1 20 20 LEU N N 15 122.4460 0.30 . 1 . . . A 86 LEU N . 19482 1 237 . 1 1 21 21 PHE H H 1 8.5970 0.02 . 1 . . . A 87 PHE H . 19482 1 238 . 1 1 21 21 PHE HA H 1 5.2740 0.02 . 1 . . . A 87 PHE HA . 19482 1 239 . 1 1 21 21 PHE HB2 H 1 3.1020 0.02 . 2 . . . A 87 PHE HB2 . 19482 1 240 . 1 1 21 21 PHE HB3 H 1 3.4000 0.02 . 2 . . . A 87 PHE HB3 . 19482 1 241 . 1 1 21 21 PHE HD1 H 1 6.8660 0.02 . 3 . . . A 87 PHE HD1 . 19482 1 242 . 1 1 21 21 PHE HE1 H 1 6.9700 0.02 . 3 . . . A 87 PHE HE1 . 19482 1 243 . 1 1 21 21 PHE C C 13 173.0450 0.30 . 1 . . . A 87 PHE C . 19482 1 244 . 1 1 21 21 PHE CA C 13 56.6650 0.30 . 1 . . . A 87 PHE CA . 19482 1 245 . 1 1 21 21 PHE CB C 13 41.7800 0.30 . 1 . . . A 87 PHE CB . 19482 1 246 . 1 1 21 21 PHE N N 15 114.2940 0.30 . 1 . . . A 87 PHE N . 19482 1 247 . 1 1 22 22 SER H H 1 9.3820 0.02 . 1 . . . A 88 SER H . 19482 1 248 . 1 1 22 22 SER HA H 1 5.2340 0.02 . 1 . . . A 88 SER HA . 19482 1 249 . 1 1 22 22 SER HB2 H 1 4.1510 0.02 . 2 . . . A 88 SER HB2 . 19482 1 250 . 1 1 22 22 SER HB3 H 1 4.0440 0.02 . 2 . . . A 88 SER HB3 . 19482 1 251 . 1 1 22 22 SER C C 13 173.8700 0.30 . 1 . . . A 88 SER C . 19482 1 252 . 1 1 22 22 SER CA C 13 56.6110 0.30 . 1 . . . A 88 SER CA . 19482 1 253 . 1 1 22 22 SER CB C 13 66.6030 0.30 . 1 . . . A 88 SER CB . 19482 1 254 . 1 1 22 22 SER N N 15 115.3770 0.30 . 1 . . . A 88 SER N . 19482 1 255 . 1 1 23 23 LEU H H 1 9.1960 0.02 . 1 . . . A 89 LEU H . 19482 1 256 . 1 1 23 23 LEU HA H 1 5.0000 0.02 . 1 . . . A 89 LEU HA . 19482 1 257 . 1 1 23 23 LEU HB2 H 1 1.7030 0.02 . 2 . . . A 89 LEU HB2 . 19482 1 258 . 1 1 23 23 LEU HB3 H 1 1.8540 0.02 . 2 . . . A 89 LEU HB3 . 19482 1 259 . 1 1 23 23 LEU HD11 H 1 0.8720 0.02 . 2 . . . A 89 LEU HD11 . 19482 1 260 . 1 1 23 23 LEU HD12 H 1 0.8720 0.02 . 2 . . . A 89 LEU HD12 . 19482 1 261 . 1 1 23 23 LEU HD13 H 1 0.8720 0.02 . 2 . . . A 89 LEU HD13 . 19482 1 262 . 1 1 23 23 LEU HD21 H 1 0.7520 0.02 . 2 . . . A 89 LEU HD21 . 19482 1 263 . 1 1 23 23 LEU HD22 H 1 0.7520 0.02 . 2 . . . A 89 LEU HD22 . 19482 1 264 . 1 1 23 23 LEU HD23 H 1 0.7520 0.02 . 2 . . . A 89 LEU HD23 . 19482 1 265 . 1 1 23 23 LEU C C 13 176.9900 0.30 . 1 . . . A 89 LEU C . 19482 1 266 . 1 1 23 23 LEU CA C 13 53.7620 0.30 . 1 . . . A 89 LEU CA . 19482 1 267 . 1 1 23 23 LEU CB C 13 42.4000 0.30 . 1 . . . A 89 LEU CB . 19482 1 268 . 1 1 23 23 LEU CD1 C 13 26.0000 0.30 . 2 . . . A 89 LEU CD1 . 19482 1 269 . 1 1 23 23 LEU CD2 C 13 26.0000 0.30 . 2 . . . A 89 LEU CD2 . 19482 1 270 . 1 1 23 23 LEU N N 15 122.4010 0.30 . 1 . . . A 89 LEU N . 19482 1 271 . 1 1 24 24 ARG H H 1 8.4710 0.02 . 1 . . . A 90 ARG H . 19482 1 272 . 1 1 24 24 ARG HA H 1 4.3660 0.02 . 1 . . . A 90 ARG HA . 19482 1 273 . 1 1 24 24 ARG HB2 H 1 1.6790 0.02 . 2 . . . A 90 ARG HB2 . 19482 1 274 . 1 1 24 24 ARG HB3 H 1 1.8250 0.02 . 2 . . . A 90 ARG HB3 . 19482 1 275 . 1 1 24 24 ARG HG2 H 1 1.5410 0.02 . 2 . . . A 90 ARG HG2 . 19482 1 276 . 1 1 24 24 ARG HD2 H 1 3.1500 0.02 . 2 . . . A 90 ARG HD2 . 19482 1 277 . 1 1 24 24 ARG C C 13 176.9910 0.30 . 1 . . . A 90 ARG C . 19482 1 278 . 1 1 24 24 ARG CA C 13 56.4000 0.30 . 1 . . . A 90 ARG CA . 19482 1 279 . 1 1 24 24 ARG CB C 13 31.3000 0.30 . 1 . . . A 90 ARG CB . 19482 1 280 . 1 1 24 24 ARG CG C 13 27.6400 0.30 . 1 . . . A 90 ARG CG . 19482 1 281 . 1 1 24 24 ARG CD C 13 43.5770 0.30 . 1 . . . A 90 ARG CD . 19482 1 282 . 1 1 24 24 ARG N N 15 120.8420 0.30 . 1 . . . A 90 ARG N . 19482 1 283 . 1 1 25 25 GLY H H 1 8.4230 0.02 . 1 . . . A 91 GLY H . 19482 1 284 . 1 1 25 25 GLY HA2 H 1 3.9800 0.02 . 2 . . . A 91 GLY HA2 . 19482 1 285 . 1 1 25 25 GLY HA3 H 1 4.1270 0.02 . 2 . . . A 91 GLY HA3 . 19482 1 286 . 1 1 25 25 GLY C C 13 174.0320 0.30 . 1 . . . A 91 GLY C . 19482 1 287 . 1 1 25 25 GLY CA C 13 45.3210 0.30 . 1 . . . A 91 GLY CA . 19482 1 288 . 1 1 25 25 GLY N N 15 109.0680 0.30 . 1 . . . A 91 GLY N . 19482 1 289 . 1 1 26 26 THR H H 1 7.5030 0.02 . 1 . . . A 92 THR H . 19482 1 290 . 1 1 26 26 THR HA H 1 4.3200 0.02 . 1 . . . A 92 THR HA . 19482 1 291 . 1 1 26 26 THR HB H 1 4.0500 0.02 . 1 . . . A 92 THR HB . 19482 1 292 . 1 1 26 26 THR HG21 H 1 1.1500 0.02 . 1 . . . A 92 THR HG21 . 19482 1 293 . 1 1 26 26 THR HG22 H 1 1.1500 0.02 . 1 . . . A 92 THR HG22 . 19482 1 294 . 1 1 26 26 THR HG23 H 1 1.1500 0.02 . 1 . . . A 92 THR HG23 . 19482 1 295 . 1 1 26 26 THR C C 13 173.5130 0.30 . 1 . . . A 92 THR C . 19482 1 296 . 1 1 26 26 THR CA C 13 61.1080 0.30 . 1 . . . A 92 THR CA . 19482 1 297 . 1 1 26 26 THR CB C 13 71.0000 0.30 . 1 . . . A 92 THR CB . 19482 1 298 . 1 1 26 26 THR CG2 C 13 21.4850 0.30 . 1 . . . A 92 THR CG2 . 19482 1 299 . 1 1 26 26 THR N N 15 113.5250 0.30 . 1 . . . A 92 THR N . 19482 1 300 . 1 1 29 29 SER H H 1 8.8510 0.02 . 1 . . . A 95 SER H . 19482 1 301 . 1 1 29 29 SER HA H 1 4.4670 0.02 . 1 . . . A 95 SER HA . 19482 1 302 . 1 1 29 29 SER HB2 H 1 3.8620 0.02 . 2 . . . A 95 SER HB2 . 19482 1 303 . 1 1 29 29 SER C C 13 173.9800 0.30 . 1 . . . A 95 SER C . 19482 1 304 . 1 1 29 29 SER CA C 13 57.9150 0.30 . 1 . . . A 95 SER CA . 19482 1 305 . 1 1 29 29 SER CB C 13 63.3000 0.30 . 1 . . . A 95 SER CB . 19482 1 306 . 1 1 30 30 SER H H 1 7.8780 0.02 . 1 . . . A 96 SER H . 19482 1 307 . 1 1 30 30 SER HA H 1 4.6200 0.02 . 1 . . . A 96 SER HA . 19482 1 308 . 1 1 30 30 SER HB2 H 1 3.9250 0.02 . 2 . . . A 96 SER HB2 . 19482 1 309 . 1 1 30 30 SER HB3 H 1 3.6990 0.02 . 2 . . . A 96 SER HB3 . 19482 1 310 . 1 1 30 30 SER C C 13 174.3950 0.30 . 1 . . . A 96 SER C . 19482 1 311 . 1 1 30 30 SER CA C 13 56.9330 0.30 . 1 . . . A 96 SER CA . 19482 1 312 . 1 1 30 30 SER CB C 13 64.4640 0.30 . 1 . . . A 96 SER CB . 19482 1 313 . 1 1 30 30 SER N N 15 117.1320 0.30 . 1 . . . A 96 SER N . 19482 1 314 . 1 1 31 31 LEU H H 1 8.6700 0.02 . 1 . . . A 97 LEU H . 19482 1 315 . 1 1 31 31 LEU HA H 1 3.9760 0.02 . 1 . . . A 97 LEU HA . 19482 1 316 . 1 1 31 31 LEU HB2 H 1 1.7720 0.02 . 2 . . . A 97 LEU HB2 . 19482 1 317 . 1 1 31 31 LEU HB3 H 1 1.2250 0.02 . 2 . . . A 97 LEU HB3 . 19482 1 318 . 1 1 31 31 LEU HG H 1 1.2560 0.02 . 1 . . . A 97 LEU HG . 19482 1 319 . 1 1 31 31 LEU HD11 H 1 0.7400 0.02 . 2 . . . A 97 LEU HD11 . 19482 1 320 . 1 1 31 31 LEU HD12 H 1 0.7400 0.02 . 2 . . . A 97 LEU HD12 . 19482 1 321 . 1 1 31 31 LEU HD13 H 1 0.7400 0.02 . 2 . . . A 97 LEU HD13 . 19482 1 322 . 1 1 31 31 LEU HD21 H 1 0.3150 0.02 . 2 . . . A 97 LEU HD21 . 19482 1 323 . 1 1 31 31 LEU HD22 H 1 0.3150 0.02 . 2 . . . A 97 LEU HD22 . 19482 1 324 . 1 1 31 31 LEU HD23 H 1 0.3150 0.02 . 2 . . . A 97 LEU HD23 . 19482 1 325 . 1 1 31 31 LEU CA C 13 57.8390 0.30 . 1 . . . A 97 LEU CA . 19482 1 326 . 1 1 31 31 LEU CB C 13 40.1050 0.30 . 1 . . . A 97 LEU CB . 19482 1 327 . 1 1 31 31 LEU CG C 13 27.3920 0.30 . 1 . . . A 97 LEU CG . 19482 1 328 . 1 1 31 31 LEU CD1 C 13 24.8540 0.30 . 2 . . . A 97 LEU CD1 . 19482 1 329 . 1 1 31 31 LEU CD2 C 13 21.4810 0.30 . 2 . . . A 97 LEU CD2 . 19482 1 330 . 1 1 31 31 LEU N N 15 125.2380 0.30 . 1 . . . A 97 LEU N . 19482 1 331 . 1 1 32 32 SER H H 1 9.9560 0.02 . 1 . . . A 98 SER H . 19482 1 332 . 1 1 32 32 SER HA H 1 3.4350 0.02 . 1 . . . A 98 SER HA . 19482 1 333 . 1 1 32 32 SER HB2 H 1 3.6470 0.02 . 2 . . . A 98 SER HB2 . 19482 1 334 . 1 1 32 32 SER C C 13 176.8350 0.30 . 1 . . . A 98 SER C . 19482 1 335 . 1 1 32 32 SER CA C 13 62.7470 0.30 . 1 . . . A 98 SER CA . 19482 1 336 . 1 1 32 32 SER CB C 13 61.0650 0.30 . 1 . . . A 98 SER CB . 19482 1 337 . 1 1 32 32 SER N N 15 117.0770 0.30 . 1 . . . A 98 SER N . 19482 1 338 . 1 1 33 33 ARG H H 1 7.4520 0.02 . 1 . . . A 99 ARG H . 19482 1 339 . 1 1 33 33 ARG HA H 1 3.8720 0.02 . 1 . . . A 99 ARG HA . 19482 1 340 . 1 1 33 33 ARG HB2 H 1 1.8570 0.02 . 2 . . . A 99 ARG HB2 . 19482 1 341 . 1 1 33 33 ARG HB3 H 1 1.7830 0.02 . 2 . . . A 99 ARG HB3 . 19482 1 342 . 1 1 33 33 ARG HG2 H 1 1.6740 0.02 . 2 . . . A 99 ARG HG2 . 19482 1 343 . 1 1 33 33 ARG HG3 H 1 1.5210 0.02 . 2 . . . A 99 ARG HG3 . 19482 1 344 . 1 1 33 33 ARG HD2 H 1 3.1740 0.02 . 2 . . . A 99 ARG HD2 . 19482 1 345 . 1 1 33 33 ARG C C 13 178.3930 0.30 . 1 . . . A 99 ARG C . 19482 1 346 . 1 1 33 33 ARG CA C 13 59.2990 0.30 . 1 . . . A 99 ARG CA . 19482 1 347 . 1 1 33 33 ARG CB C 13 30.1390 0.30 . 1 . . . A 99 ARG CB . 19482 1 348 . 1 1 33 33 ARG CG C 13 27.0100 0.30 . 1 . . . A 99 ARG CG . 19482 1 349 . 1 1 33 33 ARG CD C 13 44.4780 0.30 . 1 . . . A 99 ARG CD . 19482 1 350 . 1 1 33 33 ARG N N 15 121.9530 0.30 . 1 . . . A 99 ARG N . 19482 1 351 . 1 1 34 34 ALA H H 1 7.6400 0.02 . 1 . . . A 100 ALA H . 19482 1 352 . 1 1 34 34 ALA HA H 1 3.9040 0.02 . 1 . . . A 100 ALA HA . 19482 1 353 . 1 1 34 34 ALA HB1 H 1 1.1990 0.02 . 1 . . . A 100 ALA HB1 . 19482 1 354 . 1 1 34 34 ALA HB2 H 1 1.1990 0.02 . 1 . . . A 100 ALA HB2 . 19482 1 355 . 1 1 34 34 ALA HB3 H 1 1.1990 0.02 . 1 . . . A 100 ALA HB3 . 19482 1 356 . 1 1 34 34 ALA C C 13 178.9640 0.30 . 1 . . . A 100 ALA C . 19482 1 357 . 1 1 34 34 ALA CA C 13 55.2190 0.30 . 1 . . . A 100 ALA CA . 19482 1 358 . 1 1 34 34 ALA CB C 13 18.0020 0.30 . 1 . . . A 100 ALA CB . 19482 1 359 . 1 1 34 34 ALA N N 15 121.4670 0.30 . 1 . . . A 100 ALA N . 19482 1 360 . 1 1 35 35 VAL H H 1 8.5100 0.02 . 1 . . . A 101 VAL H . 19482 1 361 . 1 1 35 35 VAL HA H 1 3.6890 0.02 . 1 . . . A 101 VAL HA . 19482 1 362 . 1 1 35 35 VAL HB H 1 1.8910 0.02 . 1 . . . A 101 VAL HB . 19482 1 363 . 1 1 35 35 VAL HG21 H 1 0.7630 0.02 . 2 . . . A 101 VAL HG21 . 19482 1 364 . 1 1 35 35 VAL HG22 H 1 0.7630 0.02 . 2 . . . A 101 VAL HG22 . 19482 1 365 . 1 1 35 35 VAL HG23 H 1 0.7630 0.02 . 2 . . . A 101 VAL HG23 . 19482 1 366 . 1 1 35 35 VAL C C 13 178.0810 0.30 . 1 . . . A 101 VAL C . 19482 1 367 . 1 1 35 35 VAL CA C 13 66.5980 0.30 . 1 . . . A 101 VAL CA . 19482 1 368 . 1 1 35 35 VAL CB C 13 31.1000 0.30 . 1 . . . A 101 VAL CB . 19482 1 369 . 1 1 35 35 VAL CG2 C 13 21.8000 0.30 . 2 . . . A 101 VAL CG2 . 19482 1 370 . 1 1 35 35 VAL N N 15 114.3000 0.30 . 1 . . . A 101 VAL N . 19482 1 371 . 1 1 36 36 LYS H H 1 8.0400 0.02 . 1 . . . A 102 LYS H . 19482 1 372 . 1 1 36 36 LYS HA H 1 4.0810 0.02 . 1 . . . A 102 LYS HA . 19482 1 373 . 1 1 36 36 LYS HB2 H 1 1.8890 0.02 . 2 . . . A 102 LYS HB2 . 19482 1 374 . 1 1 36 36 LYS HG2 H 1 1.4330 0.02 . 2 . . . A 102 LYS HG2 . 19482 1 375 . 1 1 36 36 LYS HD2 H 1 1.6270 0.02 . 2 . . . A 102 LYS HD2 . 19482 1 376 . 1 1 36 36 LYS HD3 H 1 1.6970 0.02 . 2 . . . A 102 LYS HD3 . 19482 1 377 . 1 1 36 36 LYS HE2 H 1 2.8380 0.02 . 2 . . . A 102 LYS HE2 . 19482 1 378 . 1 1 36 36 LYS HE3 H 1 2.9370 0.02 . 2 . . . A 102 LYS HE3 . 19482 1 379 . 1 1 36 36 LYS C C 13 178.4970 0.30 . 1 . . . A 102 LYS C . 19482 1 380 . 1 1 36 36 LYS CA C 13 58.4550 0.30 . 1 . . . A 102 LYS CA . 19482 1 381 . 1 1 36 36 LYS CB C 13 32.3470 0.30 . 1 . . . A 102 LYS CB . 19482 1 382 . 1 1 36 36 LYS CG C 13 24.9140 0.30 . 1 . . . A 102 LYS CG . 19482 1 383 . 1 1 36 36 LYS CD C 13 29.2020 0.30 . 1 . . . A 102 LYS CD . 19482 1 384 . 1 1 36 36 LYS CE C 13 42.0660 0.30 . 1 . . . A 102 LYS CE . 19482 1 385 . 1 1 36 36 LYS N N 15 119.9000 0.30 . 1 . . . A 102 LYS N . 19482 1 386 . 1 1 37 37 VAL H H 1 7.3340 0.02 . 1 . . . A 103 VAL H . 19482 1 387 . 1 1 37 37 VAL HA H 1 3.5600 0.02 . 1 . . . A 103 VAL HA . 19482 1 388 . 1 1 37 37 VAL HB H 1 1.8590 0.02 . 1 . . . A 103 VAL HB . 19482 1 389 . 1 1 37 37 VAL HG11 H 1 0.8470 0.02 . 2 . . . A 103 VAL HG11 . 19482 1 390 . 1 1 37 37 VAL HG12 H 1 0.8470 0.02 . 2 . . . A 103 VAL HG12 . 19482 1 391 . 1 1 37 37 VAL HG13 H 1 0.8470 0.02 . 2 . . . A 103 VAL HG13 . 19482 1 392 . 1 1 37 37 VAL HG21 H 1 0.5720 0.02 . 2 . . . A 103 VAL HG21 . 19482 1 393 . 1 1 37 37 VAL HG22 H 1 0.5720 0.02 . 2 . . . A 103 VAL HG22 . 19482 1 394 . 1 1 37 37 VAL HG23 H 1 0.5720 0.02 . 2 . . . A 103 VAL HG23 . 19482 1 395 . 1 1 37 37 VAL C C 13 177.7180 0.30 . 1 . . . A 103 VAL C . 19482 1 396 . 1 1 37 37 VAL CA C 13 67.2650 0.30 . 1 . . . A 103 VAL CA . 19482 1 397 . 1 1 37 37 VAL CB C 13 31.0600 0.30 . 1 . . . A 103 VAL CB . 19482 1 398 . 1 1 37 37 VAL CG1 C 13 22.8000 0.30 . 2 . . . A 103 VAL CG1 . 19482 1 399 . 1 1 37 37 VAL CG2 C 13 22.7700 0.30 . 2 . . . A 103 VAL CG2 . 19482 1 400 . 1 1 37 37 VAL N N 15 119.4500 0.30 . 1 . . . A 103 VAL N . 19482 1 401 . 1 1 38 38 PHE H H 1 6.9330 0.02 . 1 . . . A 104 PHE H . 19482 1 402 . 1 1 38 38 PHE HA H 1 3.6990 0.02 . 1 . . . A 104 PHE HA . 19482 1 403 . 1 1 38 38 PHE HB2 H 1 2.8020 0.02 . 2 . . . A 104 PHE HB2 . 19482 1 404 . 1 1 38 38 PHE HB3 H 1 3.1650 0.02 . 2 . . . A 104 PHE HB3 . 19482 1 405 . 1 1 38 38 PHE HD2 H 1 6.7400 0.02 . 3 . . . A 104 PHE HD2 . 19482 1 406 . 1 1 38 38 PHE HE2 H 1 6.7000 0.02 . 3 . . . A 104 PHE HE2 . 19482 1 407 . 1 1 38 38 PHE C C 13 177.9800 0.30 . 1 . . . A 104 PHE C . 19482 1 408 . 1 1 38 38 PHE CA C 13 62.4170 0.30 . 1 . . . A 104 PHE CA . 19482 1 409 . 1 1 38 38 PHE CB C 13 37.8420 0.30 . 1 . . . A 104 PHE CB . 19482 1 410 . 1 1 38 38 PHE N N 15 115.6450 0.30 . 1 . . . A 104 PHE N . 19482 1 411 . 1 1 39 39 GLU H H 1 7.6990 0.02 . 1 . . . A 105 GLU H . 19482 1 412 . 1 1 39 39 GLU HA H 1 4.2100 0.02 . 1 . . . A 105 GLU HA . 19482 1 413 . 1 1 39 39 GLU HB2 H 1 2.4400 0.02 . 2 . . . A 105 GLU HB2 . 19482 1 414 . 1 1 39 39 GLU C C 13 181.0930 0.30 . 1 . . . A 105 GLU C . 19482 1 415 . 1 1 39 39 GLU CA C 13 58.5000 0.30 . 1 . . . A 105 GLU CA . 19482 1 416 . 1 1 39 39 GLU N N 15 117.4440 0.30 . 1 . . . A 105 GLU N . 19482 1 417 . 1 1 40 40 THR H H 1 8.7220 0.02 . 1 . . . A 106 THR H . 19482 1 418 . 1 1 40 40 THR HA H 1 3.7850 0.02 . 1 . . . A 106 THR HA . 19482 1 419 . 1 1 40 40 THR HB H 1 4.2020 0.02 . 1 . . . A 106 THR HB . 19482 1 420 . 1 1 40 40 THR HG21 H 1 0.7380 0.02 . 1 . . . A 106 THR HG21 . 19482 1 421 . 1 1 40 40 THR HG22 H 1 0.7380 0.02 . 1 . . . A 106 THR HG22 . 19482 1 422 . 1 1 40 40 THR HG23 H 1 0.7380 0.02 . 1 . . . A 106 THR HG23 . 19482 1 423 . 1 1 40 40 THR C C 13 175.0700 0.30 . 1 . . . A 106 THR C . 19482 1 424 . 1 1 40 40 THR CA C 13 66.5260 0.30 . 1 . . . A 106 THR CA . 19482 1 425 . 1 1 40 40 THR CB C 13 68.9650 0.30 . 1 . . . A 106 THR CB . 19482 1 426 . 1 1 40 40 THR CG2 C 13 20.7000 0.30 . 1 . . . A 106 THR CG2 . 19482 1 427 . 1 1 40 40 THR N N 15 119.3000 0.30 . 1 . . . A 106 THR N . 19482 1 428 . 1 1 41 41 PHE H H 1 7.1940 0.02 . 1 . . . A 107 PHE H . 19482 1 429 . 1 1 41 41 PHE HA H 1 4.3060 0.02 . 1 . . . A 107 PHE HA . 19482 1 430 . 1 1 41 41 PHE HB2 H 1 2.4840 0.02 . 2 . . . A 107 PHE HB2 . 19482 1 431 . 1 1 41 41 PHE HB3 H 1 3.3520 0.02 . 2 . . . A 107 PHE HB3 . 19482 1 432 . 1 1 41 41 PHE HD2 H 1 7.3470 0.02 . 3 . . . A 107 PHE HD2 . 19482 1 433 . 1 1 41 41 PHE HE2 H 1 7.1600 0.02 . 3 . . . A 107 PHE HE2 . 19482 1 434 . 1 1 41 41 PHE C C 13 173.1390 0.30 . 1 . . . A 107 PHE C . 19482 1 435 . 1 1 41 41 PHE CA C 13 59.1530 0.30 . 1 . . . A 107 PHE CA . 19482 1 436 . 1 1 41 41 PHE CB C 13 39.8470 0.30 . 1 . . . A 107 PHE CB . 19482 1 437 . 1 1 41 41 PHE N N 15 117.0040 0.30 . 1 . . . A 107 PHE N . 19482 1 438 . 1 1 42 42 GLU H H 1 7.9470 0.02 . 1 . . . A 108 GLU H . 19482 1 439 . 1 1 42 42 GLU HA H 1 3.8720 0.02 . 1 . . . A 108 GLU HA . 19482 1 440 . 1 1 42 42 GLU HB2 H 1 2.1410 0.02 . 2 . . . A 108 GLU HB2 . 19482 1 441 . 1 1 42 42 GLU HB3 H 1 2.2030 0.02 . 2 . . . A 108 GLU HB3 . 19482 1 442 . 1 1 42 42 GLU HG2 H 1 2.1990 0.02 . 2 . . . A 108 GLU HG2 . 19482 1 443 . 1 1 42 42 GLU HG3 H 1 2.1410 0.02 . 2 . . . A 108 GLU HG3 . 19482 1 444 . 1 1 42 42 GLU C C 13 177.1470 0.30 . 1 . . . A 108 GLU C . 19482 1 445 . 1 1 42 42 GLU CA C 13 57.2060 0.30 . 1 . . . A 108 GLU CA . 19482 1 446 . 1 1 42 42 GLU CB C 13 26.6530 0.30 . 1 . . . A 108 GLU CB . 19482 1 447 . 1 1 42 42 GLU CG C 13 36.7220 0.30 . 1 . . . A 108 GLU CG . 19482 1 448 . 1 1 42 42 GLU N N 15 115.0190 0.30 . 1 . . . A 108 GLU N . 19482 1 449 . 1 1 43 43 ALA H H 1 8.2500 0.02 . 1 . . . A 109 ALA H . 19482 1 450 . 1 1 43 43 ALA HA H 1 4.7750 0.02 . 1 . . . A 109 ALA HA . 19482 1 451 . 1 1 43 43 ALA HB1 H 1 1.4250 0.02 . 1 . . . A 109 ALA HB1 . 19482 1 452 . 1 1 43 43 ALA HB2 H 1 1.4250 0.02 . 1 . . . A 109 ALA HB2 . 19482 1 453 . 1 1 43 43 ALA HB3 H 1 1.4250 0.02 . 1 . . . A 109 ALA HB3 . 19482 1 454 . 1 1 43 43 ALA CA C 13 52.1140 0.30 . 1 . . . A 109 ALA CA . 19482 1 455 . 1 1 43 43 ALA CB C 13 20.2880 0.30 . 1 . . . A 109 ALA CB . 19482 1 456 . 1 1 43 43 ALA N N 15 118.9810 0.30 . 1 . . . A 109 ALA N . 19482 1 457 . 1 1 44 44 LYS H H 1 8.7810 0.02 . 1 . . . A 110 LYS H . 19482 1 458 . 1 1 44 44 LYS HA H 1 4.5850 0.02 . 1 . . . A 110 LYS HA . 19482 1 459 . 1 1 44 44 LYS HB2 H 1 1.7550 0.02 . 2 . . . A 110 LYS HB2 . 19482 1 460 . 1 1 44 44 LYS HG2 H 1 1.1880 0.02 . 2 . . . A 110 LYS HG2 . 19482 1 461 . 1 1 44 44 LYS HG3 H 1 1.4100 0.02 . 2 . . . A 110 LYS HG3 . 19482 1 462 . 1 1 44 44 LYS HD2 H 1 1.6250 0.02 . 2 . . . A 110 LYS HD2 . 19482 1 463 . 1 1 44 44 LYS C C 13 176.0050 0.30 . 1 . . . A 110 LYS C . 19482 1 464 . 1 1 44 44 LYS CA C 13 54.9410 0.30 . 1 . . . A 110 LYS CA . 19482 1 465 . 1 1 44 44 LYS CB C 13 33.6000 0.30 . 1 . . . A 110 LYS CB . 19482 1 466 . 1 1 44 44 LYS CG C 13 24.6860 0.30 . 1 . . . A 110 LYS CG . 19482 1 467 . 1 1 44 44 LYS CD C 13 29.5470 0.30 . 1 . . . A 110 LYS CD . 19482 1 468 . 1 1 44 44 LYS N N 15 122.5580 0.30 . 1 . . . A 110 LYS N . 19482 1 469 . 1 1 45 45 ILE H H 1 8.7350 0.02 . 1 . . . A 111 ILE H . 19482 1 470 . 1 1 45 45 ILE HA H 1 3.9420 0.02 . 1 . . . A 111 ILE HA . 19482 1 471 . 1 1 45 45 ILE HB H 1 1.8310 0.02 . 1 . . . A 111 ILE HB . 19482 1 472 . 1 1 45 45 ILE HG12 H 1 1.4770 0.02 . 2 . . . A 111 ILE HG12 . 19482 1 473 . 1 1 45 45 ILE HG13 H 1 1.4420 0.02 . 2 . . . A 111 ILE HG13 . 19482 1 474 . 1 1 45 45 ILE HG21 H 1 0.7000 0.02 . 1 . . . A 111 ILE HG21 . 19482 1 475 . 1 1 45 45 ILE HG22 H 1 0.7000 0.02 . 1 . . . A 111 ILE HG22 . 19482 1 476 . 1 1 45 45 ILE HG23 H 1 0.7000 0.02 . 1 . . . A 111 ILE HG23 . 19482 1 477 . 1 1 45 45 ILE HD11 H 1 0.5080 0.02 . 1 . . . A 111 ILE HD11 . 19482 1 478 . 1 1 45 45 ILE HD12 H 1 0.5080 0.02 . 1 . . . A 111 ILE HD12 . 19482 1 479 . 1 1 45 45 ILE HD13 H 1 0.5080 0.02 . 1 . . . A 111 ILE HD13 . 19482 1 480 . 1 1 45 45 ILE C C 13 175.8490 0.30 . 1 . . . A 111 ILE C . 19482 1 481 . 1 1 45 45 ILE CA C 13 62.4480 0.30 . 1 . . . A 111 ILE CA . 19482 1 482 . 1 1 45 45 ILE CB C 13 37.9550 0.30 . 1 . . . A 111 ILE CB . 19482 1 483 . 1 1 45 45 ILE CG1 C 13 27.7050 0.30 . 1 . . . A 111 ILE CG1 . 19482 1 484 . 1 1 45 45 ILE CG2 C 13 17.0480 0.30 . 1 . . . A 111 ILE CG2 . 19482 1 485 . 1 1 45 45 ILE CD1 C 13 11.8400 0.30 . 1 . . . A 111 ILE CD1 . 19482 1 486 . 1 1 45 45 ILE N N 15 126.5680 0.30 . 1 . . . A 111 ILE N . 19482 1 487 . 1 1 46 46 HIS H H 1 9.3880 0.02 . 1 . . . A 112 HIS H . 19482 1 488 . 1 1 46 46 HIS HA H 1 4.7050 0.02 . 1 . . . A 112 HIS HA . 19482 1 489 . 1 1 46 46 HIS HB2 H 1 3.2130 0.02 . 2 . . . A 112 HIS HB2 . 19482 1 490 . 1 1 46 46 HIS HB3 H 1 2.6750 0.02 . 2 . . . A 112 HIS HB3 . 19482 1 491 . 1 1 46 46 HIS C C 13 175.8490 0.30 . 1 . . . A 112 HIS C . 19482 1 492 . 1 1 46 46 HIS CA C 13 57.1930 0.30 . 1 . . . A 112 HIS CA . 19482 1 493 . 1 1 46 46 HIS CB C 13 32.5560 0.30 . 1 . . . A 112 HIS CB . 19482 1 494 . 1 1 46 46 HIS N N 15 127.6480 0.30 . 1 . . . A 112 HIS N . 19482 1 495 . 1 1 47 47 HIS H H 1 8.0170 0.02 . 1 . . . A 113 HIS H . 19482 1 496 . 1 1 47 47 HIS HA H 1 4.8550 0.02 . 1 . . . A 113 HIS HA . 19482 1 497 . 1 1 47 47 HIS HB2 H 1 3.2300 0.02 . 2 . . . A 113 HIS HB2 . 19482 1 498 . 1 1 47 47 HIS HB3 H 1 2.7400 0.02 . 2 . . . A 113 HIS HB3 . 19482 1 499 . 1 1 47 47 HIS HD2 H 1 6.7340 0.02 . 1 . . . A 113 HIS HD2 . 19482 1 500 . 1 1 47 47 HIS C C 13 171.6440 0.30 . 1 . . . A 113 HIS C . 19482 1 501 . 1 1 47 47 HIS CA C 13 56.6220 0.30 . 1 . . . A 113 HIS CA . 19482 1 502 . 1 1 47 47 HIS CB C 13 34.8970 0.30 . 1 . . . A 113 HIS CB . 19482 1 503 . 1 1 47 47 HIS N N 15 116.8680 0.30 . 1 . . . A 113 HIS N . 19482 1 504 . 1 1 48 48 LEU H H 1 8.0800 0.02 . 1 . . . A 114 LEU H . 19482 1 505 . 1 1 48 48 LEU HA H 1 5.5210 0.02 . 1 . . . A 114 LEU HA . 19482 1 506 . 1 1 48 48 LEU HB2 H 1 1.4940 0.02 . 2 . . . A 114 LEU HB2 . 19482 1 507 . 1 1 48 48 LEU HB3 H 1 1.4200 0.02 . 2 . . . A 114 LEU HB3 . 19482 1 508 . 1 1 48 48 LEU HG H 1 1.5650 0.02 . 1 . . . A 114 LEU HG . 19482 1 509 . 1 1 48 48 LEU HD11 H 1 0.7390 0.02 . 2 . . . A 114 LEU HD11 . 19482 1 510 . 1 1 48 48 LEU HD12 H 1 0.7390 0.02 . 2 . . . A 114 LEU HD12 . 19482 1 511 . 1 1 48 48 LEU HD13 H 1 0.7390 0.02 . 2 . . . A 114 LEU HD13 . 19482 1 512 . 1 1 48 48 LEU HD21 H 1 0.7770 0.02 . 2 . . . A 114 LEU HD21 . 19482 1 513 . 1 1 48 48 LEU HD22 H 1 0.7770 0.02 . 2 . . . A 114 LEU HD22 . 19482 1 514 . 1 1 48 48 LEU HD23 H 1 0.7770 0.02 . 2 . . . A 114 LEU HD23 . 19482 1 515 . 1 1 48 48 LEU C C 13 174.3430 0.30 . 1 . . . A 114 LEU C . 19482 1 516 . 1 1 48 48 LEU CA C 13 54.4000 0.30 . 1 . . . A 114 LEU CA . 19482 1 517 . 1 1 48 48 LEU CB C 13 46.9420 0.30 . 1 . . . A 114 LEU CB . 19482 1 518 . 1 1 48 48 LEU CG C 13 27.2050 0.30 . 1 . . . A 114 LEU CG . 19482 1 519 . 1 1 48 48 LEU CD1 C 13 25.9270 0.30 . 2 . . . A 114 LEU CD1 . 19482 1 520 . 1 1 48 48 LEU CD2 C 13 24.5790 0.30 . 2 . . . A 114 LEU CD2 . 19482 1 521 . 1 1 48 48 LEU N N 15 129.8200 0.30 . 1 . . . A 114 LEU N . 19482 1 522 . 1 1 49 49 GLU H H 1 9.3000 0.02 . 1 . . . A 115 GLU H . 19482 1 523 . 1 1 49 49 GLU HA H 1 5.4870 0.02 . 1 . . . A 115 GLU HA . 19482 1 524 . 1 1 49 49 GLU HB2 H 1 2.2120 0.02 . 2 . . . A 115 GLU HB2 . 19482 1 525 . 1 1 49 49 GLU HB3 H 1 2.3330 0.02 . 2 . . . A 115 GLU HB3 . 19482 1 526 . 1 1 49 49 GLU HG2 H 1 2.4670 0.02 . 2 . . . A 115 GLU HG2 . 19482 1 527 . 1 1 49 49 GLU HG3 H 1 2.1950 0.02 . 2 . . . A 115 GLU HG3 . 19482 1 528 . 1 1 49 49 GLU CA C 13 54.8950 0.30 . 1 . . . A 115 GLU CA . 19482 1 529 . 1 1 49 49 GLU CB C 13 33.3000 0.30 . 1 . . . A 115 GLU CB . 19482 1 530 . 1 1 49 49 GLU CG C 13 35.9990 0.30 . 1 . . . A 115 GLU CG . 19482 1 531 . 1 1 49 49 GLU N N 15 119.8090 0.30 . 1 . . . A 115 GLU N . 19482 1 532 . 1 1 50 50 THR H H 1 8.1900 0.02 . 1 . . . A 116 THR H . 19482 1 533 . 1 1 50 50 THR HA H 1 4.8270 0.02 . 1 . . . A 116 THR HA . 19482 1 534 . 1 1 50 50 THR HB H 1 4.0380 0.02 . 1 . . . A 116 THR HB . 19482 1 535 . 1 1 50 50 THR HG21 H 1 0.8710 0.02 . 1 . . . A 116 THR HG21 . 19482 1 536 . 1 1 50 50 THR HG22 H 1 0.8710 0.02 . 1 . . . A 116 THR HG22 . 19482 1 537 . 1 1 50 50 THR HG23 H 1 0.8710 0.02 . 1 . . . A 116 THR HG23 . 19482 1 538 . 1 1 50 50 THR C C 13 175.1220 0.30 . 1 . . . A 116 THR C . 19482 1 539 . 1 1 50 50 THR CA C 13 59.2740 0.30 . 1 . . . A 116 THR CA . 19482 1 540 . 1 1 50 50 THR CB C 13 71.0850 0.30 . 1 . . . A 116 THR CB . 19482 1 541 . 1 1 50 50 THR CG2 C 13 23.0940 0.30 . 1 . . . A 116 THR CG2 . 19482 1 542 . 1 1 50 50 THR N N 15 111.4030 0.30 . 1 . . . A 116 THR N . 19482 1 543 . 1 1 51 51 ARG H H 1 8.8600 0.02 . 1 . . . A 117 ARG H . 19482 1 544 . 1 1 51 51 ARG HA H 1 4.9880 0.02 . 1 . . . A 117 ARG HA . 19482 1 545 . 1 1 51 51 ARG HB2 H 1 2.6130 0.02 . 2 . . . A 117 ARG HB2 . 19482 1 546 . 1 1 51 51 ARG HG2 H 1 2.4540 0.02 . 2 . . . A 117 ARG HG2 . 19482 1 547 . 1 1 51 51 ARG HD2 H 1 3.7820 0.02 . 2 . . . A 117 ARG HD2 . 19482 1 548 . 1 1 51 51 ARG HD3 H 1 3.5180 0.02 . 2 . . . A 117 ARG HD3 . 19482 1 549 . 1 1 51 51 ARG C C 13 172.7340 0.30 . 1 . . . A 117 ARG C . 19482 1 550 . 1 1 51 51 ARG CA C 13 53.8290 0.30 . 1 . . . A 117 ARG CA . 19482 1 551 . 1 1 51 51 ARG CB C 13 33.0840 0.30 . 1 . . . A 117 ARG CB . 19482 1 552 . 1 1 51 51 ARG CG C 13 23.8740 0.30 . 1 . . . A 117 ARG CG . 19482 1 553 . 1 1 51 51 ARG N N 15 120.2000 0.30 . 1 . . . A 117 ARG N . 19482 1 554 . 1 1 52 52 PRO HA H 1 4.4620 0.02 . 1 . . . A 118 PRO HA . 19482 1 555 . 1 1 52 52 PRO HB2 H 1 2.2410 0.02 . 2 . . . A 118 PRO HB2 . 19482 1 556 . 1 1 52 52 PRO HB3 H 1 1.7890 0.02 . 2 . . . A 118 PRO HB3 . 19482 1 557 . 1 1 52 52 PRO HG2 H 1 2.0400 0.02 . 2 . . . A 118 PRO HG2 . 19482 1 558 . 1 1 52 52 PRO HG3 H 1 1.9500 0.02 . 2 . . . A 118 PRO HG3 . 19482 1 559 . 1 1 52 52 PRO HD2 H 1 3.5800 0.02 . 2 . . . A 118 PRO HD2 . 19482 1 560 . 1 1 52 52 PRO HD3 H 1 3.8000 0.02 . 2 . . . A 118 PRO HD3 . 19482 1 561 . 1 1 52 52 PRO C C 13 177.0430 0.30 . 1 . . . A 118 PRO C . 19482 1 562 . 1 1 52 52 PRO CA C 13 63.1080 0.30 . 1 . . . A 118 PRO CA . 19482 1 563 . 1 1 52 52 PRO CB C 13 31.8610 0.30 . 1 . . . A 118 PRO CB . 19482 1 564 . 1 1 52 52 PRO CG C 13 27.6950 0.30 . 1 . . . A 118 PRO CG . 19482 1 565 . 1 1 52 52 PRO CD C 13 50.3780 0.30 . 1 . . . A 118 PRO CD . 19482 1 566 . 1 1 53 53 ALA H H 1 8.3350 0.02 . 1 . . . A 119 ALA H . 19482 1 567 . 1 1 53 53 ALA HA H 1 4.0980 0.02 . 1 . . . A 119 ALA HA . 19482 1 568 . 1 1 53 53 ALA HB1 H 1 0.9390 0.02 . 1 . . . A 119 ALA HB1 . 19482 1 569 . 1 1 53 53 ALA HB2 H 1 0.9390 0.02 . 1 . . . A 119 ALA HB2 . 19482 1 570 . 1 1 53 53 ALA HB3 H 1 0.9390 0.02 . 1 . . . A 119 ALA HB3 . 19482 1 571 . 1 1 53 53 ALA C C 13 177.1470 0.30 . 1 . . . A 119 ALA C . 19482 1 572 . 1 1 53 53 ALA CA C 13 52.1140 0.30 . 1 . . . A 119 ALA CA . 19482 1 573 . 1 1 53 53 ALA CB C 13 19.2470 0.30 . 1 . . . A 119 ALA CB . 19482 1 574 . 1 1 53 53 ALA N N 15 125.9580 0.30 . 1 . . . A 119 ALA N . 19482 1 575 . 1 1 54 54 GLN H H 1 8.3760 0.02 . 1 . . . A 120 GLN H . 19482 1 576 . 1 1 54 54 GLN HA H 1 4.1330 0.02 . 1 . . . A 120 GLN HA . 19482 1 577 . 1 1 54 54 GLN HB2 H 1 1.9140 0.02 . 2 . . . A 120 GLN HB2 . 19482 1 578 . 1 1 54 54 GLN HB3 H 1 1.9840 0.02 . 2 . . . A 120 GLN HB3 . 19482 1 579 . 1 1 54 54 GLN HG2 H 1 2.3050 0.02 . 2 . . . A 120 GLN HG2 . 19482 1 580 . 1 1 54 54 GLN HG3 H 1 2.3540 0.02 . 2 . . . A 120 GLN HG3 . 19482 1 581 . 1 1 54 54 GLN HE21 H 1 7.5200 0.02 . 2 . . . A 120 GLN HE21 . 19482 1 582 . 1 1 54 54 GLN HE22 H 1 6.7900 0.02 . 2 . . . A 120 GLN HE22 . 19482 1 583 . 1 1 54 54 GLN C C 13 176.0050 0.30 . 1 . . . A 120 GLN C . 19482 1 584 . 1 1 54 54 GLN CA C 13 56.9750 0.30 . 1 . . . A 120 GLN CA . 19482 1 585 . 1 1 54 54 GLN CB C 13 29.4310 0.30 . 1 . . . A 120 GLN CB . 19482 1 586 . 1 1 54 54 GLN CG C 13 33.8500 0.30 . 1 . . . A 120 GLN CG . 19482 1 587 . 1 1 54 54 GLN N N 15 120.4970 0.30 . 1 . . . A 120 GLN N . 19482 1 588 . 1 1 54 54 GLN NE2 N 15 112.5000 0.30 . 1 . . . A 120 GLN NE2 . 19482 1 589 . 1 1 55 55 ARG H H 1 8.3880 0.02 . 1 . . . A 121 ARG H . 19482 1 590 . 1 1 55 55 ARG HA H 1 4.6030 0.02 . 1 . . . A 121 ARG HA . 19482 1 591 . 1 1 55 55 ARG HB2 H 1 1.7880 0.02 . 2 . . . A 121 ARG HB2 . 19482 1 592 . 1 1 55 55 ARG HB3 H 1 1.6570 0.02 . 2 . . . A 121 ARG HB3 . 19482 1 593 . 1 1 55 55 ARG HG2 H 1 1.5350 0.02 . 2 . . . A 121 ARG HG2 . 19482 1 594 . 1 1 55 55 ARG HD2 H 1 3.1400 0.02 . 2 . . . A 121 ARG HD2 . 19482 1 595 . 1 1 55 55 ARG C C 13 173.5650 0.30 . 1 . . . A 121 ARG C . 19482 1 596 . 1 1 55 55 ARG CA C 13 53.7120 0.30 . 1 . . . A 121 ARG CA . 19482 1 597 . 1 1 55 55 ARG CB C 13 30.3000 0.30 . 1 . . . A 121 ARG CB . 19482 1 598 . 1 1 55 55 ARG CG C 13 27.1560 0.30 . 1 . . . A 121 ARG CG . 19482 1 599 . 1 1 55 55 ARG CD C 13 43.6000 0.30 . 1 . . . A 121 ARG CD . 19482 1 600 . 1 1 55 55 ARG N N 15 121.1930 0.30 . 1 . . . A 121 ARG N . 19482 1 601 . 1 1 56 56 PRO HA H 1 4.3540 0.02 . 1 . . . A 122 PRO HA . 19482 1 602 . 1 1 56 56 PRO HB2 H 1 1.8720 0.02 . 2 . . . A 122 PRO HB2 . 19482 1 603 . 1 1 56 56 PRO HB3 H 1 2.1130 0.02 . 2 . . . A 122 PRO HB3 . 19482 1 604 . 1 1 56 56 PRO HG2 H 1 1.9120 0.02 . 2 . . . A 122 PRO HG2 . 19482 1 605 . 1 1 56 56 PRO HD2 H 1 3.5590 0.02 . 2 . . . A 122 PRO HD2 . 19482 1 606 . 1 1 56 56 PRO CA C 13 63.2750 0.30 . 1 . . . A 122 PRO CA . 19482 1 607 . 1 1 56 56 PRO CB C 13 31.8610 0.30 . 1 . . . A 122 PRO CB . 19482 1 608 . 1 1 56 56 PRO CG C 13 27.1160 0.30 . 1 . . . A 122 PRO CG . 19482 1 609 . 1 1 56 56 PRO CD C 13 50.4940 0.30 . 1 . . . A 122 PRO CD . 19482 1 610 . 1 1 57 57 LEU H H 1 8.4420 0.02 . 1 . . . A 123 LEU H . 19482 1 611 . 1 1 57 57 LEU HA H 1 4.2890 0.02 . 1 . . . A 123 LEU HA . 19482 1 612 . 1 1 57 57 LEU HB2 H 1 1.5500 0.02 . 2 . . . A 123 LEU HB2 . 19482 1 613 . 1 1 57 57 LEU HB3 H 1 1.6100 0.02 . 2 . . . A 123 LEU HB3 . 19482 1 614 . 1 1 57 57 LEU HG H 1 1.6020 0.02 . 1 . . . A 123 LEU HG . 19482 1 615 . 1 1 57 57 LEU HD11 H 1 0.8850 0.02 . 2 . . . A 123 LEU HD11 . 19482 1 616 . 1 1 57 57 LEU HD12 H 1 0.8850 0.02 . 2 . . . A 123 LEU HD12 . 19482 1 617 . 1 1 57 57 LEU HD13 H 1 0.8850 0.02 . 2 . . . A 123 LEU HD13 . 19482 1 618 . 1 1 57 57 LEU HD21 H 1 0.8320 0.02 . 2 . . . A 123 LEU HD21 . 19482 1 619 . 1 1 57 57 LEU HD22 H 1 0.8320 0.02 . 2 . . . A 123 LEU HD22 . 19482 1 620 . 1 1 57 57 LEU HD23 H 1 0.8320 0.02 . 2 . . . A 123 LEU HD23 . 19482 1 621 . 1 1 57 57 LEU C C 13 177.0430 0.30 . 1 . . . A 123 LEU C . 19482 1 622 . 1 1 57 57 LEU CA C 13 55.3150 0.30 . 1 . . . A 123 LEU CA . 19482 1 623 . 1 1 57 57 LEU CB C 13 42.6070 0.30 . 1 . . . A 123 LEU CB . 19482 1 624 . 1 1 57 57 LEU CG C 13 27.0600 0.30 . 1 . . . A 123 LEU CG . 19482 1 625 . 1 1 57 57 LEU CD1 C 13 25.0360 0.30 . 2 . . . A 123 LEU CD1 . 19482 1 626 . 1 1 57 57 LEU CD2 C 13 23.5400 0.30 . 2 . . . A 123 LEU CD2 . 19482 1 627 . 1 1 57 57 LEU N N 15 121.8850 0.30 . 1 . . . A 123 LEU N . 19482 1 628 . 1 1 58 58 ALA H H 1 8.2940 0.02 . 1 . . . A 124 ALA H . 19482 1 629 . 1 1 58 58 ALA HA H 1 4.2320 0.02 . 1 . . . A 124 ALA HA . 19482 1 630 . 1 1 58 58 ALA HB1 H 1 1.3680 0.02 . 1 . . . A 124 ALA HB1 . 19482 1 631 . 1 1 58 58 ALA HB2 H 1 1.3680 0.02 . 1 . . . A 124 ALA HB2 . 19482 1 632 . 1 1 58 58 ALA HB3 H 1 1.3680 0.02 . 1 . . . A 124 ALA HB3 . 19482 1 633 . 1 1 58 58 ALA C C 13 178.2890 0.30 . 1 . . . A 124 ALA C . 19482 1 634 . 1 1 58 58 ALA CA C 13 53.1560 0.30 . 1 . . . A 124 ALA CA . 19482 1 635 . 1 1 58 58 ALA CB C 13 19.1340 0.30 . 1 . . . A 124 ALA CB . 19482 1 636 . 1 1 58 58 ALA N N 15 124.4460 0.30 . 1 . . . A 124 ALA N . 19482 1 637 . 1 1 59 59 GLY H H 1 8.4660 0.02 . 1 . . . A 125 GLY H . 19482 1 638 . 1 1 59 59 GLY HA2 H 1 4.0470 0.02 . 2 . . . A 125 GLY HA2 . 19482 1 639 . 1 1 59 59 GLY HA3 H 1 3.8040 0.02 . 2 . . . A 125 GLY HA3 . 19482 1 640 . 1 1 59 59 GLY C C 13 173.9280 0.30 . 1 . . . A 125 GLY C . 19482 1 641 . 1 1 59 59 GLY CA C 13 45.5310 0.30 . 1 . . . A 125 GLY CA . 19482 1 642 . 1 1 59 59 GLY N N 15 108.4920 0.30 . 1 . . . A 125 GLY N . 19482 1 643 . 1 1 60 60 SER H H 1 7.9530 0.02 . 1 . . . A 126 SER H . 19482 1 644 . 1 1 60 60 SER HA H 1 4.8820 0.02 . 1 . . . A 126 SER HA . 19482 1 645 . 1 1 60 60 SER HB2 H 1 3.9270 0.02 . 2 . . . A 126 SER HB2 . 19482 1 646 . 1 1 60 60 SER HB3 H 1 3.7910 0.02 . 2 . . . A 126 SER HB3 . 19482 1 647 . 1 1 60 60 SER C C 13 172.0600 0.30 . 1 . . . A 126 SER C . 19482 1 648 . 1 1 60 60 SER CA C 13 56.6220 0.30 . 1 . . . A 126 SER CA . 19482 1 649 . 1 1 60 60 SER CB C 13 63.5580 0.30 . 1 . . . A 126 SER CB . 19482 1 650 . 1 1 60 60 SER N N 15 116.2380 0.30 . 1 . . . A 126 SER N . 19482 1 651 . 1 1 61 61 PRO HA H 1 4.5320 0.02 . 1 . . . A 127 PRO HA . 19482 1 652 . 1 1 61 61 PRO HB2 H 1 2.3100 0.02 . 2 . . . A 127 PRO HB2 . 19482 1 653 . 1 1 61 61 PRO HB3 H 1 1.9630 0.02 . 2 . . . A 127 PRO HB3 . 19482 1 654 . 1 1 61 61 PRO HG2 H 1 2.0340 0.02 . 2 . . . A 127 PRO HG2 . 19482 1 655 . 1 1 61 61 PRO HG3 H 1 1.9600 0.02 . 2 . . . A 127 PRO HG3 . 19482 1 656 . 1 1 61 61 PRO HD2 H 1 3.7550 0.02 . 2 . . . A 127 PRO HD2 . 19482 1 657 . 1 1 61 61 PRO HD3 H 1 3.6980 0.02 . 2 . . . A 127 PRO HD3 . 19482 1 658 . 1 1 61 61 PRO C C 13 176.2640 0.30 . 1 . . . A 127 PRO C . 19482 1 659 . 1 1 61 61 PRO CA C 13 63.4270 0.30 . 1 . . . A 127 PRO CA . 19482 1 660 . 1 1 61 61 PRO CB C 13 32.6260 0.30 . 1 . . . A 127 PRO CB . 19482 1 661 . 1 1 61 61 PRO CG C 13 27.4930 0.30 . 1 . . . A 127 PRO CG . 19482 1 662 . 1 1 61 61 PRO CD C 13 50.9560 0.30 . 1 . . . A 127 PRO CD . 19482 1 663 . 1 1 62 62 HIS H H 1 8.2400 0.02 . 1 . . . A 128 HIS H . 19482 1 664 . 1 1 62 62 HIS HA H 1 4.7920 0.02 . 1 . . . A 128 HIS HA . 19482 1 665 . 1 1 62 62 HIS HB2 H 1 3.1500 0.02 . 2 . . . A 128 HIS HB2 . 19482 1 666 . 1 1 62 62 HIS HB3 H 1 3.1900 0.02 . 2 . . . A 128 HIS HB3 . 19482 1 667 . 1 1 62 62 HIS C C 13 173.8760 0.30 . 1 . . . A 128 HIS C . 19482 1 668 . 1 1 62 62 HIS CA C 13 55.8760 0.30 . 1 . . . A 128 HIS CA . 19482 1 669 . 1 1 62 62 HIS CB C 13 31.8380 0.30 . 1 . . . A 128 HIS CB . 19482 1 670 . 1 1 62 62 HIS N N 15 119.0070 0.30 . 1 . . . A 128 HIS N . 19482 1 671 . 1 1 63 63 LEU H H 1 8.1070 0.02 . 1 . . . A 129 LEU H . 19482 1 672 . 1 1 63 63 LEU HA H 1 4.6530 0.02 . 1 . . . A 129 LEU HA . 19482 1 673 . 1 1 63 63 LEU HB2 H 1 1.4800 0.02 . 2 . . . A 129 LEU HB2 . 19482 1 674 . 1 1 63 63 LEU HB3 H 1 0.9910 0.02 . 2 . . . A 129 LEU HB3 . 19482 1 675 . 1 1 63 63 LEU HD11 H 1 0.7070 0.02 . 2 . . . A 129 LEU HD11 . 19482 1 676 . 1 1 63 63 LEU HD12 H 1 0.7070 0.02 . 2 . . . A 129 LEU HD12 . 19482 1 677 . 1 1 63 63 LEU HD13 H 1 0.7070 0.02 . 2 . . . A 129 LEU HD13 . 19482 1 678 . 1 1 63 63 LEU HD21 H 1 0.7680 0.02 . 2 . . . A 129 LEU HD21 . 19482 1 679 . 1 1 63 63 LEU HD22 H 1 0.7680 0.02 . 2 . . . A 129 LEU HD22 . 19482 1 680 . 1 1 63 63 LEU HD23 H 1 0.7680 0.02 . 2 . . . A 129 LEU HD23 . 19482 1 681 . 1 1 63 63 LEU C C 13 176.0570 0.30 . 1 . . . A 129 LEU C . 19482 1 682 . 1 1 63 63 LEU CA C 13 54.0010 0.30 . 1 . . . A 129 LEU CA . 19482 1 683 . 1 1 63 63 LEU CB C 13 44.0730 0.30 . 1 . . . A 129 LEU CB . 19482 1 684 . 1 1 63 63 LEU CD1 C 13 25.4000 0.30 . 2 . . . A 129 LEU CD1 . 19482 1 685 . 1 1 63 63 LEU CD2 C 13 22.9470 0.30 . 2 . . . A 129 LEU CD2 . 19482 1 686 . 1 1 63 63 LEU N N 15 120.7780 0.30 . 1 . . . A 129 LEU N . 19482 1 687 . 1 1 64 64 GLU H H 1 8.7280 0.02 . 1 . . . A 130 GLU H . 19482 1 688 . 1 1 64 64 GLU HA H 1 4.5000 0.02 . 1 . . . A 130 GLU HA . 19482 1 689 . 1 1 64 64 GLU HB2 H 1 1.7800 0.02 . 2 . . . A 130 GLU HB2 . 19482 1 690 . 1 1 64 64 GLU HG2 H 1 2.0300 0.02 . 2 . . . A 130 GLU HG2 . 19482 1 691 . 1 1 64 64 GLU C C 13 173.3050 0.30 . 1 . . . A 130 GLU C . 19482 1 692 . 1 1 64 64 GLU CA C 13 54.4000 0.30 . 1 . . . A 130 GLU CA . 19482 1 693 . 1 1 64 64 GLU CB C 13 32.5410 0.30 . 1 . . . A 130 GLU CB . 19482 1 694 . 1 1 64 64 GLU CG C 13 37.3180 0.30 . 1 . . . A 130 GLU CG . 19482 1 695 . 1 1 64 64 GLU N N 15 120.1530 0.30 . 1 . . . A 130 GLU N . 19482 1 696 . 1 1 65 65 TYR H H 1 8.7050 0.02 . 1 . . . A 131 TYR H . 19482 1 697 . 1 1 65 65 TYR HA H 1 4.4100 0.02 . 1 . . . A 131 TYR HA . 19482 1 698 . 1 1 65 65 TYR HB2 H 1 1.5990 0.02 . 2 . . . A 131 TYR HB2 . 19482 1 699 . 1 1 65 65 TYR HB3 H 1 1.7570 0.02 . 2 . . . A 131 TYR HB3 . 19482 1 700 . 1 1 65 65 TYR HD1 H 1 6.5530 0.02 . 3 . . . A 131 TYR HD1 . 19482 1 701 . 1 1 65 65 TYR C C 13 172.6820 0.30 . 1 . . . A 131 TYR C . 19482 1 702 . 1 1 65 65 TYR CA C 13 57.8390 0.30 . 1 . . . A 131 TYR CA . 19482 1 703 . 1 1 65 65 TYR CB C 13 39.8810 0.30 . 1 . . . A 131 TYR CB . 19482 1 704 . 1 1 65 65 TYR N N 15 119.0000 0.30 . 1 . . . A 131 TYR N . 19482 1 705 . 1 1 66 66 PHE H H 1 8.9560 0.02 . 1 . . . A 132 PHE H . 19482 1 706 . 1 1 66 66 PHE HA H 1 5.4170 0.02 . 1 . . . A 132 PHE HA . 19482 1 707 . 1 1 66 66 PHE HB2 H 1 2.6570 0.02 . 2 . . . A 132 PHE HB2 . 19482 1 708 . 1 1 66 66 PHE HD1 H 1 7.0200 0.02 . 3 . . . A 132 PHE HD1 . 19482 1 709 . 1 1 66 66 PHE HE1 H 1 7.1660 0.02 . 3 . . . A 132 PHE HE1 . 19482 1 710 . 1 1 66 66 PHE C C 13 174.0320 0.30 . 1 . . . A 132 PHE C . 19482 1 711 . 1 1 66 66 PHE CA C 13 55.7160 0.30 . 1 . . . A 132 PHE CA . 19482 1 712 . 1 1 66 66 PHE CB C 13 41.6240 0.30 . 1 . . . A 132 PHE CB . 19482 1 713 . 1 1 66 66 PHE N N 15 122.5820 0.30 . 1 . . . A 132 PHE N . 19482 1 714 . 1 1 67 67 VAL H H 1 8.9540 0.02 . 1 . . . A 133 VAL H . 19482 1 715 . 1 1 67 67 VAL HA H 1 5.0010 0.02 . 1 . . . A 133 VAL HA . 19482 1 716 . 1 1 67 67 VAL HB H 1 1.7900 0.02 . 1 . . . A 133 VAL HB . 19482 1 717 . 1 1 67 67 VAL HG11 H 1 0.6990 0.02 . 2 . . . A 133 VAL HG11 . 19482 1 718 . 1 1 67 67 VAL HG12 H 1 0.6990 0.02 . 2 . . . A 133 VAL HG12 . 19482 1 719 . 1 1 67 67 VAL HG13 H 1 0.6990 0.02 . 2 . . . A 133 VAL HG13 . 19482 1 720 . 1 1 67 67 VAL HG21 H 1 0.7580 0.02 . 2 . . . A 133 VAL HG21 . 19482 1 721 . 1 1 67 67 VAL HG22 H 1 0.7580 0.02 . 2 . . . A 133 VAL HG22 . 19482 1 722 . 1 1 67 67 VAL HG23 H 1 0.7580 0.02 . 2 . . . A 133 VAL HG23 . 19482 1 723 . 1 1 67 67 VAL C C 13 172.6300 0.30 . 1 . . . A 133 VAL C . 19482 1 724 . 1 1 67 67 VAL CA C 13 59.0220 0.30 . 1 . . . A 133 VAL CA . 19482 1 725 . 1 1 67 67 VAL CB C 13 35.8860 0.30 . 1 . . . A 133 VAL CB . 19482 1 726 . 1 1 67 67 VAL CG1 C 13 21.1560 0.30 . 2 . . . A 133 VAL CG1 . 19482 1 727 . 1 1 67 67 VAL CG2 C 13 21.1560 0.30 . 2 . . . A 133 VAL CG2 . 19482 1 728 . 1 1 67 67 VAL N N 15 125.7870 0.30 . 1 . . . A 133 VAL N . 19482 1 729 . 1 1 68 68 ARG H H 1 9.0840 0.02 . 1 . . . A 134 ARG H . 19482 1 730 . 1 1 68 68 ARG HA H 1 5.6500 0.02 . 1 . . . A 134 ARG HA . 19482 1 731 . 1 1 68 68 ARG HB2 H 1 1.8000 0.02 . 2 . . . A 134 ARG HB2 . 19482 1 732 . 1 1 68 68 ARG HB3 H 1 1.7300 0.02 . 2 . . . A 134 ARG HB3 . 19482 1 733 . 1 1 68 68 ARG C C 13 176.3680 0.30 . 1 . . . A 134 ARG C . 19482 1 734 . 1 1 68 68 ARG CA C 13 54.3660 0.30 . 1 . . . A 134 ARG CA . 19482 1 735 . 1 1 68 68 ARG CB C 13 32.8750 0.30 . 1 . . . A 134 ARG CB . 19482 1 736 . 1 1 68 68 ARG N N 15 127.9720 0.30 . 1 . . . A 134 ARG N . 19482 1 737 . 1 1 69 69 PHE H H 1 9.0580 0.02 . 1 . . . A 135 PHE H . 19482 1 738 . 1 1 69 69 PHE HA H 1 5.5730 0.02 . 1 . . . A 135 PHE HA . 19482 1 739 . 1 1 69 69 PHE HB2 H 1 2.7880 0.02 . 2 . . . A 135 PHE HB2 . 19482 1 740 . 1 1 69 69 PHE HD1 H 1 6.9800 0.02 . 3 . . . A 135 PHE HD1 . 19482 1 741 . 1 1 69 69 PHE HE1 H 1 6.9800 0.02 . 3 . . . A 135 PHE HE1 . 19482 1 742 . 1 1 69 69 PHE C C 13 170.2420 0.30 . 1 . . . A 135 PHE C . 19482 1 743 . 1 1 69 69 PHE CA C 13 55.4230 0.30 . 1 . . . A 135 PHE CA . 19482 1 744 . 1 1 69 69 PHE CB C 13 42.2600 0.30 . 1 . . . A 135 PHE CB . 19482 1 745 . 1 1 69 69 PHE N N 15 124.4250 0.30 . 1 . . . A 135 PHE N . 19482 1 746 . 1 1 70 70 GLU H H 1 8.5720 0.02 . 1 . . . A 136 GLU H . 19482 1 747 . 1 1 70 70 GLU HA H 1 5.9210 0.02 . 1 . . . A 136 GLU HA . 19482 1 748 . 1 1 70 70 GLU HB2 H 1 1.9300 0.02 . 2 . . . A 136 GLU HB2 . 19482 1 749 . 1 1 70 70 GLU HB3 H 1 2.0020 0.02 . 2 . . . A 136 GLU HB3 . 19482 1 750 . 1 1 70 70 GLU HG2 H 1 2.3290 0.02 . 2 . . . A 136 GLU HG2 . 19482 1 751 . 1 1 70 70 GLU HG3 H 1 2.1820 0.02 . 2 . . . A 136 GLU HG3 . 19482 1 752 . 1 1 70 70 GLU C C 13 174.8110 0.30 . 1 . . . A 136 GLU C . 19482 1 753 . 1 1 70 70 GLU CA C 13 52.9320 0.30 . 1 . . . A 136 GLU CA . 19482 1 754 . 1 1 70 70 GLU CB C 13 36.1430 0.30 . 1 . . . A 136 GLU CB . 19482 1 755 . 1 1 70 70 GLU CG C 13 36.7090 0.30 . 1 . . . A 136 GLU CG . 19482 1 756 . 1 1 70 70 GLU N N 15 116.5770 0.30 . 1 . . . A 136 GLU N . 19482 1 757 . 1 1 71 71 VAL H H 1 8.8820 0.02 . 1 . . . A 137 VAL H . 19482 1 758 . 1 1 71 71 VAL HA H 1 5.0000 0.02 . 1 . . . A 137 VAL HA . 19482 1 759 . 1 1 71 71 VAL HB H 1 2.1690 0.02 . 1 . . . A 137 VAL HB . 19482 1 760 . 1 1 71 71 VAL HG11 H 1 1.1120 0.02 . 2 . . . A 137 VAL HG11 . 19482 1 761 . 1 1 71 71 VAL HG12 H 1 1.1120 0.02 . 2 . . . A 137 VAL HG12 . 19482 1 762 . 1 1 71 71 VAL HG13 H 1 1.1120 0.02 . 2 . . . A 137 VAL HG13 . 19482 1 763 . 1 1 71 71 VAL HG21 H 1 0.8730 0.02 . 2 . . . A 137 VAL HG21 . 19482 1 764 . 1 1 71 71 VAL HG22 H 1 0.8730 0.02 . 2 . . . A 137 VAL HG22 . 19482 1 765 . 1 1 71 71 VAL HG23 H 1 0.8730 0.02 . 2 . . . A 137 VAL HG23 . 19482 1 766 . 1 1 71 71 VAL C C 13 170.6050 0.30 . 1 . . . A 137 VAL C . 19482 1 767 . 1 1 71 71 VAL CA C 13 57.9190 0.30 . 1 . . . A 137 VAL CA . 19482 1 768 . 1 1 71 71 VAL CB C 13 37.0490 0.30 . 1 . . . A 137 VAL CB . 19482 1 769 . 1 1 71 71 VAL CG1 C 13 21.7390 0.30 . 2 . . . A 137 VAL CG1 . 19482 1 770 . 1 1 71 71 VAL CG2 C 13 20.7960 0.30 . 2 . . . A 137 VAL CG2 . 19482 1 771 . 1 1 71 71 VAL N N 15 121.9770 0.30 . 1 . . . A 137 VAL N . 19482 1 772 . 1 1 72 72 PRO HA H 1 4.9140 0.02 . 1 . . . A 138 PRO HA . 19482 1 773 . 1 1 72 72 PRO HB2 H 1 2.0320 0.02 . 2 . . . A 138 PRO HB2 . 19482 1 774 . 1 1 72 72 PRO HB3 H 1 2.3970 0.02 . 2 . . . A 138 PRO HB3 . 19482 1 775 . 1 1 72 72 PRO HG2 H 1 2.2900 0.02 . 2 . . . A 138 PRO HG2 . 19482 1 776 . 1 1 72 72 PRO HG3 H 1 2.0300 0.02 . 2 . . . A 138 PRO HG3 . 19482 1 777 . 1 1 72 72 PRO HD2 H 1 3.8960 0.02 . 2 . . . A 138 PRO HD2 . 19482 1 778 . 1 1 72 72 PRO HD3 H 1 3.8260 0.02 . 2 . . . A 138 PRO HD3 . 19482 1 779 . 1 1 72 72 PRO C C 13 179.2750 0.30 . 1 . . . A 138 PRO C . 19482 1 780 . 1 1 72 72 PRO CA C 13 64.5790 0.30 . 1 . . . A 138 PRO CA . 19482 1 781 . 1 1 72 72 PRO CB C 13 31.9240 0.30 . 1 . . . A 138 PRO CB . 19482 1 782 . 1 1 72 72 PRO CG C 13 28.6440 0.30 . 1 . . . A 138 PRO CG . 19482 1 783 . 1 1 72 72 PRO CD C 13 51.4620 0.30 . 1 . . . A 138 PRO CD . 19482 1 784 . 1 1 73 73 SER H H 1 8.9320 0.02 . 1 . . . A 139 SER H . 19482 1 785 . 1 1 73 73 SER HA H 1 3.6990 0.02 . 1 . . . A 139 SER HA . 19482 1 786 . 1 1 73 73 SER HB2 H 1 3.6990 0.02 . 2 . . . A 139 SER HB2 . 19482 1 787 . 1 1 73 73 SER HB3 H 1 3.6770 0.02 . 2 . . . A 139 SER HB3 . 19482 1 788 . 1 1 73 73 SER C C 13 177.3550 0.30 . 1 . . . A 139 SER C . 19482 1 789 . 1 1 73 73 SER CA C 13 62.6660 0.30 . 1 . . . A 139 SER CA . 19482 1 790 . 1 1 73 73 SER CB C 13 62.6400 0.30 . 1 . . . A 139 SER CB . 19482 1 791 . 1 1 73 73 SER N N 15 120.5330 0.30 . 1 . . . A 139 SER N . 19482 1 792 . 1 1 74 74 GLY H H 1 9.0460 0.02 . 1 . . . A 140 GLY H . 19482 1 793 . 1 1 74 74 GLY HA2 H 1 3.9380 0.02 . 2 . . . A 140 GLY HA2 . 19482 1 794 . 1 1 74 74 GLY HA3 H 1 3.8060 0.02 . 2 . . . A 140 GLY HA3 . 19482 1 795 . 1 1 74 74 GLY C C 13 174.6030 0.30 . 1 . . . A 140 GLY C . 19482 1 796 . 1 1 74 74 GLY CA C 13 46.3080 0.30 . 1 . . . A 140 GLY CA . 19482 1 797 . 1 1 74 74 GLY N N 15 108.9570 0.30 . 1 . . . A 140 GLY N . 19482 1 798 . 1 1 75 75 ASP H H 1 7.8730 0.02 . 1 . . . A 141 ASP H . 19482 1 799 . 1 1 75 75 ASP HA H 1 5.0180 0.02 . 1 . . . A 141 ASP HA . 19482 1 800 . 1 1 75 75 ASP HB2 H 1 2.9700 0.02 . 2 . . . A 141 ASP HB2 . 19482 1 801 . 1 1 75 75 ASP HB3 H 1 2.5360 0.02 . 2 . . . A 141 ASP HB3 . 19482 1 802 . 1 1 75 75 ASP C C 13 175.4860 0.30 . 1 . . . A 141 ASP C . 19482 1 803 . 1 1 75 75 ASP CA C 13 54.7410 0.30 . 1 . . . A 141 ASP CA . 19482 1 804 . 1 1 75 75 ASP CB C 13 42.9000 0.30 . 1 . . . A 141 ASP CB . 19482 1 805 . 1 1 75 75 ASP N N 15 118.2760 0.30 . 1 . . . A 141 ASP N . 19482 1 806 . 1 1 76 76 LEU H H 1 7.1260 0.02 . 1 . . . A 142 LEU H . 19482 1 807 . 1 1 76 76 LEU HA H 1 3.6290 0.02 . 1 . . . A 142 LEU HA . 19482 1 808 . 1 1 76 76 LEU HB2 H 1 1.6330 0.02 . 2 . . . A 142 LEU HB2 . 19482 1 809 . 1 1 76 76 LEU HB3 H 1 0.9760 0.02 . 2 . . . A 142 LEU HB3 . 19482 1 810 . 1 1 76 76 LEU HG H 1 1.2070 0.02 . 1 . . . A 142 LEU HG . 19482 1 811 . 1 1 76 76 LEU HD11 H 1 0.6380 0.02 . 2 . . . A 142 LEU HD11 . 19482 1 812 . 1 1 76 76 LEU HD12 H 1 0.6380 0.02 . 2 . . . A 142 LEU HD12 . 19482 1 813 . 1 1 76 76 LEU HD13 H 1 0.6380 0.02 . 2 . . . A 142 LEU HD13 . 19482 1 814 . 1 1 76 76 LEU HD21 H 1 0.0640 0.02 . 2 . . . A 142 LEU HD21 . 19482 1 815 . 1 1 76 76 LEU HD22 H 1 0.0640 0.02 . 2 . . . A 142 LEU HD22 . 19482 1 816 . 1 1 76 76 LEU HD23 H 1 0.0640 0.02 . 2 . . . A 142 LEU HD23 . 19482 1 817 . 1 1 76 76 LEU C C 13 176.9910 0.30 . 1 . . . A 142 LEU C . 19482 1 818 . 1 1 76 76 LEU CA C 13 58.9790 0.30 . 1 . . . A 142 LEU CA . 19482 1 819 . 1 1 76 76 LEU CB C 13 41.6220 0.30 . 1 . . . A 142 LEU CB . 19482 1 820 . 1 1 76 76 LEU CG C 13 26.7040 0.30 . 1 . . . A 142 LEU CG . 19482 1 821 . 1 1 76 76 LEU CD1 C 13 23.7900 0.30 . 2 . . . A 142 LEU CD1 . 19482 1 822 . 1 1 76 76 LEU CD2 C 13 25.2900 0.30 . 2 . . . A 142 LEU CD2 . 19482 1 823 . 1 1 76 76 LEU N N 15 120.8990 0.30 . 1 . . . A 142 LEU N . 19482 1 824 . 1 1 77 77 ALA H H 1 8.6800 0.02 . 1 . . . A 143 ALA H . 19482 1 825 . 1 1 77 77 ALA HA H 1 3.7330 0.02 . 1 . . . A 143 ALA HA . 19482 1 826 . 1 1 77 77 ALA HB1 H 1 1.3210 0.02 . 1 . . . A 143 ALA HB1 . 19482 1 827 . 1 1 77 77 ALA HB2 H 1 1.3210 0.02 . 1 . . . A 143 ALA HB2 . 19482 1 828 . 1 1 77 77 ALA HB3 H 1 1.3210 0.02 . 1 . . . A 143 ALA HB3 . 19482 1 829 . 1 1 77 77 ALA C C 13 180.1580 0.30 . 1 . . . A 143 ALA C . 19482 1 830 . 1 1 77 77 ALA CA C 13 55.8340 0.30 . 1 . . . A 143 ALA CA . 19482 1 831 . 1 1 77 77 ALA CB C 13 17.3040 0.30 . 1 . . . A 143 ALA CB . 19482 1 832 . 1 1 77 77 ALA N N 15 119.9260 0.30 . 1 . . . A 143 ALA N . 19482 1 833 . 1 1 78 78 ALA H H 1 8.0560 0.02 . 1 . . . A 144 ALA H . 19482 1 834 . 1 1 78 78 ALA HA H 1 3.9420 0.02 . 1 . . . A 144 ALA HA . 19482 1 835 . 1 1 78 78 ALA HB1 H 1 1.3730 0.02 . 1 . . . A 144 ALA HB1 . 19482 1 836 . 1 1 78 78 ALA HB2 H 1 1.3730 0.02 . 1 . . . A 144 ALA HB2 . 19482 1 837 . 1 1 78 78 ALA HB3 H 1 1.3730 0.02 . 1 . . . A 144 ALA HB3 . 19482 1 838 . 1 1 78 78 ALA C C 13 180.0020 0.30 . 1 . . . A 144 ALA C . 19482 1 839 . 1 1 78 78 ALA CA C 13 54.7410 0.30 . 1 . . . A 144 ALA CA . 19482 1 840 . 1 1 78 78 ALA CB C 13 18.3970 0.30 . 1 . . . A 144 ALA CB . 19482 1 841 . 1 1 78 78 ALA N N 15 121.8910 0.30 . 1 . . . A 144 ALA N . 19482 1 842 . 1 1 79 79 LEU H H 1 7.7750 0.02 . 1 . . . A 145 LEU H . 19482 1 843 . 1 1 79 79 LEU HA H 1 2.8810 0.02 . 1 . . . A 145 LEU HA . 19482 1 844 . 1 1 79 79 LEU HB2 H 1 1.4250 0.02 . 2 . . . A 145 LEU HB2 . 19482 1 845 . 1 1 79 79 LEU HB3 H 1 0.5840 0.02 . 2 . . . A 145 LEU HB3 . 19482 1 846 . 1 1 79 79 LEU HG H 1 0.8470 0.02 . 1 . . . A 145 LEU HG . 19482 1 847 . 1 1 79 79 LEU HD11 H 1 0.3200 0.02 . 2 . . . A 145 LEU HD11 . 19482 1 848 . 1 1 79 79 LEU HD12 H 1 0.3200 0.02 . 2 . . . A 145 LEU HD12 . 19482 1 849 . 1 1 79 79 LEU HD13 H 1 0.3200 0.02 . 2 . . . A 145 LEU HD13 . 19482 1 850 . 1 1 79 79 LEU HD21 H 1 0.3660 0.02 . 2 . . . A 145 LEU HD21 . 19482 1 851 . 1 1 79 79 LEU HD22 H 1 0.3660 0.02 . 2 . . . A 145 LEU HD22 . 19482 1 852 . 1 1 79 79 LEU HD23 H 1 0.3660 0.02 . 2 . . . A 145 LEU HD23 . 19482 1 853 . 1 1 79 79 LEU C C 13 178.7040 0.30 . 1 . . . A 145 LEU C . 19482 1 854 . 1 1 79 79 LEU CA C 13 58.8120 0.30 . 1 . . . A 145 LEU CA . 19482 1 855 . 1 1 79 79 LEU CB C 13 40.4500 0.30 . 1 . . . A 145 LEU CB . 19482 1 856 . 1 1 79 79 LEU CG C 13 26.9540 0.30 . 1 . . . A 145 LEU CG . 19482 1 857 . 1 1 79 79 LEU CD1 C 13 25.4370 0.30 . 2 . . . A 145 LEU CD1 . 19482 1 858 . 1 1 79 79 LEU CD2 C 13 26.9600 0.30 . 2 . . . A 145 LEU CD2 . 19482 1 859 . 1 1 79 79 LEU N N 15 123.0510 0.30 . 1 . . . A 145 LEU N . 19482 1 860 . 1 1 80 80 LEU H H 1 8.5460 0.02 . 1 . . . A 146 LEU H . 19482 1 861 . 1 1 80 80 LEU HA H 1 3.5770 0.02 . 1 . . . A 146 LEU HA . 19482 1 862 . 1 1 80 80 LEU HB2 H 1 1.2510 0.02 . 2 . . . A 146 LEU HB2 . 19482 1 863 . 1 1 80 80 LEU HB3 H 1 1.7720 0.02 . 2 . . . A 146 LEU HB3 . 19482 1 864 . 1 1 80 80 LEU HG H 1 1.6940 0.02 . 1 . . . A 146 LEU HG . 19482 1 865 . 1 1 80 80 LEU HD11 H 1 0.6760 0.02 . 2 . . . A 146 LEU HD11 . 19482 1 866 . 1 1 80 80 LEU HD12 H 1 0.6760 0.02 . 2 . . . A 146 LEU HD12 . 19482 1 867 . 1 1 80 80 LEU HD13 H 1 0.6760 0.02 . 2 . . . A 146 LEU HD13 . 19482 1 868 . 1 1 80 80 LEU HD21 H 1 0.7330 0.02 . 2 . . . A 146 LEU HD21 . 19482 1 869 . 1 1 80 80 LEU HD22 H 1 0.7330 0.02 . 2 . . . A 146 LEU HD22 . 19482 1 870 . 1 1 80 80 LEU HD23 H 1 0.7330 0.02 . 2 . . . A 146 LEU HD23 . 19482 1 871 . 1 1 80 80 LEU C C 13 179.2240 0.30 . 1 . . . A 146 LEU C . 19482 1 872 . 1 1 80 80 LEU CA C 13 57.5810 0.30 . 1 . . . A 146 LEU CA . 19482 1 873 . 1 1 80 80 LEU CB C 13 41.1450 0.30 . 1 . . . A 146 LEU CB . 19482 1 874 . 1 1 80 80 LEU CG C 13 27.0280 0.30 . 1 . . . A 146 LEU CG . 19482 1 875 . 1 1 80 80 LEU CD1 C 13 22.9070 0.30 . 2 . . . A 146 LEU CD1 . 19482 1 876 . 1 1 80 80 LEU CD2 C 13 25.8800 0.30 . 2 . . . A 146 LEU CD2 . 19482 1 877 . 1 1 80 80 LEU N N 15 120.1080 0.30 . 1 . . . A 146 LEU N . 19482 1 878 . 1 1 81 81 SER H H 1 8.1170 0.02 . 1 . . . A 147 SER H . 19482 1 879 . 1 1 81 81 SER HA H 1 4.0410 0.02 . 1 . . . A 147 SER HA . 19482 1 880 . 1 1 81 81 SER HB2 H 1 3.8470 0.02 . 2 . . . A 147 SER HB2 . 19482 1 881 . 1 1 81 81 SER HB3 H 1 3.9110 0.02 . 2 . . . A 147 SER HB3 . 19482 1 882 . 1 1 81 81 SER C C 13 176.9390 0.30 . 1 . . . A 147 SER C . 19482 1 883 . 1 1 81 81 SER CA C 13 62.0290 0.30 . 1 . . . A 147 SER CA . 19482 1 884 . 1 1 81 81 SER CB C 13 62.7080 0.30 . 1 . . . A 147 SER CB . 19482 1 885 . 1 1 81 81 SER N N 15 113.6350 0.30 . 1 . . . A 147 SER N . 19482 1 886 . 1 1 82 82 SER H H 1 7.7040 0.02 . 1 . . . A 148 SER H . 19482 1 887 . 1 1 82 82 SER HA H 1 4.1550 0.02 . 1 . . . A 148 SER HA . 19482 1 888 . 1 1 82 82 SER HB2 H 1 3.9790 0.02 . 2 . . . A 148 SER HB2 . 19482 1 889 . 1 1 82 82 SER HB3 H 1 3.8470 0.02 . 2 . . . A 148 SER HB3 . 19482 1 890 . 1 1 82 82 SER C C 13 177.3550 0.30 . 1 . . . A 148 SER C . 19482 1 891 . 1 1 82 82 SER CA C 13 62.6000 0.30 . 1 . . . A 148 SER CA . 19482 1 892 . 1 1 82 82 SER CB C 13 63.3300 0.30 . 1 . . . A 148 SER CB . 19482 1 893 . 1 1 82 82 SER N N 15 117.0040 0.30 . 1 . . . A 148 SER N . 19482 1 894 . 1 1 83 83 VAL H H 1 8.6660 0.02 . 1 . . . A 149 VAL H . 19482 1 895 . 1 1 83 83 VAL HA H 1 3.3860 0.02 . 1 . . . A 149 VAL HA . 19482 1 896 . 1 1 83 83 VAL HB H 1 1.6680 0.02 . 1 . . . A 149 VAL HB . 19482 1 897 . 1 1 83 83 VAL HG11 H 1 0.4460 0.02 . 2 . . . A 149 VAL HG11 . 19482 1 898 . 1 1 83 83 VAL HG12 H 1 0.4460 0.02 . 2 . . . A 149 VAL HG12 . 19482 1 899 . 1 1 83 83 VAL HG13 H 1 0.4460 0.02 . 2 . . . A 149 VAL HG13 . 19482 1 900 . 1 1 83 83 VAL HG21 H 1 0.2830 0.02 . 2 . . . A 149 VAL HG21 . 19482 1 901 . 1 1 83 83 VAL HG22 H 1 0.2830 0.02 . 2 . . . A 149 VAL HG22 . 19482 1 902 . 1 1 83 83 VAL HG23 H 1 0.2830 0.02 . 2 . . . A 149 VAL HG23 . 19482 1 903 . 1 1 83 83 VAL C C 13 178.6010 0.30 . 1 . . . A 149 VAL C . 19482 1 904 . 1 1 83 83 VAL CA C 13 66.4920 0.30 . 1 . . . A 149 VAL CA . 19482 1 905 . 1 1 83 83 VAL CB C 13 31.2400 0.30 . 1 . . . A 149 VAL CB . 19482 1 906 . 1 1 83 83 VAL CG1 C 13 21.1050 0.30 . 2 . . . A 149 VAL CG1 . 19482 1 907 . 1 1 83 83 VAL CG2 C 13 23.0950 0.30 . 2 . . . A 149 VAL CG2 . 19482 1 908 . 1 1 83 83 VAL N N 15 123.2590 0.30 . 1 . . . A 149 VAL N . 19482 1 909 . 1 1 84 84 ARG H H 1 8.0750 0.02 . 1 . . . A 150 ARG H . 19482 1 910 . 1 1 84 84 ARG HA H 1 4.1850 0.02 . 1 . . . A 150 ARG HA . 19482 1 911 . 1 1 84 84 ARG HB2 H 1 1.9630 0.02 . 2 . . . A 150 ARG HB2 . 19482 1 912 . 1 1 84 84 ARG HB3 H 1 1.7550 0.02 . 2 . . . A 150 ARG HB3 . 19482 1 913 . 1 1 84 84 ARG HG2 H 1 1.6230 0.02 . 2 . . . A 150 ARG HG2 . 19482 1 914 . 1 1 84 84 ARG HD2 H 1 3.1850 0.02 . 2 . . . A 150 ARG HD2 . 19482 1 915 . 1 1 84 84 ARG C C 13 176.8870 0.30 . 1 . . . A 150 ARG C . 19482 1 916 . 1 1 84 84 ARG CA C 13 58.9770 0.30 . 1 . . . A 150 ARG CA . 19482 1 917 . 1 1 84 84 ARG CB C 13 29.9120 0.30 . 1 . . . A 150 ARG CB . 19482 1 918 . 1 1 84 84 ARG CG C 13 29.8740 0.30 . 1 . . . A 150 ARG CG . 19482 1 919 . 1 1 84 84 ARG CD C 13 43.6740 0.30 . 1 . . . A 150 ARG CD . 19482 1 920 . 1 1 84 84 ARG N N 15 119.8320 0.30 . 1 . . . A 150 ARG N . 19482 1 921 . 1 1 85 85 ARG H H 1 7.1900 0.02 . 1 . . . A 151 ARG H . 19482 1 922 . 1 1 85 85 ARG HA H 1 4.2370 0.02 . 1 . . . A 151 ARG HA . 19482 1 923 . 1 1 85 85 ARG HB2 H 1 1.9280 0.02 . 2 . . . A 151 ARG HB2 . 19482 1 924 . 1 1 85 85 ARG HG2 H 1 1.6420 0.02 . 2 . . . A 151 ARG HG2 . 19482 1 925 . 1 1 85 85 ARG HG3 H 1 1.8920 0.02 . 2 . . . A 151 ARG HG3 . 19482 1 926 . 1 1 85 85 ARG HD2 H 1 3.1820 0.02 . 2 . . . A 151 ARG HD2 . 19482 1 927 . 1 1 85 85 ARG C C 13 177.6660 0.30 . 1 . . . A 151 ARG C . 19482 1 928 . 1 1 85 85 ARG CA C 13 57.9540 0.30 . 1 . . . A 151 ARG CA . 19482 1 929 . 1 1 85 85 ARG CB C 13 30.8300 0.30 . 1 . . . A 151 ARG CB . 19482 1 930 . 1 1 85 85 ARG CG C 13 27.9610 0.30 . 1 . . . A 151 ARG CG . 19482 1 931 . 1 1 85 85 ARG CD C 13 43.5370 0.30 . 1 . . . A 151 ARG CD . 19482 1 932 . 1 1 85 85 ARG N N 15 115.5050 0.30 . 1 . . . A 151 ARG N . 19482 1 933 . 1 1 86 86 VAL H H 1 7.2780 0.02 . 1 . . . A 152 VAL H . 19482 1 934 . 1 1 86 86 VAL HA H 1 4.4520 0.02 . 1 . . . A 152 VAL HA . 19482 1 935 . 1 1 86 86 VAL HB H 1 2.2930 0.02 . 1 . . . A 152 VAL HB . 19482 1 936 . 1 1 86 86 VAL HG11 H 1 0.7470 0.02 . 2 . . . A 152 VAL HG11 . 19482 1 937 . 1 1 86 86 VAL HG12 H 1 0.7470 0.02 . 2 . . . A 152 VAL HG12 . 19482 1 938 . 1 1 86 86 VAL HG13 H 1 0.7470 0.02 . 2 . . . A 152 VAL HG13 . 19482 1 939 . 1 1 86 86 VAL HG21 H 1 0.7480 0.02 . 2 . . . A 152 VAL HG21 . 19482 1 940 . 1 1 86 86 VAL HG22 H 1 0.7480 0.02 . 2 . . . A 152 VAL HG22 . 19482 1 941 . 1 1 86 86 VAL HG23 H 1 0.7480 0.02 . 2 . . . A 152 VAL HG23 . 19482 1 942 . 1 1 86 86 VAL C C 13 174.1880 0.30 . 1 . . . A 152 VAL C . 19482 1 943 . 1 1 86 86 VAL CA C 13 60.6170 0.30 . 1 . . . A 152 VAL CA . 19482 1 944 . 1 1 86 86 VAL CB C 13 32.8800 0.30 . 1 . . . A 152 VAL CB . 19482 1 945 . 1 1 86 86 VAL CG1 C 13 19.0000 0.30 . 2 . . . A 152 VAL CG1 . 19482 1 946 . 1 1 86 86 VAL CG2 C 13 21.3950 0.30 . 2 . . . A 152 VAL CG2 . 19482 1 947 . 1 1 86 86 VAL N N 15 111.1550 0.30 . 1 . . . A 152 VAL N . 19482 1 948 . 1 1 87 87 SER H H 1 7.6360 0.02 . 1 . . . A 153 SER H . 19482 1 949 . 1 1 87 87 SER HA H 1 4.8270 0.02 . 1 . . . A 153 SER HA . 19482 1 950 . 1 1 87 87 SER HB2 H 1 3.7510 0.02 . 2 . . . A 153 SER HB2 . 19482 1 951 . 1 1 87 87 SER HB3 H 1 3.4700 0.02 . 2 . . . A 153 SER HB3 . 19482 1 952 . 1 1 87 87 SER C C 13 172.4740 0.30 . 1 . . . A 153 SER C . 19482 1 953 . 1 1 87 87 SER CA C 13 57.8700 0.30 . 1 . . . A 153 SER CA . 19482 1 954 . 1 1 87 87 SER CB C 13 65.2620 0.30 . 1 . . . A 153 SER CB . 19482 1 955 . 1 1 87 87 SER N N 15 115.4860 0.30 . 1 . . . A 153 SER N . 19482 1 956 . 1 1 88 88 ASP H H 1 8.8400 0.02 . 1 . . . A 154 ASP H . 19482 1 957 . 1 1 88 88 ASP HA H 1 4.9660 0.02 . 1 . . . A 154 ASP HA . 19482 1 958 . 1 1 88 88 ASP HB2 H 1 2.6450 0.02 . 2 . . . A 154 ASP HB2 . 19482 1 959 . 1 1 88 88 ASP HB3 H 1 2.4810 0.02 . 2 . . . A 154 ASP HB3 . 19482 1 960 . 1 1 88 88 ASP C C 13 175.3990 0.30 . 1 . . . A 154 ASP C . 19482 1 961 . 1 1 88 88 ASP CA C 13 53.8000 0.30 . 1 . . . A 154 ASP CA . 19482 1 962 . 1 1 88 88 ASP CB C 13 43.7000 0.30 . 1 . . . A 154 ASP CB . 19482 1 963 . 1 1 88 88 ASP N N 15 120.9000 0.30 . 1 . . . A 154 ASP N . 19482 1 964 . 1 1 89 89 ASP H H 1 8.4950 0.02 . 1 . . . A 155 ASP H . 19482 1 965 . 1 1 89 89 ASP HA H 1 4.4800 0.02 . 1 . . . A 155 ASP HA . 19482 1 966 . 1 1 89 89 ASP HB2 H 1 2.7500 0.02 . 2 . . . A 155 ASP HB2 . 19482 1 967 . 1 1 89 89 ASP HB3 H 1 2.6690 0.02 . 2 . . . A 155 ASP HB3 . 19482 1 968 . 1 1 89 89 ASP C C 13 174.3430 0.30 . 1 . . . A 155 ASP C . 19482 1 969 . 1 1 89 89 ASP CA C 13 54.3390 0.30 . 1 . . . A 155 ASP CA . 19482 1 970 . 1 1 89 89 ASP CB C 13 40.6740 0.30 . 1 . . . A 155 ASP CB . 19482 1 971 . 1 1 89 89 ASP N N 15 118.4740 0.30 . 1 . . . A 155 ASP N . 19482 1 972 . 1 1 90 90 VAL H H 1 7.9970 0.02 . 1 . . . A 156 VAL H . 19482 1 973 . 1 1 90 90 VAL HA H 1 4.7250 0.02 . 1 . . . A 156 VAL HA . 19482 1 974 . 1 1 90 90 VAL HB H 1 1.9630 0.02 . 1 . . . A 156 VAL HB . 19482 1 975 . 1 1 90 90 VAL HG11 H 1 0.8080 0.02 . 2 . . . A 156 VAL HG11 . 19482 1 976 . 1 1 90 90 VAL HG12 H 1 0.8080 0.02 . 2 . . . A 156 VAL HG12 . 19482 1 977 . 1 1 90 90 VAL HG13 H 1 0.8080 0.02 . 2 . . . A 156 VAL HG13 . 19482 1 978 . 1 1 90 90 VAL HG21 H 1 0.8420 0.02 . 2 . . . A 156 VAL HG21 . 19482 1 979 . 1 1 90 90 VAL HG22 H 1 0.8420 0.02 . 2 . . . A 156 VAL HG22 . 19482 1 980 . 1 1 90 90 VAL HG23 H 1 0.8420 0.02 . 2 . . . A 156 VAL HG23 . 19482 1 981 . 1 1 90 90 VAL C C 13 176.6800 0.30 . 1 . . . A 156 VAL C . 19482 1 982 . 1 1 90 90 VAL CA C 13 62.6930 0.30 . 1 . . . A 156 VAL CA . 19482 1 983 . 1 1 90 90 VAL CB C 13 32.3000 0.30 . 1 . . . A 156 VAL CB . 19482 1 984 . 1 1 90 90 VAL CG1 C 13 21.7990 0.30 . 2 . . . A 156 VAL CG1 . 19482 1 985 . 1 1 90 90 VAL CG2 C 13 23.1200 0.30 . 2 . . . A 156 VAL CG2 . 19482 1 986 . 1 1 90 90 VAL N N 15 119.7790 0.30 . 1 . . . A 156 VAL N . 19482 1 987 . 1 1 91 91 ARG H H 1 9.1830 0.02 . 1 . . . A 157 ARG H . 19482 1 988 . 1 1 91 91 ARG HA H 1 4.7610 0.02 . 1 . . . A 157 ARG HA . 19482 1 989 . 1 1 91 91 ARG HB2 H 1 1.9600 0.02 . 2 . . . A 157 ARG HB2 . 19482 1 990 . 1 1 91 91 ARG HB3 H 1 2.0240 0.02 . 2 . . . A 157 ARG HB3 . 19482 1 991 . 1 1 91 91 ARG HG2 H 1 1.4800 0.02 . 2 . . . A 157 ARG HG2 . 19482 1 992 . 1 1 91 91 ARG HG3 H 1 1.8400 0.02 . 2 . . . A 157 ARG HG3 . 19482 1 993 . 1 1 91 91 ARG HD2 H 1 2.9950 0.02 . 2 . . . A 157 ARG HD2 . 19482 1 994 . 1 1 91 91 ARG HD3 H 1 3.2580 0.02 . 2 . . . A 157 ARG HD3 . 19482 1 995 . 1 1 91 91 ARG C C 13 174.0840 0.30 . 1 . . . A 157 ARG C . 19482 1 996 . 1 1 91 91 ARG CA C 13 55.0850 0.30 . 1 . . . A 157 ARG CA . 19482 1 997 . 1 1 91 91 ARG CB C 13 32.7680 0.30 . 1 . . . A 157 ARG CB . 19482 1 998 . 1 1 91 91 ARG CG C 13 26.1290 0.30 . 1 . . . A 157 ARG CG . 19482 1 999 . 1 1 91 91 ARG CD C 13 44.0980 0.30 . 1 . . . A 157 ARG CD . 19482 1 1000 . 1 1 91 91 ARG N N 15 126.3300 0.30 . 1 . . . A 157 ARG N . 19482 1 1001 . 1 1 92 92 SER H H 1 8.7400 0.02 . 1 . . . A 158 SER H . 19482 1 1002 . 1 1 92 92 SER HA H 1 4.9950 0.02 . 1 . . . A 158 SER HA . 19482 1 1003 . 1 1 92 92 SER HB2 H 1 4.0940 0.02 . 2 . . . A 158 SER HB2 . 19482 1 1004 . 1 1 92 92 SER C C 13 173.6160 0.30 . 1 . . . A 158 SER C . 19482 1 1005 . 1 1 92 92 SER CA C 13 59.5190 0.30 . 1 . . . A 158 SER CA . 19482 1 1006 . 1 1 92 92 SER CB C 13 64.6340 0.30 . 1 . . . A 158 SER CB . 19482 1 1007 . 1 1 92 92 SER N N 15 115.7010 0.30 . 1 . . . A 158 SER N . 19482 1 1008 . 1 1 93 93 ALA H H 1 7.8200 0.02 . 1 . . . A 159 ALA H . 19482 1 1009 . 1 1 93 93 ALA HA H 1 4.3190 0.02 . 1 . . . A 159 ALA HA . 19482 1 1010 . 1 1 93 93 ALA HB1 H 1 1.4010 0.02 . 1 . . . A 159 ALA HB1 . 19482 1 1011 . 1 1 93 93 ALA HB2 H 1 1.4010 0.02 . 1 . . . A 159 ALA HB2 . 19482 1 1012 . 1 1 93 93 ALA HB3 H 1 1.4010 0.02 . 1 . . . A 159 ALA HB3 . 19482 1 1013 . 1 1 93 93 ALA C C 13 181.6640 0.30 . 1 . . . A 159 ALA C . 19482 1 1014 . 1 1 93 93 ALA CA C 13 53.2340 0.30 . 1 . . . A 159 ALA CA . 19482 1 1015 . 1 1 93 93 ALA CB C 13 21.5730 0.30 . 1 . . . A 159 ALA CB . 19482 1 1016 . 1 1 93 93 ALA N N 15 130.9390 0.30 . 1 . . . A 159 ALA N . 19482 1 stop_ save_