data_52595 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52595 _Entry.Title ; 13C, 15N and 1H Assigned Chemical Shifts for Staphylococcus aureus Response Regulator ArlR DNA-binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-30 _Entry.Accession_date 2024-08-30 _Entry.Last_release_date 2024-08-30 _Entry.Original_release_date 2024-08-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Mohammad 'Rafid Feisal' . . . 0000-0003-1464-6753 52595 2 Pascal Mercier . . . . 52595 3 Kevin Mak . Y.L. . 0009-0002-8268-9712 52595 4 Philip Liu . B. . . 52595 5 Yurong Wen . . . 0000-0001-8730-5197 52595 6 Peter Hwang . M. . 0000-0003-3642-6460 52595 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52595 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 52595 '15N chemical shifts' 94 52595 '1H chemical shifts' 704 52595 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-09-07 . original BMRB . 52595 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52595 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and dynamics of Staphylococcus aureus response regulator ArlR DNA-binding domain by solution NMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mohammad 'Rafid Feisal' . . . . 52595 1 2 Pascal Mercier . . . . 52595 1 3 Kevin Mak . Y.L. . . 52595 1 4 Philip Liu . B. . . 52595 1 5 Yurong Wen . . . . 52595 1 6 Peter Hwang . M. . . 52595 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52595 _Assembly.ID 1 _Assembly.Name 'DNA-binding domain of the Staphylococcus aureus response regulator ArlR' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12400.10 _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 ArlR 1 $entity_1 . . yes native no no . . . 52595 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52595 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHDIIDVNGITIDK NAFKVTVNGAEIELTKTEYD LLYLLAENKNHVMQREQILN HVWGYNSEVETNVVDVYIRY LRNKLKPYDRDKMIETVRGV GYVIR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 115,M _Entity.Polymer_author_seq_details '115-122 are the Histag residues MGHHHHHH; 123-219 are from the ArlR DNA-binding domain of the response regulator ArlR.' _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12400.10 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q9KJN4 . 'Response regulator ArlR' . . . . . . . . . . . . . . 52595 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 1 115 MET . 52595 1 2 116 GLY . 52595 1 3 117 HIS . 52595 1 4 118 HIS . 52595 1 5 119 HIS . 52595 1 6 120 HIS . 52595 1 7 121 HIS . 52595 1 8 122 HIS . 52595 1 9 123 ASP . 52595 1 10 124 ILE . 52595 1 11 125 ILE . 52595 1 12 126 ASP . 52595 1 13 127 VAL . 52595 1 14 128 ASN . 52595 1 15 129 GLY . 52595 1 16 130 ILE . 52595 1 17 131 THR . 52595 1 18 132 ILE . 52595 1 19 133 ASP . 52595 1 20 134 LYS . 52595 1 21 135 ASN . 52595 1 22 136 ALA . 52595 1 23 137 PHE . 52595 1 24 138 LYS . 52595 1 25 139 VAL . 52595 1 26 140 THR . 52595 1 27 141 VAL . 52595 1 28 142 ASN . 52595 1 29 143 GLY . 52595 1 30 144 ALA . 52595 1 31 145 GLU . 52595 1 32 146 ILE . 52595 1 33 147 GLU . 52595 1 34 148 LEU . 52595 1 35 149 THR . 52595 1 36 150 LYS . 52595 1 37 151 THR . 52595 1 38 152 GLU . 52595 1 39 153 TYR . 52595 1 40 154 ASP . 52595 1 41 155 LEU . 52595 1 42 156 LEU . 52595 1 43 157 TYR . 52595 1 44 158 LEU . 52595 1 45 159 LEU . 52595 1 46 160 ALA . 52595 1 47 161 GLU . 52595 1 48 162 ASN . 52595 1 49 163 LYS . 52595 1 50 164 ASN . 52595 1 51 165 HIS . 52595 1 52 166 VAL . 52595 1 53 167 MET . 52595 1 54 168 GLN . 52595 1 55 169 ARG . 52595 1 56 170 GLU . 52595 1 57 171 GLN . 52595 1 58 172 ILE . 52595 1 59 173 LEU . 52595 1 60 174 ASN . 52595 1 61 175 HIS . 52595 1 62 176 VAL . 52595 1 63 177 TRP . 52595 1 64 178 GLY . 52595 1 65 179 TYR . 52595 1 66 180 ASN . 52595 1 67 181 SER . 52595 1 68 182 GLU . 52595 1 69 183 VAL . 52595 1 70 184 GLU . 52595 1 71 185 THR . 52595 1 72 186 ASN . 52595 1 73 187 VAL . 52595 1 74 188 VAL . 52595 1 75 189 ASP . 52595 1 76 190 VAL . 52595 1 77 191 TYR . 52595 1 78 192 ILE . 52595 1 79 193 ARG . 52595 1 80 194 TYR . 52595 1 81 195 LEU . 52595 1 82 196 ARG . 52595 1 83 197 ASN . 52595 1 84 198 LYS . 52595 1 85 199 LEU . 52595 1 86 200 LYS . 52595 1 87 201 PRO . 52595 1 88 202 TYR . 52595 1 89 203 ASP . 52595 1 90 204 ARG . 52595 1 91 205 ASP . 52595 1 92 206 LYS . 52595 1 93 207 MET . 52595 1 94 208 ILE . 52595 1 95 209 GLU . 52595 1 96 210 THR . 52595 1 97 211 VAL . 52595 1 98 212 ARG . 52595 1 99 213 GLY . 52595 1 100 214 VAL . 52595 1 101 215 GLY . 52595 1 102 216 TYR . 52595 1 103 217 VAL . 52595 1 104 218 ILE . 52595 1 105 219 ARG . 52595 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 . MET 1 1 52595 1 . GLY 2 2 52595 1 . HIS 3 3 52595 1 . HIS 4 4 52595 1 . HIS 5 5 52595 1 . HIS 6 6 52595 1 . HIS 7 7 52595 1 . HIS 8 8 52595 1 . ASP 9 9 52595 1 . ILE 10 10 52595 1 . ILE 11 11 52595 1 . ASP 12 12 52595 1 . VAL 13 13 52595 1 . ASN 14 14 52595 1 . GLY 15 15 52595 1 . ILE 16 16 52595 1 . THR 17 17 52595 1 . ILE 18 18 52595 1 . ASP 19 19 52595 1 . LYS 20 20 52595 1 . ASN 21 21 52595 1 . ALA 22 22 52595 1 . PHE 23 23 52595 1 . LYS 24 24 52595 1 . VAL 25 25 52595 1 . THR 26 26 52595 1 . VAL 27 27 52595 1 . ASN 28 28 52595 1 . GLY 29 29 52595 1 . ALA 30 30 52595 1 . GLU 31 31 52595 1 . ILE 32 32 52595 1 . GLU 33 33 52595 1 . LEU 34 34 52595 1 . THR 35 35 52595 1 . LYS 36 36 52595 1 . THR 37 37 52595 1 . GLU 38 38 52595 1 . TYR 39 39 52595 1 . ASP 40 40 52595 1 . LEU 41 41 52595 1 . LEU 42 42 52595 1 . TYR 43 43 52595 1 . LEU 44 44 52595 1 . LEU 45 45 52595 1 . ALA 46 46 52595 1 . GLU 47 47 52595 1 . ASN 48 48 52595 1 . LYS 49 49 52595 1 . ASN 50 50 52595 1 . HIS 51 51 52595 1 . VAL 52 52 52595 1 . MET 53 53 52595 1 . GLN 54 54 52595 1 . ARG 55 55 52595 1 . GLU 56 56 52595 1 . GLN 57 57 52595 1 . ILE 58 58 52595 1 . LEU 59 59 52595 1 . ASN 60 60 52595 1 . HIS 61 61 52595 1 . VAL 62 62 52595 1 . TRP 63 63 52595 1 . GLY 64 64 52595 1 . TYR 65 65 52595 1 . ASN 66 66 52595 1 . SER 67 67 52595 1 . GLU 68 68 52595 1 . VAL 69 69 52595 1 . GLU 70 70 52595 1 . THR 71 71 52595 1 . ASN 72 72 52595 1 . VAL 73 73 52595 1 . VAL 74 74 52595 1 . ASP 75 75 52595 1 . VAL 76 76 52595 1 . TYR 77 77 52595 1 . ILE 78 78 52595 1 . ARG 79 79 52595 1 . TYR 80 80 52595 1 . LEU 81 81 52595 1 . ARG 82 82 52595 1 . ASN 83 83 52595 1 . LYS 84 84 52595 1 . LEU 85 85 52595 1 . LYS 86 86 52595 1 . PRO 87 87 52595 1 . TYR 88 88 52595 1 . ASP 89 89 52595 1 . ARG 90 90 52595 1 . ASP 91 91 52595 1 . LYS 92 92 52595 1 . MET 93 93 52595 1 . ILE 94 94 52595 1 . GLU 95 95 52595 1 . THR 96 96 52595 1 . VAL 97 97 52595 1 . ARG 98 98 52595 1 . GLY 99 99 52595 1 . VAL 100 100 52595 1 . GLY 101 101 52595 1 . TYR 102 102 52595 1 . VAL 103 103 52595 1 . ILE 104 104 52595 1 . ARG 105 105 52595 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52595 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus 'NCTC 8325 / PS 47' . . . . . . . . . . arlR . 52595 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52595 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET28a . . . 52595 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52595 _Sample.ID 1 _Sample.Name sample_1_13C_15N_labeled _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM, [U-13C; U-15N] ArlR DNA-binding domain protein, 10 mM Imidazole, pH 6.7 to 6.8, 300 mM NaCl, 5 mM d6-DSS.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA-binding domain of the Staphylococcus aureus response regulator ArlR' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52595 1 2 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 52595 1 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 52595 1 4 d6-DSS [U-2H] . . . . . . 0.5 . . mM . . . . 52595 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52595 _Sample.ID 2 _Sample.Name sample_2_15N_labeled _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM, [U-15N] ArlR DNA-binding domain protein, 10 mM Imidazole, pH 6.7, 300 mM NaCl, 5 mM d6-DSS.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA-binding domain of the Staphylococcus aureus response regulator ArlR' [U-15N] . . 1 $entity_1 . . 0.5 . . mM . . . . 52595 2 2 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 52595 2 3 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 52595 2 4 d6-DSS [U-2H] . . . . . . 0.5 . . mM . . . . 52595 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52595 _Sample.ID 3 _Sample.Name sample_3_(30%)13C_15N_labeled _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM, [U-30% 13C; U-15N] ArlR DNA binding domain protein, in 10 mM imidazole, pH 6.70, 100 mM KCl, 100% D2O' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'DNA-binding domain of the Staphylococcus aureus response regulator ArlR' '[U-30% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52595 3 2 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 52595 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52595 3 4 d6-DSS [U-2H] . . . . . . 0.5 . . mM . . . . 52595 3 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 52595 _Sample_condition_list.ID 1 _Sample_condition_list.Name sampleConditions_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 pH 6.7 . pH 52595 1 temperature 303 . K 52595 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52595 _Software.ID 1 _Software.Type . _Software.Name ARIA2 _Software.Version 2.3.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52595 1 refinement . 52595 1 'structure solution' . 52595 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52595 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52595 2 'data analysis' . 52595 2 'peak picking' . 52595 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52595 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52595 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52595 _Software.ID 4 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52595 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52595 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_spectrometer_500 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52595 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name NMR_spectrometer_600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52595 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52595 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52595 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52595 1 4 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52595 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52595 1 6 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52595 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52595 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52595 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52595 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52595 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52595 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52595 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52595 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.25144953 . . . . . 52595 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 52595 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.10132912 . . . . . 52595 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52595 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chem_shift_set_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 $chem_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' . . . 52595 1 2 '2D 1H-15N HSQC' . . . 52595 1 3 '2D 1H-13C HSQC' . . . 52595 1 4 '3D CBCACONH' . . . 52595 1 5 '3D HNCACB' . . . 52595 1 6 '3D HNCACO' . . . 52595 1 7 '3D HNCO' . . . 52595 1 8 '3D 1H-15N NOESY' . . . 52595 1 9 '3D 1H-13C NOESY' . . . 52595 1 10 '3D C(CO)NH' . . . 52595 1 11 '3D 1H-13C NOESY aromatic' . . . 52595 1 12 '2D 1H-13C HSQC aromatic' . . . 52595 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52595 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 9 9 ASP HA H 1 4.677 0.02 . 1 . . . . . 123 D HA . 52595 1 2 . 1 . 1 9 9 ASP HB2 H 1 2.768 0.02 . 2 . . . . . 123 D HB2 . 52595 1 3 . 1 . 1 9 9 ASP HB3 H 1 2.604 0.02 . 2 . . . . . 123 D HB3 . 52595 1 4 . 1 . 1 9 9 ASP C C 13 174.649 0.2 . 9 . . . . . 123 D C . 52595 1 5 . 1 . 1 9 9 ASP CA C 13 54.927 0.2 . 1 . . . . . 123 D CA . 52595 1 6 . 1 . 1 9 9 ASP CB C 13 41.351 0.2 . 1 . . . . . 123 D CB . 52595 1 7 . 1 . 1 10 10 ILE H H 1 7.795 0.02 . 1 . . . . . 124 I H . 52595 1 8 . 1 . 1 10 10 ILE HA H 1 5.037 0.02 . 1 . . . . . 124 I HA . 52595 1 9 . 1 . 1 10 10 ILE HB H 1 1.703 0.02 . 1 . . . . . 124 I HB . 52595 1 10 . 1 . 1 10 10 ILE HG12 H 1 1.368 0.02 . 2 . . . . . 124 I HG12 . 52595 1 11 . 1 . 1 10 10 ILE HG13 H 1 1.034 0.02 . 2 . . . . . 124 I HG13 . 52595 1 12 . 1 . 1 10 10 ILE HG21 H 1 0.724 0.02 . 9 . . . . . 124 I HG21 . 52595 1 13 . 1 . 1 10 10 ILE HG22 H 1 0.724 0.02 . 1 . . . . . 124 I HG22 . 52595 1 14 . 1 . 1 10 10 ILE HG23 H 1 0.724 0.02 . 1 . . . . . 124 I HG23 . 52595 1 15 . 1 . 1 10 10 ILE HD11 H 1 0.743 0.02 . 9 . . . . . 124 I HD11 . 52595 1 16 . 1 . 1 10 10 ILE HD12 H 1 0.743 0.02 . 1 . . . . . 124 I HD12 . 52595 1 17 . 1 . 1 10 10 ILE HD13 H 1 0.743 0.02 . 1 . . . . . 124 I HD13 . 52595 1 18 . 1 . 1 10 10 ILE C C 13 176.273 0.2 . 1 . . . . . 124 I C . 52595 1 19 . 1 . 1 10 10 ILE CA C 13 59.385 0.2 . 1 . . . . . 124 I CA . 52595 1 20 . 1 . 1 10 10 ILE CB C 13 40.679 0.2 . 1 . . . . . 124 I CB . 52595 1 21 . 1 . 1 10 10 ILE CG1 C 13 27.163 0.2 . 1 . . . . . 124 I CG1 . 52595 1 22 . 1 . 1 10 10 ILE CG2 C 13 18.022 0.2 . 1 . . . . . 124 I CG2 . 52595 1 23 . 1 . 1 10 10 ILE CD1 C 13 12.937 0.2 . 1 . . . . . 124 I CD1 . 52595 1 24 . 1 . 1 10 10 ILE N N 15 119.233 0.2 . 1 . . . . . 124 I N . 52595 1 25 . 1 . 1 11 11 ILE H H 1 8.664 0.02 . 1 . . . . . 125 I H . 52595 1 26 . 1 . 1 11 11 ILE HA H 1 4.381 0.02 . 1 . . . . . 125 I HA . 52595 1 27 . 1 . 1 11 11 ILE HB H 1 1.684 0.02 . 1 . . . . . 125 I HB . 52595 1 28 . 1 . 1 11 11 ILE HG12 H 1 1.471 0.02 . 2 . . . . . 125 I HG12 . 52595 1 29 . 1 . 1 11 11 ILE HG13 H 1 1.016 0.02 . 2 . . . . . 125 I HG13 . 52595 1 30 . 1 . 1 11 11 ILE HG21 H 1 0.755 0.02 . 9 . . . . . 125 I HG21 . 52595 1 31 . 1 . 1 11 11 ILE HG22 H 1 0.755 0.02 . 1 . . . . . 125 I HG22 . 52595 1 32 . 1 . 1 11 11 ILE HG23 H 1 0.755 0.02 . 1 . . . . . 125 I HG23 . 52595 1 33 . 1 . 1 11 11 ILE HD11 H 1 0.609 0.02 . 9 . . . . . 125 I HD11 . 52595 1 34 . 1 . 1 11 11 ILE HD12 H 1 0.609 0.02 . 1 . . . . . 125 I HD12 . 52595 1 35 . 1 . 1 11 11 ILE HD13 H 1 0.609 0.02 . 1 . . . . . 125 I HD13 . 52595 1 36 . 1 . 1 11 11 ILE C C 13 173.686 0.2 . 1 . . . . . 125 I C . 52595 1 37 . 1 . 1 11 11 ILE CA C 13 60.416 0.2 . 1 . . . . . 125 I CA . 52595 1 38 . 1 . 1 11 11 ILE CB C 13 40.980 0.2 . 1 . . . . . 125 I CB . 52595 1 39 . 1 . 1 11 11 ILE CG1 C 13 27.356 0.2 . 1 . . . . . 125 I CG1 . 52595 1 40 . 1 . 1 11 11 ILE CG2 C 13 17.616 0.2 . 1 . . . . . 125 I CG2 . 52595 1 41 . 1 . 1 11 11 ILE CD1 C 13 13.549 0.2 . 1 . . . . . 125 I CD1 . 52595 1 42 . 1 . 1 11 11 ILE N N 15 123.993 0.2 . 1 . . . . . 125 I N . 52595 1 43 . 1 . 1 12 12 ASP H H 1 8.437 0.02 . 1 . . . . . 126 D H . 52595 1 44 . 1 . 1 12 12 ASP HA H 1 5.433 0.02 . 1 . . . . . 126 D HA . 52595 1 45 . 1 . 1 12 12 ASP HB2 H 1 2.643 0.02 . 2 . . . . . 126 D HB2 . 52595 1 46 . 1 . 1 12 12 ASP HB3 H 1 2.360 0.02 . 2 . . . . . 126 D HB3 . 52595 1 47 . 1 . 1 12 12 ASP C C 13 176.090 0.2 . 1 . . . . . 126 D C . 52595 1 48 . 1 . 1 12 12 ASP CA C 13 52.740 0.2 . 1 . . . . . 126 D CA . 52595 1 49 . 1 . 1 12 12 ASP CB C 13 43.334 0.2 . 1 . . . . . 126 D CB . 52595 1 50 . 1 . 1 12 12 ASP N N 15 126.133 0.2 . 1 . . . . . 126 D N . 52595 1 51 . 1 . 1 13 13 VAL H H 1 9.062 0.02 . 1 . . . . . 127 V H . 52595 1 52 . 1 . 1 13 13 VAL HA H 1 4.322 0.02 . 1 . . . . . 127 V HA . 52595 1 53 . 1 . 1 13 13 VAL HB H 1 1.940 0.02 . 1 . . . . . 127 V HB . 52595 1 54 . 1 . 1 13 13 VAL HG11 H 1 0.860 0.02 . 2 . . . . . 127 V HG11 . 52595 1 55 . 1 . 1 13 13 VAL HG12 H 1 0.860 0.02 . 2 . . . . . 127 V HG12 . 52595 1 56 . 1 . 1 13 13 VAL HG13 H 1 0.860 0.02 . 2 . . . . . 127 V HG13 . 52595 1 57 . 1 . 1 13 13 VAL HG21 H 1 0.859 0.02 . 2 . . . . . 127 V HG21 . 52595 1 58 . 1 . 1 13 13 VAL HG22 H 1 0.859 0.02 . 2 . . . . . 127 V HG22 . 52595 1 59 . 1 . 1 13 13 VAL HG23 H 1 0.859 0.02 . 2 . . . . . 127 V HG23 . 52595 1 60 . 1 . 1 13 13 VAL C C 13 174.356 0.2 . 1 . . . . . 127 V C . 52595 1 61 . 1 . 1 13 13 VAL CA C 13 59.875 0.2 . 1 . . . . . 127 V CA . 52595 1 62 . 1 . 1 13 13 VAL CB C 13 32.916 0.2 . 1 . . . . . 127 V CB . 52595 1 63 . 1 . 1 13 13 VAL CG1 C 13 20.925 0.2 . 1 . . . . . 127 V CG1 . 52595 1 64 . 1 . 1 13 13 VAL CG2 C 13 21.028 0.2 . 1 . . . . . 127 V CG2 . 52595 1 65 . 1 . 1 13 13 VAL N N 15 123.785 0.2 . 1 . . . . . 127 V N . 52595 1 66 . 1 . 1 14 14 ASN H H 1 8.989 0.02 . 1 . . . . . 128 N H . 52595 1 67 . 1 . 1 14 14 ASN HA H 1 4.353 0.02 . 1 . . . . . 128 N HA . 52595 1 68 . 1 . 1 14 14 ASN HB2 H 1 3.116 0.02 . 2 . . . . . 128 N HB2 . 52595 1 69 . 1 . 1 14 14 ASN HB3 H 1 2.835 0.02 . 2 . . . . . 128 N HB3 . 52595 1 70 . 1 . 1 14 14 ASN C C 13 174.848 0.2 . 1 . . . . . 128 N C . 52595 1 71 . 1 . 1 14 14 ASN CA C 13 54.015 0.2 . 1 . . . . . 128 N CA . 52595 1 72 . 1 . 1 14 14 ASN CB C 13 38.031 0.2 . 1 . . . . . 128 N CB . 52595 1 73 . 1 . 1 14 14 ASN N N 15 123.562 0.2 . 1 . . . . . 128 N N . 52595 1 74 . 1 . 1 15 15 GLY H H 1 8.740 0.02 . 1 . . . . . 129 G H . 52595 1 75 . 1 . 1 15 15 GLY HA2 H 1 4.257 0.02 . 2 . . . . . 129 G HA2 . 52595 1 76 . 1 . 1 15 15 GLY HA3 H 1 3.746 0.02 . 2 . . . . . 129 G HA3 . 52595 1 77 . 1 . 1 15 15 GLY C C 13 174.740 0.2 . 1 . . . . . 129 G C . 52595 1 78 . 1 . 1 15 15 GLY CA C 13 45.669 0.2 . 1 . . . . . 129 G CA . 52595 1 79 . 1 . 1 15 15 GLY N N 15 105.709 0.2 . 1 . . . . . 129 G N . 52595 1 80 . 1 . 1 16 16 ILE H H 1 7.962 0.02 . 1 . . . . . 130 I H . 52595 1 81 . 1 . 1 16 16 ILE HA H 1 4.580 0.02 . 1 . . . . . 130 I HA . 52595 1 82 . 1 . 1 16 16 ILE HB H 1 2.081 0.02 . 1 . . . . . 130 I HB . 52595 1 83 . 1 . 1 16 16 ILE HG12 H 1 1.557 0.02 . 2 . . . . . 130 I HG12 . 52595 1 84 . 1 . 1 16 16 ILE HG13 H 1 1.016 0.02 . 2 . . . . . 130 I HG13 . 52595 1 85 . 1 . 1 16 16 ILE HG21 H 1 0.672 0.02 . 9 . . . . . 130 I HG21 . 52595 1 86 . 1 . 1 16 16 ILE HG22 H 1 0.672 0.02 . 1 . . . . . 130 I HG22 . 52595 1 87 . 1 . 1 16 16 ILE HG23 H 1 0.672 0.02 . 1 . . . . . 130 I HG23 . 52595 1 88 . 1 . 1 16 16 ILE HD11 H 1 0.779 0.02 . 9 . . . . . 130 I HD11 . 52595 1 89 . 1 . 1 16 16 ILE HD12 H 1 0.779 0.02 . 1 . . . . . 130 I HD12 . 52595 1 90 . 1 . 1 16 16 ILE HD13 H 1 0.779 0.02 . 1 . . . . . 130 I HD13 . 52595 1 91 . 1 . 1 16 16 ILE C C 13 174.850 0.2 . 1 . . . . . 130 I C . 52595 1 92 . 1 . 1 16 16 ILE CA C 13 60.310 0.2 . 1 . . . . . 130 I CA . 52595 1 93 . 1 . 1 16 16 ILE CB C 13 37.956 0.2 . 1 . . . . . 130 I CB . 52595 1 94 . 1 . 1 16 16 ILE CG1 C 13 27.163 0.2 . 1 . . . . . 130 I CG1 . 52595 1 95 . 1 . 1 16 16 ILE CG2 C 13 17.487 0.2 . 1 . . . . . 130 I CG2 . 52595 1 96 . 1 . 1 16 16 ILE CD1 C 13 14.018 0.2 . 1 . . . . . 130 I CD1 . 52595 1 97 . 1 . 1 16 16 ILE N N 15 121.753 0.2 . 1 . . . . . 130 I N . 52595 1 98 . 1 . 1 17 17 THR H H 1 9.022 0.02 . 1 . . . . . 131 T H . 52595 1 99 . 1 . 1 17 17 THR HA H 1 5.072 0.02 . 1 . . . . . 131 T HA . 52595 1 100 . 1 . 1 17 17 THR HB H 1 4.014 0.02 . 1 . . . . . 131 T HB . 52595 1 101 . 1 . 1 17 17 THR HG21 H 1 1.050 0.02 . 9 . . . . . 131 T HG21 . 52595 1 102 . 1 . 1 17 17 THR HG22 H 1 1.050 0.02 . 1 . . . . . 131 T HG22 . 52595 1 103 . 1 . 1 17 17 THR HG23 H 1 1.050 0.02 . 1 . . . . . 131 T HG23 . 52595 1 104 . 1 . 1 17 17 THR C C 13 173.943 0.2 . 1 . . . . . 131 T C . 52595 1 105 . 1 . 1 17 17 THR CA C 13 61.655 0.2 . 1 . . . . . 131 T CA . 52595 1 106 . 1 . 1 17 17 THR CB C 13 69.883 0.2 . 1 . . . . . 131 T CB . 52595 1 107 . 1 . 1 17 17 THR CG2 C 13 22.075 0.2 . 1 . . . . . 131 T CG2 . 52595 1 108 . 1 . 1 17 17 THR N N 15 122.429 0.2 . 1 . . . . . 131 T N . 52595 1 109 . 1 . 1 18 18 ILE H H 1 9.328 0.02 . 1 . . . . . 132 I H . 52595 1 110 . 1 . 1 18 18 ILE HA H 1 4.540 0.02 . 1 . . . . . 132 I HA . 52595 1 111 . 1 . 1 18 18 ILE HB H 1 1.803 0.02 . 1 . . . . . 132 I HB . 52595 1 112 . 1 . 1 18 18 ILE HG12 H 1 1.536 0.02 . 2 . . . . . 132 I HG12 . 52595 1 113 . 1 . 1 18 18 ILE HG13 H 1 0.835 0.02 . 2 . . . . . 132 I HG13 . 52595 1 114 . 1 . 1 18 18 ILE HG21 H 1 0.851 0.02 . 9 . . . . . 132 I HG21 . 52595 1 115 . 1 . 1 18 18 ILE HG22 H 1 0.851 0.02 . 1 . . . . . 132 I HG22 . 52595 1 116 . 1 . 1 18 18 ILE HG23 H 1 0.851 0.02 . 1 . . . . . 132 I HG23 . 52595 1 117 . 1 . 1 18 18 ILE HD11 H 1 0.543 0.02 . 9 . . . . . 132 I HD11 . 52595 1 118 . 1 . 1 18 18 ILE HD12 H 1 0.543 0.02 . 1 . . . . . 132 I HD12 . 52595 1 119 . 1 . 1 18 18 ILE HD13 H 1 0.543 0.02 . 1 . . . . . 132 I HD13 . 52595 1 120 . 1 . 1 18 18 ILE C C 13 174.388 0.2 . 1 . . . . . 132 I C . 52595 1 121 . 1 . 1 18 18 ILE CA C 13 60.988 0.2 . 1 . . . . . 132 I CA . 52595 1 122 . 1 . 1 18 18 ILE CB C 13 40.001 0.2 . 1 . . . . . 132 I CB . 52595 1 123 . 1 . 1 18 18 ILE CG1 C 13 27.500 0.2 . 1 . . . . . 132 I CG1 . 52595 1 124 . 1 . 1 18 18 ILE CG2 C 13 17.782 0.2 . 1 . . . . . 132 I CG2 . 52595 1 125 . 1 . 1 18 18 ILE CD1 C 13 14.126 0.2 . 1 . . . . . 132 I CD1 . 52595 1 126 . 1 . 1 18 18 ILE N N 15 127.192 0.2 . 1 . . . . . 132 I N . 52595 1 127 . 1 . 1 19 19 ASP H H 1 8.784 0.02 . 1 . . . . . 133 D H . 52595 1 128 . 1 . 1 19 19 ASP HA H 1 4.946 0.02 . 1 . . . . . 133 D HA . 52595 1 129 . 1 . 1 19 19 ASP HB2 H 1 2.995 0.02 . 2 . . . . . 133 D HB2 . 52595 1 130 . 1 . 1 19 19 ASP HB3 H 1 2.434 0.02 . 2 . . . . . 133 D HB3 . 52595 1 131 . 1 . 1 19 19 ASP C C 13 176.849 0.2 . 1 . . . . . 133 D C . 52595 1 132 . 1 . 1 19 19 ASP CA C 13 52.767 0.2 . 1 . . . . . 133 D CA . 52595 1 133 . 1 . 1 19 19 ASP CB C 13 42.143 0.2 . 1 . . . . . 133 D CB . 52595 1 134 . 1 . 1 19 19 ASP N N 15 127.143 0.2 . 1 . . . . . 133 D N . 52595 1 135 . 1 . 1 20 20 LYS H H 1 8.491 0.02 . 1 . . . . . 134 K H . 52595 1 136 . 1 . 1 20 20 LYS HA H 1 4.122 0.02 . 1 . . . . . 134 K HA . 52595 1 137 . 1 . 1 20 20 LYS HB2 H 1 1.730 0.02 . 2 . . . . . 134 K HB2 . 52595 1 138 . 1 . 1 20 20 LYS HB3 H 1 1.730 0.02 . 2 . . . . . 134 K HB3 . 52595 1 139 . 1 . 1 20 20 LYS HG2 H 1 1.364 0.02 . 2 . . . . . 134 K HG2 . 52595 1 140 . 1 . 1 20 20 LYS HG3 H 1 1.364 0.02 . 2 . . . . . 134 K HG3 . 52595 1 141 . 1 . 1 20 20 LYS HD2 H 1 1.585 0.02 . 2 . . . . . 134 K HD2 . 52595 1 142 . 1 . 1 20 20 LYS HD3 H 1 1.632 0.02 . 2 . . . . . 134 K HD3 . 52595 1 143 . 1 . 1 20 20 LYS HE2 H 1 2.762 0.02 . 2 . . . . . 134 K HE2 . 52595 1 144 . 1 . 1 20 20 LYS HE3 H 1 2.762 0.02 . 2 . . . . . 134 K HE3 . 52595 1 145 . 1 . 1 20 20 LYS C C 13 177.331 0.2 . 1 . . . . . 134 K C . 52595 1 146 . 1 . 1 20 20 LYS CA C 13 58.033 0.2 . 1 . . . . . 134 K CA . 52595 1 147 . 1 . 1 20 20 LYS CB C 13 32.823 0.2 . 1 . . . . . 134 K CB . 52595 1 148 . 1 . 1 20 20 LYS CG C 13 24.741 0.2 . 1 . . . . . 134 K CG . 52595 1 149 . 1 . 1 20 20 LYS CD C 13 29.488 0.2 . 1 . . . . . 134 K CD . 52595 1 150 . 1 . 1 20 20 LYS CE C 13 42.055 0.2 . 1 . . . . . 134 K CE . 52595 1 151 . 1 . 1 20 20 LYS N N 15 124.017 0.2 . 1 . . . . . 134 K N . 52595 1 152 . 1 . 1 21 21 ASN H H 1 8.452 0.02 . 1 . . . . . 135 N H . 52595 1 153 . 1 . 1 21 21 ASN HA H 1 4.448 0.02 . 1 . . . . . 135 N HA . 52595 1 154 . 1 . 1 21 21 ASN HB2 H 1 2.661 0.02 . 2 . . . . . 135 N HB2 . 52595 1 155 . 1 . 1 21 21 ASN HB3 H 1 2.661 0.02 . 2 . . . . . 135 N HB3 . 52595 1 156 . 1 . 1 21 21 ASN C C 13 175.089 0.2 . 1 . . . . . 135 N C . 52595 1 157 . 1 . 1 21 21 ASN CA C 13 54.592 0.2 . 1 . . . . . 135 N CA . 52595 1 158 . 1 . 1 21 21 ASN CB C 13 39.137 0.2 . 1 . . . . . 135 N CB . 52595 1 159 . 1 . 1 21 21 ASN N N 15 115.785 0.2 . 1 . . . . . 135 N N . 52595 1 160 . 1 . 1 22 22 ALA H H 1 7.402 0.02 . 1 . . . . . 136 A H . 52595 1 161 . 1 . 1 22 22 ALA HA H 1 4.169 0.02 . 1 . . . . . 136 A HA . 52595 1 162 . 1 . 1 22 22 ALA HB1 H 1 1.184 0.02 . 9 . . . . . 136 A HB1 . 52595 1 163 . 1 . 1 22 22 ALA HB2 H 1 1.184 0.02 . 1 . . . . . 136 A HB2 . 52595 1 164 . 1 . 1 22 22 ALA HB3 H 1 1.184 0.02 . 1 . . . . . 136 A HB3 . 52595 1 165 . 1 . 1 22 22 ALA C C 13 176.098 0.2 . 1 . . . . . 136 A C . 52595 1 166 . 1 . 1 22 22 ALA CA C 13 50.773 0.2 . 1 . . . . . 136 A CA . 52595 1 167 . 1 . 1 22 22 ALA CB C 13 20.284 0.2 . 1 . . . . . 136 A CB . 52595 1 168 . 1 . 1 22 22 ALA N N 15 119.967 0.2 . 1 . . . . . 136 A N . 52595 1 169 . 1 . 1 23 23 PHE H H 1 7.567 0.02 . 1 . . . . . 137 F H . 52595 1 170 . 1 . 1 23 23 PHE HA H 1 3.905 0.02 . 1 . . . . . 137 F HA . 52595 1 171 . 1 . 1 23 23 PHE HB2 H 1 2.967 0.02 . 2 . . . . . 137 F HB2 . 52595 1 172 . 1 . 1 23 23 PHE HB3 H 1 2.396 0.02 . 2 . . . . . 137 F HB3 . 52595 1 173 . 1 . 1 23 23 PHE HD1 H 1 6.675 0.02 . 3 . . . . . 137 F HD1 . 52595 1 174 . 1 . 1 23 23 PHE HD2 H 1 6.675 0.02 . 3 . . . . . 137 F HD2 . 52595 1 175 . 1 . 1 23 23 PHE HE1 H 1 7.151 0.02 . 3 . . . . . 137 F HE1 . 52595 1 176 . 1 . 1 23 23 PHE HE2 H 1 7.151 0.02 . 3 . . . . . 137 F HE2 . 52595 1 177 . 1 . 1 23 23 PHE HZ H 1 7.127 0.02 . 1 . . . . . 137 F HZ . 52595 1 178 . 1 . 1 23 23 PHE C C 13 174.481 0.2 . 1 . . . . . 137 F C . 52595 1 179 . 1 . 1 23 23 PHE CA C 13 56.931 0.2 . 1 . . . . . 137 F CA . 52595 1 180 . 1 . 1 23 23 PHE CB C 13 35.457 0.2 . 1 . . . . . 137 F CB . 52595 1 181 . 1 . 1 23 23 PHE CD1 C 13 131.304 0.2 . 3 . . . . . 137 F CD1 . 52595 1 182 . 1 . 1 23 23 PHE CD2 C 13 131.304 0.2 . 3 . . . . . 137 F CD2 . 52595 1 183 . 1 . 1 23 23 PHE CE1 C 13 131.252 0.2 . 3 . . . . . 137 F CE1 . 52595 1 184 . 1 . 1 23 23 PHE CE2 C 13 131.252 0.2 . 3 . . . . . 137 F CE2 . 52595 1 185 . 1 . 1 23 23 PHE CZ C 13 128.875 0.2 . 1 . . . . . 137 F CZ . 52595 1 186 . 1 . 1 23 23 PHE N N 15 117.382 0.2 . 1 . . . . . 137 F N . 52595 1 187 . 1 . 1 24 24 LYS H H 1 7.553 0.02 . 1 . . . . . 138 K H . 52595 1 188 . 1 . 1 24 24 LYS HA H 1 4.906 0.02 . 1 . . . . . 138 K HA . 52595 1 189 . 1 . 1 24 24 LYS HB2 H 1 1.621 0.02 . 2 . . . . . 138 K HB2 . 52595 1 190 . 1 . 1 24 24 LYS HB3 H 1 1.585 0.02 . 2 . . . . . 138 K HB3 . 52595 1 191 . 1 . 1 24 24 LYS HG2 H 1 1.372 0.02 . 2 . . . . . 138 K HG2 . 52595 1 192 . 1 . 1 24 24 LYS HG3 H 1 1.293 0.02 . 2 . . . . . 138 K HG3 . 52595 1 193 . 1 . 1 24 24 LYS HD2 H 1 1.557 0.02 . 2 . . . . . 138 K HD2 . 52595 1 194 . 1 . 1 24 24 LYS HD3 H 1 1.599 0.02 . 2 . . . . . 138 K HD3 . 52595 1 195 . 1 . 1 24 24 LYS HE2 H 1 2.857 0.02 . 2 . . . . . 138 K HE2 . 52595 1 196 . 1 . 1 24 24 LYS HE3 H 1 2.857 0.02 . 2 . . . . . 138 K HE3 . 52595 1 197 . 1 . 1 24 24 LYS C C 13 174.854 0.2 . 1 . . . . . 138 K C . 52595 1 198 . 1 . 1 24 24 LYS CA C 13 54.860 0.2 . 1 . . . . . 138 K CA . 52595 1 199 . 1 . 1 24 24 LYS CB C 13 37.289 0.2 . 1 . . . . . 138 K CB . 52595 1 200 . 1 . 1 24 24 LYS CG C 13 24.771 0.2 . 1 . . . . . 138 K CG . 52595 1 201 . 1 . 1 24 24 LYS CD C 13 29.370 0.2 . 1 . . . . . 138 K CD . 52595 1 202 . 1 . 1 24 24 LYS CE C 13 41.941 0.2 . 1 . . . . . 138 K CE . 52595 1 203 . 1 . 1 24 24 LYS N N 15 117.536 0.2 . 1 . . . . . 138 K N . 52595 1 204 . 1 . 1 25 25 VAL H H 1 9.254 0.02 . 1 . . . . . 139 V H . 52595 1 205 . 1 . 1 25 25 VAL HA H 1 5.107 0.02 . 1 . . . . . 139 V HA . 52595 1 206 . 1 . 1 25 25 VAL HB H 1 2.003 0.02 . 1 . . . . . 139 V HB . 52595 1 207 . 1 . 1 25 25 VAL HG11 H 1 0.721 0.02 . 2 . . . . . 139 V HG11 . 52595 1 208 . 1 . 1 25 25 VAL HG12 H 1 0.721 0.02 . 2 . . . . . 139 V HG12 . 52595 1 209 . 1 . 1 25 25 VAL HG13 H 1 0.721 0.02 . 2 . . . . . 139 V HG13 . 52595 1 210 . 1 . 1 25 25 VAL HG21 H 1 0.977 0.02 . 2 . . . . . 139 V HG21 . 52595 1 211 . 1 . 1 25 25 VAL HG22 H 1 0.977 0.02 . 2 . . . . . 139 V HG22 . 52595 1 212 . 1 . 1 25 25 VAL HG23 H 1 0.977 0.02 . 2 . . . . . 139 V HG23 . 52595 1 213 . 1 . 1 25 25 VAL C C 13 174.692 0.2 . 1 . . . . . 139 V C . 52595 1 214 . 1 . 1 25 25 VAL CA C 13 60.684 0.2 . 1 . . . . . 139 V CA . 52595 1 215 . 1 . 1 25 25 VAL CB C 13 33.954 0.2 . 1 . . . . . 139 V CB . 52595 1 216 . 1 . 1 25 25 VAL CG1 C 13 21.558 0.2 . 1 . . . . . 139 V CG1 . 52595 1 217 . 1 . 1 25 25 VAL CG2 C 13 22.445 0.2 . 1 . . . . . 139 V CG2 . 52595 1 218 . 1 . 1 25 25 VAL N N 15 126.117 0.2 . 1 . . . . . 139 V N . 52595 1 219 . 1 . 1 26 26 THR H H 1 8.939 0.02 . 1 . . . . . 140 T H . 52595 1 220 . 1 . 1 26 26 THR HA H 1 5.364 0.02 . 1 . . . . . 140 T HA . 52595 1 221 . 1 . 1 26 26 THR HB H 1 3.653 0.02 . 1 . . . . . 140 T HB . 52595 1 222 . 1 . 1 26 26 THR HG21 H 1 0.946 0.02 . 9 . . . . . 140 T HG21 . 52595 1 223 . 1 . 1 26 26 THR HG22 H 1 0.946 0.02 . 1 . . . . . 140 T HG22 . 52595 1 224 . 1 . 1 26 26 THR HG23 H 1 0.946 0.02 . 1 . . . . . 140 T HG23 . 52595 1 225 . 1 . 1 26 26 THR C C 13 173.675 0.2 . 1 . . . . . 140 T C . 52595 1 226 . 1 . 1 26 26 THR CA C 13 58.992 0.2 . 1 . . . . . 140 T CA . 52595 1 227 . 1 . 1 26 26 THR CB C 13 72.431 0.2 . 1 . . . . . 140 T CB . 52595 1 228 . 1 . 1 26 26 THR CG2 C 13 21.465 0.2 . 1 . . . . . 140 T CG2 . 52595 1 229 . 1 . 1 26 26 THR N N 15 117.360 0.2 . 1 . . . . . 140 T N . 52595 1 230 . 1 . 1 27 27 VAL H H 1 8.784 0.02 . 1 . . . . . 141 V H . 52595 1 231 . 1 . 1 27 27 VAL HA H 1 4.416 0.02 . 1 . . . . . 141 V HA . 52595 1 232 . 1 . 1 27 27 VAL HB H 1 1.551 0.02 . 1 . . . . . 141 V HB . 52595 1 233 . 1 . 1 27 27 VAL HG11 H 1 0.656 0.02 . 2 . . . . . 141 V HG11 . 52595 1 234 . 1 . 1 27 27 VAL HG12 H 1 0.656 0.02 . 2 . . . . . 141 V HG12 . 52595 1 235 . 1 . 1 27 27 VAL HG13 H 1 0.656 0.02 . 2 . . . . . 141 V HG13 . 52595 1 236 . 1 . 1 27 27 VAL HG21 H 1 0.709 0.02 . 2 . . . . . 141 V HG21 . 52595 1 237 . 1 . 1 27 27 VAL HG22 H 1 0.709 0.02 . 2 . . . . . 141 V HG22 . 52595 1 238 . 1 . 1 27 27 VAL HG23 H 1 0.709 0.02 . 2 . . . . . 141 V HG23 . 52595 1 239 . 1 . 1 27 27 VAL C C 13 175.524 0.2 . 1 . . . . . 141 V C . 52595 1 240 . 1 . 1 27 27 VAL CA C 13 60.744 0.2 . 1 . . . . . 141 V CA . 52595 1 241 . 1 . 1 27 27 VAL CB C 13 33.330 0.2 . 1 . . . . . 141 V CB . 52595 1 242 . 1 . 1 27 27 VAL CG1 C 13 21.172 0.2 . 1 . . . . . 141 V CG1 . 52595 1 243 . 1 . 1 27 27 VAL CG2 C 13 20.630 0.2 . 1 . . . . . 141 V CG2 . 52595 1 244 . 1 . 1 27 27 VAL N N 15 120.239 0.2 . 1 . . . . . 141 V N . 52595 1 245 . 1 . 1 28 28 ASN H H 1 9.328 0.02 . 1 . . . . . 142 N H . 52595 1 246 . 1 . 1 28 28 ASN HA H 1 4.372 0.02 . 1 . . . . . 142 N HA . 52595 1 247 . 1 . 1 28 28 ASN HB2 H 1 2.833 0.02 . 2 . . . . . 142 N HB2 . 52595 1 248 . 1 . 1 28 28 ASN HB3 H 1 3.107 0.02 . 2 . . . . . 142 N HB3 . 52595 1 249 . 1 . 1 28 28 ASN C C 13 175.541 0.2 . 1 . . . . . 142 N C . 52595 1 250 . 1 . 1 28 28 ASN CA C 13 54.204 0.2 . 1 . . . . . 142 N CA . 52595 1 251 . 1 . 1 28 28 ASN CB C 13 37.961 0.2 . 1 . . . . . 142 N CB . 52595 1 252 . 1 . 1 28 28 ASN N N 15 127.192 0.2 . 1 . . . . . 142 N N . 52595 1 253 . 1 . 1 29 29 GLY H H 1 8.500 0.02 . 1 . . . . . 143 G H . 52595 1 254 . 1 . 1 29 29 GLY HA2 H 1 4.243 0.02 . 2 . . . . . 143 G HA2 . 52595 1 255 . 1 . 1 29 29 GLY HA3 H 1 3.515 0.02 . 2 . . . . . 143 G HA3 . 52595 1 256 . 1 . 1 29 29 GLY C C 13 173.118 0.2 . 1 . . . . . 143 G C . 52595 1 257 . 1 . 1 29 29 GLY CA C 13 45.259 0.2 . 1 . . . . . 143 G CA . 52595 1 258 . 1 . 1 29 29 GLY N N 15 103.542 0.2 . 1 . . . . . 143 G N . 52595 1 259 . 1 . 1 30 30 ALA H H 1 7.937 0.02 . 1 . . . . . 144 A H . 52595 1 260 . 1 . 1 30 30 ALA HA H 1 4.599 0.02 . 1 . . . . . 144 A HA . 52595 1 261 . 1 . 1 30 30 ALA HB1 H 1 1.442 0.02 . 9 . . . . . 144 A HB1 . 52595 1 262 . 1 . 1 30 30 ALA HB2 H 1 1.442 0.02 . 1 . . . . . 144 A HB2 . 52595 1 263 . 1 . 1 30 30 ALA HB3 H 1 1.442 0.02 . 1 . . . . . 144 A HB3 . 52595 1 264 . 1 . 1 30 30 ALA C C 13 176.114 0.2 . 1 . . . . . 144 A C . 52595 1 265 . 1 . 1 30 30 ALA CA C 13 51.013 0.2 . 1 . . . . . 144 A CA . 52595 1 266 . 1 . 1 30 30 ALA CB C 13 19.986 0.2 . 1 . . . . . 144 A CB . 52595 1 267 . 1 . 1 30 30 ALA N N 15 125.489 0.2 . 1 . . . . . 144 A N . 52595 1 268 . 1 . 1 31 31 GLU H H 1 8.556 0.02 . 1 . . . . . 145 E H . 52595 1 269 . 1 . 1 31 31 GLU HA H 1 4.565 0.02 . 1 . . . . . 145 E HA . 52595 1 270 . 1 . 1 31 31 GLU HB2 H 1 1.920 0.02 . 2 . . . . . 145 E HB2 . 52595 1 271 . 1 . 1 31 31 GLU HB3 H 1 1.920 0.02 . 2 . . . . . 145 E HB3 . 52595 1 272 . 1 . 1 31 31 GLU HG2 H 1 2.314 0.02 . 2 . . . . . 145 E HG2 . 52595 1 273 . 1 . 1 31 31 GLU HG3 H 1 2.089 0.02 . 2 . . . . . 145 E HG3 . 52595 1 274 . 1 . 1 31 31 GLU C C 13 176.466 0.2 . 1 . . . . . 145 E C . 52595 1 275 . 1 . 1 31 31 GLU CA C 13 56.492 0.2 . 1 . . . . . 145 E CA . 52595 1 276 . 1 . 1 31 31 GLU CB C 13 30.665 0.2 . 1 . . . . . 145 E CB . 52595 1 277 . 1 . 1 31 31 GLU CG C 13 36.526 0.2 . 1 . . . . . 145 E CG . 52595 1 278 . 1 . 1 31 31 GLU N N 15 122.363 0.2 . 1 . . . . . 145 E N . 52595 1 279 . 1 . 1 32 32 ILE H H 1 8.510 0.02 . 1 . . . . . 146 I H . 52595 1 280 . 1 . 1 32 32 ILE HA H 1 4.296 0.02 . 1 . . . . . 146 I HA . 52595 1 281 . 1 . 1 32 32 ILE HB H 1 1.630 0.02 . 1 . . . . . 146 I HB . 52595 1 282 . 1 . 1 32 32 ILE HG12 H 1 0.823 0.02 . 2 . . . . . 146 I HG12 . 52595 1 283 . 1 . 1 32 32 ILE HG13 H 1 1.227 0.02 . 2 . . . . . 146 I HG13 . 52595 1 284 . 1 . 1 32 32 ILE HG21 H 1 0.758 0.02 . 9 . . . . . 146 I HG21 . 52595 1 285 . 1 . 1 32 32 ILE HG22 H 1 0.758 0.02 . 1 . . . . . 146 I HG22 . 52595 1 286 . 1 . 1 32 32 ILE HG23 H 1 0.758 0.02 . 1 . . . . . 146 I HG23 . 52595 1 287 . 1 . 1 32 32 ILE HD11 H 1 0.450 0.02 . 9 . . . . . 146 I HD11 . 52595 1 288 . 1 . 1 32 32 ILE HD12 H 1 0.450 0.02 . 1 . . . . . 146 I HD12 . 52595 1 289 . 1 . 1 32 32 ILE HD13 H 1 0.450 0.02 . 1 . . . . . 146 I HD13 . 52595 1 290 . 1 . 1 32 32 ILE C C 13 175.053 0.2 . 1 . . . . . 146 I C . 52595 1 291 . 1 . 1 32 32 ILE CA C 13 60.034 0.2 . 1 . . . . . 146 I CA . 52595 1 292 . 1 . 1 32 32 ILE CB C 13 39.013 0.2 . 1 . . . . . 146 I CB . 52595 1 293 . 1 . 1 32 32 ILE CG1 C 13 26.540 0.2 . 1 . . . . . 146 I CG1 . 52595 1 294 . 1 . 1 32 32 ILE CG2 C 13 17.561 0.2 . 1 . . . . . 146 I CG2 . 52595 1 295 . 1 . 1 32 32 ILE CD1 C 13 13.222 0.2 . 1 . . . . . 146 I CD1 . 52595 1 296 . 1 . 1 32 32 ILE N N 15 124.635 0.2 . 1 . . . . . 146 I N . 52595 1 297 . 1 . 1 33 33 GLU H H 1 8.613 0.02 . 1 . . . . . 147 E H . 52595 1 298 . 1 . 1 33 33 GLU HA H 1 4.441 0.02 . 1 . . . . . 147 E HA . 52595 1 299 . 1 . 1 33 33 GLU HB2 H 1 1.977 0.02 . 2 . . . . . 147 E HB2 . 52595 1 300 . 1 . 1 33 33 GLU HB3 H 1 2.031 0.02 . 2 . . . . . 147 E HB3 . 52595 1 301 . 1 . 1 33 33 GLU HG2 H 1 2.131 0.02 . 2 . . . . . 147 E HG2 . 52595 1 302 . 1 . 1 33 33 GLU HG3 H 1 2.272 0.02 . 2 . . . . . 147 E HG3 . 52595 1 303 . 1 . 1 33 33 GLU C C 13 175.300 0.2 . 1 . . . . . 147 E C . 52595 1 304 . 1 . 1 33 33 GLU CA C 13 56.616 0.2 . 1 . . . . . 147 E CA . 52595 1 305 . 1 . 1 33 33 GLU CB C 13 29.513 0.2 . 1 . . . . . 147 E CB . 52595 1 306 . 1 . 1 33 33 GLU CG C 13 36.270 0.2 . 1 . . . . . 147 E CG . 52595 1 307 . 1 . 1 33 33 GLU N N 15 127.695 0.2 . 1 . . . . . 147 E N . 52595 1 308 . 1 . 1 34 34 LEU H H 1 8.324 0.02 . 1 . . . . . 148 L H . 52595 1 309 . 1 . 1 34 34 LEU HA H 1 4.865 0.02 . 1 . . . . . 148 L HA . 52595 1 310 . 1 . 1 34 34 LEU HB2 H 1 1.787 0.02 . 2 . . . . . 148 L HB2 . 52595 1 311 . 1 . 1 34 34 LEU HB3 H 1 1.828 0.02 . 2 . . . . . 148 L HB3 . 52595 1 312 . 1 . 1 34 34 LEU HG H 1 1.665 0.02 . 1 . . . . . 148 L HG . 52595 1 313 . 1 . 1 34 34 LEU HD11 H 1 0.834 0.02 . 2 . . . . . 148 L HD11 . 52595 1 314 . 1 . 1 34 34 LEU HD12 H 1 0.834 0.02 . 2 . . . . . 148 L HD12 . 52595 1 315 . 1 . 1 34 34 LEU HD13 H 1 0.834 0.02 . 2 . . . . . 148 L HD13 . 52595 1 316 . 1 . 1 34 34 LEU HD21 H 1 0.814 0.02 . 2 . . . . . 148 L HD21 . 52595 1 317 . 1 . 1 34 34 LEU HD22 H 1 0.814 0.02 . 2 . . . . . 148 L HD22 . 52595 1 318 . 1 . 1 34 34 LEU HD23 H 1 0.814 0.02 . 2 . . . . . 148 L HD23 . 52595 1 319 . 1 . 1 34 34 LEU C C 13 178.049 0.2 . 1 . . . . . 148 L C . 52595 1 320 . 1 . 1 34 34 LEU CA C 13 53.469 0.2 . 1 . . . . . 148 L CA . 52595 1 321 . 1 . 1 34 34 LEU CB C 13 44.903 0.2 . 1 . . . . . 148 L CB . 52595 1 322 . 1 . 1 34 34 LEU CG C 13 26.470 0.2 . 1 . . . . . 148 L CG . 52595 1 323 . 1 . 1 34 34 LEU CD1 C 13 27.392 0.2 . 1 . . . . . 148 L CD1 . 52595 1 324 . 1 . 1 34 34 LEU CD2 C 13 23.372 0.2 . 1 . . . . . 148 L CD2 . 52595 1 325 . 1 . 1 34 34 LEU N N 15 126.476 0.2 . 1 . . . . . 148 L N . 52595 1 326 . 1 . 1 35 35 THR H H 1 8.940 0.02 . 1 . . . . . 149 T H . 52595 1 327 . 1 . 1 35 35 THR HA H 1 4.485 0.02 . 1 . . . . . 149 T HA . 52595 1 328 . 1 . 1 35 35 THR HB H 1 4.720 0.02 . 1 . . . . . 149 T HB . 52595 1 329 . 1 . 1 35 35 THR HG21 H 1 1.349 0.02 . 9 . . . . . 149 T HG21 . 52595 1 330 . 1 . 1 35 35 THR HG22 H 1 1.349 0.02 . 1 . . . . . 149 T HG22 . 52595 1 331 . 1 . 1 35 35 THR HG23 H 1 1.349 0.02 . 1 . . . . . 149 T HG23 . 52595 1 332 . 1 . 1 35 35 THR C C 13 174.956 0.2 . 1 . . . . . 149 T C . 52595 1 333 . 1 . 1 35 35 THR CA C 13 61.185 0.2 . 1 . . . . . 149 T CA . 52595 1 334 . 1 . 1 35 35 THR CB C 13 71.306 0.2 . 1 . . . . . 149 T CB . 52595 1 335 . 1 . 1 35 35 THR CG2 C 13 21.947 0.2 . 1 . . . . . 149 T CG2 . 52595 1 336 . 1 . 1 35 35 THR N N 15 113.765 0.2 . 1 . . . . . 149 T N . 52595 1 337 . 1 . 1 36 36 LYS H H 1 8.769 0.02 . 1 . . . . . 150 K H . 52595 1 338 . 1 . 1 36 36 LYS HA H 1 3.881 0.02 . 1 . . . . . 150 K HA . 52595 1 339 . 1 . 1 36 36 LYS HB2 H 1 1.789 0.02 . 2 . . . . . 150 K HB2 . 52595 1 340 . 1 . 1 36 36 LYS HB3 H 1 1.789 0.02 . 2 . . . . . 150 K HB3 . 52595 1 341 . 1 . 1 36 36 LYS HG2 H 1 1.294 0.02 . 2 . . . . . 150 K HG2 . 52595 1 342 . 1 . 1 36 36 LYS HG3 H 1 1.294 0.02 . 2 . . . . . 150 K HG3 . 52595 1 343 . 1 . 1 36 36 LYS HD2 H 1 1.783 0.02 . 2 . . . . . 150 K HD2 . 52595 1 344 . 1 . 1 36 36 LYS HD3 H 1 1.783 0.02 . 2 . . . . . 150 K HD3 . 52595 1 345 . 1 . 1 36 36 LYS C C 13 177.499 0.2 . 1 . . . . . 150 K C . 52595 1 346 . 1 . 1 36 36 LYS CA C 13 59.648 0.2 . 1 . . . . . 150 K CA . 52595 1 347 . 1 . 1 36 36 LYS CB C 13 31.857 0.2 . 1 . . . . . 150 K CB . 52595 1 348 . 1 . 1 36 36 LYS CG C 13 24.539 0.2 . 1 . . . . . 150 K CG . 52595 1 349 . 1 . 1 36 36 LYS CD C 13 29.373 0.2 . 1 . . . . . 150 K CD . 52595 1 350 . 1 . 1 36 36 LYS N N 15 122.073 0.2 . 1 . . . . . 150 K N . 52595 1 351 . 1 . 1 37 37 THR H H 1 7.824 0.02 . 1 . . . . . 151 T H . 52595 1 352 . 1 . 1 37 37 THR HA H 1 3.639 0.02 . 1 . . . . . 151 T HA . 52595 1 353 . 1 . 1 37 37 THR HB H 1 3.682 0.02 . 1 . . . . . 151 T HB . 52595 1 354 . 1 . 1 37 37 THR HG21 H 1 0.317 0.02 . 9 . . . . . 151 T HG21 . 52595 1 355 . 1 . 1 37 37 THR HG22 H 1 0.317 0.02 . 1 . . . . . 151 T HG22 . 52595 1 356 . 1 . 1 37 37 THR HG23 H 1 0.317 0.02 . 1 . . . . . 151 T HG23 . 52595 1 357 . 1 . 1 37 37 THR C C 13 175.862 0.2 . 1 . . . . . 151 T C . 52595 1 358 . 1 . 1 37 37 THR CA C 13 66.668 0.2 . 1 . . . . . 151 T CA . 52595 1 359 . 1 . 1 37 37 THR CB C 13 68.949 0.2 . 1 . . . . . 151 T CB . 52595 1 360 . 1 . 1 37 37 THR CG2 C 13 22.807 0.2 . 1 . . . . . 151 T CG2 . 52595 1 361 . 1 . 1 37 37 THR N N 15 112.596 0.2 . 1 . . . . . 151 T N . 52595 1 362 . 1 . 1 38 38 GLU H H 1 7.267 0.02 . 1 . . . . . 152 E H . 52595 1 363 . 1 . 1 38 38 GLU HA H 1 3.777 0.02 . 1 . . . . . 152 E HA . 52595 1 364 . 1 . 1 38 38 GLU HB2 H 1 2.024 0.02 . 2 . . . . . 152 E HB2 . 52595 1 365 . 1 . 1 38 38 GLU HB3 H 1 2.534 0.02 . 2 . . . . . 152 E HB3 . 52595 1 366 . 1 . 1 38 38 GLU HG2 H 1 2.533 0.02 . 2 . . . . . 152 E HG2 . 52595 1 367 . 1 . 1 38 38 GLU HG3 H 1 2.325 0.02 . 2 . . . . . 152 E HG3 . 52595 1 368 . 1 . 1 38 38 GLU C C 13 177.719 0.2 . 1 . . . . . 152 E C . 52595 1 369 . 1 . 1 38 38 GLU CA C 13 60.239 0.2 . 1 . . . . . 152 E CA . 52595 1 370 . 1 . 1 38 38 GLU CB C 13 31.427 0.2 . 1 . . . . . 152 E CB . 52595 1 371 . 1 . 1 38 38 GLU CG C 13 37.798 0.2 . 1 . . . . . 152 E CG . 52595 1 372 . 1 . 1 38 38 GLU N N 15 118.767 0.2 . 1 . . . . . 152 E N . 52595 1 373 . 1 . 1 39 39 TYR H H 1 8.840 0.02 . 1 . . . . . 153 Y H . 52595 1 374 . 1 . 1 39 39 TYR HA H 1 3.756 0.02 . 1 . . . . . 153 Y HA . 52595 1 375 . 1 . 1 39 39 TYR HB2 H 1 3.254 0.02 . 2 . . . . . 153 Y HB2 . 52595 1 376 . 1 . 1 39 39 TYR HB3 H 1 2.854 0.02 . 2 . . . . . 153 Y HB3 . 52595 1 377 . 1 . 1 39 39 TYR HD1 H 1 7.052 0.02 . 3 . . . . . 153 Y HD1 . 52595 1 378 . 1 . 1 39 39 TYR HD2 H 1 7.052 0.02 . 3 . . . . . 153 Y HD2 . 52595 1 379 . 1 . 1 39 39 TYR HE1 H 1 6.495 0.02 . 3 . . . . . 153 Y HE1 . 52595 1 380 . 1 . 1 39 39 TYR HE2 H 1 6.490 0.02 . 3 . . . . . 153 Y HE2 . 52595 1 381 . 1 . 1 39 39 TYR C C 13 176.552 0.2 . 1 . . . . . 153 Y C . 52595 1 382 . 1 . 1 39 39 TYR CA C 13 62.391 0.2 . 1 . . . . . 153 Y CA . 52595 1 383 . 1 . 1 39 39 TYR CB C 13 38.077 0.2 . 1 . . . . . 153 Y CB . 52595 1 384 . 1 . 1 39 39 TYR CD1 C 13 133.430 0.2 . 3 . . . . . 153 Y CD1 . 52595 1 385 . 1 . 1 39 39 TYR CD2 C 13 133.430 0.2 . 3 . . . . . 153 Y CD2 . 52595 1 386 . 1 . 1 39 39 TYR CE1 C 13 117.463 0.2 . 3 . . . . . 153 Y CE1 . 52595 1 387 . 1 . 1 39 39 TYR CE2 C 13 117.463 0.2 . 3 . . . . . 153 Y CE2 . 52595 1 388 . 1 . 1 39 39 TYR N N 15 119.328 0.2 . 1 . . . . . 153 Y N . 52595 1 389 . 1 . 1 40 40 ASP H H 1 8.974 0.02 . 1 . . . . . 154 D H . 52595 1 390 . 1 . 1 40 40 ASP HA H 1 4.276 0.02 . 1 . . . . . 154 D HA . 52595 1 391 . 1 . 1 40 40 ASP HB2 H 1 2.681 0.02 . 2 . . . . . 154 D HB2 . 52595 1 392 . 1 . 1 40 40 ASP HB3 H 1 2.413 0.02 . 2 . . . . . 154 D HB3 . 52595 1 393 . 1 . 1 40 40 ASP C C 13 179.422 0.2 . 1 . . . . . 154 D C . 52595 1 394 . 1 . 1 40 40 ASP CA C 13 57.391 0.2 . 1 . . . . . 154 D CA . 52595 1 395 . 1 . 1 40 40 ASP CB C 13 40.393 0.2 . 1 . . . . . 154 D CB . 52595 1 396 . 1 . 1 40 40 ASP N N 15 120.301 0.2 . 1 . . . . . 154 D N . 52595 1 397 . 1 . 1 41 41 LEU H H 1 7.911 0.02 . 1 . . . . . 155 L H . 52595 1 398 . 1 . 1 41 41 LEU HA H 1 3.890 0.02 . 1 . . . . . 155 L HA . 52595 1 399 . 1 . 1 41 41 LEU HB2 H 1 1.844 0.02 . 2 . . . . . 155 L HB2 . 52595 1 400 . 1 . 1 41 41 LEU HB3 H 1 1.518 0.02 . 2 . . . . . 155 L HB3 . 52595 1 401 . 1 . 1 41 41 LEU HG H 1 1.479 0.02 . 1 . . . . . 155 L HG . 52595 1 402 . 1 . 1 41 41 LEU HD11 H 1 0.919 0.02 . 2 . . . . . 155 L HD11 . 52595 1 403 . 1 . 1 41 41 LEU HD12 H 1 0.919 0.02 . 2 . . . . . 155 L HD12 . 52595 1 404 . 1 . 1 41 41 LEU HD13 H 1 0.919 0.02 . 2 . . . . . 155 L HD13 . 52595 1 405 . 1 . 1 41 41 LEU HD21 H 1 0.881 0.02 . 2 . . . . . 155 L HD21 . 52595 1 406 . 1 . 1 41 41 LEU HD22 H 1 0.881 0.02 . 2 . . . . . 155 L HD22 . 52595 1 407 . 1 . 1 41 41 LEU HD23 H 1 0.881 0.02 . 2 . . . . . 155 L HD23 . 52595 1 408 . 1 . 1 41 41 LEU C C 13 176.791 0.2 . 1 . . . . . 155 L C . 52595 1 409 . 1 . 1 41 41 LEU CA C 13 58.186 0.2 . 1 . . . . . 155 L CA . 52595 1 410 . 1 . 1 41 41 LEU CB C 13 42.518 0.2 . 1 . . . . . 155 L CB . 52595 1 411 . 1 . 1 41 41 LEU CG C 13 27.369 0.2 . 1 . . . . . 155 L CG . 52595 1 412 . 1 . 1 41 41 LEU CD1 C 13 25.484 0.2 . 1 . . . . . 155 L CD1 . 52595 1 413 . 1 . 1 41 41 LEU CD2 C 13 26.537 0.2 . 1 . . . . . 155 L CD2 . 52595 1 414 . 1 . 1 41 41 LEU N N 15 121.467 0.2 . 1 . . . . . 155 L N . 52595 1 415 . 1 . 1 42 42 LEU H H 1 8.190 0.02 . 1 . . . . . 156 L H . 52595 1 416 . 1 . 1 42 42 LEU HA H 1 3.734 0.02 . 1 . . . . . 156 L HA . 52595 1 417 . 1 . 1 42 42 LEU HB2 H 1 1.799 0.02 . 2 . . . . . 156 L HB2 . 52595 1 418 . 1 . 1 42 42 LEU HB3 H 1 1.502 0.02 . 2 . . . . . 156 L HB3 . 52595 1 419 . 1 . 1 42 42 LEU HG H 1 1.408 0.02 . 1 . . . . . 156 L HG . 52595 1 420 . 1 . 1 42 42 LEU HD11 H 1 0.781 0.02 . 2 . . . . . 156 L HD11 . 52595 1 421 . 1 . 1 42 42 LEU HD12 H 1 0.781 0.02 . 2 . . . . . 156 L HD12 . 52595 1 422 . 1 . 1 42 42 LEU HD13 H 1 0.781 0.02 . 2 . . . . . 156 L HD13 . 52595 1 423 . 1 . 1 42 42 LEU HD21 H 1 0.742 0.02 . 2 . . . . . 156 L HD21 . 52595 1 424 . 1 . 1 42 42 LEU HD22 H 1 0.742 0.02 . 2 . . . . . 156 L HD22 . 52595 1 425 . 1 . 1 42 42 LEU HD23 H 1 0.742 0.02 . 2 . . . . . 156 L HD23 . 52595 1 426 . 1 . 1 42 42 LEU C C 13 177.578 0.2 . 1 . . . . . 156 L C . 52595 1 427 . 1 . 1 42 42 LEU CA C 13 58.114 0.2 . 1 . . . . . 156 L CA . 52595 1 428 . 1 . 1 42 42 LEU CB C 13 41.018 0.2 . 1 . . . . . 156 L CB . 52595 1 429 . 1 . 1 42 42 LEU CG C 13 26.884 0.2 . 1 . . . . . 156 L CG . 52595 1 430 . 1 . 1 42 42 LEU CD1 C 13 22.422 0.2 . 1 . . . . . 156 L CD1 . 52595 1 431 . 1 . 1 42 42 LEU CD2 C 13 26.880 0.2 . 1 . . . . . 156 L CD2 . 52595 1 432 . 1 . 1 42 42 LEU N N 15 119.637 0.2 . 1 . . . . . 156 L N . 52595 1 433 . 1 . 1 43 43 TYR H H 1 9.095 0.02 . 1 . . . . . 157 Y H . 52595 1 434 . 1 . 1 43 43 TYR HA H 1 3.526 0.02 . 1 . . . . . 157 Y HA . 52595 1 435 . 1 . 1 43 43 TYR HB2 H 1 2.823 0.02 . 2 . . . . . 157 Y HB2 . 52595 1 436 . 1 . 1 43 43 TYR HB3 H 1 2.450 0.02 . 2 . . . . . 157 Y HB3 . 52595 1 437 . 1 . 1 43 43 TYR HD1 H 1 6.875 0.02 . 3 . . . . . 157 Y HD1 . 52595 1 438 . 1 . 1 43 43 TYR HD2 H 1 6.875 0.02 . 3 . . . . . 157 Y HD2 . 52595 1 439 . 1 . 1 43 43 TYR HE1 H 1 6.725 0.02 . 3 . . . . . 157 Y HE1 . 52595 1 440 . 1 . 1 43 43 TYR HE2 H 1 6.725 0.02 . 3 . . . . . 157 Y HE2 . 52595 1 441 . 1 . 1 43 43 TYR C C 13 176.621 0.2 . 1 . . . . . 157 Y C . 52595 1 442 . 1 . 1 43 43 TYR CA C 13 61.937 0.2 . 1 . . . . . 157 Y CA . 52595 1 443 . 1 . 1 43 43 TYR CB C 13 38.196 0.2 . 1 . . . . . 157 Y CB . 52595 1 444 . 1 . 1 43 43 TYR CD1 C 13 132.940 0.2 . 3 . . . . . 157 Y CD1 . 52595 1 445 . 1 . 1 43 43 TYR CD2 C 13 132.940 0.2 . 3 . . . . . 157 Y CD2 . 52595 1 446 . 1 . 1 43 43 TYR CE1 C 13 118.441 0.2 . 3 . . . . . 157 Y CE1 . 52595 1 447 . 1 . 1 43 43 TYR CE2 C 13 118.441 0.2 . 3 . . . . . 157 Y CE2 . 52595 1 448 . 1 . 1 43 43 TYR N N 15 118.077 0.2 . 1 . . . . . 157 Y N . 52595 1 449 . 1 . 1 44 44 LEU H H 1 7.638 0.02 . 1 . . . . . 158 L H . 52595 1 450 . 1 . 1 44 44 LEU HA H 1 3.919 0.02 . 1 . . . . . 158 L HA . 52595 1 451 . 1 . 1 44 44 LEU HB2 H 1 1.926 0.02 . 2 . . . . . 158 L HB2 . 52595 1 452 . 1 . 1 44 44 LEU HB3 H 1 1.481 0.02 . 2 . . . . . 158 L HB3 . 52595 1 453 . 1 . 1 44 44 LEU HG H 1 1.298 0.02 . 1 . . . . . 158 L HG . 52595 1 454 . 1 . 1 44 44 LEU HD11 H 1 0.370 0.02 . 2 . . . . . 158 L HD11 . 52595 1 455 . 1 . 1 44 44 LEU HD12 H 1 0.370 0.02 . 2 . . . . . 158 L HD12 . 52595 1 456 . 1 . 1 44 44 LEU HD13 H 1 0.370 0.02 . 2 . . . . . 158 L HD13 . 52595 1 457 . 1 . 1 44 44 LEU HD21 H 1 0.801 0.02 . 2 . . . . . 158 L HD21 . 52595 1 458 . 1 . 1 44 44 LEU HD22 H 1 0.801 0.02 . 2 . . . . . 158 L HD22 . 52595 1 459 . 1 . 1 44 44 LEU HD23 H 1 0.801 0.02 . 2 . . . . . 158 L HD23 . 52595 1 460 . 1 . 1 44 44 LEU C C 13 179.765 0.2 . 1 . . . . . 158 L C . 52595 1 461 . 1 . 1 44 44 LEU CA C 13 57.930 0.2 . 1 . . . . . 158 L CA . 52595 1 462 . 1 . 1 44 44 LEU CB C 13 41.673 0.2 . 1 . . . . . 158 L CB . 52595 1 463 . 1 . 1 44 44 LEU CG C 13 26.630 0.2 . 1 . . . . . 158 L CG . 52595 1 464 . 1 . 1 44 44 LEU CD1 C 13 22.388 0.2 . 1 . . . . . 158 L CD1 . 52595 1 465 . 1 . 1 44 44 LEU CD2 C 13 27.914 0.2 . 1 . . . . . 158 L CD2 . 52595 1 466 . 1 . 1 44 44 LEU N N 15 118.038 0.2 . 1 . . . . . 158 L N . 52595 1 467 . 1 . 1 45 45 LEU H H 1 7.775 0.02 . 1 . . . . . 159 L H . 52595 1 468 . 1 . 1 45 45 LEU HA H 1 3.950 0.02 . 1 . . . . . 159 L HA . 52595 1 469 . 1 . 1 45 45 LEU HB2 H 1 1.847 0.02 . 2 . . . . . 159 L HB2 . 52595 1 470 . 1 . 1 45 45 LEU HB3 H 1 1.231 0.02 . 2 . . . . . 159 L HB3 . 52595 1 471 . 1 . 1 45 45 LEU HG H 1 1.511 0.02 . 1 . . . . . 159 L HG . 52595 1 472 . 1 . 1 45 45 LEU HD11 H 1 0.635 0.02 . 2 . . . . . 159 L HD11 . 52595 1 473 . 1 . 1 45 45 LEU HD12 H 1 0.635 0.02 . 2 . . . . . 159 L HD12 . 52595 1 474 . 1 . 1 45 45 LEU HD13 H 1 0.635 0.02 . 2 . . . . . 159 L HD13 . 52595 1 475 . 1 . 1 45 45 LEU HD21 H 1 0.725 0.02 . 2 . . . . . 159 L HD21 . 52595 1 476 . 1 . 1 45 45 LEU HD22 H 1 0.725 0.02 . 2 . . . . . 159 L HD22 . 52595 1 477 . 1 . 1 45 45 LEU HD23 H 1 0.725 0.02 . 2 . . . . . 159 L HD23 . 52595 1 478 . 1 . 1 45 45 LEU C C 13 178.962 0.2 . 1 . . . . . 159 L C . 52595 1 479 . 1 . 1 45 45 LEU CA C 13 57.902 0.2 . 1 . . . . . 159 L CA . 52595 1 480 . 1 . 1 45 45 LEU CB C 13 41.545 0.2 . 1 . . . . . 159 L CB . 52595 1 481 . 1 . 1 45 45 LEU CG C 13 26.013 0.2 . 1 . . . . . 159 L CG . 52595 1 482 . 1 . 1 45 45 LEU CD1 C 13 25.991 0.2 . 1 . . . . . 159 L CD1 . 52595 1 483 . 1 . 1 45 45 LEU CD2 C 13 22.091 0.2 . 1 . . . . . 159 L CD2 . 52595 1 484 . 1 . 1 45 45 LEU N N 15 117.121 0.2 . 1 . . . . . 159 L N . 52595 1 485 . 1 . 1 46 46 ALA H H 1 8.608 0.02 . 1 . . . . . 160 A H . 52595 1 486 . 1 . 1 46 46 ALA HA H 1 3.751 0.02 . 1 . . . . . 160 A HA . 52595 1 487 . 1 . 1 46 46 ALA HB1 H 1 1.151 0.02 . 9 . . . . . 160 A HB1 . 52595 1 488 . 1 . 1 46 46 ALA HB2 H 1 1.151 0.02 . 1 . . . . . 160 A HB2 . 52595 1 489 . 1 . 1 46 46 ALA HB3 H 1 1.151 0.02 . 1 . . . . . 160 A HB3 . 52595 1 490 . 1 . 1 46 46 ALA C C 13 180.119 0.2 . 1 . . . . . 160 A C . 52595 1 491 . 1 . 1 46 46 ALA CA C 13 55.046 0.2 . 1 . . . . . 160 A CA . 52595 1 492 . 1 . 1 46 46 ALA CB C 13 18.784 0.2 . 1 . . . . . 160 A CB . 52595 1 493 . 1 . 1 46 46 ALA N N 15 120.882 0.2 . 1 . . . . . 160 A N . 52595 1 494 . 1 . 1 47 47 GLU H H 1 8.814 0.02 . 1 . . . . . 161 E H . 52595 1 495 . 1 . 1 47 47 GLU HA H 1 3.921 0.02 . 1 . . . . . 161 E HA . 52595 1 496 . 1 . 1 47 47 GLU HB2 H 1 1.768 0.02 . 2 . . . . . 161 E HB2 . 52595 1 497 . 1 . 1 47 47 GLU HB3 H 1 1.768 0.02 . 2 . . . . . 161 E HB3 . 52595 1 498 . 1 . 1 47 47 GLU HG2 H 1 2.018 0.02 . 2 . . . . . 161 E HG2 . 52595 1 499 . 1 . 1 47 47 GLU HG3 H 1 2.018 0.02 . 2 . . . . . 161 E HG3 . 52595 1 500 . 1 . 1 47 47 GLU C C 13 176.812 0.2 . 1 . . . . . 161 E C . 52595 1 501 . 1 . 1 47 47 GLU CA C 13 58.304 0.2 . 1 . . . . . 161 E CA . 52595 1 502 . 1 . 1 47 47 GLU CB C 13 29.261 0.2 . 1 . . . . . 161 E CB . 52595 1 503 . 1 . 1 47 47 GLU CG C 13 31.527 0.2 . 1 . . . . . 161 E CG . 52595 1 504 . 1 . 1 47 47 GLU N N 15 119.346 0.2 . 1 . . . . . 161 E N . 52595 1 505 . 1 . 1 48 48 ASN H H 1 7.049 0.02 . 1 . . . . . 162 N H . 52595 1 506 . 1 . 1 48 48 ASN HA H 1 4.792 0.02 . 1 . . . . . 162 N HA . 52595 1 507 . 1 . 1 48 48 ASN HB2 H 1 3.071 0.02 . 2 . . . . . 162 N HB2 . 52595 1 508 . 1 . 1 48 48 ASN HB3 H 1 2.648 0.02 . 2 . . . . . 162 N HB3 . 52595 1 509 . 1 . 1 48 48 ASN C C 13 172.934 0.2 . 1 . . . . . 162 N C . 52595 1 510 . 1 . 1 48 48 ASN CA C 13 52.539 0.2 . 1 . . . . . 162 N CA . 52595 1 511 . 1 . 1 48 48 ASN CB C 13 40.323 0.2 . 1 . . . . . 162 N CB . 52595 1 512 . 1 . 1 48 48 ASN N N 15 116.918 0.2 . 1 . . . . . 162 N N . 52595 1 513 . 1 . 1 49 49 LYS H H 1 6.678 0.02 . 1 . . . . . 163 K H . 52595 1 514 . 1 . 1 49 49 LYS HA H 1 4.280 0.02 . 1 . . . . . 163 K HA . 52595 1 515 . 1 . 1 49 49 LYS HB2 H 1 1.736 0.02 . 2 . . . . . 163 K HB2 . 52595 1 516 . 1 . 1 49 49 LYS HB3 H 1 1.720 0.02 . 2 . . . . . 163 K HB3 . 52595 1 517 . 1 . 1 49 49 LYS HG2 H 1 1.444 0.02 . 2 . . . . . 163 K HG2 . 52595 1 518 . 1 . 1 49 49 LYS HG3 H 1 1.444 0.02 . 2 . . . . . 163 K HG3 . 52595 1 519 . 1 . 1 49 49 LYS HD2 H 1 1.586 0.02 . 2 . . . . . 163 K HD2 . 52595 1 520 . 1 . 1 49 49 LYS HD3 H 1 1.586 0.02 . 2 . . . . . 163 K HD3 . 52595 1 521 . 1 . 1 49 49 LYS HE2 H 1 2.997 0.02 . 2 . . . . . 163 K HE2 . 52595 1 522 . 1 . 1 49 49 LYS HE3 H 1 2.997 0.02 . 2 . . . . . 163 K HE3 . 52595 1 523 . 1 . 1 49 49 LYS C C 13 177.763 0.2 . 1 . . . . . 163 K C . 52595 1 524 . 1 . 1 49 49 LYS CA C 13 58.580 0.2 . 1 . . . . . 163 K CA . 52595 1 525 . 1 . 1 49 49 LYS CB C 13 32.893 0.2 . 1 . . . . . 163 K CB . 52595 1 526 . 1 . 1 49 49 LYS CG C 13 24.939 0.2 . 1 . . . . . 163 K CG . 52595 1 527 . 1 . 1 49 49 LYS CD C 13 29.341 0.2 . 1 . . . . . 163 K CD . 52595 1 528 . 1 . 1 49 49 LYS CE C 13 41.999 0.2 . 1 . . . . . 163 K CE . 52595 1 529 . 1 . 1 49 49 LYS N N 15 120.213 0.2 . 1 . . . . . 163 K N . 52595 1 530 . 1 . 1 50 50 ASN H H 1 9.830 0.02 . 1 . . . . . 164 N H . 52595 1 531 . 1 . 1 50 50 ASN HA H 1 4.131 0.02 . 1 . . . . . 164 N HA . 52595 1 532 . 1 . 1 50 50 ASN HB2 H 1 3.092 0.02 . 2 . . . . . 164 N HB2 . 52595 1 533 . 1 . 1 50 50 ASN HB3 H 1 2.968 0.02 . 2 . . . . . 164 N HB3 . 52595 1 534 . 1 . 1 50 50 ASN C C 13 173.477 0.2 . 1 . . . . . 164 N C . 52595 1 535 . 1 . 1 50 50 ASN CA C 13 55.649 0.2 . 1 . . . . . 164 N CA . 52595 1 536 . 1 . 1 50 50 ASN CB C 13 38.821 0.2 . 1 . . . . . 164 N CB . 52595 1 537 . 1 . 1 50 50 ASN N N 15 119.366 0.2 . 1 . . . . . 164 N N . 52595 1 538 . 1 . 1 51 51 HIS H H 1 8.650 0.02 . 1 . . . . . 165 H H . 52595 1 539 . 1 . 1 51 51 HIS HA H 1 4.797 0.02 . 1 . . . . . 165 H HA . 52595 1 540 . 1 . 1 51 51 HIS HB2 H 1 3.162 0.02 . 2 . . . . . 165 H HB2 . 52595 1 541 . 1 . 1 51 51 HIS HB3 H 1 3.164 0.02 . 2 . . . . . 165 H HB3 . 52595 1 542 . 1 . 1 51 51 HIS HD2 H 1 6.842 0.02 . 1 . . . . . 165 H HD2 . 52595 1 543 . 1 . 1 51 51 HIS C C 13 172.695 0.2 . 1 . . . . . 165 H C . 52595 1 544 . 1 . 1 51 51 HIS CA C 13 54.439 0.2 . 1 . . . . . 165 H CA . 52595 1 545 . 1 . 1 51 51 HIS CB C 13 30.323 0.2 . 1 . . . . . 165 H CB . 52595 1 546 . 1 . 1 51 51 HIS CD2 C 13 120.228 0.2 . 1 . . . . . 165 H CD2 . 52595 1 547 . 1 . 1 51 51 HIS N N 15 119.377 0.2 . 1 . . . . . 165 H N . 52595 1 548 . 1 . 1 52 52 VAL H H 1 8.382 0.02 . 1 . . . . . 166 V H . 52595 1 549 . 1 . 1 52 52 VAL HA H 1 3.603 0.02 . 1 . . . . . 166 V HA . 52595 1 550 . 1 . 1 52 52 VAL HB H 1 1.898 0.02 . 1 . . . . . 166 V HB . 52595 1 551 . 1 . 1 52 52 VAL HG11 H 1 0.631 0.02 . 2 . . . . . 166 V HG11 . 52595 1 552 . 1 . 1 52 52 VAL HG12 H 1 0.631 0.02 . 2 . . . . . 166 V HG12 . 52595 1 553 . 1 . 1 52 52 VAL HG13 H 1 0.631 0.02 . 2 . . . . . 166 V HG13 . 52595 1 554 . 1 . 1 52 52 VAL HG21 H 1 0.860 0.02 . 2 . . . . . 166 V HG21 . 52595 1 555 . 1 . 1 52 52 VAL HG22 H 1 0.860 0.02 . 2 . . . . . 166 V HG22 . 52595 1 556 . 1 . 1 52 52 VAL HG23 H 1 0.860 0.02 . 2 . . . . . 166 V HG23 . 52595 1 557 . 1 . 1 52 52 VAL C C 13 175.699 0.2 . 1 . . . . . 166 V C . 52595 1 558 . 1 . 1 52 52 VAL CA C 13 63.477 0.2 . 1 . . . . . 166 V CA . 52595 1 559 . 1 . 1 52 52 VAL CB C 13 31.324 0.2 . 1 . . . . . 166 V CB . 52595 1 560 . 1 . 1 52 52 VAL CG1 C 13 21.214 0.2 . 1 . . . . . 166 V CG1 . 52595 1 561 . 1 . 1 52 52 VAL CG2 C 13 21.570 0.2 . 1 . . . . . 166 V CG2 . 52595 1 562 . 1 . 1 52 52 VAL N N 15 124.330 0.2 . 1 . . . . . 166 V N . 52595 1 563 . 1 . 1 53 53 MET H H 1 8.858 0.02 . 1 . . . . . 167 M H . 52595 1 564 . 1 . 1 53 53 MET HA H 1 4.930 0.02 . 1 . . . . . 167 M HA . 52595 1 565 . 1 . 1 53 53 MET HB2 H 1 1.703 0.02 . 2 . . . . . 167 M HB2 . 52595 1 566 . 1 . 1 53 53 MET HB3 H 1 2.115 0.02 . 2 . . . . . 167 M HB3 . 52595 1 567 . 1 . 1 53 53 MET HG2 H 1 2.745 0.02 . 2 . . . . . 167 M HG2 . 52595 1 568 . 1 . 1 53 53 MET HG3 H 1 2.453 0.02 . 2 . . . . . 167 M HG3 . 52595 1 569 . 1 . 1 53 53 MET HE1 H 1 1.847 0.02 . 9 . . . . . 167 M HE1 . 52595 1 570 . 1 . 1 53 53 MET HE2 H 1 1.847 0.02 . 1 . . . . . 167 M HE2 . 52595 1 571 . 1 . 1 53 53 MET HE3 H 1 1.847 0.02 . 1 . . . . . 167 M HE3 . 52595 1 572 . 1 . 1 53 53 MET C C 13 175.543 0.2 . 1 . . . . . 167 M C . 52595 1 573 . 1 . 1 53 53 MET CA C 13 52.709 0.2 . 1 . . . . . 167 M CA . 52595 1 574 . 1 . 1 53 53 MET CB C 13 32.196 0.2 . 1 . . . . . 167 M CB . 52595 1 575 . 1 . 1 53 53 MET CG C 13 32.085 0.2 . 1 . . . . . 167 M CG . 52595 1 576 . 1 . 1 53 53 MET CE C 13 16.708 0.2 . 1 . . . . . 167 M CE . 52595 1 577 . 1 . 1 53 53 MET N N 15 127.693 0.2 . 1 . . . . . 167 M N . 52595 1 578 . 1 . 1 54 54 GLN H H 1 8.809 0.02 . 1 . . . . . 168 Q H . 52595 1 579 . 1 . 1 54 54 GLN HA H 1 4.554 0.02 . 1 . . . . . 168 Q HA . 52595 1 580 . 1 . 1 54 54 GLN HB2 H 1 2.068 0.02 . 2 . . . . . 168 Q HB2 . 52595 1 581 . 1 . 1 54 54 GLN HB3 H 1 2.533 0.02 . 2 . . . . . 168 Q HB3 . 52595 1 582 . 1 . 1 54 54 GLN HG2 H 1 2.578 0.02 . 2 . . . . . 168 Q HG2 . 52595 1 583 . 1 . 1 54 54 GLN HG3 H 1 2.591 0.02 . 2 . . . . . 168 Q HG3 . 52595 1 584 . 1 . 1 54 54 GLN C C 13 178.604 0.2 . 1 . . . . . 168 Q C . 52595 1 585 . 1 . 1 54 54 GLN CA C 13 55.718 0.2 . 1 . . . . . 168 Q CA . 52595 1 586 . 1 . 1 54 54 GLN CB C 13 29.343 0.2 . 1 . . . . . 168 Q CB . 52595 1 587 . 1 . 1 54 54 GLN CG C 13 34.351 0.2 . 1 . . . . . 168 Q CG . 52595 1 588 . 1 . 1 54 54 GLN N N 15 122.832 0.2 . 1 . . . . . 168 Q N . 52595 1 589 . 1 . 1 55 55 ARG H H 1 8.954 0.02 . 1 . . . . . 169 R H . 52595 1 590 . 1 . 1 55 55 ARG HA H 1 3.939 0.02 . 1 . . . . . 169 R HA . 52595 1 591 . 1 . 1 55 55 ARG HB2 H 1 1.990 0.02 . 2 . . . . . 169 R HB2 . 52595 1 592 . 1 . 1 55 55 ARG HB3 H 1 1.878 0.02 . 2 . . . . . 169 R HB3 . 52595 1 593 . 1 . 1 55 55 ARG HG2 H 1 1.586 0.02 . 2 . . . . . 169 R HG2 . 52595 1 594 . 1 . 1 55 55 ARG HG3 H 1 1.586 0.02 . 2 . . . . . 169 R HG3 . 52595 1 595 . 1 . 1 55 55 ARG HD2 H 1 3.349 0.02 . 2 . . . . . 169 R HD2 . 52595 1 596 . 1 . 1 55 55 ARG HD3 H 1 3.349 0.02 . 2 . . . . . 169 R HD3 . 52595 1 597 . 1 . 1 55 55 ARG C C 13 177.432 0.2 . 1 . . . . . 169 R C . 52595 1 598 . 1 . 1 55 55 ARG CA C 13 61.915 0.2 . 1 . . . . . 169 R CA . 52595 1 599 . 1 . 1 55 55 ARG CB C 13 30.633 0.2 . 1 . . . . . 169 R CB . 52595 1 600 . 1 . 1 55 55 ARG CG C 13 29.416 0.2 . 1 . . . . . 169 R CG . 52595 1 601 . 1 . 1 55 55 ARG CD C 13 43.290 0.2 . 1 . . . . . 169 R CD . 52595 1 602 . 1 . 1 55 55 ARG N N 15 122.879 0.2 . 1 . . . . . 169 R N . 52595 1 603 . 1 . 1 56 56 GLU H H 1 9.825 0.02 . 1 . . . . . 170 E H . 52595 1 604 . 1 . 1 56 56 GLU HA H 1 3.948 0.02 . 1 . . . . . 170 E HA . 52595 1 605 . 1 . 1 56 56 GLU HB2 H 1 2.050 0.02 . 2 . . . . . 170 E HB2 . 52595 1 606 . 1 . 1 56 56 GLU HB3 H 1 2.128 0.02 . 2 . . . . . 170 E HB3 . 52595 1 607 . 1 . 1 56 56 GLU HG2 H 1 2.511 0.02 . 2 . . . . . 170 E HG2 . 52595 1 608 . 1 . 1 56 56 GLU HG3 H 1 2.317 0.02 . 2 . . . . . 170 E HG3 . 52595 1 609 . 1 . 1 56 56 GLU C C 13 178.210 0.2 . 1 . . . . . 170 E C . 52595 1 610 . 1 . 1 56 56 GLU CA C 13 60.829 0.2 . 1 . . . . . 170 E CA . 52595 1 611 . 1 . 1 56 56 GLU CB C 13 29.062 0.2 . 1 . . . . . 170 E CB . 52595 1 612 . 1 . 1 56 56 GLU CG C 13 37.321 0.2 . 1 . . . . . 170 E CG . 52595 1 613 . 1 . 1 56 56 GLU N N 15 117.377 0.2 . 1 . . . . . 170 E N . 52595 1 614 . 1 . 1 57 57 GLN H H 1 6.968 0.02 . 1 . . . . . 171 Q H . 52595 1 615 . 1 . 1 57 57 GLN HA H 1 4.293 0.02 . 1 . . . . . 171 Q HA . 52595 1 616 . 1 . 1 57 57 GLN HB2 H 1 2.419 0.02 . 2 . . . . . 171 Q HB2 . 52595 1 617 . 1 . 1 57 57 GLN HB3 H 1 2.216 0.02 . 2 . . . . . 171 Q HB3 . 52595 1 618 . 1 . 1 57 57 GLN HG2 H 1 2.568 0.02 . 2 . . . . . 171 Q HG2 . 52595 1 619 . 1 . 1 57 57 GLN HG3 H 1 2.510 0.02 . 2 . . . . . 171 Q HG3 . 52595 1 620 . 1 . 1 57 57 GLN C C 13 179.028 0.2 . 1 . . . . . 171 Q C . 52595 1 621 . 1 . 1 57 57 GLN CA C 13 58.330 0.2 . 1 . . . . . 171 Q CA . 52595 1 622 . 1 . 1 57 57 GLN CB C 13 29.016 0.2 . 1 . . . . . 171 Q CB . 52595 1 623 . 1 . 1 57 57 GLN CG C 13 34.351 0.2 . 1 . . . . . 171 Q CG . 52595 1 624 . 1 . 1 57 57 GLN N N 15 117.122 0.2 . 1 . . . . . 171 Q N . 52595 1 625 . 1 . 1 58 58 ILE H H 1 8.074 0.02 . 1 . . . . . 172 I H . 52595 1 626 . 1 . 1 58 58 ILE HA H 1 3.535 0.02 . 1 . . . . . 172 I HA . 52595 1 627 . 1 . 1 58 58 ILE HB H 1 2.098 0.02 . 1 . . . . . 172 I HB . 52595 1 628 . 1 . 1 58 58 ILE HG12 H 1 0.800 0.02 . 2 . . . . . 172 I HG12 . 52595 1 629 . 1 . 1 58 58 ILE HG13 H 1 1.893 0.02 . 2 . . . . . 172 I HG13 . 52595 1 630 . 1 . 1 58 58 ILE HG21 H 1 1.042 0.02 . 9 . . . . . 172 I HG21 . 52595 1 631 . 1 . 1 58 58 ILE HG22 H 1 1.042 0.02 . 1 . . . . . 172 I HG22 . 52595 1 632 . 1 . 1 58 58 ILE HG23 H 1 1.042 0.02 . 1 . . . . . 172 I HG23 . 52595 1 633 . 1 . 1 58 58 ILE HD11 H 1 0.964 0.02 . 9 . . . . . 172 I HD11 . 52595 1 634 . 1 . 1 58 58 ILE HD12 H 1 0.964 0.02 . 1 . . . . . 172 I HD12 . 52595 1 635 . 1 . 1 58 58 ILE HD13 H 1 0.964 0.02 . 1 . . . . . 172 I HD13 . 52595 1 636 . 1 . 1 58 58 ILE C C 13 178.949 0.2 . 1 . . . . . 172 I C . 52595 1 637 . 1 . 1 58 58 ILE CA C 13 65.936 0.2 . 1 . . . . . 172 I CA . 52595 1 638 . 1 . 1 58 58 ILE CB C 13 38.006 0.2 . 1 . . . . . 172 I CB . 52595 1 639 . 1 . 1 58 58 ILE CG1 C 13 28.930 0.2 . 1 . . . . . 172 I CG1 . 52595 1 640 . 1 . 1 58 58 ILE CG2 C 13 19.584 0.2 . 1 . . . . . 172 I CG2 . 52595 1 641 . 1 . 1 58 58 ILE CD1 C 13 14.669 0.2 . 1 . . . . . 172 I CD1 . 52595 1 642 . 1 . 1 58 58 ILE N N 15 119.882 0.2 . 1 . . . . . 172 I N . 52595 1 643 . 1 . 1 59 59 LEU H H 1 8.471 0.02 . 1 . . . . . 173 L H . 52595 1 644 . 1 . 1 59 59 LEU HA H 1 4.384 0.02 . 1 . . . . . 173 L HA . 52595 1 645 . 1 . 1 59 59 LEU HB2 H 1 1.912 0.02 . 2 . . . . . 173 L HB2 . 52595 1 646 . 1 . 1 59 59 LEU HB3 H 1 1.594 0.02 . 2 . . . . . 173 L HB3 . 52595 1 647 . 1 . 1 59 59 LEU HG H 1 1.057 0.02 . 1 . . . . . 173 L HG . 52595 1 648 . 1 . 1 59 59 LEU HD11 H 1 0.604 0.02 . 2 . . . . . 173 L HD11 . 52595 1 649 . 1 . 1 59 59 LEU HD12 H 1 0.604 0.02 . 2 . . . . . 173 L HD12 . 52595 1 650 . 1 . 1 59 59 LEU HD13 H 1 0.604 0.02 . 2 . . . . . 173 L HD13 . 52595 1 651 . 1 . 1 59 59 LEU HD21 H 1 0.750 0.02 . 2 . . . . . 173 L HD21 . 52595 1 652 . 1 . 1 59 59 LEU HD22 H 1 0.750 0.02 . 2 . . . . . 173 L HD22 . 52595 1 653 . 1 . 1 59 59 LEU HD23 H 1 0.750 0.02 . 2 . . . . . 173 L HD23 . 52595 1 654 . 1 . 1 59 59 LEU C C 13 179.123 0.2 . 1 . . . . . 173 L C . 52595 1 655 . 1 . 1 59 59 LEU CA C 13 58.589 0.2 . 1 . . . . . 173 L CA . 52595 1 656 . 1 . 1 59 59 LEU CB C 13 43.025 0.2 . 1 . . . . . 173 L CB . 52595 1 657 . 1 . 1 59 59 LEU CG C 13 22.298 0.2 . 1 . . . . . 173 L CG . 52595 1 658 . 1 . 1 59 59 LEU CD1 C 13 25.064 0.2 . 1 . . . . . 173 L CD1 . 52595 1 659 . 1 . 1 59 59 LEU CD2 C 13 25.458 0.2 . 1 . . . . . 173 L CD2 . 52595 1 660 . 1 . 1 59 59 LEU N N 15 120.032 0.2 . 1 . . . . . 173 L N . 52595 1 661 . 1 . 1 60 60 ASN H H 1 7.852 0.02 . 1 . . . . . 174 N H . 52595 1 662 . 1 . 1 60 60 ASN HA H 1 4.212 0.02 . 1 . . . . . 174 N HA . 52595 1 663 . 1 . 1 60 60 ASN HB2 H 1 2.714 0.02 . 2 . . . . . 174 N HB2 . 52595 1 664 . 1 . 1 60 60 ASN HB3 H 1 2.301 0.02 . 2 . . . . . 174 N HB3 . 52595 1 665 . 1 . 1 60 60 ASN C C 13 176.892 0.2 . 1 . . . . . 174 N C . 52595 1 666 . 1 . 1 60 60 ASN CA C 13 55.640 0.2 . 1 . . . . . 174 N CA . 52595 1 667 . 1 . 1 60 60 ASN CB C 13 38.457 0.2 . 1 . . . . . 174 N CB . 52595 1 668 . 1 . 1 60 60 ASN N N 15 115.423 0.2 . 1 . . . . . 174 N N . 52595 1 669 . 1 . 1 61 61 HIS H H 1 7.943 0.02 . 1 . . . . . 175 H H . 52595 1 670 . 1 . 1 61 61 HIS HA H 1 4.246 0.02 . 1 . . . . . 175 H HA . 52595 1 671 . 1 . 1 61 61 HIS HB2 H 1 3.139 0.02 . 2 . . . . . 175 H HB2 . 52595 1 672 . 1 . 1 61 61 HIS HB3 H 1 3.139 0.02 . 2 . . . . . 175 H HB3 . 52595 1 673 . 1 . 1 61 61 HIS C C 13 176.696 0.2 . 1 . . . . . 175 H C . 52595 1 674 . 1 . 1 61 61 HIS CA C 13 59.922 0.2 . 1 . . . . . 175 H CA . 52595 1 675 . 1 . 1 61 61 HIS CB C 13 32.066 0.2 . 1 . . . . . 175 H CB . 52595 1 676 . 1 . 1 61 61 HIS N N 15 116.246 0.2 . 1 . . . . . 175 H N . 52595 1 677 . 1 . 1 62 62 VAL H H 1 8.385 0.02 . 1 . . . . . 176 V H . 52595 1 678 . 1 . 1 62 62 VAL HA H 1 3.646 0.02 . 1 . . . . . 176 V HA . 52595 1 679 . 1 . 1 62 62 VAL HB H 1 1.902 0.02 . 1 . . . . . 176 V HB . 52595 1 680 . 1 . 1 62 62 VAL HG11 H 1 -0.328 0.02 . 2 . . . . . 176 V HG11 . 52595 1 681 . 1 . 1 62 62 VAL HG12 H 1 -0.328 0.02 . 2 . . . . . 176 V HG12 . 52595 1 682 . 1 . 1 62 62 VAL HG13 H 1 -0.328 0.02 . 2 . . . . . 176 V HG13 . 52595 1 683 . 1 . 1 62 62 VAL HG21 H 1 0.816 0.02 . 2 . . . . . 176 V HG21 . 52595 1 684 . 1 . 1 62 62 VAL HG22 H 1 0.816 0.02 . 2 . . . . . 176 V HG22 . 52595 1 685 . 1 . 1 62 62 VAL HG23 H 1 0.816 0.02 . 2 . . . . . 176 V HG23 . 52595 1 686 . 1 . 1 62 62 VAL C C 13 176.348 0.2 . 1 . . . . . 176 V C . 52595 1 687 . 1 . 1 62 62 VAL CA C 13 65.197 0.2 . 1 . . . . . 176 V CA . 52595 1 688 . 1 . 1 62 62 VAL CB C 13 31.850 0.2 . 1 . . . . . 176 V CB . 52595 1 689 . 1 . 1 62 62 VAL CG1 C 13 20.660 0.2 . 1 . . . . . 176 V CG1 . 52595 1 690 . 1 . 1 62 62 VAL CG2 C 13 23.594 0.2 . 1 . . . . . 176 V CG2 . 52595 1 691 . 1 . 1 62 62 VAL N N 15 117.091 0.2 . 1 . . . . . 176 V N . 52595 1 692 . 1 . 1 63 63 TRP H H 1 8.292 0.02 . 1 . . . . . 177 W H . 52595 1 693 . 1 . 1 63 63 TRP HA H 1 4.480 0.02 . 1 . . . . . 177 W HA . 52595 1 694 . 1 . 1 63 63 TRP HB2 H 1 3.239 0.02 . 2 . . . . . 177 W HB2 . 52595 1 695 . 1 . 1 63 63 TRP HB3 H 1 3.199 0.02 . 2 . . . . . 177 W HB3 . 52595 1 696 . 1 . 1 63 63 TRP HD1 H 1 7.260 0.02 . 1 . . . . . 177 W HD1 . 52595 1 697 . 1 . 1 63 63 TRP HE1 H 1 9.945 0.02 . 1 . . . . . 177 W HE1 . 52595 1 698 . 1 . 1 63 63 TRP HE3 H 1 7.867 0.02 . 1 . . . . . 177 W HE3 . 52595 1 699 . 1 . 1 63 63 TRP HZ2 H 1 6.309 0.02 . 1 . . . . . 177 W HZ2 . 52595 1 700 . 1 . 1 63 63 TRP HZ3 H 1 6.632 0.02 . 1 . . . . . 177 W HZ3 . 52595 1 701 . 1 . 1 63 63 TRP HH2 H 1 6.580 0.02 . 1 . . . . . 177 W HH2 . 52595 1 702 . 1 . 1 63 63 TRP C C 13 177.034 0.2 . 1 . . . . . 177 W C . 52595 1 703 . 1 . 1 63 63 TRP CA C 13 61.904 0.2 . 1 . . . . . 177 W CA . 52595 1 704 . 1 . 1 63 63 TRP CB C 13 30.222 0.2 . 1 . . . . . 177 W CB . 52595 1 705 . 1 . 1 63 63 TRP CD1 C 13 126.957 0.2 . 1 . . . . . 177 W CD1 . 52595 1 706 . 1 . 1 63 63 TRP CE3 C 13 121.714 0.2 . 1 . . . . . 177 W CE3 . 52595 1 707 . 1 . 1 63 63 TRP CZ2 C 13 115.418 0.2 . 1 . . . . . 177 W CZ2 . 52595 1 708 . 1 . 1 63 63 TRP CZ3 C 13 119.805 0.2 . 1 . . . . . 177 W CZ3 . 52595 1 709 . 1 . 1 63 63 TRP CH2 C 13 122.185 0.2 . 1 . . . . . 177 W CH2 . 52595 1 710 . 1 . 1 63 63 TRP N N 15 119.066 0.2 . 1 . . . . . 177 W N . 52595 1 711 . 1 . 1 63 63 TRP NE1 N 15 128.861 0.2 . 1 . . . . . 177 W NE1 . 52595 1 712 . 1 . 1 64 64 GLY H H 1 7.373 0.02 . 1 . . . . . 178 G H . 52595 1 713 . 1 . 1 64 64 GLY HA2 H 1 4.289 0.02 . 2 . . . . . 178 G HA2 . 52595 1 714 . 1 . 1 64 64 GLY HA3 H 1 3.939 0.02 . 2 . . . . . 178 G HA3 . 52595 1 715 . 1 . 1 64 64 GLY C C 13 174.080 0.2 . 1 . . . . . 178 G C . 52595 1 716 . 1 . 1 64 64 GLY CA C 13 45.221 0.2 . 1 . . . . . 178 G CA . 52595 1 717 . 1 . 1 64 64 GLY N N 15 108.506 0.2 . 1 . . . . . 178 G N . 52595 1 718 . 1 . 1 65 65 TYR H H 1 8.145 0.02 . 1 . . . . . 179 Y H . 52595 1 719 . 1 . 1 65 65 TYR HA H 1 4.482 0.02 . 1 . . . . . 179 Y HA . 52595 1 720 . 1 . 1 65 65 TYR HB2 H 1 3.039 0.02 . 2 . . . . . 179 Y HB2 . 52595 1 721 . 1 . 1 65 65 TYR HB3 H 1 2.896 0.02 . 2 . . . . . 179 Y HB3 . 52595 1 722 . 1 . 1 65 65 TYR HD1 H 1 7.126 0.02 . 3 . . . . . 179 Y HD1 . 52595 1 723 . 1 . 1 65 65 TYR HD2 H 1 7.126 0.02 . 3 . . . . . 179 Y HD2 . 52595 1 724 . 1 . 1 65 65 TYR HE1 H 1 6.809 0.02 . 3 . . . . . 179 Y HE1 . 52595 1 725 . 1 . 1 65 65 TYR HE2 H 1 6.809 0.02 . 3 . . . . . 179 Y HE2 . 52595 1 726 . 1 . 1 65 65 TYR C C 13 176.372 0.2 . 1 . . . . . 179 Y C . 52595 1 727 . 1 . 1 65 65 TYR CA C 13 58.444 0.2 . 1 . . . . . 179 Y CA . 52595 1 728 . 1 . 1 65 65 TYR CB C 13 38.470 0.2 . 1 . . . . . 179 Y CB . 52595 1 729 . 1 . 1 65 65 TYR CD1 C 13 133.124 0.2 . 3 . . . . . 179 Y CD1 . 52595 1 730 . 1 . 1 65 65 TYR CD2 C 13 133.124 0.2 . 3 . . . . . 179 Y CD2 . 52595 1 731 . 1 . 1 65 65 TYR CE1 C 13 118.270 0.2 . 3 . . . . . 179 Y CE1 . 52595 1 732 . 1 . 1 65 65 TYR CE2 C 13 118.270 0.2 . 3 . . . . . 179 Y CE2 . 52595 1 733 . 1 . 1 65 65 TYR N N 15 119.326 0.2 . 1 . . . . . 179 Y N . 52595 1 734 . 1 . 1 66 66 ASN H H 1 8.540 0.02 . 1 . . . . . 180 N H . 52595 1 735 . 1 . 1 66 66 ASN HA H 1 4.694 0.02 . 1 . . . . . 180 N HA . 52595 1 736 . 1 . 1 66 66 ASN HB2 H 1 2.904 0.02 . 2 . . . . . 180 N HB2 . 52595 1 737 . 1 . 1 66 66 ASN HB3 H 1 2.721 0.02 . 2 . . . . . 180 N HB3 . 52595 1 738 . 1 . 1 66 66 ASN C C 13 175.042 0.2 . 1 . . . . . 180 N C . 52595 1 739 . 1 . 1 66 66 ASN CA C 13 53.254 0.2 . 1 . . . . . 180 N CA . 52595 1 740 . 1 . 1 66 66 ASN CB C 13 38.476 0.2 . 1 . . . . . 180 N CB . 52595 1 741 . 1 . 1 66 66 ASN N N 15 119.530 0.2 . 1 . . . . . 180 N N . 52595 1 742 . 1 . 1 67 67 SER H H 1 8.030 0.02 . 1 . . . . . 181 S H . 52595 1 743 . 1 . 1 67 67 SER HA H 1 4.329 0.02 . 1 . . . . . 181 S HA . 52595 1 744 . 1 . 1 67 67 SER HB2 H 1 3.952 0.02 . 2 . . . . . 181 S HB2 . 52595 1 745 . 1 . 1 67 67 SER HB3 H 1 3.827 0.02 . 2 . . . . . 181 S HB3 . 52595 1 746 . 1 . 1 67 67 SER C C 13 174.906 0.2 . 1 . . . . . 181 S C . 52595 1 747 . 1 . 1 67 67 SER CA C 13 59.401 0.2 . 1 . . . . . 181 S CA . 52595 1 748 . 1 . 1 67 67 SER CB C 13 64.017 0.2 . 1 . . . . . 181 S CB . 52595 1 749 . 1 . 1 67 67 SER N N 15 115.137 0.2 . 1 . . . . . 181 S N . 52595 1 750 . 1 . 1 68 68 GLU H H 1 8.641 0.02 . 1 . . . . . 182 E H . 52595 1 751 . 1 . 1 68 68 GLU HA H 1 4.284 0.02 . 1 . . . . . 182 E HA . 52595 1 752 . 1 . 1 68 68 GLU HB2 H 1 2.194 0.02 . 2 . . . . . 182 E HB2 . 52595 1 753 . 1 . 1 68 68 GLU HB3 H 1 2.194 0.02 . 2 . . . . . 182 E HB3 . 52595 1 754 . 1 . 1 68 68 GLU HG2 H 1 2.287 0.02 . 2 . . . . . 182 E HG2 . 52595 1 755 . 1 . 1 68 68 GLU HG3 H 1 2.287 0.02 . 2 . . . . . 182 E HG3 . 52595 1 756 . 1 . 1 68 68 GLU C C 13 176.087 0.2 . 1 . . . . . 182 E C . 52595 1 757 . 1 . 1 68 68 GLU CA C 13 56.527 0.2 . 1 . . . . . 182 E CA . 52595 1 758 . 1 . 1 68 68 GLU CB C 13 29.336 0.2 . 1 . . . . . 182 E CB . 52595 1 759 . 1 . 1 68 68 GLU CG C 13 36.526 0.2 . 1 . . . . . 182 E CG . 52595 1 760 . 1 . 1 68 68 GLU N N 15 121.282 0.2 . 1 . . . . . 182 E N . 52595 1 761 . 1 . 1 69 69 VAL H H 1 7.510 0.02 . 1 . . . . . 183 V H . 52595 1 762 . 1 . 1 69 69 VAL HA H 1 4.074 0.02 . 1 . . . . . 183 V HA . 52595 1 763 . 1 . 1 69 69 VAL HB H 1 1.814 0.02 . 1 . . . . . 183 V HB . 52595 1 764 . 1 . 1 69 69 VAL HG11 H 1 0.601 0.02 . 2 . . . . . 183 V HG11 . 52595 1 765 . 1 . 1 69 69 VAL HG12 H 1 0.601 0.02 . 2 . . . . . 183 V HG12 . 52595 1 766 . 1 . 1 69 69 VAL HG13 H 1 0.601 0.02 . 2 . . . . . 183 V HG13 . 52595 1 767 . 1 . 1 69 69 VAL HG21 H 1 0.616 0.02 . 2 . . . . . 183 V HG21 . 52595 1 768 . 1 . 1 69 69 VAL HG22 H 1 0.616 0.02 . 2 . . . . . 183 V HG22 . 52595 1 769 . 1 . 1 69 69 VAL HG23 H 1 0.616 0.02 . 2 . . . . . 183 V HG23 . 52595 1 770 . 1 . 1 69 69 VAL C C 13 175.134 0.2 . 1 . . . . . 183 V C . 52595 1 771 . 1 . 1 69 69 VAL CA C 13 61.475 0.2 . 1 . . . . . 183 V CA . 52595 1 772 . 1 . 1 69 69 VAL CB C 13 33.059 0.2 . 1 . . . . . 183 V CB . 52595 1 773 . 1 . 1 69 69 VAL CG1 C 13 21.214 0.2 . 1 . . . . . 183 V CG1 . 52595 1 774 . 1 . 1 69 69 VAL CG2 C 13 20.111 0.2 . 1 . . . . . 183 V CG2 . 52595 1 775 . 1 . 1 69 69 VAL N N 15 118.411 0.2 . 1 . . . . . 183 V N . 52595 1 776 . 1 . 1 70 70 GLU H H 1 8.179 0.02 . 1 . . . . . 184 E H . 52595 1 777 . 1 . 1 70 70 GLU HA H 1 4.371 0.02 . 1 . . . . . 184 E HA . 52595 1 778 . 1 . 1 70 70 GLU HB2 H 1 2.144 0.02 . 2 . . . . . 184 E HB2 . 52595 1 779 . 1 . 1 70 70 GLU HB3 H 1 1.930 0.02 . 2 . . . . . 184 E HB3 . 52595 1 780 . 1 . 1 70 70 GLU HG2 H 1 2.229 0.02 . 2 . . . . . 184 E HG2 . 52595 1 781 . 1 . 1 70 70 GLU HG3 H 1 2.293 0.02 . 2 . . . . . 184 E HG3 . 52595 1 782 . 1 . 1 70 70 GLU C C 13 177.123 0.2 . 1 . . . . . 184 E C . 52595 1 783 . 1 . 1 70 70 GLU CA C 13 55.870 0.2 . 1 . . . . . 184 E CA . 52595 1 784 . 1 . 1 70 70 GLU CB C 13 30.589 0.2 . 1 . . . . . 184 E CB . 52595 1 785 . 1 . 1 70 70 GLU CG C 13 36.526 0.2 . 1 . . . . . 184 E CG . 52595 1 786 . 1 . 1 70 70 GLU N N 15 123.246 0.2 . 1 . . . . . 184 E N . 52595 1 787 . 1 . 1 71 71 THR H H 1 8.271 0.02 . 1 . . . . . 185 T H . 52595 1 788 . 1 . 1 71 71 THR HA H 1 3.808 0.02 . 1 . . . . . 185 T HA . 52595 1 789 . 1 . 1 71 71 THR HB H 1 4.079 0.02 . 1 . . . . . 185 T HB . 52595 1 790 . 1 . 1 71 71 THR HG21 H 1 1.224 0.02 . 9 . . . . . 185 T HG21 . 52595 1 791 . 1 . 1 71 71 THR HG22 H 1 1.224 0.02 . 1 . . . . . 185 T HG22 . 52595 1 792 . 1 . 1 71 71 THR HG23 H 1 1.224 0.02 . 1 . . . . . 185 T HG23 . 52595 1 793 . 1 . 1 71 71 THR C C 13 175.388 0.2 . 1 . . . . . 185 T C . 52595 1 794 . 1 . 1 71 71 THR CA C 13 65.091 0.2 . 1 . . . . . 185 T CA . 52595 1 795 . 1 . 1 71 71 THR CB C 13 68.716 0.2 . 9 . . . . . 185 T CB . 52595 1 796 . 1 . 1 71 71 THR CG2 C 13 22.582 0.2 . 1 . . . . . 185 T CG2 . 52595 1 797 . 1 . 1 71 71 THR N N 15 113.463 0.2 . 1 . . . . . 185 T N . 52595 1 798 . 1 . 1 72 72 ASN H H 1 8.027 0.02 . 1 . . . . . 186 N H . 52595 1 799 . 1 . 1 72 72 ASN HA H 1 4.585 0.02 . 1 . . . . . 186 N HA . 52595 1 800 . 1 . 1 72 72 ASN HB2 H 1 2.912 0.02 . 2 . . . . . 186 N HB2 . 52595 1 801 . 1 . 1 72 72 ASN HB3 H 1 2.802 0.02 . 2 . . . . . 186 N HB3 . 52595 1 802 . 1 . 1 72 72 ASN C C 13 176.540 0.2 . 1 . . . . . 186 N C . 52595 1 803 . 1 . 1 72 72 ASN CA C 13 54.766 0.2 . 1 . . . . . 186 N CA . 52595 1 804 . 1 . 1 72 72 ASN CB C 13 37.748 0.2 . 1 . . . . . 186 N CB . 52595 1 805 . 1 . 1 72 72 ASN N N 15 117.278 0.2 . 1 . . . . . 186 N N . 52595 1 806 . 1 . 1 73 73 VAL H H 1 7.694 0.02 . 1 . . . . . 187 V H . 52595 1 807 . 1 . 1 73 73 VAL HA H 1 3.735 0.02 . 1 . . . . . 187 V HA . 52595 1 808 . 1 . 1 73 73 VAL HB H 1 1.838 0.02 . 1 . . . . . 187 V HB . 52595 1 809 . 1 . 1 73 73 VAL HG11 H 1 0.266 0.02 . 2 . . . . . 187 V HG11 . 52595 1 810 . 1 . 1 73 73 VAL HG12 H 1 0.266 0.02 . 2 . . . . . 187 V HG12 . 52595 1 811 . 1 . 1 73 73 VAL HG13 H 1 0.266 0.02 . 2 . . . . . 187 V HG13 . 52595 1 812 . 1 . 1 73 73 VAL HG21 H 1 0.557 0.02 . 2 . . . . . 187 V HG21 . 52595 1 813 . 1 . 1 73 73 VAL HG22 H 1 0.557 0.02 . 2 . . . . . 187 V HG22 . 52595 1 814 . 1 . 1 73 73 VAL HG23 H 1 0.557 0.02 . 2 . . . . . 187 V HG23 . 52595 1 815 . 1 . 1 73 73 VAL C C 13 177.047 0.2 . 1 . . . . . 187 V C . 52595 1 816 . 1 . 1 73 73 VAL CA C 13 65.447 0.2 . 1 . . . . . 187 V CA . 52595 1 817 . 1 . 1 73 73 VAL CB C 13 31.328 0.2 . 1 . . . . . 187 V CB . 52595 1 818 . 1 . 1 73 73 VAL CG1 C 13 20.174 0.2 . 1 . . . . . 187 V CG1 . 52595 1 819 . 1 . 1 73 73 VAL CG2 C 13 21.255 0.2 . 1 . . . . . 187 V CG2 . 52595 1 820 . 1 . 1 73 73 VAL N N 15 119.581 0.2 . 1 . . . . . 187 V N . 52595 1 821 . 1 . 1 74 74 VAL H H 1 7.386 0.02 . 1 . . . . . 188 V H . 52595 1 822 . 1 . 1 74 74 VAL HA H 1 3.507 0.02 . 1 . . . . . 188 V HA . 52595 1 823 . 1 . 1 74 74 VAL HB H 1 2.126 0.02 . 1 . . . . . 188 V HB . 52595 1 824 . 1 . 1 74 74 VAL HG11 H 1 1.034 0.02 . 2 . . . . . 188 V HG11 . 52595 1 825 . 1 . 1 74 74 VAL HG12 H 1 1.034 0.02 . 2 . . . . . 188 V HG12 . 52595 1 826 . 1 . 1 74 74 VAL HG13 H 1 1.034 0.02 . 2 . . . . . 188 V HG13 . 52595 1 827 . 1 . 1 74 74 VAL HG21 H 1 1.096 0.02 . 2 . . . . . 188 V HG21 . 52595 1 828 . 1 . 1 74 74 VAL HG22 H 1 1.096 0.02 . 2 . . . . . 188 V HG22 . 52595 1 829 . 1 . 1 74 74 VAL HG23 H 1 1.096 0.02 . 2 . . . . . 188 V HG23 . 52595 1 830 . 1 . 1 74 74 VAL C C 13 176.780 0.2 . 1 . . . . . 188 V C . 52595 1 831 . 1 . 1 74 74 VAL CA C 13 66.847 0.2 . 1 . . . . . 188 V CA . 52595 1 832 . 1 . 1 74 74 VAL CB C 13 31.864 0.2 . 1 . . . . . 188 V CB . 52595 1 833 . 1 . 1 74 74 VAL CG1 C 13 22.244 0.2 . 1 . . . . . 188 V CG1 . 52595 1 834 . 1 . 1 74 74 VAL CG2 C 13 22.995 0.2 . 1 . . . . . 188 V CG2 . 52595 1 835 . 1 . 1 74 74 VAL N N 15 118.945 0.2 . 1 . . . . . 188 V N . 52595 1 836 . 1 . 1 75 75 ASP H H 1 7.157 0.02 . 1 . . . . . 189 D H . 52595 1 837 . 1 . 1 75 75 ASP HA H 1 4.131 0.02 . 1 . . . . . 189 D HA . 52595 1 838 . 1 . 1 75 75 ASP HB2 H 1 2.817 0.02 . 2 . . . . . 189 D HB2 . 52595 1 839 . 1 . 1 75 75 ASP HB3 H 1 2.742 0.02 . 2 . . . . . 189 D HB3 . 52595 1 840 . 1 . 1 75 75 ASP C C 13 178.852 0.2 . 1 . . . . . 189 D C . 52595 1 841 . 1 . 1 75 75 ASP CA C 13 57.352 0.2 . 1 . . . . . 189 D CA . 52595 1 842 . 1 . 1 75 75 ASP CB C 13 40.846 0.2 . 1 . . . . . 189 D CB . 52595 1 843 . 1 . 1 75 75 ASP N N 15 116.428 0.2 . 1 . . . . . 189 D N . 52595 1 844 . 1 . 1 76 76 VAL H H 1 7.569 0.02 . 1 . . . . . 190 V H . 52595 1 845 . 1 . 1 76 76 VAL HA H 1 3.286 0.02 . 1 . . . . . 190 V HA . 52595 1 846 . 1 . 1 76 76 VAL HB H 1 2.126 0.02 . 1 . . . . . 190 V HB . 52595 1 847 . 1 . 1 76 76 VAL HG11 H 1 0.379 0.02 . 2 . . . . . 190 V HG11 . 52595 1 848 . 1 . 1 76 76 VAL HG12 H 1 0.379 0.02 . 2 . . . . . 190 V HG12 . 52595 1 849 . 1 . 1 76 76 VAL HG13 H 1 0.379 0.02 . 2 . . . . . 190 V HG13 . 52595 1 850 . 1 . 1 76 76 VAL HG21 H 1 0.928 0.02 . 2 . . . . . 190 V HG21 . 52595 1 851 . 1 . 1 76 76 VAL HG22 H 1 0.928 0.02 . 2 . . . . . 190 V HG22 . 52595 1 852 . 1 . 1 76 76 VAL HG23 H 1 0.928 0.02 . 2 . . . . . 190 V HG23 . 52595 1 853 . 1 . 1 76 76 VAL C C 13 177.195 0.2 . 1 . . . . . 190 V C . 52595 1 854 . 1 . 1 76 76 VAL CA C 13 66.179 0.2 . 1 . . . . . 190 V CA . 52595 1 855 . 1 . 1 76 76 VAL CB C 13 31.864 0.2 . 1 . . . . . 190 V CB . 52595 1 856 . 1 . 1 76 76 VAL CG1 C 13 20.661 0.2 . 1 . . . . . 190 V CG1 . 52595 1 857 . 1 . 1 76 76 VAL CG2 C 13 22.182 0.2 . 1 . . . . . 190 V CG2 . 52595 1 858 . 1 . 1 76 76 VAL N N 15 120.319 0.2 . 1 . . . . . 190 V N . 52595 1 859 . 1 . 1 77 77 TYR H H 1 7.948 0.02 . 1 . . . . . 191 Y H . 52595 1 860 . 1 . 1 77 77 TYR HA H 1 3.965 0.02 . 1 . . . . . 191 Y HA . 52595 1 861 . 1 . 1 77 77 TYR HB2 H 1 3.191 0.02 . 2 . . . . . 191 Y HB2 . 52595 1 862 . 1 . 1 77 77 TYR HB3 H 1 2.897 0.02 . 2 . . . . . 191 Y HB3 . 52595 1 863 . 1 . 1 77 77 TYR HD1 H 1 7.447 0.02 . 3 . . . . . 191 Y HD1 . 52595 1 864 . 1 . 1 77 77 TYR HD2 H 1 7.447 0.02 . 3 . . . . . 191 Y HD2 . 52595 1 865 . 1 . 1 77 77 TYR HE1 H 1 7.057 0.02 . 3 . . . . . 191 Y HE1 . 52595 1 866 . 1 . 1 77 77 TYR HE2 H 1 7.057 0.02 . 3 . . . . . 191 Y HE2 . 52595 1 867 . 1 . 1 77 77 TYR C C 13 178.760 0.2 . 1 . . . . . 191 Y C . 52595 1 868 . 1 . 1 77 77 TYR CA C 13 62.598 0.2 . 1 . . . . . 191 Y CA . 52595 1 869 . 1 . 1 77 77 TYR CB C 13 39.019 0.2 . 1 . . . . . 191 Y CB . 52595 1 870 . 1 . 1 77 77 TYR CD1 C 13 133.170 0.2 . 3 . . . . . 191 Y CD1 . 52595 1 871 . 1 . 1 77 77 TYR CD2 C 13 133.170 0.2 . 3 . . . . . 191 Y CD2 . 52595 1 872 . 1 . 1 77 77 TYR CE1 C 13 118.471 0.2 . 3 . . . . . 191 Y CE1 . 52595 1 873 . 1 . 1 77 77 TYR CE2 C 13 118.471 0.2 . 3 . . . . . 191 Y CE2 . 52595 1 874 . 1 . 1 77 77 TYR N N 15 117.394 0.2 . 1 . . . . . 191 Y N . 52595 1 875 . 1 . 1 78 78 ILE H H 1 8.305 0.02 . 1 . . . . . 192 I H . 52595 1 876 . 1 . 1 78 78 ILE HA H 1 3.678 0.02 . 1 . . . . . 192 I HA . 52595 1 877 . 1 . 1 78 78 ILE HB H 1 1.939 0.02 . 1 . . . . . 192 I HB . 52595 1 878 . 1 . 1 78 78 ILE HG12 H 1 1.351 0.02 . 2 . . . . . 192 I HG12 . 52595 1 879 . 1 . 1 78 78 ILE HG13 H 1 0.056 0.02 . 2 . . . . . 192 I HG13 . 52595 1 880 . 1 . 1 78 78 ILE HG21 H 1 0.491 0.02 . 9 . . . . . 192 I HG21 . 52595 1 881 . 1 . 1 78 78 ILE HG22 H 1 0.491 0.02 . 1 . . . . . 192 I HG22 . 52595 1 882 . 1 . 1 78 78 ILE HG23 H 1 0.491 0.02 . 1 . . . . . 192 I HG23 . 52595 1 883 . 1 . 1 78 78 ILE HD11 H 1 0.143 0.02 . 9 . . . . . 192 I HD11 . 52595 1 884 . 1 . 1 78 78 ILE HD12 H 1 0.143 0.02 . 1 . . . . . 192 I HD12 . 52595 1 885 . 1 . 1 78 78 ILE HD13 H 1 0.143 0.02 . 1 . . . . . 192 I HD13 . 52595 1 886 . 1 . 1 78 78 ILE C C 13 177.909 0.2 . 1 . . . . . 192 I C . 52595 1 887 . 1 . 1 78 78 ILE CA C 13 62.342 0.2 . 1 . . . . . 192 I CA . 52595 1 888 . 1 . 1 78 78 ILE CB C 13 34.301 0.2 . 1 . . . . . 192 I CB . 52595 1 889 . 1 . 1 78 78 ILE CG1 C 13 25.478 0.2 . 1 . . . . . 192 I CG1 . 52595 1 890 . 1 . 1 78 78 ILE CG2 C 13 16.016 0.2 . 1 . . . . . 192 I CG2 . 52595 1 891 . 1 . 1 78 78 ILE CD1 C 13 9.950 0.2 . 1 . . . . . 192 I CD1 . 52595 1 892 . 1 . 1 78 78 ILE N N 15 121.746 0.2 . 1 . . . . . 192 I N . 52595 1 893 . 1 . 1 79 79 ARG H H 1 7.434 0.02 . 1 . . . . . 193 R H . 52595 1 894 . 1 . 1 79 79 ARG HA H 1 3.999 0.02 . 1 . . . . . 193 R HA . 52595 1 895 . 1 . 1 79 79 ARG HB2 H 1 2.050 0.02 . 2 . . . . . 193 R HB2 . 52595 1 896 . 1 . 1 79 79 ARG HB3 H 1 1.895 0.02 . 2 . . . . . 193 R HB3 . 52595 1 897 . 1 . 1 79 79 ARG HG2 H 1 1.777 0.02 . 2 . . . . . 193 R HG2 . 52595 1 898 . 1 . 1 79 79 ARG HG3 H 1 1.588 0.02 . 2 . . . . . 193 R HG3 . 52595 1 899 . 1 . 1 79 79 ARG HD2 H 1 3.208 0.02 . 2 . . . . . 193 R HD2 . 52595 1 900 . 1 . 1 79 79 ARG HD3 H 1 3.208 0.02 . 2 . . . . . 193 R HD3 . 52595 1 901 . 1 . 1 79 79 ARG C C 13 179.190 0.2 . 1 . . . . . 193 R C . 52595 1 902 . 1 . 1 79 79 ARG CA C 13 60.212 0.2 . 1 . . . . . 193 R CA . 52595 1 903 . 1 . 1 79 79 ARG CB C 13 29.042 0.2 . 1 . . . . . 193 R CB . 52595 1 904 . 1 . 1 79 79 ARG CG C 13 27.634 0.2 . 1 . . . . . 193 R CG . 52595 1 905 . 1 . 1 79 79 ARG CD C 13 43.373 0.2 . 1 . . . . . 193 R CD . 52595 1 906 . 1 . 1 79 79 ARG N N 15 120.921 0.2 . 1 . . . . . 193 R N . 52595 1 907 . 1 . 1 80 80 TYR H H 1 7.951 0.02 . 1 . . . . . 194 Y H . 52595 1 908 . 1 . 1 80 80 TYR HA H 1 4.555 0.02 . 1 . . . . . 194 Y HA . 52595 1 909 . 1 . 1 80 80 TYR HB2 H 1 3.449 0.02 . 2 . . . . . 194 Y HB2 . 52595 1 910 . 1 . 1 80 80 TYR HB3 H 1 3.302 0.02 . 2 . . . . . 194 Y HB3 . 52595 1 911 . 1 . 1 80 80 TYR HD1 H 1 6.717 0.02 . 3 . . . . . 194 Y HD1 . 52595 1 912 . 1 . 1 80 80 TYR HD2 H 1 6.717 0.02 . 3 . . . . . 194 Y HD2 . 52595 1 913 . 1 . 1 80 80 TYR HE1 H 1 6.383 0.02 . 3 . . . . . 194 Y HE1 . 52595 1 914 . 1 . 1 80 80 TYR HE2 H 1 6.383 0.02 . 3 . . . . . 194 Y HE2 . 52595 1 915 . 1 . 1 80 80 TYR C C 13 179.634 0.2 . 1 . . . . . 194 Y C . 52595 1 916 . 1 . 1 80 80 TYR CA C 13 58.403 0.2 . 1 . . . . . 194 Y CA . 52595 1 917 . 1 . 1 80 80 TYR CB C 13 36.397 0.2 . 1 . . . . . 194 Y CB . 52595 1 918 . 1 . 1 80 80 TYR CD1 C 13 131.139 0.2 . 3 . . . . . 194 Y CD1 . 52595 1 919 . 1 . 1 80 80 TYR CD2 C 13 131.139 0.2 . 3 . . . . . 194 Y CD2 . 52595 1 920 . 1 . 1 80 80 TYR CE1 C 13 117.922 0.2 . 3 . . . . . 194 Y CE1 . 52595 1 921 . 1 . 1 80 80 TYR CE2 C 13 117.922 0.2 . 3 . . . . . 194 Y CE2 . 52595 1 922 . 1 . 1 80 80 TYR N N 15 119.039 0.2 . 1 . . . . . 194 Y N . 52595 1 923 . 1 . 1 81 81 LEU H H 1 8.357 0.02 . 1 . . . . . 195 L H . 52595 1 924 . 1 . 1 81 81 LEU HA H 1 4.001 0.02 . 1 . . . . . 195 L HA . 52595 1 925 . 1 . 1 81 81 LEU HB2 H 1 1.939 0.02 . 2 . . . . . 195 L HB2 . 52595 1 926 . 1 . 1 81 81 LEU HB3 H 1 1.597 0.02 . 2 . . . . . 195 L HB3 . 52595 1 927 . 1 . 1 81 81 LEU HG H 1 1.842 0.02 . 1 . . . . . 195 L HG . 52595 1 928 . 1 . 1 81 81 LEU HD11 H 1 0.949 0.02 . 2 . . . . . 195 L HD11 . 52595 1 929 . 1 . 1 81 81 LEU HD12 H 1 0.949 0.02 . 2 . . . . . 195 L HD12 . 52595 1 930 . 1 . 1 81 81 LEU HD13 H 1 0.949 0.02 . 2 . . . . . 195 L HD13 . 52595 1 931 . 1 . 1 81 81 LEU HD21 H 1 0.922 0.02 . 2 . . . . . 195 L HD21 . 52595 1 932 . 1 . 1 81 81 LEU HD22 H 1 0.922 0.02 . 2 . . . . . 195 L HD22 . 52595 1 933 . 1 . 1 81 81 LEU HD23 H 1 0.922 0.02 . 2 . . . . . 195 L HD23 . 52595 1 934 . 1 . 1 81 81 LEU C C 13 178.904 0.2 . 1 . . . . . 195 L C . 52595 1 935 . 1 . 1 81 81 LEU CA C 13 58.234 0.2 . 1 . . . . . 195 L CA . 52595 1 936 . 1 . 1 81 81 LEU CB C 13 42.930 0.2 . 1 . . . . . 195 L CB . 52595 1 937 . 1 . 1 81 81 LEU CG C 13 27.438 0.2 . 1 . . . . . 195 L CG . 52595 1 938 . 1 . 1 81 81 LEU CD1 C 13 25.023 0.2 . 2 . . . . . 195 L CD1 . 52595 1 939 . 1 . 1 81 81 LEU CD2 C 13 25.205 0.2 . 2 . . . . . 195 L CD2 . 52595 1 940 . 1 . 1 81 81 LEU N N 15 119.814 0.2 . 1 . . . . . 195 L N . 52595 1 941 . 1 . 1 82 82 ARG H H 1 8.853 0.02 . 1 . . . . . 196 R H . 52595 1 942 . 1 . 1 82 82 ARG HA H 1 3.719 0.02 . 1 . . . . . 196 R HA . 52595 1 943 . 1 . 1 82 82 ARG HB2 H 1 1.836 0.02 . 2 . . . . . 196 R HB2 . 52595 1 944 . 1 . 1 82 82 ARG HB3 H 1 2.023 0.02 . 2 . . . . . 196 R HB3 . 52595 1 945 . 1 . 1 82 82 ARG HD2 H 1 3.217 0.02 . 2 . . . . . 196 R HD2 . 52595 1 946 . 1 . 1 82 82 ARG HD3 H 1 3.224 0.02 . 2 . . . . . 196 R HD3 . 52595 1 947 . 1 . 1 82 82 ARG C C 13 178.693 0.2 . 1 . . . . . 196 R C . 52595 1 948 . 1 . 1 82 82 ARG CA C 13 61.550 0.2 . 1 . . . . . 196 R CA . 52595 1 949 . 1 . 1 82 82 ARG CB C 13 31.385 0.2 . 1 . . . . . 196 R CB . 52595 1 950 . 1 . 1 82 82 ARG CG C 13 29.460 0.2 . 1 . . . . . 196 R CG . 52595 1 951 . 1 . 1 82 82 ARG CD C 13 44.042 0.2 . 1 . . . . . 196 R CD . 52595 1 952 . 1 . 1 82 82 ARG N N 15 117.929 0.2 . 1 . . . . . 196 R N . 52595 1 953 . 1 . 1 83 83 ASN H H 1 8.455 0.02 . 1 . . . . . 197 N H . 52595 1 954 . 1 . 1 83 83 ASN HA H 1 4.515 0.02 . 1 . . . . . 197 N HA . 52595 1 955 . 1 . 1 83 83 ASN HB2 H 1 3.165 0.02 . 2 . . . . . 197 N HB2 . 52595 1 956 . 1 . 1 83 83 ASN HB3 H 1 2.893 0.02 . 2 . . . . . 197 N HB3 . 52595 1 957 . 1 . 1 83 83 ASN C C 13 178.706 0.2 . 1 . . . . . 197 N C . 52595 1 958 . 1 . 1 83 83 ASN CA C 13 56.187 0.2 . 1 . . . . . 197 N CA . 52595 1 959 . 1 . 1 83 83 ASN CB C 13 37.603 0.2 . 1 . . . . . 197 N CB . 52595 1 960 . 1 . 1 83 83 ASN N N 15 116.448 0.2 . 1 . . . . . 197 N N . 52595 1 961 . 1 . 1 84 84 LYS H H 1 7.951 0.02 . 1 . . . . . 198 K H . 52595 1 962 . 1 . 1 84 84 LYS HA H 1 4.265 0.02 . 1 . . . . . 198 K HA . 52595 1 963 . 1 . 1 84 84 LYS HB2 H 1 1.814 0.02 . 2 . . . . . 198 K HB2 . 52595 1 964 . 1 . 1 84 84 LYS HB3 H 1 1.587 0.02 . 2 . . . . . 198 K HB3 . 52595 1 965 . 1 . 1 84 84 LYS HE2 H 1 2.999 0.02 . 2 . . . . . 198 K HE2 . 52595 1 966 . 1 . 1 84 84 LYS HE3 H 1 2.999 0.02 . 2 . . . . . 198 K HE3 . 52595 1 967 . 1 . 1 84 84 LYS C C 13 178.070 0.2 . 1 . . . . . 198 K C . 52595 1 968 . 1 . 1 84 84 LYS CA C 13 58.457 0.2 . 1 . . . . . 198 K CA . 52595 1 969 . 1 . 1 84 84 LYS CB C 13 33.059 0.2 . 1 . . . . . 198 K CB . 52595 1 970 . 1 . 1 84 84 LYS CG C 13 26.336 0.2 . 1 . . . . . 198 K CG . 52595 1 971 . 1 . 1 84 84 LYS CD C 13 29.529 0.2 . 1 . . . . . 198 K CD . 52595 1 972 . 1 . 1 84 84 LYS CE C 13 41.997 0.2 . 1 . . . . . 198 K CE . 52595 1 973 . 1 . 1 84 84 LYS N N 15 119.004 0.2 . 1 . . . . . 198 K N . 52595 1 974 . 1 . 1 85 85 LEU H H 1 7.719 0.02 . 1 . . . . . 199 L H . 52595 1 975 . 1 . 1 85 85 LEU HA H 1 4.529 0.02 . 1 . . . . . 199 L HA . 52595 1 976 . 1 . 1 85 85 LEU HB2 H 1 1.333 0.02 . 2 . . . . . 199 L HB2 . 52595 1 977 . 1 . 1 85 85 LEU HB3 H 1 1.651 0.02 . 2 . . . . . 199 L HB3 . 52595 1 978 . 1 . 1 85 85 LEU HG H 1 1.879 0.02 . 1 . . . . . 199 L HG . 52595 1 979 . 1 . 1 85 85 LEU HD11 H 1 0.762 0.02 . 2 . . . . . 199 L HD11 . 52595 1 980 . 1 . 1 85 85 LEU HD12 H 1 0.762 0.02 . 2 . . . . . 199 L HD12 . 52595 1 981 . 1 . 1 85 85 LEU HD13 H 1 0.762 0.02 . 2 . . . . . 199 L HD13 . 52595 1 982 . 1 . 1 85 85 LEU HD21 H 1 0.731 0.02 . 2 . . . . . 199 L HD21 . 52595 1 983 . 1 . 1 85 85 LEU HD22 H 1 0.731 0.02 . 2 . . . . . 199 L HD22 . 52595 1 984 . 1 . 1 85 85 LEU HD23 H 1 0.731 0.02 . 2 . . . . . 199 L HD23 . 52595 1 985 . 1 . 1 85 85 LEU C C 13 178.949 0.2 . 1 . . . . . 199 L C . 52595 1 986 . 1 . 1 85 85 LEU CA C 13 55.442 0.2 . 1 . . . . . 199 L CA . 52595 1 987 . 1 . 1 85 85 LEU CB C 13 42.275 0.2 . 1 . . . . . 199 L CB . 52595 1 988 . 1 . 1 85 85 LEU CG C 13 27.030 0.2 . 1 . . . . . 199 L CG . 52595 1 989 . 1 . 1 85 85 LEU CD1 C 13 25.320 0.2 . 1 . . . . . 199 L CD1 . 52595 1 990 . 1 . 1 85 85 LEU CD2 C 13 22.327 0.2 . 1 . . . . . 199 L CD2 . 52595 1 991 . 1 . 1 85 85 LEU N N 15 115.956 0.2 . 1 . . . . . 199 L N . 52595 1 992 . 1 . 1 86 86 LYS H H 1 8.062 0.02 . 1 . . . . . 200 K H . 52595 1 993 . 1 . 1 86 86 LYS HA H 1 4.568 0.02 . 1 . . . . . 200 K HA . 52595 1 994 . 1 . 1 86 86 LYS HB2 H 1 2.083 0.02 . 2 . . . . . 200 K HB2 . 52595 1 995 . 1 . 1 86 86 LYS HB3 H 1 2.083 0.02 . 2 . . . . . 200 K HB3 . 52595 1 996 . 1 . 1 86 86 LYS HG2 H 1 1.479 0.02 . 2 . . . . . 200 K HG2 . 52595 1 997 . 1 . 1 86 86 LYS HG3 H 1 1.581 0.02 . 2 . . . . . 200 K HG3 . 52595 1 998 . 1 . 1 86 86 LYS HD2 H 1 1.760 0.02 . 2 . . . . . 200 K HD2 . 52595 1 999 . 1 . 1 86 86 LYS HD3 H 1 1.760 0.02 . 2 . . . . . 200 K HD3 . 52595 1 1000 . 1 . 1 86 86 LYS HE2 H 1 2.999 0.02 . 2 . . . . . 200 K HE2 . 52595 1 1001 . 1 . 1 86 86 LYS HE3 H 1 2.999 0.02 . 2 . . . . . 200 K HE3 . 52595 1 1002 . 1 . 1 86 86 LYS C C 13 176.042 0.2 . 1 . . . . . 200 K C . 52595 1 1003 . 1 . 1 86 86 LYS CA C 13 60.982 0.2 . 1 . . . . . 200 K CA . 52595 1 1004 . 1 . 1 86 86 LYS CB C 13 30.691 0.2 . 1 . . . . . 200 K CB . 52595 1 1005 . 1 . 1 86 86 LYS CG C 13 25.018 0.2 . 1 . . . . . 200 K CG . 52595 1 1006 . 1 . 1 86 86 LYS CD C 13 29.191 0.2 . 1 . . . . . 200 K CD . 52595 1 1007 . 1 . 1 86 86 LYS CE C 13 41.997 0.2 . 1 . . . . . 200 K CE . 52595 1 1008 . 1 . 1 86 86 LYS N N 15 126.315 0.2 . 1 . . . . . 200 K N . 52595 1 1009 . 1 . 1 87 87 PRO HA H 1 4.325 0.02 . 1 . . . . . 201 P HA . 52595 1 1010 . 1 . 1 87 87 PRO HB2 H 1 2.141 0.02 . 2 . . . . . 201 P HB2 . 52595 1 1011 . 1 . 1 87 87 PRO HB3 H 1 0.889 0.02 . 2 . . . . . 201 P HB3 . 52595 1 1012 . 1 . 1 87 87 PRO HG2 H 1 1.948 0.02 . 2 . . . . . 201 P HG2 . 52595 1 1013 . 1 . 1 87 87 PRO HG3 H 1 1.874 0.02 . 2 . . . . . 201 P HG3 . 52595 1 1014 . 1 . 1 87 87 PRO HD2 H 1 3.838 0.02 . 2 . . . . . 201 P HD2 . 52595 1 1015 . 1 . 1 87 87 PRO HD3 H 1 3.512 0.02 . 2 . . . . . 201 P HD3 . 52595 1 1016 . 1 . 1 87 87 PRO C C 13 175.693 0.2 . 1 . . . . . 201 P C . 52595 1 1017 . 1 . 1 87 87 PRO CA C 13 65.245 0.2 . 1 . . . . . 201 P CA . 52595 1 1018 . 1 . 1 87 87 PRO CB C 13 30.542 0.2 . 1 . . . . . 201 P CB . 52595 1 1019 . 1 . 1 87 87 PRO CG C 13 28.074 0.2 . 1 . . . . . 201 P CG . 52595 1 1020 . 1 . 1 87 87 PRO CD C 13 51.113 0.2 . 1 . . . . . 201 P CD . 52595 1 1021 . 1 . 1 88 88 TYR H H 1 7.023 0.02 . 1 . . . . . 202 Y H . 52595 1 1022 . 1 . 1 88 88 TYR HA H 1 4.575 0.02 . 1 . . . . . 202 Y HA . 52595 1 1023 . 1 . 1 88 88 TYR HB2 H 1 3.469 0.02 . 2 . . . . . 202 Y HB2 . 52595 1 1024 . 1 . 1 88 88 TYR HB3 H 1 2.487 0.02 . 2 . . . . . 202 Y HB3 . 52595 1 1025 . 1 . 1 88 88 TYR HD1 H 1 7.075 0.02 . 3 . . . . . 202 Y HD1 . 52595 1 1026 . 1 . 1 88 88 TYR HD2 H 1 7.075 0.02 . 3 . . . . . 202 Y HD2 . 52595 1 1027 . 1 . 1 88 88 TYR HE1 H 1 6.850 0.02 . 3 . . . . . 202 Y HE1 . 52595 1 1028 . 1 . 1 88 88 TYR HE2 H 1 6.850 0.02 . 3 . . . . . 202 Y HE2 . 52595 1 1029 . 1 . 1 88 88 TYR C C 13 174.858 0.2 . 1 . . . . . 202 Y C . 52595 1 1030 . 1 . 1 88 88 TYR CA C 13 56.098 0.2 . 1 . . . . . 202 Y CA . 52595 1 1031 . 1 . 1 88 88 TYR CB C 13 38.928 0.2 . 1 . . . . . 202 Y CB . 52595 1 1032 . 1 . 1 88 88 TYR CD1 C 13 132.936 0.2 . 3 . . . . . 202 Y CD1 . 52595 1 1033 . 1 . 1 88 88 TYR CD2 C 13 132.936 0.2 . 3 . . . . . 202 Y CD2 . 52595 1 1034 . 1 . 1 88 88 TYR CE1 C 13 118.359 0.2 . 3 . . . . . 202 Y CE1 . 52595 1 1035 . 1 . 1 88 88 TYR CE2 C 13 118.349 0.2 . 3 . . . . . 202 Y CE2 . 52595 1 1036 . 1 . 1 88 88 TYR N N 15 114.129 0.2 . 1 . . . . . 202 Y N . 52595 1 1037 . 1 . 1 89 89 ASP H H 1 8.657 0.02 . 1 . . . . . 203 D H . 52595 1 1038 . 1 . 1 89 89 ASP HA H 1 4.572 0.02 . 1 . . . . . 203 D HA . 52595 1 1039 . 1 . 1 89 89 ASP HB2 H 1 3.189 0.02 . 2 . . . . . 203 D HB2 . 52595 1 1040 . 1 . 1 89 89 ASP HB3 H 1 2.638 0.02 . 2 . . . . . 203 D HB3 . 52595 1 1041 . 1 . 1 89 89 ASP C C 13 176.784 0.2 . 1 . . . . . 203 D C . 52595 1 1042 . 1 . 1 89 89 ASP CA C 13 55.339 0.2 . 1 . . . . . 203 D CA . 52595 1 1043 . 1 . 1 89 89 ASP CB C 13 39.680 0.2 . 1 . . . . . 203 D CB . 52595 1 1044 . 1 . 1 89 89 ASP N N 15 117.724 0.2 . 1 . . . . . 203 D N . 52595 1 1045 . 1 . 1 90 90 ARG H H 1 7.405 0.02 . 1 . . . . . 204 R H . 52595 1 1046 . 1 . 1 90 90 ARG HA H 1 4.926 0.02 . 1 . . . . . 204 R HA . 52595 1 1047 . 1 . 1 90 90 ARG HB2 H 1 1.487 0.02 . 2 . . . . . 204 R HB2 . 52595 1 1048 . 1 . 1 90 90 ARG HB3 H 1 2.474 0.02 . 2 . . . . . 204 R HB3 . 52595 1 1049 . 1 . 1 90 90 ARG HG2 H 1 1.906 0.02 . 2 . . . . . 204 R HG2 . 52595 1 1050 . 1 . 1 90 90 ARG HG3 H 1 1.621 0.02 . 2 . . . . . 204 R HG3 . 52595 1 1051 . 1 . 1 90 90 ARG HD2 H 1 3.215 0.02 . 2 . . . . . 204 R HD2 . 52595 1 1052 . 1 . 1 90 90 ARG HD3 H 1 3.399 0.02 . 2 . . . . . 204 R HD3 . 52595 1 1053 . 1 . 1 90 90 ARG C C 13 175.682 0.2 . 1 . . . . . 204 R C . 52595 1 1054 . 1 . 1 90 90 ARG CA C 13 54.336 0.2 . 1 . . . . . 204 R CA . 52595 1 1055 . 1 . 1 90 90 ARG CB C 13 32.545 0.2 . 1 . . . . . 204 R CB . 52595 1 1056 . 1 . 1 90 90 ARG CG C 13 27.230 0.2 . 1 . . . . . 204 R CG . 52595 1 1057 . 1 . 1 90 90 ARG CD C 13 43.075 0.2 . 1 . . . . . 204 R CD . 52595 1 1058 . 1 . 1 90 90 ARG N N 15 113.686 0.2 . 1 . . . . . 204 R N . 52595 1 1059 . 1 . 1 91 91 ASP H H 1 9.913 0.02 . 1 . . . . . 205 D H . 52595 1 1060 . 1 . 1 91 91 ASP HA H 1 4.045 0.02 . 1 . . . . . 205 D HA . 52595 1 1061 . 1 . 1 91 91 ASP HB2 H 1 2.957 0.02 . 2 . . . . . 205 D HB2 . 52595 1 1062 . 1 . 1 91 91 ASP HB3 H 1 2.425 0.02 . 2 . . . . . 205 D HB3 . 52595 1 1063 . 1 . 1 91 91 ASP C C 13 177.844 0.2 . 1 . . . . . 205 D C . 52595 1 1064 . 1 . 1 91 91 ASP CA C 13 56.836 0.2 . 1 . . . . . 205 D CA . 52595 1 1065 . 1 . 1 91 91 ASP CB C 13 39.872 0.2 . 1 . . . . . 205 D CB . 52595 1 1066 . 1 . 1 91 91 ASP N N 15 117.932 0.2 . 1 . . . . . 205 D N . 52595 1 1067 . 1 . 1 92 92 LYS H H 1 7.695 0.02 . 1 . . . . . 206 K H . 52595 1 1068 . 1 . 1 92 92 LYS HA H 1 4.195 0.02 . 1 . . . . . 206 K HA . 52595 1 1069 . 1 . 1 92 92 LYS HB2 H 1 1.836 0.02 . 2 . . . . . 206 K HB2 . 52595 1 1070 . 1 . 1 92 92 LYS HB3 H 1 1.736 0.02 . 2 . . . . . 206 K HB3 . 52595 1 1071 . 1 . 1 92 92 LYS HG2 H 1 1.416 0.02 . 2 . . . . . 206 K HG2 . 52595 1 1072 . 1 . 1 92 92 LYS HG3 H 1 1.416 0.02 . 2 . . . . . 206 K HG3 . 52595 1 1073 . 1 . 1 92 92 LYS HD2 H 1 1.678 0.02 . 2 . . . . . 206 K HD2 . 52595 1 1074 . 1 . 1 92 92 LYS HD3 H 1 1.678 0.02 . 2 . . . . . 206 K HD3 . 52595 1 1075 . 1 . 1 92 92 LYS HE2 H 1 2.997 0.02 . 2 . . . . . 206 K HE2 . 52595 1 1076 . 1 . 1 92 92 LYS HE3 H 1 2.997 0.02 . 2 . . . . . 206 K HE3 . 52595 1 1077 . 1 . 1 92 92 LYS C C 13 177.039 0.2 . 1 . . . . . 206 K C . 52595 1 1078 . 1 . 1 92 92 LYS CA C 13 57.154 0.2 . 1 . . . . . 206 K CA . 52595 1 1079 . 1 . 1 92 92 LYS CB C 13 31.324 0.2 . 1 . . . . . 206 K CB . 52595 1 1080 . 1 . 1 92 92 LYS CG C 13 24.875 0.2 . 1 . . . . . 206 K CG . 52595 1 1081 . 1 . 1 92 92 LYS CD C 13 28.715 0.2 . 1 . . . . . 206 K CD . 52595 1 1082 . 1 . 1 92 92 LYS CE C 13 41.999 0.2 . 1 . . . . . 206 K CE . 52595 1 1083 . 1 . 1 92 92 LYS N N 15 115.293 0.2 . 1 . . . . . 206 K N . 52595 1 1084 . 1 . 1 93 93 MET H H 1 7.312 0.02 . 1 . . . . . 207 M H . 52595 1 1085 . 1 . 1 93 93 MET HA H 1 4.268 0.02 . 1 . . . . . 207 M HA . 52595 1 1086 . 1 . 1 93 93 MET HB2 H 1 2.268 0.02 . 2 . . . . . 207 M HB2 . 52595 1 1087 . 1 . 1 93 93 MET HB3 H 1 2.126 0.02 . 2 . . . . . 207 M HB3 . 52595 1 1088 . 1 . 1 93 93 MET HG2 H 1 2.919 0.02 . 2 . . . . . 207 M HG2 . 52595 1 1089 . 1 . 1 93 93 MET HG3 H 1 2.452 0.02 . 2 . . . . . 207 M HG3 . 52595 1 1090 . 1 . 1 93 93 MET HE1 H 1 2.105 0.02 . 9 . . . . . 207 M HE1 . 52595 1 1091 . 1 . 1 93 93 MET HE2 H 1 2.105 0.02 . 1 . . . . . 207 M HE2 . 52595 1 1092 . 1 . 1 93 93 MET HE3 H 1 2.105 0.02 . 1 . . . . . 207 M HE3 . 52595 1 1093 . 1 . 1 93 93 MET C C 13 176.034 0.2 . 1 . . . . . 207 M C . 52595 1 1094 . 1 . 1 93 93 MET CA C 13 57.455 0.2 . 1 . . . . . 207 M CA . 52595 1 1095 . 1 . 1 93 93 MET CB C 13 32.941 0.2 . 1 . . . . . 207 M CB . 52595 1 1096 . 1 . 1 93 93 MET CG C 13 31.913 0.2 . 1 . . . . . 207 M CG . 52595 1 1097 . 1 . 1 93 93 MET CE C 13 17.621 0.2 . 1 . . . . . 207 M CE . 52595 1 1098 . 1 . 1 93 93 MET N N 15 116.410 0.2 . 1 . . . . . 207 M N . 52595 1 1099 . 1 . 1 94 94 ILE H H 1 7.075 0.02 . 1 . . . . . 208 I H . 52595 1 1100 . 1 . 1 94 94 ILE HA H 1 4.288 0.02 . 1 . . . . . 208 I HA . 52595 1 1101 . 1 . 1 94 94 ILE HB H 1 1.845 0.02 . 1 . . . . . 208 I HB . 52595 1 1102 . 1 . 1 94 94 ILE HG12 H 1 1.501 0.02 . 2 . . . . . 208 I HG12 . 52595 1 1103 . 1 . 1 94 94 ILE HG13 H 1 1.501 0.02 . 2 . . . . . 208 I HG13 . 52595 1 1104 . 1 . 1 94 94 ILE HG21 H 1 0.756 0.02 . 9 . . . . . 208 I HG21 . 52595 1 1105 . 1 . 1 94 94 ILE HG22 H 1 0.756 0.02 . 1 . . . . . 208 I HG22 . 52595 1 1106 . 1 . 1 94 94 ILE HG23 H 1 0.756 0.02 . 1 . . . . . 208 I HG23 . 52595 1 1107 . 1 . 1 94 94 ILE HD11 H 1 0.723 0.02 . 9 . . . . . 208 I HD11 . 52595 1 1108 . 1 . 1 94 94 ILE HD12 H 1 0.723 0.02 . 1 . . . . . 208 I HD12 . 52595 1 1109 . 1 . 1 94 94 ILE HD13 H 1 0.723 0.02 . 1 . . . . . 208 I HD13 . 52595 1 1110 . 1 . 1 94 94 ILE C C 13 174.869 0.2 . 1 . . . . . 208 I C . 52595 1 1111 . 1 . 1 94 94 ILE CA C 13 60.505 0.2 . 1 . . . . . 208 I CA . 52595 1 1112 . 1 . 1 94 94 ILE CB C 13 37.093 0.2 . 1 . . . . . 208 I CB . 52595 1 1113 . 1 . 1 94 94 ILE CG1 C 13 27.509 0.2 . 1 . . . . . 208 I CG1 . 52595 1 1114 . 1 . 1 94 94 ILE CG2 C 13 17.620 0.2 . 1 . . . . . 208 I CG2 . 52595 1 1115 . 1 . 1 94 94 ILE CD1 C 13 13.902 0.2 . 1 . . . . . 208 I CD1 . 52595 1 1116 . 1 . 1 94 94 ILE N N 15 116.863 0.2 . 1 . . . . . 208 I N . 52595 1 1117 . 1 . 1 95 95 GLU H H 1 9.379 0.02 . 1 . . . . . 209 E H . 52595 1 1118 . 1 . 1 95 95 GLU HA H 1 4.626 0.02 . 1 . . . . . 209 E HA . 52595 1 1119 . 1 . 1 95 95 GLU HB2 H 1 2.095 0.02 . 2 . . . . . 209 E HB2 . 52595 1 1120 . 1 . 1 95 95 GLU HB3 H 1 2.095 0.02 . 2 . . . . . 209 E HB3 . 52595 1 1121 . 1 . 1 95 95 GLU HG2 H 1 2.328 0.02 . 2 . . . . . 209 E HG2 . 52595 1 1122 . 1 . 1 95 95 GLU HG3 H 1 2.328 0.02 . 2 . . . . . 209 E HG3 . 52595 1 1123 . 1 . 1 95 95 GLU C C 13 176.167 0.2 . 1 . . . . . 209 E C . 52595 1 1124 . 1 . 1 95 95 GLU CA C 13 55.871 0.2 . 1 . . . . . 209 E CA . 52595 1 1125 . 1 . 1 95 95 GLU CB C 13 31.920 0.2 . 1 . . . . . 209 E CB . 52595 1 1126 . 1 . 1 95 95 GLU CG C 13 36.428 0.2 . 1 . . . . . 209 E CG . 52595 1 1127 . 1 . 1 95 95 GLU N N 15 131.811 0.2 . 1 . . . . . 209 E N . 52595 1 1128 . 1 . 1 96 96 THR H H 1 8.984 0.02 . 1 . . . . . 210 T H . 52595 1 1129 . 1 . 1 96 96 THR HA H 1 4.273 0.02 . 1 . . . . . 210 T HA . 52595 1 1130 . 1 . 1 96 96 THR HB H 1 4.105 0.02 . 1 . . . . . 210 T HB . 52595 1 1131 . 1 . 1 96 96 THR HG21 H 1 1.048 0.02 . 9 . . . . . 210 T HG21 . 52595 1 1132 . 1 . 1 96 96 THR HG22 H 1 1.048 0.02 . 1 . . . . . 210 T HG22 . 52595 1 1133 . 1 . 1 96 96 THR HG23 H 1 1.048 0.02 . 1 . . . . . 210 T HG23 . 52595 1 1134 . 1 . 1 96 96 THR C C 13 174.146 0.2 . 1 . . . . . 210 T C . 52595 1 1135 . 1 . 1 96 96 THR CA C 13 62.624 0.2 . 1 . . . . . 210 T CA . 52595 1 1136 . 1 . 1 96 96 THR CB C 13 69.680 0.2 . 1 . . . . . 210 T CB . 52595 1 1137 . 1 . 1 96 96 THR CG2 C 13 22.189 0.2 . 1 . . . . . 210 T CG2 . 52595 1 1138 . 1 . 1 96 96 THR N N 15 121.013 0.2 . 1 . . . . . 210 T N . 52595 1 1139 . 1 . 1 97 97 VAL H H 1 8.526 0.02 . 1 . . . . . 211 V H . 52595 1 1140 . 1 . 1 97 97 VAL HA H 1 4.130 0.02 . 1 . . . . . 211 V HA . 52595 1 1141 . 1 . 1 97 97 VAL HB H 1 1.470 0.02 . 1 . . . . . 211 V HB . 52595 1 1142 . 1 . 1 97 97 VAL HG11 H 1 0.793 0.02 . 2 . . . . . 211 V HG11 . 52595 1 1143 . 1 . 1 97 97 VAL HG12 H 1 0.793 0.02 . 2 . . . . . 211 V HG12 . 52595 1 1144 . 1 . 1 97 97 VAL HG13 H 1 0.793 0.02 . 2 . . . . . 211 V HG13 . 52595 1 1145 . 1 . 1 97 97 VAL HG21 H 1 0.712 0.02 . 2 . . . . . 211 V HG21 . 52595 1 1146 . 1 . 1 97 97 VAL HG22 H 1 0.712 0.02 . 2 . . . . . 211 V HG22 . 52595 1 1147 . 1 . 1 97 97 VAL HG23 H 1 0.712 0.02 . 2 . . . . . 211 V HG23 . 52595 1 1148 . 1 . 1 97 97 VAL CA C 13 61.534 0.2 . 1 . . . . . 211 V CA . 52595 1 1149 . 1 . 1 97 97 VAL CB C 13 30.941 0.2 . 1 . . . . . 211 V CB . 52595 1 1150 . 1 . 1 97 97 VAL CG1 C 13 20.856 0.2 . 1 . . . . . 211 V CG1 . 52595 1 1151 . 1 . 1 97 97 VAL CG2 C 13 20.600 0.2 . 1 . . . . . 211 V CG2 . 52595 1 1152 . 1 . 1 97 97 VAL N N 15 130.072 0.2 . 1 . . . . . 211 V N . 52595 1 1153 . 1 . 1 98 98 ARG HA H 1 3.860 0.02 . 1 . . . . . 212 R HA . 52595 1 1154 . 1 . 1 98 98 ARG HB2 H 1 1.803 0.02 . 2 . . . . . 212 R HB2 . 52595 1 1155 . 1 . 1 98 98 ARG HB3 H 1 1.803 0.02 . 2 . . . . . 212 R HB3 . 52595 1 1156 . 1 . 1 98 98 ARG HG2 H 1 1.680 0.02 . 2 . . . . . 212 R HG2 . 52595 1 1157 . 1 . 1 98 98 ARG HG3 H 1 1.558 0.02 . 2 . . . . . 212 R HG3 . 52595 1 1158 . 1 . 1 98 98 ARG HD2 H 1 3.210 0.02 . 2 . . . . . 212 R HD2 . 52595 1 1159 . 1 . 1 98 98 ARG CA C 13 58.341 0.2 . 1 . . . . . 212 R CA . 52595 1 1160 . 1 . 1 98 98 ARG CB C 13 29.556 0.2 . 1 . . . . . 212 R CB . 52595 1 1161 . 1 . 1 98 98 ARG CG C 13 27.144 0.2 . 1 . . . . . 212 R CG . 52595 1 1162 . 1 . 1 98 98 ARG CD C 13 43.246 0.2 . 1 . . . . . 212 R CD . 52595 1 1163 . 1 . 1 99 99 GLY HA2 H 1 4.160 0.02 . 2 . . . . . 213 G HA2 . 52595 1 1164 . 1 . 1 99 99 GLY HA3 H 1 3.773 0.02 . 2 . . . . . 213 G HA3 . 52595 1 1165 . 1 . 1 99 99 GLY C C 13 174.095 0.2 . 1 . . . . . 213 G C . 52595 1 1166 . 1 . 1 99 99 GLY CA C 13 45.433 0.2 . 1 . . . . . 213 G CA . 52595 1 1167 . 1 . 1 100 100 VAL H H 1 8.128 0.02 . 1 . . . . . 214 V H . 52595 1 1168 . 1 . 1 100 100 VAL HA H 1 4.283 0.02 . 9 . . . . . 214 V HA . 52595 1 1169 . 1 . 1 100 100 VAL HB H 1 1.641 0.02 . 1 . . . . . 214 V HB . 52595 1 1170 . 1 . 1 100 100 VAL HG11 H 1 0.828 0.02 . 2 . . . . . 214 V HG11 . 52595 1 1171 . 1 . 1 100 100 VAL HG12 H 1 0.828 0.02 . 2 . . . . . 214 V HG12 . 52595 1 1172 . 1 . 1 100 100 VAL HG13 H 1 0.828 0.02 . 2 . . . . . 214 V HG13 . 52595 1 1173 . 1 . 1 100 100 VAL HG21 H 1 0.814 0.02 . 2 . . . . . 214 V HG21 . 52595 1 1174 . 1 . 1 100 100 VAL HG22 H 1 0.814 0.02 . 2 . . . . . 214 V HG22 . 52595 1 1175 . 1 . 1 100 100 VAL HG23 H 1 0.814 0.02 . 2 . . . . . 214 V HG23 . 52595 1 1176 . 1 . 1 100 100 VAL C C 13 176.315 0.2 . 1 . . . . . 214 V C . 52595 1 1177 . 1 . 1 100 100 VAL CA C 13 63.817 0.2 . 1 . . . . . 214 V CA . 52595 1 1178 . 1 . 1 100 100 VAL CB C 13 35.393 0.2 . 1 . . . . . 214 V CB . 52595 1 1179 . 1 . 1 100 100 VAL CG1 C 13 21.609 0.2 . 1 . . . . . 214 V CG1 . 52595 1 1180 . 1 . 1 100 100 VAL CG2 C 13 20.138 0.2 . 1 . . . . . 214 V CG2 . 52595 1 1181 . 1 . 1 100 100 VAL N N 15 117.642 0.2 . 1 . . . . . 214 V N . 52595 1 1182 . 1 . 1 101 101 GLY H H 1 7.914 0.02 . 1 . . . . . 215 G H . 52595 1 1183 . 1 . 1 101 101 GLY HA2 H 1 4.567 0.02 . 2 . . . . . 215 G HA2 . 52595 1 1184 . 1 . 1 101 101 GLY HA3 H 1 3.544 0.02 . 2 . . . . . 215 G HA3 . 52595 1 1185 . 1 . 1 101 101 GLY C C 13 170.942 0.2 . 1 . . . . . 215 G C . 52595 1 1186 . 1 . 1 101 101 GLY CA C 13 46.420 0.2 . 1 . . . . . 215 G CA . 52595 1 1187 . 1 . 1 101 101 GLY N N 15 106.467 0.2 . 1 . . . . . 215 G N . 52595 1 1188 . 1 . 1 102 102 TYR H H 1 8.500 0.02 . 1 . . . . . 216 Y H . 52595 1 1189 . 1 . 1 102 102 TYR HA H 1 5.566 0.02 . 1 . . . . . 216 Y HA . 52595 1 1190 . 1 . 1 102 102 TYR HB2 H 1 2.870 0.02 . 2 . . . . . 216 Y HB2 . 52595 1 1191 . 1 . 1 102 102 TYR HB3 H 1 2.282 0.02 . 2 . . . . . 216 Y HB3 . 52595 1 1192 . 1 . 1 102 102 TYR HD1 H 1 6.786 0.02 . 3 . . . . . 216 Y HD1 . 52595 1 1193 . 1 . 1 102 102 TYR HD2 H 1 6.786 0.02 . 3 . . . . . 216 Y HD2 . 52595 1 1194 . 1 . 1 102 102 TYR HE1 H 1 6.741 0.02 . 3 . . . . . 216 Y HE1 . 52595 1 1195 . 1 . 1 102 102 TYR HE2 H 1 6.741 0.02 . 3 . . . . . 216 Y HE2 . 52595 1 1196 . 1 . 1 102 102 TYR C C 13 172.591 0.2 . 1 . . . . . 216 Y C . 52595 1 1197 . 1 . 1 102 102 TYR CA C 13 57.222 0.2 . 1 . . . . . 216 Y CA . 52595 1 1198 . 1 . 1 102 102 TYR CB C 13 44.720 0.2 . 1 . . . . . 216 Y CB . 52595 1 1199 . 1 . 1 102 102 TYR CD1 C 13 132.813 0.2 . 3 . . . . . 216 Y CD1 . 52595 1 1200 . 1 . 1 102 102 TYR CD2 C 13 132.813 0.2 . 3 . . . . . 216 Y CD2 . 52595 1 1201 . 1 . 1 102 102 TYR CE1 C 13 118.427 0.2 . 3 . . . . . 216 Y CE1 . 52595 1 1202 . 1 . 1 102 102 TYR CE2 C 13 118.427 0.2 . 3 . . . . . 216 Y CE2 . 52595 1 1203 . 1 . 1 102 102 TYR N N 15 121.439 0.2 . 1 . . . . . 216 Y N . 52595 1 1204 . 1 . 1 103 103 VAL H H 1 8.807 0.02 . 1 . . . . . 217 V H . 52595 1 1205 . 1 . 1 103 103 VAL HA H 1 4.918 0.02 . 1 . . . . . 217 V HA . 52595 1 1206 . 1 . 1 103 103 VAL HB H 1 1.858 0.02 . 1 . . . . . 217 V HB . 52595 1 1207 . 1 . 1 103 103 VAL HG11 H 1 0.653 0.02 . 2 . . . . . 217 V HG11 . 52595 1 1208 . 1 . 1 103 103 VAL HG12 H 1 0.653 0.02 . 2 . . . . . 217 V HG12 . 52595 1 1209 . 1 . 1 103 103 VAL HG13 H 1 0.653 0.02 . 2 . . . . . 217 V HG13 . 52595 1 1210 . 1 . 1 103 103 VAL HG21 H 1 0.697 0.02 . 2 . . . . . 217 V HG21 . 52595 1 1211 . 1 . 1 103 103 VAL HG22 H 1 0.697 0.02 . 2 . . . . . 217 V HG22 . 52595 1 1212 . 1 . 1 103 103 VAL HG23 H 1 0.697 0.02 . 2 . . . . . 217 V HG23 . 52595 1 1213 . 1 . 1 103 103 VAL C C 13 172.004 0.2 . 1 . . . . . 217 V C . 52595 1 1214 . 1 . 1 103 103 VAL CA C 13 59.470 0.2 . 1 . . . . . 217 V CA . 52595 1 1215 . 1 . 1 103 103 VAL CB C 13 37.034 0.2 . 1 . . . . . 217 V CB . 52595 1 1216 . 1 . 1 103 103 VAL CG1 C 13 19.415 0.2 . 1 . . . . . 217 V CG1 . 52595 1 1217 . 1 . 1 103 103 VAL CG2 C 13 20.530 0.2 . 1 . . . . . 217 V CG2 . 52595 1 1218 . 1 . 1 103 103 VAL N N 15 118.940 0.2 . 1 . . . . . 217 V N . 52595 1 1219 . 1 . 1 104 104 ILE H H 1 8.510 0.02 . 1 . . . . . 218 I H . 52595 1 1220 . 1 . 1 104 104 ILE HA H 1 4.838 0.02 . 1 . . . . . 218 I HA . 52595 1 1221 . 1 . 1 104 104 ILE HB H 1 1.393 0.02 . 1 . . . . . 218 I HB . 52595 1 1222 . 1 . 1 104 104 ILE HG12 H 1 1.544 0.02 . 2 . . . . . 218 I HG12 . 52595 1 1223 . 1 . 1 104 104 ILE HG13 H 1 0.986 0.02 . 2 . . . . . 218 I HG13 . 52595 1 1224 . 1 . 1 104 104 ILE HG21 H 1 0.803 0.02 . 9 . . . . . 218 I HG21 . 52595 1 1225 . 1 . 1 104 104 ILE HG22 H 1 0.803 0.02 . 1 . . . . . 218 I HG22 . 52595 1 1226 . 1 . 1 104 104 ILE HG23 H 1 0.803 0.02 . 1 . . . . . 218 I HG23 . 52595 1 1227 . 1 . 1 104 104 ILE HD11 H 1 0.614 0.02 . 9 . . . . . 218 I HD11 . 52595 1 1228 . 1 . 1 104 104 ILE HD12 H 1 0.614 0.02 . 1 . . . . . 218 I HD12 . 52595 1 1229 . 1 . 1 104 104 ILE HD13 H 1 0.614 0.02 . 1 . . . . . 218 I HD13 . 52595 1 1230 . 1 . 1 104 104 ILE C C 13 174.519 0.2 . 1 . . . . . 218 I C . 52595 1 1231 . 1 . 1 104 104 ILE CA C 13 60.928 0.2 . 1 . . . . . 218 I CA . 52595 1 1232 . 1 . 1 104 104 ILE CB C 13 40.211 0.2 . 1 . . . . . 218 I CB . 52595 1 1233 . 1 . 1 104 104 ILE CG1 C 13 28.052 0.2 . 1 . . . . . 218 I CG1 . 52595 1 1234 . 1 . 1 104 104 ILE CG2 C 13 16.953 0.2 . 1 . . . . . 218 I CG2 . 52595 1 1235 . 1 . 1 104 104 ILE CD1 C 13 13.755 0.2 . 1 . . . . . 218 I CD1 . 52595 1 1236 . 1 . 1 104 104 ILE N N 15 125.809 0.2 . 1 . . . . . 218 I N . 52595 1 1237 . 1 . 1 105 105 ARG H H 1 8.728 0.02 . 1 . . . . . 219 R H . 52595 1 1238 . 1 . 1 105 105 ARG HA H 1 4.125 0.02 . 1 . . . . . 219 R HA . 52595 1 1239 . 1 . 1 105 105 ARG HB2 H 1 1.710 0.02 . 2 . . . . . 219 R HB2 . 52595 1 1240 . 1 . 1 105 105 ARG HB3 H 1 1.829 0.02 . 2 . . . . . 219 R HB3 . 52595 1 1241 . 1 . 1 105 105 ARG HG2 H 1 1.529 0.02 . 2 . . . . . 219 R HG2 . 52595 1 1242 . 1 . 1 105 105 ARG HG3 H 1 1.562 0.02 . 2 . . . . . 219 R HG3 . 52595 1 1243 . 1 . 1 105 105 ARG HD2 H 1 3.121 0.02 . 2 . . . . . 219 R HD2 . 52595 1 1244 . 1 . 1 105 105 ARG HD3 H 1 3.121 0.02 . 2 . . . . . 219 R HD3 . 52595 1 1245 . 1 . 1 105 105 ARG C C 13 180.816 0.2 . 1 . . . . . 219 R C . 52595 1 1246 . 1 . 1 105 105 ARG CA C 13 57.349 0.2 . 1 . . . . . 219 R CA . 52595 1 1247 . 1 . 1 105 105 ARG CB C 13 31.488 0.2 . 1 . . . . . 219 R CB . 52595 1 1248 . 1 . 1 105 105 ARG CG C 13 28.470 0.2 . 1 . . . . . 219 R CG . 52595 1 1249 . 1 . 1 105 105 ARG CD C 13 43.611 0.2 . 1 . . . . . 219 R CD . 52595 1 1250 . 1 . 1 105 105 ARG N N 15 131.794 0.2 . 1 . . . . . 219 R N . 52595 1 stop_ save_