data_53446 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53446 _Entry.Title ; Hexim1 central region BR-L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-11-24 _Entry.Accession_date 2025-11-24 _Entry.Last_release_date 2025-11-24 _Entry.Original_release_date 2025-11-24 _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 Yuan Yang . . . 0000-0002-9538-6369 53446 2 Juli Feigon . . . 0000-0003-3376-435X 53446 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53446 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 298 53446 '15N chemical shifts' 70 53446 '1H chemical shifts' 478 53446 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 . . 2025-12-16 . original BMRB . 53446 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53441 'HEXIM1 central region BR-L-AR protein assignments' 53446 BMRB 53442 '7SK Site1 RNA bound HEXIM1 central region BR-L-AR protein assignments' 53446 BMRB 53443 '7SK Site1 RNA SL1-dI' 53446 BMRB 53444 '7SK Site1 RNA SL1-dI' 53446 BMRB 53445 '7SK Site1 RNA SL1-dI-deltaU' 53446 BMRB 53447 'Hexim1 RNA-binding motif basic region BR' 53446 BMRB 53448 '7SK Site4 SL1-dII RNA' 53446 BMRB 53449 '7SK Sites1,4 SL1-d RNA' 53446 BMRB 53450 '7SK Sites2,4 SL1-dIIm RNA' 53446 BMRB 53451 '7SK Site5 SL1-p RNA' 53446 BMRB 53452 '7SK Sites2,5 SL1-mp RNA' 53446 BMRB 53453 '7SK SL1-pII RNA' 53446 BMRB 53454 '7SK SL1alt-UUCG RNA' 53446 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53446 _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 ; HEXIM1 inter-monomer autoinhibition governs 7SK RNA binding specificity and P-TEFb inactivation ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Comm.' _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 2025 _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 Yuan Yang . . . . 53446 1 2 Maria Murrali . G. . . 53446 1 3 Sabrina Galvan . . . . 53446 1 4 Yaqiang Wang . . . . 53446 1 5 Christine Stephen . . . . 53446 1 6 Neha Ajjampore . . . . 53446 1 7 Xiaoyu Wang . . . . 53446 1 8 Juli Feigon . . . . 53446 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Hexim1, RNA-binding protein, IDP, 7SK RNP, P-TEFb, Pol II pause release' 53446 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53446 _Assembly.ID 1 _Assembly.Name 'Hexim1 BR-L' _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 . _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 'Hexim1 BR-L' 1 $entity_1 . . yes native no no . . . 53446 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Hexim1 BR-L is the central monomeric region of the homodimeric Hexim1 protein, consisting of the RNA binding motif (BR, basic region) and the linker alpha helix (L). ; 53446 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53446 _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 ; GGGEEEWGQQQRQLGKKKHR RRPSKKKRHWKPYYKLTWEE KKKFDEKQSLRASRIRAEMF AKGQPVAPYNTTQFL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 135, G 136, G ; _Entity.Polymer_author_seq_details ; Amino acids 136 through 209 from human Hexim1. A non-native glycine remains at the N-terminus of the final BR-L after TEV protease cleavage. ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 NCBI NP_006451.1 . Hexim1 . . . . . . . . . . . . . . 53446 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Hexim1 is a dynamic protein component of 7SK ribonucleoprotein complex (RNP), and it inhibits the kinase activity of positive transcription elongation factor b (P-TEFb) by sequestering P-TEFb in 7SK RNP by simultaneously binding 7SK RNA and the two subunits of P-TEFb (Cdk9 and CycT1). 7SK RNA binding is a prerequisite for Hexim1 to become a P-TEFb inhibitor. ; 53446 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 1 135 GLY . 53446 1 2 136 GLY . 53446 1 3 137 GLY . 53446 1 4 138 GLU . 53446 1 5 139 GLU . 53446 1 6 140 GLU . 53446 1 7 141 TRP . 53446 1 8 142 GLY . 53446 1 9 143 GLN . 53446 1 10 144 GLN . 53446 1 11 145 GLN . 53446 1 12 146 ARG . 53446 1 13 147 GLN . 53446 1 14 148 LEU . 53446 1 15 149 GLY . 53446 1 16 150 LYS . 53446 1 17 151 LYS . 53446 1 18 152 LYS . 53446 1 19 153 HIS . 53446 1 20 154 ARG . 53446 1 21 155 ARG . 53446 1 22 156 ARG . 53446 1 23 157 PRO . 53446 1 24 158 SER . 53446 1 25 159 LYS . 53446 1 26 160 LYS . 53446 1 27 161 LYS . 53446 1 28 162 ARG . 53446 1 29 163 HIS . 53446 1 30 164 TRP . 53446 1 31 165 LYS . 53446 1 32 166 PRO . 53446 1 33 167 TYR . 53446 1 34 168 TYR . 53446 1 35 169 LYS . 53446 1 36 170 LEU . 53446 1 37 171 THR . 53446 1 38 172 TRP . 53446 1 39 173 GLU . 53446 1 40 174 GLU . 53446 1 41 175 LYS . 53446 1 42 176 LYS . 53446 1 43 177 LYS . 53446 1 44 178 PHE . 53446 1 45 179 ASP . 53446 1 46 180 GLU . 53446 1 47 181 LYS . 53446 1 48 182 GLN . 53446 1 49 183 SER . 53446 1 50 184 LEU . 53446 1 51 185 ARG . 53446 1 52 186 ALA . 53446 1 53 187 SER . 53446 1 54 188 ARG . 53446 1 55 189 ILE . 53446 1 56 190 ARG . 53446 1 57 191 ALA . 53446 1 58 192 GLU . 53446 1 59 193 MET . 53446 1 60 194 PHE . 53446 1 61 195 ALA . 53446 1 62 196 LYS . 53446 1 63 197 GLY . 53446 1 64 198 GLN . 53446 1 65 199 PRO . 53446 1 66 200 VAL . 53446 1 67 201 ALA . 53446 1 68 202 PRO . 53446 1 69 203 TYR . 53446 1 70 204 ASN . 53446 1 71 205 THR . 53446 1 72 206 THR . 53446 1 73 207 GLN . 53446 1 74 208 PHE . 53446 1 75 209 LEU . 53446 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 53446 1 . GLY 2 2 53446 1 . GLY 3 3 53446 1 . GLU 4 4 53446 1 . GLU 5 5 53446 1 . GLU 6 6 53446 1 . TRP 7 7 53446 1 . GLY 8 8 53446 1 . GLN 9 9 53446 1 . GLN 10 10 53446 1 . GLN 11 11 53446 1 . ARG 12 12 53446 1 . GLN 13 13 53446 1 . LEU 14 14 53446 1 . GLY 15 15 53446 1 . LYS 16 16 53446 1 . LYS 17 17 53446 1 . LYS 18 18 53446 1 . HIS 19 19 53446 1 . ARG 20 20 53446 1 . ARG 21 21 53446 1 . ARG 22 22 53446 1 . PRO 23 23 53446 1 . SER 24 24 53446 1 . LYS 25 25 53446 1 . LYS 26 26 53446 1 . LYS 27 27 53446 1 . ARG 28 28 53446 1 . HIS 29 29 53446 1 . TRP 30 30 53446 1 . LYS 31 31 53446 1 . PRO 32 32 53446 1 . TYR 33 33 53446 1 . TYR 34 34 53446 1 . LYS 35 35 53446 1 . LEU 36 36 53446 1 . THR 37 37 53446 1 . TRP 38 38 53446 1 . GLU 39 39 53446 1 . GLU 40 40 53446 1 . LYS 41 41 53446 1 . LYS 42 42 53446 1 . LYS 43 43 53446 1 . PHE 44 44 53446 1 . ASP 45 45 53446 1 . GLU 46 46 53446 1 . LYS 47 47 53446 1 . GLN 48 48 53446 1 . SER 49 49 53446 1 . LEU 50 50 53446 1 . ARG 51 51 53446 1 . ALA 52 52 53446 1 . SER 53 53 53446 1 . ARG 54 54 53446 1 . ILE 55 55 53446 1 . ARG 56 56 53446 1 . ALA 57 57 53446 1 . GLU 58 58 53446 1 . MET 59 59 53446 1 . PHE 60 60 53446 1 . ALA 61 61 53446 1 . LYS 62 62 53446 1 . GLY 63 63 53446 1 . GLN 64 64 53446 1 . PRO 65 65 53446 1 . VAL 66 66 53446 1 . ALA 67 67 53446 1 . PRO 68 68 53446 1 . TYR 69 69 53446 1 . ASN 70 70 53446 1 . THR 71 71 53446 1 . THR 72 72 53446 1 . GLN 73 73 53446 1 . PHE 74 74 53446 1 . LEU 75 75 53446 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 53446 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53446 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 53446 _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-GOLD(DE3) . . plasmid . . pETDuet-1 . . . 53446 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53446 _Sample.ID 1 _Sample.Name 'Hexim1 BR-L' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53446 1 2 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 53446 1 3 D2O 'natural abundance' . . . . . . 5 . . '% v/v' . . . . 53446 1 4 'Hexim1 BR-L' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.55 . . mM . . . . 53446 1 5 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53446 1 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 53446 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Hexim1 BR-L sample conditions 25C' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 53446 1 pH 6.2 . pH 53446 1 pressure 1 . atm 53446 1 temperature 298.15 . K 53446 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53446 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53446 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53446 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53446 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53446 _Software.ID 3 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53446 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53446 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53446 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 53446 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance III HD 600MHz spectrometer equipped with QCI HCNP cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53446 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Avance Neo 800MHz spectrometer equipped with TCI H&F cryoprobe' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53446 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53446 1 2 '3D H(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53446 1 3 '3D HCCH-COSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53446 1 4 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53446 1 5 '3D 1H-13C NOESY aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53446 1 6 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53446 1 7 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53446 1 8 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53446 1 9 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53446 1 10 '3D C(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53446 1 11 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53446 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 53446 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Water reference' _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 H2O protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53446 1 H 1 H2O protons . . . . ppm 4.867 internal direct 1.000000000 . . . . . 53446 1 N 15 H2O protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53446 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 53446 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Hexim1 BR-L 25 degree Celsius' _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' . . . 53446 1 2 '3D H(CCO)NH' . . . 53446 1 3 '3D HCCH-COSY' . . . 53446 1 4 '3D 1H-15N NOESY' . . . 53446 1 5 '3D 1H-13C NOESY aliphatic' . . . 53446 1 6 '3D CBCA(CO)NH' . . . 53446 1 7 '3D HNCO' . . . 53446 1 8 '3D HCCH-TOCSY' . . . 53446 1 9 '3D HNCACB' . . . 53446 1 10 '3D C(CO)NH' . . . 53446 1 11 '2D 1H-15N HSQC' . . . 53446 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 4 $software_4 . . 53446 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 1 1 GLY HA2 H 1 3.896 0.00 . 2 . . . . . 135 GLY QA . 53446 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.896 0.00 . 2 . . . . . 135 GLY QA . 53446 1 3 . 1 . 1 1 1 GLY CA C 13 43.565 0.07 . 1 . . . . . 135 GLY CA . 53446 1 4 . 1 . 1 2 2 GLY H H 1 8.708 0.00 . 1 . . . . . 136 GLY H . 53446 1 5 . 1 . 1 2 2 GLY HA2 H 1 4.047 0.00 . 2 . . . . . 136 GLY QA . 53446 1 6 . 1 . 1 2 2 GLY HA3 H 1 4.047 0.00 . 2 . . . . . 136 GLY QA . 53446 1 7 . 1 . 1 2 2 GLY C C 13 174.727 0.00 . 1 . . . . . 136 GLY C . 53446 1 8 . 1 . 1 2 2 GLY CA C 13 45.439 0.06 . 1 . . . . . 136 GLY CA . 53446 1 9 . 1 . 1 2 2 GLY N N 15 109.078 0.02 . 1 . . . . . 136 GLY N . 53446 1 10 . 1 . 1 3 3 GLY H H 1 8.518 0.00 . 1 . . . . . 137 GLY H . 53446 1 11 . 1 . 1 3 3 GLY HA2 H 1 3.977 0.01 . 2 . . . . . 137 GLY QA . 53446 1 12 . 1 . 1 3 3 GLY HA3 H 1 3.977 0.01 . 2 . . . . . 137 GLY QA . 53446 1 13 . 1 . 1 3 3 GLY C C 13 174.593 0.00 . 1 . . . . . 137 GLY C . 53446 1 14 . 1 . 1 3 3 GLY CA C 13 45.393 0.06 . 1 . . . . . 137 GLY CA . 53446 1 15 . 1 . 1 3 3 GLY N N 15 109.469 0.04 . 1 . . . . . 137 GLY N . 53446 1 16 . 1 . 1 4 4 GLU H H 1 8.441 0.01 . 1 . . . . . 138 GLU H . 53446 1 17 . 1 . 1 4 4 GLU HA H 1 4.117 0.01 . 1 . . . . . 138 GLU HA . 53446 1 18 . 1 . 1 4 4 GLU HB2 H 1 1.929 0.01 . 2 . . . . . 138 GLU QB . 53446 1 19 . 1 . 1 4 4 GLU HB3 H 1 1.929 0.01 . 2 . . . . . 138 GLU QB . 53446 1 20 . 1 . 1 4 4 GLU HG2 H 1 2.224 0.01 . 2 . . . . . 138 GLU QG . 53446 1 21 . 1 . 1 4 4 GLU HG3 H 1 2.224 0.01 . 2 . . . . . 138 GLU QG . 53446 1 22 . 1 . 1 4 4 GLU C C 13 177.073 0.00 . 1 . . . . . 138 GLU C . 53446 1 23 . 1 . 1 4 4 GLU CA C 13 57.235 0.07 . 1 . . . . . 138 GLU CA . 53446 1 24 . 1 . 1 4 4 GLU CB C 13 29.917 0.05 . 1 . . . . . 138 GLU CB . 53446 1 25 . 1 . 1 4 4 GLU CG C 13 36.343 0.02 . 1 . . . . . 138 GLU CG . 53446 1 26 . 1 . 1 4 4 GLU N N 15 120.678 0.03 . 1 . . . . . 138 GLU N . 53446 1 27 . 1 . 1 5 5 GLU H H 1 8.553 0.01 . 1 . . . . . 139 GLU H . 53446 1 28 . 1 . 1 5 5 GLU HA H 1 4.202 0.02 . 1 . . . . . 139 GLU HA . 53446 1 29 . 1 . 1 5 5 GLU HB2 H 1 1.896 0.01 . 2 . . . . . 139 GLU QB . 53446 1 30 . 1 . 1 5 5 GLU HB3 H 1 1.896 0.01 . 2 . . . . . 139 GLU QB . 53446 1 31 . 1 . 1 5 5 GLU HG2 H 1 2.233 0.00 . 2 . . . . . 139 GLU QG . 53446 1 32 . 1 . 1 5 5 GLU HG3 H 1 2.233 0.00 . 2 . . . . . 139 GLU QG . 53446 1 33 . 1 . 1 5 5 GLU C C 13 176.883 0.00 . 1 . . . . . 139 GLU C . 53446 1 34 . 1 . 1 5 5 GLU CA C 13 57.183 0.11 . 1 . . . . . 139 GLU CA . 53446 1 35 . 1 . 1 5 5 GLU CB C 13 29.864 0.05 . 1 . . . . . 139 GLU CB . 53446 1 36 . 1 . 1 5 5 GLU CG C 13 36.362 0.00 . 1 . . . . . 139 GLU CG . 53446 1 37 . 1 . 1 5 5 GLU N N 15 121.055 0.03 . 1 . . . . . 139 GLU N . 53446 1 38 . 1 . 1 6 6 GLU H H 1 8.250 0.00 . 1 . . . . . 140 GLU H . 53446 1 39 . 1 . 1 6 6 GLU HA H 1 4.191 0.01 . 1 . . . . . 140 GLU HA . 53446 1 40 . 1 . 1 6 6 GLU HB2 H 1 1.920 0.02 . 2 . . . . . 140 GLU QB . 53446 1 41 . 1 . 1 6 6 GLU HB3 H 1 1.920 0.02 . 2 . . . . . 140 GLU QB . 53446 1 42 . 1 . 1 6 6 GLU HG2 H 1 2.147 0.01 . 2 . . . . . 140 GLU QG . 53446 1 43 . 1 . 1 6 6 GLU HG3 H 1 2.147 0.01 . 2 . . . . . 140 GLU QG . 53446 1 44 . 1 . 1 6 6 GLU C C 13 176.728 0.00 . 1 . . . . . 140 GLU C . 53446 1 45 . 1 . 1 6 6 GLU CA C 13 57.111 0.06 . 1 . . . . . 140 GLU CA . 53446 1 46 . 1 . 1 6 6 GLU CB C 13 29.982 0.03 . 1 . . . . . 140 GLU CB . 53446 1 47 . 1 . 1 6 6 GLU CG C 13 36.311 0.00 . 1 . . . . . 140 GLU CG . 53446 1 48 . 1 . 1 6 6 GLU N N 15 121.276 0.02 . 1 . . . . . 140 GLU N . 53446 1 49 . 1 . 1 7 7 TRP H H 1 8.137 0.00 . 1 . . . . . 141 TRP H . 53446 1 50 . 1 . 1 7 7 TRP HA H 1 4.634 0.01 . 1 . . . . . 141 TRP HA . 53446 1 51 . 1 . 1 7 7 TRP HB2 H 1 3.316 0.00 . 1 . . . . . 141 TRP HB2 . 53446 1 52 . 1 . 1 7 7 TRP HB3 H 1 3.285 0.01 . 1 . . . . . 141 TRP HB3 . 53446 1 53 . 1 . 1 7 7 TRP C C 13 177.306 0.00 . 1 . . . . . 141 TRP C . 53446 1 54 . 1 . 1 7 7 TRP CA C 13 57.824 0.10 . 1 . . . . . 141 TRP CA . 53446 1 55 . 1 . 1 7 7 TRP CB C 13 29.522 0.05 . 1 . . . . . 141 TRP CB . 53446 1 56 . 1 . 1 7 7 TRP N N 15 121.468 0.04 . 1 . . . . . 141 TRP N . 53446 1 57 . 1 . 1 8 8 GLY H H 1 8.300 0.00 . 1 . . . . . 142 GLY H . 53446 1 58 . 1 . 1 8 8 GLY HA2 H 1 3.895 0.00 . 1 . . . . . 142 GLY HA2 . 53446 1 59 . 1 . 1 8 8 GLY HA3 H 1 3.856 0.00 . 1 . . . . . 142 GLY HA3 . 53446 1 60 . 1 . 1 8 8 GLY C C 13 174.760 0.00 . 1 . . . . . 142 GLY C . 53446 1 61 . 1 . 1 8 8 GLY CA C 13 45.807 0.10 . 1 . . . . . 142 GLY CA . 53446 1 62 . 1 . 1 8 8 GLY N N 15 109.547 0.02 . 1 . . . . . 142 GLY N . 53446 1 63 . 1 . 1 9 9 GLN H H 1 8.147 0.01 . 1 . . . . . 143 GLN H . 53446 1 64 . 1 . 1 9 9 GLN HA H 1 4.221 0.00 . 1 . . . . . 143 GLN HA . 53446 1 65 . 1 . 1 9 9 GLN HB2 H 1 2.056 0.00 . 2 . . . . . 143 GLN QB . 53446 1 66 . 1 . 1 9 9 GLN HB3 H 1 2.056 0.00 . 2 . . . . . 143 GLN QB . 53446 1 67 . 1 . 1 9 9 GLN HG2 H 1 2.364 0.00 . 2 . . . . . 143 GLN QG . 53446 1 68 . 1 . 1 9 9 GLN HG3 H 1 2.364 0.00 . 2 . . . . . 143 GLN QG . 53446 1 69 . 1 . 1 9 9 GLN C C 13 176.821 0.00 . 1 . . . . . 143 GLN C . 53446 1 70 . 1 . 1 9 9 GLN CA C 13 56.772 0.04 . 1 . . . . . 143 GLN CA . 53446 1 71 . 1 . 1 9 9 GLN CB C 13 29.031 0.04 . 1 . . . . . 143 GLN CB . 53446 1 72 . 1 . 1 9 9 GLN CG C 13 33.829 0.00 . 1 . . . . . 143 GLN CG . 53446 1 73 . 1 . 1 9 9 GLN N N 15 119.719 0.03 . 1 . . . . . 143 GLN N . 53446 1 74 . 1 . 1 10 10 GLN H H 1 8.365 0.00 . 1 . . . . . 144 GLN H . 53446 1 75 . 1 . 1 10 10 GLN HA H 1 4.225 0.00 . 1 . . . . . 144 GLN HA . 53446 1 76 . 1 . 1 10 10 GLN HB2 H 1 2.039 0.01 . 2 . . . . . 144 GLN QB . 53446 1 77 . 1 . 1 10 10 GLN HB3 H 1 2.039 0.01 . 2 . . . . . 144 GLN QB . 53446 1 78 . 1 . 1 10 10 GLN HG2 H 1 2.358 0.01 . 2 . . . . . 144 GLN QG . 53446 1 79 . 1 . 1 10 10 GLN HG3 H 1 2.358 0.01 . 2 . . . . . 144 GLN QG . 53446 1 80 . 1 . 1 10 10 GLN C C 13 176.678 0.00 . 1 . . . . . 144 GLN C . 53446 1 81 . 1 . 1 10 10 GLN CA C 13 56.844 0.02 . 1 . . . . . 144 GLN CA . 53446 1 82 . 1 . 1 10 10 GLN CB C 13 28.974 0.02 . 1 . . . . . 144 GLN CB . 53446 1 83 . 1 . 1 10 10 GLN CG C 13 33.900 0.06 . 1 . . . . . 144 GLN CG . 53446 1 84 . 1 . 1 10 10 GLN N N 15 119.980 0.02 . 1 . . . . . 144 GLN N . 53446 1 85 . 1 . 1 11 11 GLN H H 1 8.270 0.00 . 1 . . . . . 145 GLN H . 53446 1 86 . 1 . 1 11 11 GLN HA H 1 4.206 0.01 . 1 . . . . . 145 GLN HA . 53446 1 87 . 1 . 1 11 11 GLN HB2 H 1 1.973 0.02 . 2 . . . . . 145 GLN QB . 53446 1 88 . 1 . 1 11 11 GLN HB3 H 1 1.973 0.02 . 2 . . . . . 145 GLN QB . 53446 1 89 . 1 . 1 11 11 GLN HG2 H 1 2.255 0.01 . 2 . . . . . 145 GLN QG . 53446 1 90 . 1 . 1 11 11 GLN HG3 H 1 2.255 0.01 . 2 . . . . . 145 GLN QG . 53446 1 91 . 1 . 1 11 11 GLN C C 13 176.624 0.00 . 1 . . . . . 145 GLN C . 53446 1 92 . 1 . 1 11 11 GLN CA C 13 56.668 0.14 . 1 . . . . . 145 GLN CA . 53446 1 93 . 1 . 1 11 11 GLN CB C 13 29.015 0.11 . 1 . . . . . 145 GLN CB . 53446 1 94 . 1 . 1 11 11 GLN CG C 13 33.768 0.04 . 1 . . . . . 145 GLN CG . 53446 1 95 . 1 . 1 11 11 GLN N N 15 120.060 0.08 . 1 . . . . . 145 GLN N . 53446 1 96 . 1 . 1 12 12 ARG H H 1 8.178 0.00 . 1 . . . . . 146 ARG H . 53446 1 97 . 1 . 1 12 12 ARG HA H 1 4.227 0.00 . 1 . . . . . 146 ARG HA . 53446 1 98 . 1 . 1 12 12 ARG HB2 H 1 1.781 0.00 . 2 . . . . . 146 ARG QB . 53446 1 99 . 1 . 1 12 12 ARG HB3 H 1 1.781 0.00 . 2 . . . . . 146 ARG QB . 53446 1 100 . 1 . 1 12 12 ARG HG2 H 1 1.596 0.01 . 2 . . . . . 146 ARG QG . 53446 1 101 . 1 . 1 12 12 ARG HG3 H 1 1.596 0.01 . 2 . . . . . 146 ARG QG . 53446 1 102 . 1 . 1 12 12 ARG HD2 H 1 3.134 0.00 . 2 . . . . . 146 ARG QD . 53446 1 103 . 1 . 1 12 12 ARG HD3 H 1 3.134 0.00 . 2 . . . . . 146 ARG QD . 53446 1 104 . 1 . 1 12 12 ARG C C 13 176.630 0.00 . 1 . . . . . 146 ARG C . 53446 1 105 . 1 . 1 12 12 ARG CA C 13 56.864 0.03 . 1 . . . . . 146 ARG CA . 53446 1 106 . 1 . 1 12 12 ARG CB C 13 30.660 0.06 . 1 . . . . . 146 ARG CB . 53446 1 107 . 1 . 1 12 12 ARG CG C 13 27.352 0.00 . 1 . . . . . 146 ARG CG . 53446 1 108 . 1 . 1 12 12 ARG CD C 13 43.427 0.02 . 1 . . . . . 146 ARG CD . 53446 1 109 . 1 . 1 12 12 ARG N N 15 121.030 0.06 . 1 . . . . . 146 ARG N . 53446 1 110 . 1 . 1 13 13 GLN H H 1 8.267 0.00 . 1 . . . . . 147 GLN H . 53446 1 111 . 1 . 1 13 13 GLN HA H 1 4.292 0.00 . 1 . . . . . 147 GLN HA . 53446 1 112 . 1 . 1 13 13 GLN HB2 H 1 2.095 0.00 . 1 . . . . . 147 GLN HB2 . 53446 1 113 . 1 . 1 13 13 GLN HB3 H 1 2.007 0.00 . 1 . . . . . 147 GLN HB3 . 53446 1 114 . 1 . 1 13 13 GLN HG2 H 1 2.362 0.01 . 2 . . . . . 147 GLN QG . 53446 1 115 . 1 . 1 13 13 GLN HG3 H 1 2.362 0.01 . 2 . . . . . 147 GLN QG . 53446 1 116 . 1 . 1 13 13 GLN C C 13 176.212 0.00 . 1 . . . . . 147 GLN C . 53446 1 117 . 1 . 1 13 13 GLN CA C 13 56.146 0.04 . 1 . . . . . 147 GLN CA . 53446 1 118 . 1 . 1 13 13 GLN CB C 13 29.202 0.11 . 1 . . . . . 147 GLN CB . 53446 1 119 . 1 . 1 13 13 GLN CG C 13 33.823 0.03 . 1 . . . . . 147 GLN CG . 53446 1 120 . 1 . 1 13 13 GLN N N 15 120.319 0.08 . 1 . . . . . 147 GLN N . 53446 1 121 . 1 . 1 14 14 LEU H H 1 8.175 0.00 . 1 . . . . . 148 LEU H . 53446 1 122 . 1 . 1 14 14 LEU HA H 1 4.303 0.01 . 1 . . . . . 148 LEU HA . 53446 1 123 . 1 . 1 14 14 LEU HB2 H 1 1.651 0.02 . 2 . . . . . 148 LEU QB . 53446 1 124 . 1 . 1 14 14 LEU HB3 H 1 1.651 0.02 . 2 . . . . . 148 LEU QB . 53446 1 125 . 1 . 1 14 14 LEU HG H 1 1.659 0.02 . 1 . . . . . 148 LEU HG . 53446 1 126 . 1 . 1 14 14 LEU HD11 H 1 0.904 0.01 . 2 . . . . . 148 LEU QD1 . 53446 1 127 . 1 . 1 14 14 LEU HD12 H 1 0.904 0.01 . 2 . . . . . 148 LEU QD1 . 53446 1 128 . 1 . 1 14 14 LEU HD13 H 1 0.904 0.01 . 2 . . . . . 148 LEU QD1 . 53446 1 129 . 1 . 1 14 14 LEU HD21 H 1 0.869 0.02 . 2 . . . . . 148 LEU QD2 . 53446 1 130 . 1 . 1 14 14 LEU HD22 H 1 0.869 0.02 . 2 . . . . . 148 LEU QD2 . 53446 1 131 . 1 . 1 14 14 LEU HD23 H 1 0.869 0.02 . 2 . . . . . 148 LEU QD2 . 53446 1 132 . 1 . 1 14 14 LEU C C 13 178.048 0.00 . 1 . . . . . 148 LEU C . 53446 1 133 . 1 . 1 14 14 LEU CA C 13 55.673 0.07 . 1 . . . . . 148 LEU CA . 53446 1 134 . 1 . 1 14 14 LEU CB C 13 42.307 0.07 . 1 . . . . . 148 LEU CB . 53446 1 135 . 1 . 1 14 14 LEU CG C 13 27.049 0.04 . 1 . . . . . 148 LEU CG . 53446 1 136 . 1 . 1 14 14 LEU CD1 C 13 24.874 0.08 . 1 . . . . . 148 LEU CD1 . 53446 1 137 . 1 . 1 14 14 LEU CD2 C 13 23.469 0.11 . 1 . . . . . 148 LEU CD2 . 53446 1 138 . 1 . 1 14 14 LEU N N 15 122.750 0.02 . 1 . . . . . 148 LEU N . 53446 1 139 . 1 . 1 15 15 GLY H H 1 8.340 0.01 . 1 . . . . . 149 GLY H . 53446 1 140 . 1 . 1 15 15 GLY HA2 H 1 3.942 0.00 . 2 . . . . . 149 GLY QA . 53446 1 141 . 1 . 1 15 15 GLY HA3 H 1 3.942 0.00 . 2 . . . . . 149 GLY QA . 53446 1 142 . 1 . 1 15 15 GLY C C 13 174.237 0.00 . 1 . . . . . 149 GLY C . 53446 1 143 . 1 . 1 15 15 GLY CA C 13 45.436 0.05 . 1 . . . . . 149 GLY CA . 53446 1 144 . 1 . 1 15 15 GLY N N 15 109.089 0.02 . 1 . . . . . 149 GLY N . 53446 1 145 . 1 . 1 16 16 LYS H H 1 8.081 0.00 . 1 . . . . . 150 LYS H . 53446 1 146 . 1 . 1 16 16 LYS HA H 1 4.286 0.00 . 1 . . . . . 150 LYS HA . 53446 1 147 . 1 . 1 16 16 LYS HB2 H 1 1.790 0.00 . 2 . . . . . 150 LYS QB . 53446 1 148 . 1 . 1 16 16 LYS HB3 H 1 1.790 0.00 . 2 . . . . . 150 LYS QB . 53446 1 149 . 1 . 1 16 16 LYS HG2 H 1 1.411 0.00 . 2 . . . . . 150 LYS QG . 53446 1 150 . 1 . 1 16 16 LYS HG3 H 1 1.411 0.00 . 2 . . . . . 150 LYS QG . 53446 1 151 . 1 . 1 16 16 LYS HD2 H 1 1.677 0.00 . 2 . . . . . 150 LYS QD . 53446 1 152 . 1 . 1 16 16 LYS HD3 H 1 1.677 0.00 . 2 . . . . . 150 LYS QD . 53446 1 153 . 1 . 1 16 16 LYS HE2 H 1 2.984 0.00 . 2 . . . . . 150 LYS QE . 53446 1 154 . 1 . 1 16 16 LYS HE3 H 1 2.984 0.00 . 2 . . . . . 150 LYS QE . 53446 1 155 . 1 . 1 16 16 LYS CA C 13 56.412 0.03 . 1 . . . . . 150 LYS CA . 53446 1 156 . 1 . 1 16 16 LYS CB C 13 33.084 0.04 . 1 . . . . . 150 LYS CB . 53446 1 157 . 1 . 1 16 16 LYS CG C 13 24.911 0.00 . 1 . . . . . 150 LYS CG . 53446 1 158 . 1 . 1 16 16 LYS CD C 13 29.096 0.00 . 1 . . . . . 150 LYS CD . 53446 1 159 . 1 . 1 16 16 LYS CE C 13 42.179 0.00 . 1 . . . . . 150 LYS CE . 53446 1 160 . 1 . 1 16 16 LYS N N 15 120.652 0.04 . 1 . . . . . 150 LYS N . 53446 1 161 . 1 . 1 17 17 LYS H H 1 8.283 0.00 . 1 . . . . . 151 LYS H . 53446 1 162 . 1 . 1 17 17 LYS HA H 1 4.308 0.00 . 1 . . . . . 151 LYS HA . 53446 1 163 . 1 . 1 17 17 LYS HB2 H 1 1.779 0.01 . 2 . . . . . 151 LYS QB . 53446 1 164 . 1 . 1 17 17 LYS HB3 H 1 1.779 0.01 . 2 . . . . . 151 LYS QB . 53446 1 165 . 1 . 1 17 17 LYS HG2 H 1 1.422 0.01 . 2 . . . . . 151 LYS QG . 53446 1 166 . 1 . 1 17 17 LYS HG3 H 1 1.422 0.01 . 2 . . . . . 151 LYS QG . 53446 1 167 . 1 . 1 17 17 LYS HD2 H 1 1.670 0.00 . 2 . . . . . 151 LYS QD . 53446 1 168 . 1 . 1 17 17 LYS HD3 H 1 1.670 0.00 . 2 . . . . . 151 LYS QD . 53446 1 169 . 1 . 1 17 17 LYS C C 13 176.516 0.00 . 1 . . . . . 151 LYS C . 53446 1 170 . 1 . 1 17 17 LYS CA C 13 56.394 0.00 . 1 . . . . . 151 LYS CA . 53446 1 171 . 1 . 1 17 17 LYS CB C 13 33.053 0.06 . 1 . . . . . 151 LYS CB . 53446 1 172 . 1 . 1 17 17 LYS CG C 13 24.898 0.00 . 1 . . . . . 151 LYS CG . 53446 1 173 . 1 . 1 17 17 LYS CD C 13 29.060 0.05 . 1 . . . . . 151 LYS CD . 53446 1 174 . 1 . 1 17 17 LYS CE C 13 42.112 0.00 . 1 . . . . . 151 LYS CE . 53446 1 175 . 1 . 1 17 17 LYS N N 15 122.473 0.05 . 1 . . . . . 151 LYS N . 53446 1 176 . 1 . 1 18 18 LYS H H 1 8.288 0.00 . 1 . . . . . 152 LYS H . 53446 1 177 . 1 . 1 18 18 LYS HA H 1 4.261 0.01 . 1 . . . . . 152 LYS HA . 53446 1 178 . 1 . 1 18 18 LYS HB2 H 1 1.709 0.01 . 2 . . . . . 152 LYS QB . 53446 1 179 . 1 . 1 18 18 LYS HB3 H 1 1.709 0.01 . 2 . . . . . 152 LYS QB . 53446 1 180 . 1 . 1 18 18 LYS HG2 H 1 1.354 0.02 . 2 . . . . . 152 LYS QG . 53446 1 181 . 1 . 1 18 18 LYS HG3 H 1 1.354 0.02 . 2 . . . . . 152 LYS QG . 53446 1 182 . 1 . 1 18 18 LYS HD2 H 1 1.642 0.01 . 2 . . . . . 152 LYS QD . 53446 1 183 . 1 . 1 18 18 LYS HD3 H 1 1.642 0.01 . 2 . . . . . 152 LYS QD . 53446 1 184 . 1 . 1 18 18 LYS CA C 13 56.316 0.11 . 1 . . . . . 152 LYS CA . 53446 1 185 . 1 . 1 18 18 LYS CB C 13 33.098 0.04 . 1 . . . . . 152 LYS CB . 53446 1 186 . 1 . 1 18 18 LYS CG C 13 24.843 0.01 . 1 . . . . . 152 LYS CG . 53446 1 187 . 1 . 1 18 18 LYS CD C 13 29.105 0.04 . 1 . . . . . 152 LYS CD . 53446 1 188 . 1 . 1 18 18 LYS N N 15 122.598 0.03 . 1 . . . . . 152 LYS N . 53446 1 189 . 1 . 1 19 19 HIS H H 1 8.414 0.00 . 1 . . . . . 153 HIS H . 53446 1 190 . 1 . 1 19 19 HIS HA H 1 4.672 0.00 . 1 . . . . . 153 HIS HA . 53446 1 191 . 1 . 1 19 19 HIS HB2 H 1 3.165 0.00 . 1 . . . . . 153 HIS HB2 . 53446 1 192 . 1 . 1 19 19 HIS HB3 H 1 3.096 0.01 . 1 . . . . . 153 HIS HB3 . 53446 1 193 . 1 . 1 19 19 HIS C C 13 174.910 0.00 . 1 . . . . . 153 HIS C . 53446 1 194 . 1 . 1 19 19 HIS CA C 13 55.771 0.04 . 1 . . . . . 153 HIS CA . 53446 1 195 . 1 . 1 19 19 HIS CB C 13 30.249 0.22 . 1 . . . . . 153 HIS CB . 53446 1 196 . 1 . 1 19 19 HIS N N 15 120.698 0.02 . 1 . . . . . 153 HIS N . 53446 1 197 . 1 . 1 20 20 ARG H H 1 8.528 0.00 . 1 . . . . . 154 ARG H . 53446 1 198 . 1 . 1 20 20 ARG HA H 1 4.310 0.02 . 1 . . . . . 154 ARG HA . 53446 1 199 . 1 . 1 20 20 ARG HB2 H 1 1.769 0.01 . 2 . . . . . 154 ARG QB . 53446 1 200 . 1 . 1 20 20 ARG HB3 H 1 1.769 0.01 . 2 . . . . . 154 ARG QB . 53446 1 201 . 1 . 1 20 20 ARG HG2 H 1 1.618 0.00 . 2 . . . . . 154 ARG QG . 53446 1 202 . 1 . 1 20 20 ARG HG3 H 1 1.618 0.00 . 2 . . . . . 154 ARG QG . 53446 1 203 . 1 . 1 20 20 ARG HD2 H 1 3.184 0.01 . 2 . . . . . 154 ARG QD . 53446 1 204 . 1 . 1 20 20 ARG HD3 H 1 3.184 0.01 . 2 . . . . . 154 ARG QD . 53446 1 205 . 1 . 1 20 20 ARG C C 13 176.044 0.00 . 1 . . . . . 154 ARG C . 53446 1 206 . 1 . 1 20 20 ARG CA C 13 56.052 0.03 . 1 . . . . . 154 ARG CA . 53446 1 207 . 1 . 1 20 20 ARG CB C 13 30.831 0.13 . 1 . . . . . 154 ARG CB . 53446 1 208 . 1 . 1 20 20 ARG CG C 13 27.160 0.00 . 1 . . . . . 154 ARG CG . 53446 1 209 . 1 . 1 20 20 ARG CD C 13 43.433 0.00 . 1 . . . . . 154 ARG CD . 53446 1 210 . 1 . 1 20 20 ARG N N 15 123.386 0.02 . 1 . . . . . 154 ARG N . 53446 1 211 . 1 . 1 21 21 ARG H H 1 8.516 0.00 . 1 . . . . . 155 ARG H . 53446 1 212 . 1 . 1 21 21 ARG HA H 1 4.320 0.01 . 1 . . . . . 155 ARG HA . 53446 1 213 . 1 . 1 21 21 ARG HB2 H 1 1.821 0.01 . 1 . . . . . 155 ARG HB2 . 53446 1 214 . 1 . 1 21 21 ARG HB3 H 1 1.763 0.00 . 1 . . . . . 155 ARG HB3 . 53446 1 215 . 1 . 1 21 21 ARG HG2 H 1 1.624 0.01 . 2 . . . . . 155 ARG QG . 53446 1 216 . 1 . 1 21 21 ARG HG3 H 1 1.624 0.01 . 2 . . . . . 155 ARG QG . 53446 1 217 . 1 . 1 21 21 ARG HD2 H 1 3.183 0.00 . 2 . . . . . 155 ARG QD . 53446 1 218 . 1 . 1 21 21 ARG HD3 H 1 3.183 0.00 . 2 . . . . . 155 ARG QD . 53446 1 219 . 1 . 1 21 21 ARG C C 13 176.050 0.00 . 1 . . . . . 155 ARG C . 53446 1 220 . 1 . 1 21 21 ARG CA C 13 56.031 0.11 . 1 . . . . . 155 ARG CA . 53446 1 221 . 1 . 1 21 21 ARG CB C 13 30.892 0.09 . 1 . . . . . 155 ARG CB . 53446 1 222 . 1 . 1 21 21 ARG CG C 13 27.195 0.07 . 1 . . . . . 155 ARG CG . 53446 1 223 . 1 . 1 21 21 ARG CD C 13 43.349 0.03 . 1 . . . . . 155 ARG CD . 53446 1 224 . 1 . 1 21 21 ARG N N 15 123.212 0.04 . 1 . . . . . 155 ARG N . 53446 1 225 . 1 . 1 22 22 ARG H H 1 8.500 0.00 . 1 . . . . . 156 ARG H . 53446 1 226 . 1 . 1 22 22 ARG HA H 1 4.589 0.00 . 1 . . . . . 156 ARG HA . 53446 1 227 . 1 . 1 22 22 ARG HB2 H 1 1.838 0.00 . 1 . . . . . 156 ARG HB2 . 53446 1 228 . 1 . 1 22 22 ARG HB3 H 1 1.731 0.00 . 1 . . . . . 156 ARG HB3 . 53446 1 229 . 1 . 1 22 22 ARG HG2 H 1 1.697 0.02 . 2 . . . . . 156 ARG QG . 53446 1 230 . 1 . 1 22 22 ARG HG3 H 1 1.697 0.02 . 2 . . . . . 156 ARG QG . 53446 1 231 . 1 . 1 22 22 ARG HD2 H 1 3.192 0.00 . 2 . . . . . 156 ARG QD . 53446 1 232 . 1 . 1 22 22 ARG HD3 H 1 3.192 0.00 . 2 . . . . . 156 ARG QD . 53446 1 233 . 1 . 1 22 22 ARG CA C 13 54.057 0.06 . 1 . . . . . 156 ARG CA . 53446 1 234 . 1 . 1 22 22 ARG CB C 13 30.248 0.04 . 1 . . . . . 156 ARG CB . 53446 1 235 . 1 . 1 22 22 ARG N N 15 124.306 0.01 . 1 . . . . . 156 ARG N . 53446 1 236 . 1 . 1 23 23 PRO HA H 1 4.444 0.00 . 1 . . . . . 157 PRO HA . 53446 1 237 . 1 . 1 23 23 PRO HB2 H 1 2.291 0.01 . 1 . . . . . 157 PRO HB2 . 53446 1 238 . 1 . 1 23 23 PRO HB3 H 1 1.895 0.01 . 1 . . . . . 157 PRO HB3 . 53446 1 239 . 1 . 1 23 23 PRO HG2 H 1 2.003 0.01 . 2 . . . . . 157 PRO QG . 53446 1 240 . 1 . 1 23 23 PRO HG3 H 1 2.003 0.01 . 2 . . . . . 157 PRO QG . 53446 1 241 . 1 . 1 23 23 PRO HD2 H 1 3.781 0.04 . 1 . . . . . 157 PRO HD2 . 53446 1 242 . 1 . 1 23 23 PRO HD3 H 1 3.629 0.01 . 1 . . . . . 157 PRO HD3 . 53446 1 243 . 1 . 1 23 23 PRO C C 13 176.839 0.00 . 1 . . . . . 157 PRO C . 53446 1 244 . 1 . 1 23 23 PRO CA C 13 63.055 0.12 . 1 . . . . . 157 PRO CA . 53446 1 245 . 1 . 1 23 23 PRO CB C 13 32.162 0.04 . 1 . . . . . 157 PRO CB . 53446 1 246 . 1 . 1 23 23 PRO CG C 13 27.469 0.09 . 1 . . . . . 157 PRO CG . 53446 1 247 . 1 . 1 23 23 PRO CD C 13 50.612 0.06 . 1 . . . . . 157 PRO CD . 53446 1 248 . 1 . 1 24 24 SER H H 1 8.468 0.00 . 1 . . . . . 158 SER H . 53446 1 249 . 1 . 1 24 24 SER HA H 1 4.434 0.00 . 1 . . . . . 158 SER HA . 53446 1 250 . 1 . 1 24 24 SER HB2 H 1 3.887 0.01 . 1 . . . . . 158 SER HB2 . 53446 1 251 . 1 . 1 24 24 SER HB3 H 1 3.853 0.01 . 1 . . . . . 158 SER HB3 . 53446 1 252 . 1 . 1 24 24 SER C C 13 174.713 0.00 . 1 . . . . . 158 SER C . 53446 1 253 . 1 . 1 24 24 SER CA C 13 58.282 0.06 . 1 . . . . . 158 SER CA . 53446 1 254 . 1 . 1 24 24 SER CB C 13 63.990 0.10 . 1 . . . . . 158 SER CB . 53446 1 255 . 1 . 1 24 24 SER N N 15 116.815 0.02 . 1 . . . . . 158 SER N . 53446 1 256 . 1 . 1 25 25 LYS H H 1 8.461 0.01 . 1 . . . . . 159 LYS H . 53446 1 257 . 1 . 1 25 25 LYS HA H 1 4.269 0.01 . 1 . . . . . 159 LYS HA . 53446 1 258 . 1 . 1 25 25 LYS HB2 H 1 1.755 0.01 . 2 . . . . . 159 LYS QB . 53446 1 259 . 1 . 1 25 25 LYS HB3 H 1 1.755 0.01 . 2 . . . . . 159 LYS QB . 53446 1 260 . 1 . 1 25 25 LYS HG2 H 1 1.399 0.01 . 2 . . . . . 159 LYS QG . 53446 1 261 . 1 . 1 25 25 LYS HG3 H 1 1.399 0.01 . 2 . . . . . 159 LYS QG . 53446 1 262 . 1 . 1 25 25 LYS HD2 H 1 1.726 0.00 . 2 . . . . . 159 LYS QD . 53446 1 263 . 1 . 1 25 25 LYS HD3 H 1 1.726 0.00 . 2 . . . . . 159 LYS QD . 53446 1 264 . 1 . 1 25 25 LYS HE2 H 1 2.959 0.01 . 2 . . . . . 159 LYS QE . 53446 1 265 . 1 . 1 25 25 LYS HE3 H 1 2.959 0.01 . 2 . . . . . 159 LYS QE . 53446 1 266 . 1 . 1 25 25 LYS C C 13 176.492 0.00 . 1 . . . . . 159 LYS C . 53446 1 267 . 1 . 1 25 25 LYS CA C 13 56.406 0.05 . 1 . . . . . 159 LYS CA . 53446 1 268 . 1 . 1 25 25 LYS CB C 13 33.109 0.05 . 1 . . . . . 159 LYS CB . 53446 1 269 . 1 . 1 25 25 LYS CG C 13 24.869 0.04 . 1 . . . . . 159 LYS CG . 53446 1 270 . 1 . 1 25 25 LYS CD C 13 29.086 0.00 . 1 . . . . . 159 LYS CD . 53446 1 271 . 1 . 1 25 25 LYS CE C 13 42.150 0.02 . 1 . . . . . 159 LYS CE . 53446 1 272 . 1 . 1 25 25 LYS N N 15 123.825 0.03 . 1 . . . . . 159 LYS N . 53446 1 273 . 1 . 1 26 26 LYS H H 1 8.308 0.00 . 1 . . . . . 160 LYS H . 53446 1 274 . 1 . 1 26 26 LYS HA H 1 4.303 0.02 . 1 . . . . . 160 LYS HA . 53446 1 275 . 1 . 1 26 26 LYS HB2 H 1 1.754 0.02 . 2 . . . . . 160 LYS QB . 53446 1 276 . 1 . 1 26 26 LYS HB3 H 1 1.754 0.02 . 2 . . . . . 160 LYS QB . 53446 1 277 . 1 . 1 26 26 LYS HG2 H 1 1.395 0.00 . 2 . . . . . 160 LYS QG . 53446 1 278 . 1 . 1 26 26 LYS HG3 H 1 1.395 0.00 . 2 . . . . . 160 LYS QG . 53446 1 279 . 1 . 1 26 26 LYS HD2 H 1 1.660 0.00 . 2 . . . . . 160 LYS QD . 53446 1 280 . 1 . 1 26 26 LYS HD3 H 1 1.660 0.00 . 2 . . . . . 160 LYS QD . 53446 1 281 . 1 . 1 26 26 LYS HE2 H 1 3.011 0.00 . 2 . . . . . 160 LYS QE . 53446 1 282 . 1 . 1 26 26 LYS HE3 H 1 3.011 0.00 . 2 . . . . . 160 LYS QE . 53446 1 283 . 1 . 1 26 26 LYS C C 13 176.728 0.00 . 1 . . . . . 160 LYS C . 53446 1 284 . 1 . 1 26 26 LYS CA C 13 56.320 0.05 . 1 . . . . . 160 LYS CA . 53446 1 285 . 1 . 1 26 26 LYS CB C 13 33.089 0.03 . 1 . . . . . 160 LYS CB . 53446 1 286 . 1 . 1 26 26 LYS CG C 13 24.910 0.04 . 1 . . . . . 160 LYS CG . 53446 1 287 . 1 . 1 26 26 LYS CD C 13 29.124 0.00 . 1 . . . . . 160 LYS CD . 53446 1 288 . 1 . 1 26 26 LYS CE C 13 42.150 0.00 . 1 . . . . . 160 LYS CE . 53446 1 289 . 1 . 1 26 26 LYS N N 15 123.162 0.07 . 1 . . . . . 160 LYS N . 53446 1 290 . 1 . 1 27 27 LYS H H 1 8.271 0.01 . 1 . . . . . 161 LYS H . 53446 1 291 . 1 . 1 27 27 LYS HA H 1 4.260 0.01 . 1 . . . . . 161 LYS HA . 53446 1 292 . 1 . 1 27 27 LYS HB2 H 1 1.718 0.01 . 2 . . . . . 161 LYS QB . 53446 1 293 . 1 . 1 27 27 LYS HB3 H 1 1.718 0.01 . 2 . . . . . 161 LYS QB . 53446 1 294 . 1 . 1 27 27 LYS HG2 H 1 1.376 0.01 . 2 . . . . . 161 LYS QG . 53446 1 295 . 1 . 1 27 27 LYS HG3 H 1 1.376 0.01 . 2 . . . . . 161 LYS QG . 53446 1 296 . 1 . 1 27 27 LYS HD2 H 1 1.702 0.01 . 2 . . . . . 161 LYS QD . 53446 1 297 . 1 . 1 27 27 LYS HD3 H 1 1.702 0.01 . 2 . . . . . 161 LYS QD . 53446 1 298 . 1 . 1 27 27 LYS HE2 H 1 2.939 0.00 . 2 . . . . . 161 LYS QE . 53446 1 299 . 1 . 1 27 27 LYS HE3 H 1 2.939 0.00 . 2 . . . . . 161 LYS QE . 53446 1 300 . 1 . 1 27 27 LYS C C 13 176.362 0.00 . 1 . . . . . 161 LYS C . 53446 1 301 . 1 . 1 27 27 LYS CA C 13 56.252 0.01 . 1 . . . . . 161 LYS CA . 53446 1 302 . 1 . 1 27 27 LYS CB C 13 33.088 0.07 . 1 . . . . . 161 LYS CB . 53446 1 303 . 1 . 1 27 27 LYS CG C 13 24.854 0.03 . 1 . . . . . 161 LYS CG . 53446 1 304 . 1 . 1 27 27 LYS CD C 13 29.094 0.00 . 1 . . . . . 161 LYS CD . 53446 1 305 . 1 . 1 27 27 LYS CE C 13 42.158 0.00 . 1 . . . . . 161 LYS CE . 53446 1 306 . 1 . 1 27 27 LYS N N 15 122.206 0.04 . 1 . . . . . 161 LYS N . 53446 1 307 . 1 . 1 28 28 ARG H H 1 8.366 0.00 . 1 . . . . . 162 ARG H . 53446 1 308 . 1 . 1 28 28 ARG HA H 1 4.241 0.01 . 1 . . . . . 162 ARG HA . 53446 1 309 . 1 . 1 28 28 ARG HB2 H 1 1.650 0.01 . 2 . . . . . 162 ARG QB . 53446 1 310 . 1 . 1 28 28 ARG HB3 H 1 1.650 0.01 . 2 . . . . . 162 ARG QB . 53446 1 311 . 1 . 1 28 28 ARG HG2 H 1 1.449 0.01 . 2 . . . . . 162 ARG QG . 53446 1 312 . 1 . 1 28 28 ARG HG3 H 1 1.449 0.01 . 2 . . . . . 162 ARG QG . 53446 1 313 . 1 . 1 28 28 ARG HD2 H 1 3.063 0.00 . 2 . . . . . 162 ARG QD . 53446 1 314 . 1 . 1 28 28 ARG HD3 H 1 3.063 0.00 . 2 . . . . . 162 ARG QD . 53446 1 315 . 1 . 1 28 28 ARG CA C 13 56.138 0.03 . 1 . . . . . 162 ARG CA . 53446 1 316 . 1 . 1 28 28 ARG CB C 13 30.916 0.06 . 1 . . . . . 162 ARG CB . 53446 1 317 . 1 . 1 28 28 ARG CG C 13 27.082 0.08 . 1 . . . . . 162 ARG CG . 53446 1 318 . 1 . 1 28 28 ARG CD C 13 43.303 0.08 . 1 . . . . . 162 ARG CD . 53446 1 319 . 1 . 1 28 28 ARG N N 15 122.630 0.02 . 1 . . . . . 162 ARG N . 53446 1 320 . 1 . 1 29 29 HIS H H 1 8.467 0.00 . 1 . . . . . 163 HIS H . 53446 1 321 . 1 . 1 29 29 HIS HA H 1 4.667 0.00 . 1 . . . . . 163 HIS HA . 53446 1 322 . 1 . 1 29 29 HIS HB2 H 1 3.134 0.00 . 1 . . . . . 163 HIS HB2 . 53446 1 323 . 1 . 1 29 29 HIS HB3 H 1 3.095 0.02 . 1 . . . . . 163 HIS HB3 . 53446 1 324 . 1 . 1 29 29 HIS C C 13 174.462 0.00 . 1 . . . . . 163 HIS C . 53446 1 325 . 1 . 1 29 29 HIS CA C 13 55.742 0.05 . 1 . . . . . 163 HIS CA . 53446 1 326 . 1 . 1 29 29 HIS CB C 13 30.183 0.08 . 1 . . . . . 163 HIS CB . 53446 1 327 . 1 . 1 29 29 HIS N N 15 120.692 0.04 . 1 . . . . . 163 HIS N . 53446 1 328 . 1 . 1 30 30 TRP H H 1 8.207 0.00 . 1 . . . . . 164 TRP H . 53446 1 329 . 1 . 1 30 30 TRP HA H 1 4.583 0.01 . 1 . . . . . 164 TRP HA . 53446 1 330 . 1 . 1 30 30 TRP HB2 H 1 3.193 0.01 . 2 . . . . . 164 TRP QB . 53446 1 331 . 1 . 1 30 30 TRP HB3 H 1 3.193 0.01 . 2 . . . . . 164 TRP QB . 53446 1 332 . 1 . 1 30 30 TRP C C 13 175.333 0.00 . 1 . . . . . 164 TRP C . 53446 1 333 . 1 . 1 30 30 TRP CA C 13 57.690 0.12 . 1 . . . . . 164 TRP CA . 53446 1 334 . 1 . 1 30 30 TRP CB C 13 29.948 0.04 . 1 . . . . . 164 TRP CB . 53446 1 335 . 1 . 1 30 30 TRP N N 15 123.392 0.05 . 1 . . . . . 164 TRP N . 53446 1 336 . 1 . 1 31 31 LYS H H 1 7.761 0.00 . 1 . . . . . 165 LYS H . 53446 1 337 . 1 . 1 31 31 LYS HA H 1 4.322 0.01 . 1 . . . . . 165 LYS HA . 53446 1 338 . 1 . 1 31 31 LYS HB2 H 1 1.490 0.05 . 1 . . . . . 165 LYS HB2 . 53446 1 339 . 1 . 1 31 31 LYS HB3 H 1 1.362 0.01 . 1 . . . . . 165 LYS HB3 . 53446 1 340 . 1 . 1 31 31 LYS HG2 H 1 1.230 0.01 . 2 . . . . . 165 LYS QG . 53446 1 341 . 1 . 1 31 31 LYS HG3 H 1 1.230 0.01 . 2 . . . . . 165 LYS QG . 53446 1 342 . 1 . 1 31 31 LYS HE2 H 1 2.880 0.00 . 2 . . . . . 165 LYS QE . 53446 1 343 . 1 . 1 31 31 LYS HE3 H 1 2.880 0.00 . 2 . . . . . 165 LYS QE . 53446 1 344 . 1 . 1 31 31 LYS CA C 13 54.119 0.10 . 1 . . . . . 165 LYS CA . 53446 1 345 . 1 . 1 31 31 LYS CB C 13 33.116 0.09 . 1 . . . . . 165 LYS CB . 53446 1 346 . 1 . 1 31 31 LYS CG C 13 24.579 0.09 . 1 . . . . . 165 LYS CG . 53446 1 347 . 1 . 1 31 31 LYS N N 15 124.798 0.03 . 1 . . . . . 165 LYS N . 53446 1 348 . 1 . 1 32 32 PRO HA H 1 4.113 0.01 . 1 . . . . . 166 PRO HA . 53446 1 349 . 1 . 1 32 32 PRO HB2 H 1 2.153 0.00 . 1 . . . . . 166 PRO HB2 . 53446 1 350 . 1 . 1 32 32 PRO HB3 H 1 1.528 0.01 . 1 . . . . . 166 PRO HB3 . 53446 1 351 . 1 . 1 32 32 PRO HG2 H 1 1.871 0.01 . 1 . . . . . 166 PRO HG2 . 53446 1 352 . 1 . 1 32 32 PRO HG3 H 1 1.746 0.01 . 1 . . . . . 166 PRO HG3 . 53446 1 353 . 1 . 1 32 32 PRO HD2 H 1 3.413 0.01 . 1 . . . . . 166 PRO HD2 . 53446 1 354 . 1 . 1 32 32 PRO HD3 H 1 3.312 0.01 . 1 . . . . . 166 PRO HD3 . 53446 1 355 . 1 . 1 32 32 PRO CA C 13 62.896 0.09 . 1 . . . . . 166 PRO CA . 53446 1 356 . 1 . 1 32 32 PRO CB C 13 32.040 0.07 . 1 . . . . . 166 PRO CB . 53446 1 357 . 1 . 1 32 32 PRO CG C 13 27.312 0.06 . 1 . . . . . 166 PRO CG . 53446 1 358 . 1 . 1 32 32 PRO CD C 13 50.280 0.06 . 1 . . . . . 166 PRO CD . 53446 1 359 . 1 . 1 33 33 TYR H H 1 7.975 0.00 . 1 . . . . . 167 TYR H . 53446 1 360 . 1 . 1 33 33 TYR HA H 1 4.161 0.01 . 1 . . . . . 167 TYR HA . 53446 1 361 . 1 . 1 33 33 TYR HB2 H 1 2.917 0.01 . 1 . . . . . 167 TYR HB2 . 53446 1 362 . 1 . 1 33 33 TYR HB3 H 1 2.851 0.01 . 1 . . . . . 167 TYR HB3 . 53446 1 363 . 1 . 1 33 33 TYR C C 13 175.943 0.00 . 1 . . . . . 167 TYR C . 53446 1 364 . 1 . 1 33 33 TYR CA C 13 58.928 0.06 . 1 . . . . . 167 TYR CA . 53446 1 365 . 1 . 1 33 33 TYR CB C 13 38.648 0.04 . 1 . . . . . 167 TYR CB . 53446 1 366 . 1 . 1 33 33 TYR N N 15 119.936 0.06 . 1 . . . . . 167 TYR N . 53446 1 367 . 1 . 1 34 34 TYR H H 1 7.640 0.01 . 1 . . . . . 168 TYR H . 53446 1 368 . 1 . 1 34 34 TYR HA H 1 4.399 0.00 . 1 . . . . . 168 TYR HA . 53446 1 369 . 1 . 1 34 34 TYR HB2 H 1 2.959 0.02 . 2 . . . . . 168 TYR QB . 53446 1 370 . 1 . 1 34 34 TYR HB3 H 1 2.959 0.02 . 2 . . . . . 168 TYR QB . 53446 1 371 . 1 . 1 34 34 TYR C C 13 175.482 0.00 . 1 . . . . . 168 TYR C . 53446 1 372 . 1 . 1 34 34 TYR CA C 13 57.961 0.08 . 1 . . . . . 168 TYR CA . 53446 1 373 . 1 . 1 34 34 TYR CB C 13 38.144 0.10 . 1 . . . . . 168 TYR CB . 53446 1 374 . 1 . 1 34 34 TYR N N 15 117.858 0.06 . 1 . . . . . 168 TYR N . 53446 1 375 . 1 . 1 35 35 LYS H H 1 7.745 0.01 . 1 . . . . . 169 LYS H . 53446 1 376 . 1 . 1 35 35 LYS HA H 1 4.176 0.00 . 1 . . . . . 169 LYS HA . 53446 1 377 . 1 . 1 35 35 LYS HB2 H 1 1.758 0.01 . 1 . . . . . 169 LYS HB2 . 53446 1 378 . 1 . 1 35 35 LYS HB3 H 1 1.528 0.01 . 1 . . . . . 169 LYS HB3 . 53446 1 379 . 1 . 1 35 35 LYS HG2 H 1 1.167 0.00 . 2 . . . . . 169 LYS QG . 53446 1 380 . 1 . 1 35 35 LYS HG3 H 1 1.167 0.00 . 2 . . . . . 169 LYS QG . 53446 1 381 . 1 . 1 35 35 LYS HD2 H 1 1.607 0.02 . 2 . . . . . 169 LYS QD . 53446 1 382 . 1 . 1 35 35 LYS HD3 H 1 1.607 0.02 . 2 . . . . . 169 LYS QD . 53446 1 383 . 1 . 1 35 35 LYS HE2 H 1 2.947 0.01 . 2 . . . . . 169 LYS QE . 53446 1 384 . 1 . 1 35 35 LYS HE3 H 1 2.947 0.01 . 2 . . . . . 169 LYS QE . 53446 1 385 . 1 . 1 35 35 LYS C C 13 176.054 0.00 . 1 . . . . . 169 LYS C . 53446 1 386 . 1 . 1 35 35 LYS CA C 13 56.044 0.18 . 1 . . . . . 169 LYS CA . 53446 1 387 . 1 . 1 35 35 LYS CB C 13 33.088 0.07 . 1 . . . . . 169 LYS CB . 53446 1 388 . 1 . 1 35 35 LYS CG C 13 24.885 0.05 . 1 . . . . . 169 LYS CG . 53446 1 389 . 1 . 1 35 35 LYS CD C 13 29.064 0.03 . 1 . . . . . 169 LYS CD . 53446 1 390 . 1 . 1 35 35 LYS CE C 13 42.102 0.03 . 1 . . . . . 169 LYS CE . 53446 1 391 . 1 . 1 35 35 LYS N N 15 121.546 0.02 . 1 . . . . . 169 LYS N . 53446 1 392 . 1 . 1 36 36 LEU H H 1 7.716 0.01 . 1 . . . . . 170 LEU H . 53446 1 393 . 1 . 1 36 36 LEU HA H 1 4.318 0.04 . 1 . . . . . 170 LEU HA . 53446 1 394 . 1 . 1 36 36 LEU HB2 H 1 1.551 0.01 . 1 . . . . . 170 LEU HB2 . 53446 1 395 . 1 . 1 36 36 LEU HB3 H 1 1.448 0.00 . 1 . . . . . 170 LEU HB3 . 53446 1 396 . 1 . 1 36 36 LEU HG H 1 1.602 0.00 . 1 . . . . . 170 LEU HG . 53446 1 397 . 1 . 1 36 36 LEU HD11 H 1 0.707 0.01 . 2 . . . . . 170 LEU QD1 . 53446 1 398 . 1 . 1 36 36 LEU HD12 H 1 0.707 0.01 . 2 . . . . . 170 LEU QD1 . 53446 1 399 . 1 . 1 36 36 LEU HD13 H 1 0.707 0.01 . 2 . . . . . 170 LEU QD1 . 53446 1 400 . 1 . 1 36 36 LEU HD21 H 1 0.733 0.01 . 2 . . . . . 170 LEU QD2 . 53446 1 401 . 1 . 1 36 36 LEU HD22 H 1 0.733 0.01 . 2 . . . . . 170 LEU QD2 . 53446 1 402 . 1 . 1 36 36 LEU HD23 H 1 0.733 0.01 . 2 . . . . . 170 LEU QD2 . 53446 1 403 . 1 . 1 36 36 LEU C C 13 177.967 0.00 . 1 . . . . . 170 LEU C . 53446 1 404 . 1 . 1 36 36 LEU CA C 13 55.056 0.10 . 1 . . . . . 170 LEU CA . 53446 1 405 . 1 . 1 36 36 LEU CB C 13 42.327 0.09 . 1 . . . . . 170 LEU CB . 53446 1 406 . 1 . 1 36 36 LEU CG C 13 26.801 0.12 . 1 . . . . . 170 LEU CG . 53446 1 407 . 1 . 1 36 36 LEU CD1 C 13 25.331 0.05 . 1 . . . . . 170 LEU CD1 . 53446 1 408 . 1 . 1 36 36 LEU CD2 C 13 23.112 0.06 . 1 . . . . . 170 LEU CD2 . 53446 1 409 . 1 . 1 36 36 LEU N N 15 122.369 0.05 . 1 . . . . . 170 LEU N . 53446 1 410 . 1 . 1 37 37 THR H H 1 8.469 0.01 . 1 . . . . . 171 THR H . 53446 1 411 . 1 . 1 37 37 THR HA H 1 4.356 0.01 . 1 . . . . . 171 THR HA . 53446 1 412 . 1 . 1 37 37 THR HB H 1 4.535 0.01 . 1 . . . . . 171 THR HB . 53446 1 413 . 1 . 1 37 37 THR HG21 H 1 1.279 0.01 . 1 . . . . . 171 THR QG2 . 53446 1 414 . 1 . 1 37 37 THR HG22 H 1 1.279 0.01 . 1 . . . . . 171 THR QG2 . 53446 1 415 . 1 . 1 37 37 THR HG23 H 1 1.279 0.01 . 1 . . . . . 171 THR QG2 . 53446 1 416 . 1 . 1 37 37 THR C C 13 175.016 0.00 . 1 . . . . . 171 THR C . 53446 1 417 . 1 . 1 37 37 THR CA C 13 61.558 0.07 . 1 . . . . . 171 THR CA . 53446 1 418 . 1 . 1 37 37 THR CB C 13 70.635 0.08 . 1 . . . . . 171 THR CB . 53446 1 419 . 1 . 1 37 37 THR CG2 C 13 21.824 0.11 . 1 . . . . . 171 THR CG2 . 53446 1 420 . 1 . 1 37 37 THR N N 15 113.778 0.02 . 1 . . . . . 171 THR N . 53446 1 421 . 1 . 1 38 38 TRP H H 1 8.583 0.01 . 1 . . . . . 172 TRP H . 53446 1 422 . 1 . 1 38 38 TRP HA H 1 4.405 0.01 . 1 . . . . . 172 TRP HA . 53446 1 423 . 1 . 1 38 38 TRP HB2 H 1 3.358 0.00 . 1 . . . . . 172 TRP HB2 . 53446 1 424 . 1 . 1 38 38 TRP HB3 H 1 3.311 0.01 . 1 . . . . . 172 TRP HB3 . 53446 1 425 . 1 . 1 38 38 TRP C C 13 177.568 0.00 . 1 . . . . . 172 TRP C . 53446 1 426 . 1 . 1 38 38 TRP CA C 13 59.919 0.07 . 1 . . . . . 172 TRP CA . 53446 1 427 . 1 . 1 38 38 TRP CB C 13 29.064 0.02 . 1 . . . . . 172 TRP CB . 53446 1 428 . 1 . 1 38 38 TRP N N 15 122.042 0.05 . 1 . . . . . 172 TRP N . 53446 1 429 . 1 . 1 39 39 GLU H H 1 8.374 0.01 . 1 . . . . . 173 GLU H . 53446 1 430 . 1 . 1 39 39 GLU HA H 1 3.869 0.01 . 1 . . . . . 173 GLU HA . 53446 1 431 . 1 . 1 39 39 GLU HB2 H 1 1.883 0.01 . 2 . . . . . 173 GLU QB . 53446 1 432 . 1 . 1 39 39 GLU HB3 H 1 1.883 0.01 . 2 . . . . . 173 GLU QB . 53446 1 433 . 1 . 1 39 39 GLU HG2 H 1 2.192 0.02 . 1 . . . . . 173 GLU HG2 . 53446 1 434 . 1 . 1 39 39 GLU HG3 H 1 2.082 0.01 . 1 . . . . . 173 GLU HG3 . 53446 1 435 . 1 . 1 39 39 GLU C C 13 178.229 0.00 . 1 . . . . . 173 GLU C . 53446 1 436 . 1 . 1 39 39 GLU CA C 13 58.775 0.04 . 1 . . . . . 173 GLU CA . 53446 1 437 . 1 . 1 39 39 GLU CB C 13 29.786 0.03 . 1 . . . . . 173 GLU CB . 53446 1 438 . 1 . 1 39 39 GLU CG C 13 36.388 0.06 . 1 . . . . . 173 GLU CG . 53446 1 439 . 1 . 1 39 39 GLU N N 15 119.613 0.07 . 1 . . . . . 173 GLU N . 53446 1 440 . 1 . 1 40 40 GLU H H 1 7.811 0.01 . 1 . . . . . 174 GLU H . 53446 1 441 . 1 . 1 40 40 GLU HA H 1 4.010 0.01 . 1 . . . . . 174 GLU HA . 53446 1 442 . 1 . 1 40 40 GLU HB2 H 1 2.157 0.02 . 1 . . . . . 174 GLU HB2 . 53446 1 443 . 1 . 1 40 40 GLU HB3 H 1 1.995 0.01 . 1 . . . . . 174 GLU HB3 . 53446 1 444 . 1 . 1 40 40 GLU HG2 H 1 2.324 0.01 . 1 . . . . . 174 GLU HG2 . 53446 1 445 . 1 . 1 40 40 GLU HG3 H 1 2.227 0.06 . 1 . . . . . 174 GLU HG3 . 53446 1 446 . 1 . 1 40 40 GLU C C 13 178.509 0.00 . 1 . . . . . 174 GLU C . 53446 1 447 . 1 . 1 40 40 GLU CA C 13 58.227 0.04 . 1 . . . . . 174 GLU CA . 53446 1 448 . 1 . 1 40 40 GLU CB C 13 30.665 0.07 . 1 . . . . . 174 GLU CB . 53446 1 449 . 1 . 1 40 40 GLU CG C 13 36.992 0.05 . 1 . . . . . 174 GLU CG . 53446 1 450 . 1 . 1 40 40 GLU N N 15 120.265 0.02 . 1 . . . . . 174 GLU N . 53446 1 451 . 1 . 1 41 41 LYS H H 1 8.522 0.01 . 1 . . . . . 175 LYS H . 53446 1 452 . 1 . 1 41 41 LYS HA H 1 3.960 0.01 . 1 . . . . . 175 LYS HA . 53446 1 453 . 1 . 1 41 41 LYS HB2 H 1 1.796 0.01 . 1 . . . . . 175 LYS HB2 . 53446 1 454 . 1 . 1 41 41 LYS HB3 H 1 1.748 0.02 . 1 . . . . . 175 LYS HB3 . 53446 1 455 . 1 . 1 41 41 LYS HG2 H 1 1.358 0.01 . 1 . . . . . 175 LYS HG2 . 53446 1 456 . 1 . 1 41 41 LYS HG3 H 1 1.049 0.01 . 1 . . . . . 175 LYS HG3 . 53446 1 457 . 1 . 1 41 41 LYS HD2 H 1 1.500 0.04 . 2 . . . . . 175 LYS QD . 53446 1 458 . 1 . 1 41 41 LYS HD3 H 1 1.500 0.04 . 2 . . . . . 175 LYS QD . 53446 1 459 . 1 . 1 41 41 LYS HE2 H 1 2.825 0.01 . 2 . . . . . 175 LYS QE . 53446 1 460 . 1 . 1 41 41 LYS HE3 H 1 2.825 0.01 . 2 . . . . . 175 LYS QE . 53446 1 461 . 1 . 1 41 41 LYS C C 13 177.469 0.00 . 1 . . . . . 175 LYS C . 53446 1 462 . 1 . 1 41 41 LYS CA C 13 58.714 0.07 . 1 . . . . . 175 LYS CA . 53446 1 463 . 1 . 1 41 41 LYS CB C 13 32.676 0.03 . 1 . . . . . 175 LYS CB . 53446 1 464 . 1 . 1 41 41 LYS CG C 13 25.575 0.08 . 1 . . . . . 175 LYS CG . 53446 1 465 . 1 . 1 41 41 LYS CD C 13 29.423 0.07 . 1 . . . . . 175 LYS CD . 53446 1 466 . 1 . 1 41 41 LYS CE C 13 42.161 0.04 . 1 . . . . . 175 LYS CE . 53446 1 467 . 1 . 1 41 41 LYS N N 15 122.054 0.06 . 1 . . . . . 175 LYS N . 53446 1 468 . 1 . 1 42 42 LYS H H 1 7.885 0.00 . 1 . . . . . 176 LYS H . 53446 1 469 . 1 . 1 42 42 LYS HA H 1 4.079 0.01 . 1 . . . . . 176 LYS HA . 53446 1 470 . 1 . 1 42 42 LYS HB2 H 1 1.700 0.01 . 1 . . . . . 176 LYS HB2 . 53446 1 471 . 1 . 1 42 42 LYS HB3 H 1 1.648 0.02 . 1 . . . . . 176 LYS HB3 . 53446 1 472 . 1 . 1 42 42 LYS HG2 H 1 1.297 0.01 . 1 . . . . . 176 LYS HG2 . 53446 1 473 . 1 . 1 42 42 LYS HG3 H 1 1.246 0.01 . 1 . . . . . 176 LYS HG3 . 53446 1 474 . 1 . 1 42 42 LYS HD2 H 1 1.574 0.01 . 2 . . . . . 176 LYS QD . 53446 1 475 . 1 . 1 42 42 LYS HD3 H 1 1.574 0.01 . 2 . . . . . 176 LYS QD . 53446 1 476 . 1 . 1 42 42 LYS HE2 H 1 2.884 0.01 . 2 . . . . . 176 LYS QE . 53446 1 477 . 1 . 1 42 42 LYS HE3 H 1 2.884 0.01 . 2 . . . . . 176 LYS QE . 53446 1 478 . 1 . 1 42 42 LYS C C 13 178.134 0.00 . 1 . . . . . 176 LYS C . 53446 1 479 . 1 . 1 42 42 LYS CA C 13 58.176 0.08 . 1 . . . . . 176 LYS CA . 53446 1 480 . 1 . 1 42 42 LYS CB C 13 32.377 0.06 . 1 . . . . . 176 LYS CB . 53446 1 481 . 1 . 1 42 42 LYS CG C 13 24.529 0.02 . 1 . . . . . 176 LYS CG . 53446 1 482 . 1 . 1 42 42 LYS CD C 13 29.226 0.09 . 1 . . . . . 176 LYS CD . 53446 1 483 . 1 . 1 42 42 LYS CE C 13 42.005 0.05 . 1 . . . . . 176 LYS CE . 53446 1 484 . 1 . 1 42 42 LYS N N 15 119.747 0.08 . 1 . . . . . 176 LYS N . 53446 1 485 . 1 . 1 43 43 LYS H H 1 7.700 0.01 . 1 . . . . . 177 LYS H . 53446 1 486 . 1 . 1 43 43 LYS HA H 1 4.160 0.01 . 1 . . . . . 177 LYS HA . 53446 1 487 . 1 . 1 43 43 LYS HB2 H 1 1.820 0.02 . 2 . . . . . 177 LYS QB . 53446 1 488 . 1 . 1 43 43 LYS HB3 H 1 1.820 0.02 . 2 . . . . . 177 LYS QB . 53446 1 489 . 1 . 1 43 43 LYS HG2 H 1 1.507 0.01 . 1 . . . . . 177 LYS HG2 . 53446 1 490 . 1 . 1 43 43 LYS HG3 H 1 1.443 0.02 . 1 . . . . . 177 LYS HG3 . 53446 1 491 . 1 . 1 43 43 LYS C C 13 177.758 0.00 . 1 . . . . . 177 LYS C . 53446 1 492 . 1 . 1 43 43 LYS CA C 13 57.985 0.22 . 1 . . . . . 177 LYS CA . 53446 1 493 . 1 . 1 43 43 LYS CB C 13 32.598 0.07 . 1 . . . . . 177 LYS CB . 53446 1 494 . 1 . 1 43 43 LYS CG C 13 24.995 0.07 . 1 . . . . . 177 LYS CG . 53446 1 495 . 1 . 1 43 43 LYS CE C 13 41.977 0.00 . 1 . . . . . 177 LYS CE . 53446 1 496 . 1 . 1 43 43 LYS N N 15 119.296 0.03 . 1 . . . . . 177 LYS N . 53446 1 497 . 1 . 1 44 44 PHE H H 1 8.173 0.01 . 1 . . . . . 178 PHE H . 53446 1 498 . 1 . 1 44 44 PHE HA H 1 4.340 0.01 . 1 . . . . . 178 PHE HA . 53446 1 499 . 1 . 1 44 44 PHE HB2 H 1 3.245 0.00 . 1 . . . . . 178 PHE HB2 . 53446 1 500 . 1 . 1 44 44 PHE HB3 H 1 3.061 0.01 . 1 . . . . . 178 PHE HB3 . 53446 1 501 . 1 . 1 44 44 PHE C C 13 176.784 0.00 . 1 . . . . . 178 PHE C . 53446 1 502 . 1 . 1 44 44 PHE CA C 13 59.845 0.10 . 1 . . . . . 178 PHE CA . 53446 1 503 . 1 . 1 44 44 PHE CB C 13 39.445 0.08 . 1 . . . . . 178 PHE CB . 53446 1 504 . 1 . 1 44 44 PHE N N 15 121.242 0.08 . 1 . . . . . 178 PHE N . 53446 1 505 . 1 . 1 45 45 ASP H H 1 8.573 0.01 . 1 . . . . . 179 ASP H . 53446 1 506 . 1 . 1 45 45 ASP HA H 1 4.490 0.01 . 1 . . . . . 179 ASP HA . 53446 1 507 . 1 . 1 45 45 ASP HB2 H 1 2.710 0.01 . 2 . . . . . 179 ASP QB . 53446 1 508 . 1 . 1 45 45 ASP HB3 H 1 2.710 0.01 . 2 . . . . . 179 ASP QB . 53446 1 509 . 1 . 1 45 45 ASP C C 13 177.854 0.00 . 1 . . . . . 179 ASP C . 53446 1 510 . 1 . 1 45 45 ASP CA C 13 55.675 0.09 . 1 . . . . . 179 ASP CA . 53446 1 511 . 1 . 1 45 45 ASP CB C 13 40.773 0.06 . 1 . . . . . 179 ASP CB . 53446 1 512 . 1 . 1 45 45 ASP N N 15 121.386 0.09 . 1 . . . . . 179 ASP N . 53446 1 513 . 1 . 1 46 46 GLU H H 1 8.233 0.01 . 1 . . . . . 180 GLU H . 53446 1 514 . 1 . 1 46 46 GLU HA H 1 4.130 0.01 . 1 . . . . . 180 GLU HA . 53446 1 515 . 1 . 1 46 46 GLU HB2 H 1 2.090 0.01 . 2 . . . . . 180 GLU QB . 53446 1 516 . 1 . 1 46 46 GLU HB3 H 1 2.090 0.01 . 2 . . . . . 180 GLU QB . 53446 1 517 . 1 . 1 46 46 GLU HG2 H 1 2.354 0.04 . 2 . . . . . 180 GLU QG . 53446 1 518 . 1 . 1 46 46 GLU HG3 H 1 2.354 0.04 . 2 . . . . . 180 GLU QG . 53446 1 519 . 1 . 1 46 46 GLU C C 13 177.912 0.00 . 1 . . . . . 180 GLU C . 53446 1 520 . 1 . 1 46 46 GLU CA C 13 58.386 0.08 . 1 . . . . . 180 GLU CA . 53446 1 521 . 1 . 1 46 46 GLU CB C 13 29.775 0.14 . 1 . . . . . 180 GLU CB . 53446 1 522 . 1 . 1 46 46 GLU CG C 13 36.396 0.07 . 1 . . . . . 180 GLU CG . 53446 1 523 . 1 . 1 46 46 GLU N N 15 121.518 0.03 . 1 . . . . . 180 GLU N . 53446 1 524 . 1 . 1 47 47 LYS H H 1 8.063 0.01 . 1 . . . . . 181 LYS H . 53446 1 525 . 1 . 1 47 47 LYS HA H 1 4.160 0.00 . 1 . . . . . 181 LYS HA . 53446 1 526 . 1 . 1 47 47 LYS HB2 H 1 1.844 0.02 . 2 . . . . . 181 LYS QB . 53446 1 527 . 1 . 1 47 47 LYS HB3 H 1 1.844 0.02 . 2 . . . . . 181 LYS QB . 53446 1 528 . 1 . 1 47 47 LYS HG2 H 1 1.442 0.02 . 2 . . . . . 181 LYS QG . 53446 1 529 . 1 . 1 47 47 LYS HG3 H 1 1.442 0.02 . 2 . . . . . 181 LYS QG . 53446 1 530 . 1 . 1 47 47 LYS HD2 H 1 1.662 0.01 . 2 . . . . . 181 LYS QD . 53446 1 531 . 1 . 1 47 47 LYS HD3 H 1 1.662 0.01 . 2 . . . . . 181 LYS QD . 53446 1 532 . 1 . 1 47 47 LYS HE2 H 1 2.958 0.01 . 2 . . . . . 181 LYS QE . 53446 1 533 . 1 . 1 47 47 LYS HE3 H 1 2.958 0.01 . 2 . . . . . 181 LYS QE . 53446 1 534 . 1 . 1 47 47 LYS C C 13 178.179 0.00 . 1 . . . . . 181 LYS C . 53446 1 535 . 1 . 1 47 47 LYS CA C 13 58.024 0.01 . 1 . . . . . 181 LYS CA . 53446 1 536 . 1 . 1 47 47 LYS CB C 13 32.313 0.13 . 1 . . . . . 181 LYS CB . 53446 1 537 . 1 . 1 47 47 LYS CG C 13 24.920 0.06 . 1 . . . . . 181 LYS CG . 53446 1 538 . 1 . 1 47 47 LYS CD C 13 29.091 0.02 . 1 . . . . . 181 LYS CD . 53446 1 539 . 1 . 1 47 47 LYS CE C 13 42.185 0.03 . 1 . . . . . 181 LYS CE . 53446 1 540 . 1 . 1 47 47 LYS N N 15 120.175 0.06 . 1 . . . . . 181 LYS N . 53446 1 541 . 1 . 1 48 48 GLN H H 1 8.166 0.00 . 1 . . . . . 182 GLN H . 53446 1 542 . 1 . 1 48 48 GLN HA H 1 4.154 0.01 . 1 . . . . . 182 GLN HA . 53446 1 543 . 1 . 1 48 48 GLN HB2 H 1 2.055 0.02 . 2 . . . . . 182 GLN QB . 53446 1 544 . 1 . 1 48 48 GLN HB3 H 1 2.055 0.02 . 2 . . . . . 182 GLN QB . 53446 1 545 . 1 . 1 48 48 GLN HG2 H 1 2.254 0.01 . 2 . . . . . 182 GLN QG . 53446 1 546 . 1 . 1 48 48 GLN HG3 H 1 2.254 0.01 . 2 . . . . . 182 GLN QG . 53446 1 547 . 1 . 1 48 48 GLN C C 13 177.373 0.00 . 1 . . . . . 182 GLN C . 53446 1 548 . 1 . 1 48 48 GLN CA C 13 57.431 0.19 . 1 . . . . . 182 GLN CA . 53446 1 549 . 1 . 1 48 48 GLN CB C 13 28.665 0.08 . 1 . . . . . 182 GLN CB . 53446 1 550 . 1 . 1 48 48 GLN CG C 13 33.749 0.08 . 1 . . . . . 182 GLN CG . 53446 1 551 . 1 . 1 48 48 GLN N N 15 119.366 0.05 . 1 . . . . . 182 GLN N . 53446 1 552 . 1 . 1 49 49 SER H H 1 8.175 0.01 . 1 . . . . . 183 SER H . 53446 1 553 . 1 . 1 49 49 SER HA H 1 4.351 0.00 . 1 . . . . . 183 SER HA . 53446 1 554 . 1 . 1 49 49 SER HB2 H 1 3.932 0.01 . 2 . . . . . 183 SER QB . 53446 1 555 . 1 . 1 49 49 SER HB3 H 1 3.932 0.01 . 2 . . . . . 183 SER QB . 53446 1 556 . 1 . 1 49 49 SER C C 13 175.721 0.00 . 1 . . . . . 183 SER C . 53446 1 557 . 1 . 1 49 49 SER CA C 13 59.861 0.12 . 1 . . . . . 183 SER CA . 53446 1 558 . 1 . 1 49 49 SER CB C 13 63.382 0.12 . 1 . . . . . 183 SER CB . 53446 1 559 . 1 . 1 49 49 SER N N 15 115.970 0.05 . 1 . . . . . 183 SER N . 53446 1 560 . 1 . 1 50 50 LEU H H 1 8.051 0.00 . 1 . . . . . 184 LEU H . 53446 1 561 . 1 . 1 50 50 LEU HB2 H 1 1.671 0.02 . 2 . . . . . 184 LEU QB . 53446 1 562 . 1 . 1 50 50 LEU HB3 H 1 1.671 0.02 . 2 . . . . . 184 LEU QB . 53446 1 563 . 1 . 1 50 50 LEU HG H 1 1.797 0.06 . 1 . . . . . 184 LEU HG . 53446 1 564 . 1 . 1 50 50 LEU HD11 H 1 0.897 0.00 . 2 . . . . . 184 LEU QD . 53446 1 565 . 1 . 1 50 50 LEU HD12 H 1 0.897 0.00 . 2 . . . . . 184 LEU QD . 53446 1 566 . 1 . 1 50 50 LEU HD13 H 1 0.897 0.00 . 2 . . . . . 184 LEU QD . 53446 1 567 . 1 . 1 50 50 LEU HD21 H 1 0.897 0.00 . 2 . . . . . 184 LEU QD . 53446 1 568 . 1 . 1 50 50 LEU HD22 H 1 0.897 0.00 . 2 . . . . . 184 LEU QD . 53446 1 569 . 1 . 1 50 50 LEU HD23 H 1 0.897 0.00 . 2 . . . . . 184 LEU QD . 53446 1 570 . 1 . 1 50 50 LEU C C 13 178.460 0.00 . 1 . . . . . 184 LEU C . 53446 1 571 . 1 . 1 50 50 LEU CA C 13 56.573 0.15 . 1 . . . . . 184 LEU CA . 53446 1 572 . 1 . 1 50 50 LEU CB C 13 42.062 0.06 . 1 . . . . . 184 LEU CB . 53446 1 573 . 1 . 1 50 50 LEU CD1 C 13 24.873 0.06 . 1 . . . . . 184 LEU CD1 . 53446 1 574 . 1 . 1 50 50 LEU CD2 C 13 23.731 0.00 . 1 . . . . . 184 LEU CD2 . 53446 1 575 . 1 . 1 50 50 LEU N N 15 123.516 0.05 . 1 . . . . . 184 LEU N . 53446 1 576 . 1 . 1 51 51 ARG H H 1 8.040 0.01 . 1 . . . . . 185 ARG H . 53446 1 577 . 1 . 1 51 51 ARG HA H 1 4.325 0.00 . 1 . . . . . 185 ARG HA . 53446 1 578 . 1 . 1 51 51 ARG HG2 H 1 1.612 0.00 . 2 . . . . . 185 ARG QG . 53446 1 579 . 1 . 1 51 51 ARG HG3 H 1 1.612 0.00 . 2 . . . . . 185 ARG QG . 53446 1 580 . 1 . 1 51 51 ARG HD2 H 1 3.182 0.00 . 2 . . . . . 185 ARG QD . 53446 1 581 . 1 . 1 51 51 ARG HD3 H 1 3.182 0.00 . 2 . . . . . 185 ARG QD . 53446 1 582 . 1 . 1 51 51 ARG C C 13 177.165 0.00 . 1 . . . . . 185 ARG C . 53446 1 583 . 1 . 1 51 51 ARG CA C 13 57.709 0.06 . 1 . . . . . 185 ARG CA . 53446 1 584 . 1 . 1 51 51 ARG CB C 13 30.328 0.08 . 1 . . . . . 185 ARG CB . 53446 1 585 . 1 . 1 51 51 ARG CG C 13 27.093 0.04 . 1 . . . . . 185 ARG CG . 53446 1 586 . 1 . 1 51 51 ARG CD C 13 43.469 0.05 . 1 . . . . . 185 ARG CD . 53446 1 587 . 1 . 1 51 51 ARG N N 15 120.523 0.08 . 1 . . . . . 185 ARG N . 53446 1 588 . 1 . 1 52 52 ALA H H 1 8.156 0.01 . 1 . . . . . 186 ALA H . 53446 1 589 . 1 . 1 52 52 ALA HA H 1 4.240 0.02 . 1 . . . . . 186 ALA HA . 53446 1 590 . 1 . 1 52 52 ALA HB1 H 1 1.454 0.00 . 1 . . . . . 186 ALA HB# . 53446 1 591 . 1 . 1 52 52 ALA HB2 H 1 1.454 0.00 . 1 . . . . . 186 ALA HB# . 53446 1 592 . 1 . 1 52 52 ALA HB3 H 1 1.454 0.00 . 1 . . . . . 186 ALA HB# . 53446 1 593 . 1 . 1 52 52 ALA C C 13 178.913 0.00 . 1 . . . . . 186 ALA C . 53446 1 594 . 1 . 1 52 52 ALA CA C 13 53.802 0.07 . 1 . . . . . 186 ALA CA . 53446 1 595 . 1 . 1 52 52 ALA CB C 13 18.839 0.05 . 1 . . . . . 186 ALA CB . 53446 1 596 . 1 . 1 52 52 ALA N N 15 122.702 0.08 . 1 . . . . . 186 ALA N . 53446 1 597 . 1 . 1 53 53 SER H H 1 8.134 0.00 . 1 . . . . . 187 SER H . 53446 1 598 . 1 . 1 53 53 SER HA H 1 4.336 0.00 . 1 . . . . . 187 SER HA . 53446 1 599 . 1 . 1 53 53 SER HB2 H 1 3.970 0.02 . 1 . . . . . 187 SER HB2 . 53446 1 600 . 1 . 1 53 53 SER HB3 H 1 3.939 0.01 . 1 . . . . . 187 SER HB3 . 53446 1 601 . 1 . 1 53 53 SER C C 13 175.521 0.00 . 1 . . . . . 187 SER C . 53446 1 602 . 1 . 1 53 53 SER CA C 13 59.806 0.07 . 1 . . . . . 187 SER CA . 53446 1 603 . 1 . 1 53 53 SER CB C 13 63.411 0.03 . 1 . . . . . 187 SER CB . 53446 1 604 . 1 . 1 53 53 SER N N 15 114.196 0.04 . 1 . . . . . 187 SER N . 53446 1 605 . 1 . 1 54 54 ARG H H 1 8.137 0.01 . 1 . . . . . 188 ARG H . 53446 1 606 . 1 . 1 54 54 ARG HA H 1 4.293 0.01 . 1 . . . . . 188 ARG HA . 53446 1 607 . 1 . 1 54 54 ARG HB2 H 1 1.875 0.00 . 2 . . . . . 188 ARG QB . 53446 1 608 . 1 . 1 54 54 ARG HB3 H 1 1.875 0.00 . 2 . . . . . 188 ARG QB . 53446 1 609 . 1 . 1 54 54 ARG HG2 H 1 1.653 0.01 . 2 . . . . . 188 ARG QG . 53446 1 610 . 1 . 1 54 54 ARG HG3 H 1 1.653 0.01 . 2 . . . . . 188 ARG QG . 53446 1 611 . 1 . 1 54 54 ARG HD2 H 1 3.176 0.01 . 2 . . . . . 188 ARG QD . 53446 1 612 . 1 . 1 54 54 ARG HD3 H 1 3.176 0.01 . 2 . . . . . 188 ARG QD . 53446 1 613 . 1 . 1 54 54 ARG C C 13 177.176 0.00 . 1 . . . . . 188 ARG C . 53446 1 614 . 1 . 1 54 54 ARG CA C 13 57.407 0.01 . 1 . . . . . 188 ARG CA . 53446 1 615 . 1 . 1 54 54 ARG CB C 13 30.387 0.03 . 1 . . . . . 188 ARG CB . 53446 1 616 . 1 . 1 54 54 ARG CG C 13 27.192 0.00 . 1 . . . . . 188 ARG CG . 53446 1 617 . 1 . 1 54 54 ARG CD C 13 43.402 0.01 . 1 . . . . . 188 ARG CD . 53446 1 618 . 1 . 1 54 54 ARG N N 15 123.100 0.05 . 1 . . . . . 188 ARG N . 53446 1 619 . 1 . 1 55 55 ILE H H 1 8.028 0.00 . 1 . . . . . 189 ILE H . 53446 1 620 . 1 . 1 55 55 ILE HA H 1 4.015 0.00 . 1 . . . . . 189 ILE HA . 53446 1 621 . 1 . 1 55 55 ILE HB H 1 1.875 0.00 . 1 . . . . . 189 ILE HB . 53446 1 622 . 1 . 1 55 55 ILE HG12 H 1 1.549 0.01 . 1 . . . . . 189 ILE HG12 . 53446 1 623 . 1 . 1 55 55 ILE HG13 H 1 1.200 0.01 . 1 . . . . . 189 ILE HG13 . 53446 1 624 . 1 . 1 55 55 ILE HG21 H 1 0.903 0.00 . 1 . . . . . 189 ILE QG2 . 53446 1 625 . 1 . 1 55 55 ILE HG22 H 1 0.903 0.00 . 1 . . . . . 189 ILE QG2 . 53446 1 626 . 1 . 1 55 55 ILE HG23 H 1 0.903 0.00 . 1 . . . . . 189 ILE QG2 . 53446 1 627 . 1 . 1 55 55 ILE HD11 H 1 0.849 0.01 . 1 . . . . . 189 ILE QD1 . 53446 1 628 . 1 . 1 55 55 ILE HD12 H 1 0.849 0.01 . 1 . . . . . 189 ILE QD1 . 53446 1 629 . 1 . 1 55 55 ILE HD13 H 1 0.849 0.01 . 1 . . . . . 189 ILE QD1 . 53446 1 630 . 1 . 1 55 55 ILE C C 13 177.072 0.00 . 1 . . . . . 189 ILE C . 53446 1 631 . 1 . 1 55 55 ILE CA C 13 62.557 0.05 . 1 . . . . . 189 ILE CA . 53446 1 632 . 1 . 1 55 55 ILE CB C 13 38.364 0.06 . 1 . . . . . 189 ILE CB . 53446 1 633 . 1 . 1 55 55 ILE CG1 C 13 27.994 0.12 . 1 . . . . . 189 ILE CG1 . 53446 1 634 . 1 . 1 55 55 ILE CG2 C 13 17.486 0.04 . 1 . . . . . 189 ILE CG2 . 53446 1 635 . 1 . 1 55 55 ILE CD1 C 13 12.972 0.06 . 1 . . . . . 189 ILE CD1 . 53446 1 636 . 1 . 1 55 55 ILE N N 15 120.737 0.05 . 1 . . . . . 189 ILE N . 53446 1 637 . 1 . 1 56 56 ARG H H 1 8.139 0.01 . 1 . . . . . 190 ARG H . 53446 1 638 . 1 . 1 56 56 ARG HA H 1 4.210 0.01 . 1 . . . . . 190 ARG HA . 53446 1 639 . 1 . 1 56 56 ARG HB2 H 1 1.840 0.01 . 2 . . . . . 190 ARG QB . 53446 1 640 . 1 . 1 56 56 ARG HB3 H 1 1.840 0.01 . 2 . . . . . 190 ARG QB . 53446 1 641 . 1 . 1 56 56 ARG HG2 H 1 1.613 0.01 . 2 . . . . . 190 ARG QG . 53446 1 642 . 1 . 1 56 56 ARG HG3 H 1 1.613 0.01 . 2 . . . . . 190 ARG QG . 53446 1 643 . 1 . 1 56 56 ARG HD2 H 1 3.189 0.00 . 2 . . . . . 190 ARG QD . 53446 1 644 . 1 . 1 56 56 ARG HD3 H 1 3.189 0.00 . 2 . . . . . 190 ARG QD . 53446 1 645 . 1 . 1 56 56 ARG C C 13 177.002 0.00 . 1 . . . . . 190 ARG C . 53446 1 646 . 1 . 1 56 56 ARG CA C 13 57.436 0.19 . 1 . . . . . 190 ARG CA . 53446 1 647 . 1 . 1 56 56 ARG CB C 13 30.487 0.08 . 1 . . . . . 190 ARG CB . 53446 1 648 . 1 . 1 56 56 ARG CD C 13 43.445 0.02 . 1 . . . . . 190 ARG CD . 53446 1 649 . 1 . 1 56 56 ARG N N 15 123.046 0.08 . 1 . . . . . 190 ARG N . 53446 1 650 . 1 . 1 57 57 ALA H H 1 8.147 0.00 . 1 . . . . . 191 ALA H . 53446 1 651 . 1 . 1 57 57 ALA HA H 1 4.217 0.01 . 1 . . . . . 191 ALA HA . 53446 1 652 . 1 . 1 57 57 ALA HB1 H 1 1.453 0.00 . 1 . . . . . 191 ALA HB# . 53446 1 653 . 1 . 1 57 57 ALA HB2 H 1 1.453 0.00 . 1 . . . . . 191 ALA HB# . 53446 1 654 . 1 . 1 57 57 ALA HB3 H 1 1.453 0.00 . 1 . . . . . 191 ALA HB# . 53446 1 655 . 1 . 1 57 57 ALA C C 13 178.993 0.00 . 1 . . . . . 191 ALA C . 53446 1 656 . 1 . 1 57 57 ALA CA C 13 53.757 0.09 . 1 . . . . . 191 ALA CA . 53446 1 657 . 1 . 1 57 57 ALA CB C 13 18.831 0.02 . 1 . . . . . 191 ALA CB . 53446 1 658 . 1 . 1 57 57 ALA N N 15 123.265 0.13 . 1 . . . . . 191 ALA N . 53446 1 659 . 1 . 1 58 58 GLU H H 1 8.328 0.00 . 1 . . . . . 192 GLU H . 53446 1 660 . 1 . 1 58 58 GLU HA H 1 4.116 0.00 . 1 . . . . . 192 GLU HA . 53446 1 661 . 1 . 1 58 58 GLU HB2 H 1 1.997 0.02 . 2 . . . . . 192 GLU QB . 53446 1 662 . 1 . 1 58 58 GLU HB3 H 1 1.997 0.02 . 2 . . . . . 192 GLU QB . 53446 1 663 . 1 . 1 58 58 GLU HG2 H 1 2.304 0.01 . 2 . . . . . 192 GLU QG . 53446 1 664 . 1 . 1 58 58 GLU HG3 H 1 2.304 0.01 . 2 . . . . . 192 GLU QG . 53446 1 665 . 1 . 1 58 58 GLU C C 13 177.442 0.00 . 1 . . . . . 192 GLU C . 53446 1 666 . 1 . 1 58 58 GLU CA C 13 57.624 0.00 . 1 . . . . . 192 GLU CA . 53446 1 667 . 1 . 1 58 58 GLU CB C 13 29.845 0.12 . 1 . . . . . 192 GLU CB . 53446 1 668 . 1 . 1 58 58 GLU CG C 13 36.409 0.00 . 1 . . . . . 192 GLU CG . 53446 1 669 . 1 . 1 58 58 GLU N N 15 119.039 0.02 . 1 . . . . . 192 GLU N . 53446 1 670 . 1 . 1 59 59 MET H H 1 8.120 0.01 . 1 . . . . . 193 MET H . 53446 1 671 . 1 . 1 59 59 MET HA H 1 4.271 0.01 . 1 . . . . . 193 MET HA . 53446 1 672 . 1 . 1 59 59 MET HB2 H 1 1.953 0.01 . 2 . . . . . 193 MET QB . 53446 1 673 . 1 . 1 59 59 MET HB3 H 1 1.953 0.01 . 2 . . . . . 193 MET QB . 53446 1 674 . 1 . 1 59 59 MET HG2 H 1 2.504 0.00 . 1 . . . . . 193 MET HG2 . 53446 1 675 . 1 . 1 59 59 MET HG3 H 1 2.413 0.01 . 1 . . . . . 193 MET HG3 . 53446 1 676 . 1 . 1 59 59 MET C C 13 176.772 0.00 . 1 . . . . . 193 MET C . 53446 1 677 . 1 . 1 59 59 MET CA C 13 56.716 0.05 . 1 . . . . . 193 MET CA . 53446 1 678 . 1 . 1 59 59 MET CB C 13 32.676 0.15 . 1 . . . . . 193 MET CB . 53446 1 679 . 1 . 1 59 59 MET CG C 13 32.071 0.14 . 1 . . . . . 193 MET CG . 53446 1 680 . 1 . 1 59 59 MET N N 15 119.426 0.02 . 1 . . . . . 193 MET N . 53446 1 681 . 1 . 1 60 60 PHE H H 1 8.064 0.00 . 1 . . . . . 194 PHE H . 53446 1 682 . 1 . 1 60 60 PHE HA H 1 4.591 0.01 . 1 . . . . . 194 PHE HA . 53446 1 683 . 1 . 1 60 60 PHE HB2 H 1 3.169 0.05 . 1 . . . . . 194 PHE HB2 . 53446 1 684 . 1 . 1 60 60 PHE HB3 H 1 3.033 0.01 . 1 . . . . . 194 PHE HB3 . 53446 1 685 . 1 . 1 60 60 PHE C C 13 176.205 0.00 . 1 . . . . . 194 PHE C . 53446 1 686 . 1 . 1 60 60 PHE CA C 13 58.334 0.07 . 1 . . . . . 194 PHE CA . 53446 1 687 . 1 . 1 60 60 PHE CB C 13 39.379 0.05 . 1 . . . . . 194 PHE CB . 53446 1 688 . 1 . 1 60 60 PHE N N 15 119.742 0.07 . 1 . . . . . 194 PHE N . 53446 1 689 . 1 . 1 61 61 ALA H H 1 8.071 0.01 . 1 . . . . . 195 ALA H . 53446 1 690 . 1 . 1 61 61 ALA HA H 1 4.275 0.01 . 1 . . . . . 195 ALA HA . 53446 1 691 . 1 . 1 61 61 ALA HB1 H 1 1.419 0.01 . 1 . . . . . 195 ALA HB# . 53446 1 692 . 1 . 1 61 61 ALA HB2 H 1 1.419 0.01 . 1 . . . . . 195 ALA HB# . 53446 1 693 . 1 . 1 61 61 ALA HB3 H 1 1.419 0.01 . 1 . . . . . 195 ALA HB# . 53446 1 694 . 1 . 1 61 61 ALA C C 13 177.869 0.00 . 1 . . . . . 195 ALA C . 53446 1 695 . 1 . 1 61 61 ALA CA C 13 52.914 0.14 . 1 . . . . . 195 ALA CA . 53446 1 696 . 1 . 1 61 61 ALA CB C 13 19.196 0.04 . 1 . . . . . 195 ALA CB . 53446 1 697 . 1 . 1 61 61 ALA N N 15 124.028 0.03 . 1 . . . . . 195 ALA N . 53446 1 698 . 1 . 1 62 62 LYS H H 1 8.131 0.00 . 1 . . . . . 196 LYS H . 53446 1 699 . 1 . 1 62 62 LYS HA H 1 4.285 0.02 . 1 . . . . . 196 LYS HA . 53446 1 700 . 1 . 1 62 62 LYS HB2 H 1 1.832 0.00 . 2 . . . . . 196 LYS QB . 53446 1 701 . 1 . 1 62 62 LYS HB3 H 1 1.832 0.00 . 2 . . . . . 196 LYS QB . 53446 1 702 . 1 . 1 62 62 LYS HG2 H 1 1.493 0.01 . 2 . . . . . 196 LYS QG . 53446 1 703 . 1 . 1 62 62 LYS HG3 H 1 1.493 0.01 . 2 . . . . . 196 LYS QG . 53446 1 704 . 1 . 1 62 62 LYS HE2 H 1 3.025 0.01 . 2 . . . . . 196 LYS QE . 53446 1 705 . 1 . 1 62 62 LYS HE3 H 1 3.025 0.01 . 2 . . . . . 196 LYS QE . 53446 1 706 . 1 . 1 62 62 LYS C C 13 177.201 0.00 . 1 . . . . . 196 LYS C . 53446 1 707 . 1 . 1 62 62 LYS CA C 13 56.725 0.07 . 1 . . . . . 196 LYS CA . 53446 1 708 . 1 . 1 62 62 LYS CB C 13 32.857 0.11 . 1 . . . . . 196 LYS CB . 53446 1 709 . 1 . 1 62 62 LYS CG C 13 24.965 0.01 . 1 . . . . . 196 LYS CG . 53446 1 710 . 1 . 1 62 62 LYS CE C 13 42.229 0.00 . 1 . . . . . 196 LYS CE . 53446 1 711 . 1 . 1 62 62 LYS N N 15 119.396 0.03 . 1 . . . . . 196 LYS N . 53446 1 712 . 1 . 1 63 63 GLY H H 1 8.269 0.00 . 1 . . . . . 197 GLY H . 53446 1 713 . 1 . 1 63 63 GLY HA2 H 1 3.926 0.01 . 2 . . . . . 197 GLY QA . 53446 1 714 . 1 . 1 63 63 GLY HA3 H 1 3.926 0.01 . 2 . . . . . 197 GLY QA . 53446 1 715 . 1 . 1 63 63 GLY C C 13 173.807 0.00 . 1 . . . . . 197 GLY C . 53446 1 716 . 1 . 1 63 63 GLY CA C 13 45.291 0.11 . 1 . . . . . 197 GLY CA . 53446 1 717 . 1 . 1 63 63 GLY N N 15 109.316 0.04 . 1 . . . . . 197 GLY N . 53446 1 718 . 1 . 1 64 64 GLN H H 1 8.060 0.01 . 1 . . . . . 198 GLN H . 53446 1 719 . 1 . 1 64 64 GLN HA H 1 4.617 0.00 . 1 . . . . . 198 GLN HA . 53446 1 720 . 1 . 1 64 64 GLN HB2 H 1 2.081 0.01 . 1 . . . . . 198 GLN HB2 . 53446 1 721 . 1 . 1 64 64 GLN HB3 H 1 1.922 0.01 . 1 . . . . . 198 GLN HB3 . 53446 1 722 . 1 . 1 64 64 GLN HG2 H 1 2.335 0.01 . 2 . . . . . 198 GLN QG . 53446 1 723 . 1 . 1 64 64 GLN HG3 H 1 2.335 0.01 . 2 . . . . . 198 GLN QG . 53446 1 724 . 1 . 1 64 64 GLN CA C 13 53.569 0.06 . 1 . . . . . 198 GLN CA . 53446 1 725 . 1 . 1 64 64 GLN CB C 13 29.041 0.09 . 1 . . . . . 198 GLN CB . 53446 1 726 . 1 . 1 64 64 GLN CG C 13 33.493 0.00 . 1 . . . . . 198 GLN CG . 53446 1 727 . 1 . 1 64 64 GLN N N 15 120.458 0.07 . 1 . . . . . 198 GLN N . 53446 1 728 . 1 . 1 65 65 PRO HA H 1 4.432 0.00 . 1 . . . . . 199 PRO HA . 53446 1 729 . 1 . 1 65 65 PRO HB2 H 1 2.252 0.01 . 2 . . . . . 199 PRO QB . 53446 1 730 . 1 . 1 65 65 PRO HB3 H 1 2.252 0.01 . 2 . . . . . 199 PRO QB . 53446 1 731 . 1 . 1 65 65 PRO HG3 H 1 1.981 0.00 . 1 . . . . . 199 PRO HG3 . 53446 1 732 . 1 . 1 65 65 PRO HD2 H 1 3.736 0.05 . 1 . . . . . 199 PRO HD2 . 53446 1 733 . 1 . 1 65 65 PRO HD3 H 1 3.577 0.01 . 1 . . . . . 199 PRO HD3 . 53446 1 734 . 1 . 1 65 65 PRO C C 13 176.703 0.00 . 1 . . . . . 199 PRO C . 53446 1 735 . 1 . 1 65 65 PRO CA C 13 63.076 0.07 . 1 . . . . . 199 PRO CA . 53446 1 736 . 1 . 1 65 65 PRO CB C 13 32.053 0.02 . 1 . . . . . 199 PRO CB . 53446 1 737 . 1 . 1 65 65 PRO CG C 13 27.422 0.03 . 1 . . . . . 199 PRO CG . 53446 1 738 . 1 . 1 65 65 PRO CD C 13 50.449 0.09 . 1 . . . . . 199 PRO CD . 53446 1 739 . 1 . 1 66 66 VAL H H 1 8.161 0.00 . 1 . . . . . 200 VAL H . 53446 1 740 . 1 . 1 66 66 VAL HA H 1 4.059 0.00 . 1 . . . . . 200 VAL HA . 53446 1 741 . 1 . 1 66 66 VAL HB H 1 2.019 0.00 . 1 . . . . . 200 VAL HB . 53446 1 742 . 1 . 1 66 66 VAL HG11 H 1 0.924 0.01 . 2 . . . . . 200 VAL QG . 53446 1 743 . 1 . 1 66 66 VAL HG12 H 1 0.924 0.01 . 2 . . . . . 200 VAL QG . 53446 1 744 . 1 . 1 66 66 VAL HG13 H 1 0.924 0.01 . 2 . . . . . 200 VAL QG . 53446 1 745 . 1 . 1 66 66 VAL HG21 H 1 0.924 0.01 . 2 . . . . . 200 VAL QG . 53446 1 746 . 1 . 1 66 66 VAL HG22 H 1 0.924 0.01 . 2 . . . . . 200 VAL QG . 53446 1 747 . 1 . 1 66 66 VAL HG23 H 1 0.924 0.01 . 2 . . . . . 200 VAL QG . 53446 1 748 . 1 . 1 66 66 VAL C C 13 175.516 0.00 . 1 . . . . . 200 VAL C . 53446 1 749 . 1 . 1 66 66 VAL CA C 13 62.045 0.05 . 1 . . . . . 200 VAL CA . 53446 1 750 . 1 . 1 66 66 VAL CB C 13 32.935 0.06 . 1 . . . . . 200 VAL CB . 53446 1 751 . 1 . 1 66 66 VAL CG1 C 13 20.885 0.09 . 2 . . . . . 200 VAL CG# . 53446 1 752 . 1 . 1 66 66 VAL CG2 C 13 20.885 0.09 . 2 . . . . . 200 VAL CG# . 53446 1 753 . 1 . 1 66 66 VAL N N 15 120.335 0.05 . 1 . . . . . 200 VAL N . 53446 1 754 . 1 . 1 67 67 ALA H H 1 8.291 0.00 . 1 . . . . . 201 ALA H . 53446 1 755 . 1 . 1 67 67 ALA HA H 1 4.558 0.00 . 1 . . . . . 201 ALA HA . 53446 1 756 . 1 . 1 67 67 ALA HB1 H 1 1.288 0.01 . 1 . . . . . 201 ALA HB# . 53446 1 757 . 1 . 1 67 67 ALA HB2 H 1 1.288 0.01 . 1 . . . . . 201 ALA HB# . 53446 1 758 . 1 . 1 67 67 ALA HB3 H 1 1.288 0.01 . 1 . . . . . 201 ALA HB# . 53446 1 759 . 1 . 1 67 67 ALA CA C 13 50.237 0.18 . 1 . . . . . 201 ALA CA . 53446 1 760 . 1 . 1 67 67 ALA CB C 13 18.419 0.04 . 1 . . . . . 201 ALA CB . 53446 1 761 . 1 . 1 67 67 ALA N N 15 128.909 0.03 . 1 . . . . . 201 ALA N . 53446 1 762 . 1 . 1 68 68 PRO HA H 1 4.356 0.01 . 1 . . . . . 202 PRO HA . 53446 1 763 . 1 . 1 68 68 PRO HB2 H 1 2.202 0.01 . 1 . . . . . 202 PRO HB2 . 53446 1 764 . 1 . 1 68 68 PRO HB3 H 1 1.823 0.01 . 1 . . . . . 202 PRO HB3 . 53446 1 765 . 1 . 1 68 68 PRO HG2 H 1 1.946 0.04 . 2 . . . . . 202 PRO QG . 53446 1 766 . 1 . 1 68 68 PRO HG3 H 1 1.946 0.04 . 2 . . . . . 202 PRO QG . 53446 1 767 . 1 . 1 68 68 PRO HD3 H 1 3.589 0.01 . 1 . . . . . 202 PRO HD3 . 53446 1 768 . 1 . 1 68 68 PRO C C 13 176.654 0.00 . 1 . . . . . 202 PRO C . 53446 1 769 . 1 . 1 68 68 PRO CA C 13 63.127 0.06 . 1 . . . . . 202 PRO CA . 53446 1 770 . 1 . 1 68 68 PRO CB C 13 31.909 0.06 . 1 . . . . . 202 PRO CB . 53446 1 771 . 1 . 1 68 68 PRO CG C 13 27.408 0.08 . 1 . . . . . 202 PRO CG . 53446 1 772 . 1 . 1 68 68 PRO CD C 13 50.392 0.05 . 1 . . . . . 202 PRO CD . 53446 1 773 . 1 . 1 69 69 TYR H H 1 7.983 0.01 . 1 . . . . . 203 TYR H . 53446 1 774 . 1 . 1 69 69 TYR HA H 1 4.546 0.00 . 1 . . . . . 203 TYR HA . 53446 1 775 . 1 . 1 69 69 TYR HB2 H 1 3.010 0.01 . 2 . . . . . 203 TYR QB . 53446 1 776 . 1 . 1 69 69 TYR HB3 H 1 3.010 0.01 . 2 . . . . . 203 TYR QB . 53446 1 777 . 1 . 1 69 69 TYR C C 13 175.451 0.00 . 1 . . . . . 203 TYR C . 53446 1 778 . 1 . 1 69 69 TYR CA C 13 57.711 0.10 . 1 . . . . . 203 TYR CA . 53446 1 779 . 1 . 1 69 69 TYR CB C 13 38.700 0.10 . 1 . . . . . 203 TYR CB . 53446 1 780 . 1 . 1 69 69 TYR N N 15 119.461 0.08 . 1 . . . . . 203 TYR N . 53446 1 781 . 1 . 1 70 70 ASN H H 1 8.271 0.00 . 1 . . . . . 204 ASN H . 53446 1 782 . 1 . 1 70 70 ASN HA H 1 4.737 0.01 . 1 . . . . . 204 ASN HA . 53446 1 783 . 1 . 1 70 70 ASN HB2 H 1 2.801 0.00 . 1 . . . . . 204 ASN HB2 . 53446 1 784 . 1 . 1 70 70 ASN HB3 H 1 2.710 0.00 . 1 . . . . . 204 ASN HB3 . 53446 1 785 . 1 . 1 70 70 ASN C C 13 175.196 0.00 . 1 . . . . . 204 ASN C . 53446 1 786 . 1 . 1 70 70 ASN CA C 13 53.182 0.11 . 1 . . . . . 204 ASN CA . 53446 1 787 . 1 . 1 70 70 ASN CB C 13 39.011 0.12 . 1 . . . . . 204 ASN CB . 53446 1 788 . 1 . 1 70 70 ASN N N 15 120.397 0.06 . 1 . . . . . 204 ASN N . 53446 1 789 . 1 . 1 71 71 THR H H 1 8.099 0.00 . 1 . . . . . 205 THR H . 53446 1 790 . 1 . 1 71 71 THR HA H 1 4.344 0.01 . 1 . . . . . 205 THR HA . 53446 1 791 . 1 . 1 71 71 THR HB H 1 4.299 0.01 . 1 . . . . . 205 THR HB . 53446 1 792 . 1 . 1 71 71 THR HG21 H 1 1.197 0.00 . 1 . . . . . 205 THR QG2 . 53446 1 793 . 1 . 1 71 71 THR HG22 H 1 1.197 0.00 . 1 . . . . . 205 THR QG2 . 53446 1 794 . 1 . 1 71 71 THR HG23 H 1 1.197 0.00 . 1 . . . . . 205 THR QG2 . 53446 1 795 . 1 . 1 71 71 THR C C 13 174.869 0.00 . 1 . . . . . 205 THR C . 53446 1 796 . 1 . 1 71 71 THR CA C 13 62.136 0.07 . 1 . . . . . 205 THR CA . 53446 1 797 . 1 . 1 71 71 THR CB C 13 69.685 0.10 . 1 . . . . . 205 THR CB . 53446 1 798 . 1 . 1 71 71 THR CG2 C 13 21.608 0.05 . 1 . . . . . 205 THR CG2 . 53446 1 799 . 1 . 1 71 71 THR N N 15 114.026 0.06 . 1 . . . . . 205 THR N . 53446 1 800 . 1 . 1 72 72 THR H H 1 8.107 0.01 . 1 . . . . . 206 THR H . 53446 1 801 . 1 . 1 72 72 THR HA H 1 4.272 0.01 . 1 . . . . . 206 THR HA . 53446 1 802 . 1 . 1 72 72 THR HB H 1 4.173 0.00 . 1 . . . . . 206 THR HB . 53446 1 803 . 1 . 1 72 72 THR HG21 H 1 1.122 0.00 . 1 . . . . . 206 THR QG2 . 53446 1 804 . 1 . 1 72 72 THR HG22 H 1 1.122 0.00 . 1 . . . . . 206 THR QG2 . 53446 1 805 . 1 . 1 72 72 THR HG23 H 1 1.122 0.00 . 1 . . . . . 206 THR QG2 . 53446 1 806 . 1 . 1 72 72 THR C C 13 174.280 0.00 . 1 . . . . . 206 THR C . 53446 1 807 . 1 . 1 72 72 THR CA C 13 62.345 0.03 . 1 . . . . . 206 THR CA . 53446 1 808 . 1 . 1 72 72 THR CB C 13 69.679 0.11 . 1 . . . . . 206 THR CB . 53446 1 809 . 1 . 1 72 72 THR CG2 C 13 21.679 0.06 . 1 . . . . . 206 THR CG2 . 53446 1 810 . 1 . 1 72 72 THR N N 15 115.804 0.03 . 1 . . . . . 206 THR N . 53446 1 811 . 1 . 1 73 73 GLN H H 1 8.157 0.01 . 1 . . . . . 207 GLN H . 53446 1 812 . 1 . 1 73 73 GLN HA H 1 4.225 0.00 . 1 . . . . . 207 GLN HA . 53446 1 813 . 1 . 1 73 73 GLN HB2 H 1 1.876 0.00 . 1 . . . . . 207 GLN HB2 . 53446 1 814 . 1 . 1 73 73 GLN HB3 H 1 1.830 0.00 . 1 . . . . . 207 GLN HB3 . 53446 1 815 . 1 . 1 73 73 GLN HG2 H 1 2.114 0.01 . 2 . . . . . 207 GLN QG . 53446 1 816 . 1 . 1 73 73 GLN HG3 H 1 2.114 0.01 . 2 . . . . . 207 GLN QG . 53446 1 817 . 1 . 1 73 73 GLN C C 13 175.134 0.00 . 1 . . . . . 207 GLN C . 53446 1 818 . 1 . 1 73 73 GLN CA C 13 56.088 0.11 . 1 . . . . . 207 GLN CA . 53446 1 819 . 1 . 1 73 73 GLN CB C 13 30.066 0.23 . 1 . . . . . 207 GLN CB . 53446 1 820 . 1 . 1 73 73 GLN CG C 13 33.730 0.07 . 1 . . . . . 207 GLN CG . 53446 1 821 . 1 . 1 73 73 GLN N N 15 122.232 0.06 . 1 . . . . . 207 GLN N . 53446 1 822 . 1 . 1 74 74 PHE H H 1 8.161 0.01 . 1 . . . . . 208 PHE H . 53446 1 823 . 1 . 1 74 74 PHE HA H 1 4.669 0.00 . 1 . . . . . 208 PHE HA . 53446 1 824 . 1 . 1 74 74 PHE HB2 H 1 3.226 0.00 . 1 . . . . . 208 PHE HB2 . 53446 1 825 . 1 . 1 74 74 PHE HB3 H 1 2.937 0.01 . 1 . . . . . 208 PHE HB3 . 53446 1 826 . 1 . 1 74 74 PHE C C 13 174.607 0.00 . 1 . . . . . 208 PHE C . 53446 1 827 . 1 . 1 74 74 PHE CA C 13 57.517 0.13 . 1 . . . . . 208 PHE CA . 53446 1 828 . 1 . 1 74 74 PHE CB C 13 39.419 0.05 . 1 . . . . . 208 PHE CB . 53446 1 829 . 1 . 1 74 74 PHE N N 15 121.118 0.03 . 1 . . . . . 208 PHE N . 53446 1 830 . 1 . 1 75 75 LEU H H 1 7.742 0.00 . 1 . . . . . 209 LEU H . 53446 1 831 . 1 . 1 75 75 LEU HA H 1 4.193 0.01 . 1 . . . . . 209 LEU HA . 53446 1 832 . 1 . 1 75 75 LEU HB2 H 1 1.572 0.00 . 2 . . . . . 209 LEU QB . 53446 1 833 . 1 . 1 75 75 LEU HB3 H 1 1.572 0.00 . 2 . . . . . 209 LEU QB . 53446 1 834 . 1 . 1 75 75 LEU HG H 1 1.557 0.01 . 1 . . . . . 209 LEU HG . 53446 1 835 . 1 . 1 75 75 LEU HD11 H 1 0.862 0.01 . 2 . . . . . 209 LEU QD1 . 53446 1 836 . 1 . 1 75 75 LEU HD12 H 1 0.862 0.01 . 2 . . . . . 209 LEU QD1 . 53446 1 837 . 1 . 1 75 75 LEU HD13 H 1 0.862 0.01 . 2 . . . . . 209 LEU QD1 . 53446 1 838 . 1 . 1 75 75 LEU HD21 H 1 0.901 0.02 . 2 . . . . . 209 LEU QD2 . 53446 1 839 . 1 . 1 75 75 LEU HD22 H 1 0.901 0.02 . 2 . . . . . 209 LEU QD2 . 53446 1 840 . 1 . 1 75 75 LEU HD23 H 1 0.901 0.02 . 2 . . . . . 209 LEU QD2 . 53446 1 841 . 1 . 1 75 75 LEU CA C 13 56.870 0.11 . 1 . . . . . 209 LEU CA . 53446 1 842 . 1 . 1 75 75 LEU CB C 13 43.573 0.03 . 1 . . . . . 209 LEU CB . 53446 1 843 . 1 . 1 75 75 LEU CG C 13 27.247 0.02 . 1 . . . . . 209 LEU CG . 53446 1 844 . 1 . 1 75 75 LEU CD1 C 13 23.522 0.10 . 1 . . . . . 209 LEU CD1 . 53446 1 845 . 1 . 1 75 75 LEU CD2 C 13 25.280 0.00 . 1 . . . . . 209 LEU CD2 . 53446 1 846 . 1 . 1 75 75 LEU N N 15 128.708 0.03 . 1 . . . . . 209 LEU N . 53446 1 stop_ save_