data_18242 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18242 _Entry.Title ; Backbone and sidechain 1H, 15N and 13C assignments of NLRP10 (PYNOD) pyrin domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-07 _Entry.Accession_date 2012-02-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chung-I Chang . . . 18242 2 Chi-Fon Chang . . . 18242 3 Ming-Yuan Su . . . 18242 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18242 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 18242 '15N chemical shifts' 93 18242 '1H chemical shifts' 719 18242 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-26 2012-02-07 update BMRB 'update entry citation' 18242 1 . . 2012-06-05 2012-02-07 original author 'original release' 18242 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M5V 'BMRB Entry Tracking System' 18242 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18242 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22618865 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of the pyrin domain from human PYNOD.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 141 _Citation.Page_last 143 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ming-Yuan Su . . . 18242 1 2 Chung-I Chang . . . 18242 1 3 Chi-Fon Chang . . . 18242 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18242 _Assembly.ID 1 _Assembly.Name 'PYNOD PYD' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PYNOD PYD' 1 $PYNOD_PYD A . no native no no . . . 18242 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PYNOD_PYD _Entity.Sf_category entity _Entity.Sf_framecode PYNOD_PYD _Entity.Entry_ID 18242 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PYNOD_PYD _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 ; GAMAMAKARKPREALLWALS DLEENDFKKLKFYLRDMTLS EGQPPLARGELEGLIPVDLA ELLISKYGEKEAVKVVLKGL KVMNLLELVDQLSHICLHDY RE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M5V . "Three-dimensional Structure Of Human Nlrp10/pynod Pyrin Domain" . . . . . 100.00 102 100.00 100.00 8.43e-65 . . . . 18242 1 2 no GB AAI04958 . "NLR family, pyrin domain containing 10 [Homo sapiens]" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 3 no GB AAO18161 . "NALP10 [Homo sapiens]" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 4 no GB AAS67384 . "PYNOD [Homo sapiens]" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 5 no GB AIC53619 . "NLRP10, partial [synthetic construct]" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 6 no GB EAW68640 . "NACHT, leucine rich repeat and PYD containing 10 [Homo sapiens]" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 7 no REF NP_789791 . "NACHT, LRR and PYD domains-containing protein 10 [Homo sapiens]" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 8 no REF XP_003254944 . "PREDICTED: NACHT, LRR and PYD domains-containing protein 10 [Nomascus leucogenys]" . . . . . 98.04 693 98.00 98.00 1.89e-56 . . . . 18242 1 9 no REF XP_003313013 . "PREDICTED: LOW QUALITY PROTEIN: NACHT, LRR and PYD domains-containing protein 10 [Pan troglodytes]" . . . . . 98.04 705 98.00 98.00 1.77e-56 . . . . 18242 1 10 no REF XP_003818292 . "PREDICTED: NACHT, LRR and PYD domains-containing protein 10 [Pan paniscus]" . . . . . 98.04 705 98.00 99.00 6.37e-57 . . . . 18242 1 11 no REF XP_004050717 . "PREDICTED: NACHT, LRR and PYD domains-containing protein 10 [Gorilla gorilla gorilla]" . . . . . 98.04 705 99.00 99.00 2.85e-57 . . . . 18242 1 12 no SP Q86W26 . "RecName: Full=NACHT, LRR and PYD domains-containing protein 10; AltName: Full=Nucleotide-binding oligomerization domain protein" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 13 no TPG DAA01243 . "TPA_inf: NOD8 [Homo sapiens]" . . . . . 98.04 655 100.00 100.00 2.40e-58 . . . . 18242 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18242 1 2 . ALA . 18242 1 3 . MET . 18242 1 4 . ALA . 18242 1 5 . MET . 18242 1 6 . ALA . 18242 1 7 . LYS . 18242 1 8 . ALA . 18242 1 9 . ARG . 18242 1 10 . LYS . 18242 1 11 . PRO . 18242 1 12 . ARG . 18242 1 13 . GLU . 18242 1 14 . ALA . 18242 1 15 . LEU . 18242 1 16 . LEU . 18242 1 17 . TRP . 18242 1 18 . ALA . 18242 1 19 . LEU . 18242 1 20 . SER . 18242 1 21 . ASP . 18242 1 22 . LEU . 18242 1 23 . GLU . 18242 1 24 . GLU . 18242 1 25 . ASN . 18242 1 26 . ASP . 18242 1 27 . PHE . 18242 1 28 . LYS . 18242 1 29 . LYS . 18242 1 30 . LEU . 18242 1 31 . LYS . 18242 1 32 . PHE . 18242 1 33 . TYR . 18242 1 34 . LEU . 18242 1 35 . ARG . 18242 1 36 . ASP . 18242 1 37 . MET . 18242 1 38 . THR . 18242 1 39 . LEU . 18242 1 40 . SER . 18242 1 41 . GLU . 18242 1 42 . GLY . 18242 1 43 . GLN . 18242 1 44 . PRO . 18242 1 45 . PRO . 18242 1 46 . LEU . 18242 1 47 . ALA . 18242 1 48 . ARG . 18242 1 49 . GLY . 18242 1 50 . GLU . 18242 1 51 . LEU . 18242 1 52 . GLU . 18242 1 53 . GLY . 18242 1 54 . LEU . 18242 1 55 . ILE . 18242 1 56 . PRO . 18242 1 57 . VAL . 18242 1 58 . ASP . 18242 1 59 . LEU . 18242 1 60 . ALA . 18242 1 61 . GLU . 18242 1 62 . LEU . 18242 1 63 . LEU . 18242 1 64 . ILE . 18242 1 65 . SER . 18242 1 66 . LYS . 18242 1 67 . TYR . 18242 1 68 . GLY . 18242 1 69 . GLU . 18242 1 70 . LYS . 18242 1 71 . GLU . 18242 1 72 . ALA . 18242 1 73 . VAL . 18242 1 74 . LYS . 18242 1 75 . VAL . 18242 1 76 . VAL . 18242 1 77 . LEU . 18242 1 78 . LYS . 18242 1 79 . GLY . 18242 1 80 . LEU . 18242 1 81 . LYS . 18242 1 82 . VAL . 18242 1 83 . MET . 18242 1 84 . ASN . 18242 1 85 . LEU . 18242 1 86 . LEU . 18242 1 87 . GLU . 18242 1 88 . LEU . 18242 1 89 . VAL . 18242 1 90 . ASP . 18242 1 91 . GLN . 18242 1 92 . LEU . 18242 1 93 . SER . 18242 1 94 . HIS . 18242 1 95 . ILE . 18242 1 96 . CYS . 18242 1 97 . LEU . 18242 1 98 . HIS . 18242 1 99 . ASP . 18242 1 100 . TYR . 18242 1 101 . ARG . 18242 1 102 . GLU . 18242 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 18242 1 . ALA 2 2 18242 1 . MET 3 3 18242 1 . ALA 4 4 18242 1 . MET 5 5 18242 1 . ALA 6 6 18242 1 . LYS 7 7 18242 1 . ALA 8 8 18242 1 . ARG 9 9 18242 1 . LYS 10 10 18242 1 . PRO 11 11 18242 1 . ARG 12 12 18242 1 . GLU 13 13 18242 1 . ALA 14 14 18242 1 . LEU 15 15 18242 1 . LEU 16 16 18242 1 . TRP 17 17 18242 1 . ALA 18 18 18242 1 . LEU 19 19 18242 1 . SER 20 20 18242 1 . ASP 21 21 18242 1 . LEU 22 22 18242 1 . GLU 23 23 18242 1 . GLU 24 24 18242 1 . ASN 25 25 18242 1 . ASP 26 26 18242 1 . PHE 27 27 18242 1 . LYS 28 28 18242 1 . LYS 29 29 18242 1 . LEU 30 30 18242 1 . LYS 31 31 18242 1 . PHE 32 32 18242 1 . TYR 33 33 18242 1 . LEU 34 34 18242 1 . ARG 35 35 18242 1 . ASP 36 36 18242 1 . MET 37 37 18242 1 . THR 38 38 18242 1 . LEU 39 39 18242 1 . SER 40 40 18242 1 . GLU 41 41 18242 1 . GLY 42 42 18242 1 . GLN 43 43 18242 1 . PRO 44 44 18242 1 . PRO 45 45 18242 1 . LEU 46 46 18242 1 . ALA 47 47 18242 1 . ARG 48 48 18242 1 . GLY 49 49 18242 1 . GLU 50 50 18242 1 . LEU 51 51 18242 1 . GLU 52 52 18242 1 . GLY 53 53 18242 1 . LEU 54 54 18242 1 . ILE 55 55 18242 1 . PRO 56 56 18242 1 . VAL 57 57 18242 1 . ASP 58 58 18242 1 . LEU 59 59 18242 1 . ALA 60 60 18242 1 . GLU 61 61 18242 1 . LEU 62 62 18242 1 . LEU 63 63 18242 1 . ILE 64 64 18242 1 . SER 65 65 18242 1 . LYS 66 66 18242 1 . TYR 67 67 18242 1 . GLY 68 68 18242 1 . GLU 69 69 18242 1 . LYS 70 70 18242 1 . GLU 71 71 18242 1 . ALA 72 72 18242 1 . VAL 73 73 18242 1 . LYS 74 74 18242 1 . VAL 75 75 18242 1 . VAL 76 76 18242 1 . LEU 77 77 18242 1 . LYS 78 78 18242 1 . GLY 79 79 18242 1 . LEU 80 80 18242 1 . LYS 81 81 18242 1 . VAL 82 82 18242 1 . MET 83 83 18242 1 . ASN 84 84 18242 1 . LEU 85 85 18242 1 . LEU 86 86 18242 1 . GLU 87 87 18242 1 . LEU 88 88 18242 1 . VAL 89 89 18242 1 . ASP 90 90 18242 1 . GLN 91 91 18242 1 . LEU 92 92 18242 1 . SER 93 93 18242 1 . HIS 94 94 18242 1 . ILE 95 95 18242 1 . CYS 96 96 18242 1 . LEU 97 97 18242 1 . HIS 98 98 18242 1 . ASP 99 99 18242 1 . TYR 100 100 18242 1 . ARG 101 101 18242 1 . GLU 102 102 18242 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18242 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PYNOD_PYD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18242 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18242 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PYNOD_PYD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETM11 . . . . . . 18242 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18242 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PYNOD PYD' '[U-13C; U-15N]' . . 1 $PYNOD_PYD . . 0.2 . . mM . . . . 18242 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 18242 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 140 . mM 18242 1 pH 7.4 . pH 18242 1 pressure 1 . atm 18242 1 temperature 298 . K 18242 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18242 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18242 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18242 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18242 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18242 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18242 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18242 1 2 spectrometer_2 Bruker Avance . 800 . . . 18242 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18242 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 4 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 6 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 7 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 8 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 9 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 10 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 11 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 12 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 13 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18242 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18242 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CARA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18242 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18242 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18242 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18242 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18242 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.020 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 18242 1 2 '3D HNCACB' . . . 18242 1 3 '3D CBCA(CO)NH' . . . 18242 1 4 '3D C(CO)NH' . . . 18242 1 5 '3D HNCO' . . . 18242 1 6 '3D HNCA' . . . 18242 1 7 '3D HCCH-TOCSY' . . . 18242 1 10 '3D H(CCO)NH' . . . 18242 1 11 '3D 1H-15N TOCSY' . . . 18242 1 12 '3D HBHA(CO)NH' . . . 18242 1 13 '3D HN(CO)CA' . . . 18242 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.143 0.020 . 1 . . . . 2 ALA HA . 18242 1 2 . 1 1 2 2 ALA HB1 H 1 1.384 0.020 . 1 . . . . 2 ALA HB . 18242 1 3 . 1 1 2 2 ALA HB2 H 1 1.384 0.020 . 1 . . . . 2 ALA HB . 18242 1 4 . 1 1 2 2 ALA HB3 H 1 1.384 0.020 . 1 . . . . 2 ALA HB . 18242 1 5 . 1 1 2 2 ALA C C 13 177.327 0.3 . 1 . . . . 2 ALA C . 18242 1 6 . 1 1 2 2 ALA CA C 13 52.247 0.3 . 1 . . . . 2 ALA CA . 18242 1 7 . 1 1 2 2 ALA CB C 13 19.233 0.3 . 1 . . . . 2 ALA CB . 18242 1 8 . 1 1 3 3 MET H H 1 8.296 0.020 . 1 . . . . 3 MET H . 18242 1 9 . 1 1 3 3 MET HA H 1 4.311 0.020 . 1 . . . . 3 MET HA . 18242 1 10 . 1 1 3 3 MET HB2 H 1 1.942 0.020 . 1 . . . . 3 MET HB2 . 18242 1 11 . 1 1 3 3 MET HB3 H 1 1.942 0.020 . 1 . . . . 3 MET HB3 . 18242 1 12 . 1 1 3 3 MET HG2 H 1 2.460 0.020 . 1 . . . . 3 MET HG2 . 18242 1 13 . 1 1 3 3 MET HG3 H 1 2.460 0.020 . 1 . . . . 3 MET HG3 . 18242 1 14 . 1 1 3 3 MET HE1 H 1 2.079 0.020 . 1 . . . . 3 MET HE . 18242 1 15 . 1 1 3 3 MET HE2 H 1 2.079 0.020 . 1 . . . . 3 MET HE . 18242 1 16 . 1 1 3 3 MET HE3 H 1 2.079 0.020 . 1 . . . . 3 MET HE . 18242 1 17 . 1 1 3 3 MET C C 13 176.089 0.3 . 1 . . . . 3 MET C . 18242 1 18 . 1 1 3 3 MET CA C 13 55.592 0.3 . 1 . . . . 3 MET CA . 18242 1 19 . 1 1 3 3 MET CB C 13 32.524 0.3 . 1 . . . . 3 MET CB . 18242 1 20 . 1 1 3 3 MET CG C 13 31.913 0.3 . 1 . . . . 3 MET CG . 18242 1 21 . 1 1 3 3 MET N N 15 120.147 0.3 . 1 . . . . 3 MET N . 18242 1 22 . 1 1 4 4 ALA H H 1 8.252 0.020 . 1 . . . . 4 ALA H . 18242 1 23 . 1 1 4 4 ALA HA H 1 4.198 0.020 . 1 . . . . 4 ALA HA . 18242 1 24 . 1 1 4 4 ALA HB1 H 1 1.312 0.020 . 1 . . . . 4 ALA HB . 18242 1 25 . 1 1 4 4 ALA HB2 H 1 1.312 0.020 . 1 . . . . 4 ALA HB . 18242 1 26 . 1 1 4 4 ALA HB3 H 1 1.312 0.020 . 1 . . . . 4 ALA HB . 18242 1 27 . 1 1 4 4 ALA C C 13 177.808 0.3 . 1 . . . . 4 ALA C . 18242 1 28 . 1 1 4 4 ALA CA C 13 52.625 0.3 . 1 . . . . 4 ALA CA . 18242 1 29 . 1 1 4 4 ALA CB C 13 18.872 0.3 . 1 . . . . 4 ALA CB . 18242 1 30 . 1 1 4 4 ALA N N 15 125.296 0.3 . 1 . . . . 4 ALA N . 18242 1 31 . 1 1 5 5 MET H H 1 8.179 0.020 . 1 . . . . 5 MET H . 18242 1 32 . 1 1 5 5 MET HA H 1 4.249 0.020 . 1 . . . . 5 MET HA . 18242 1 33 . 1 1 5 5 MET HB2 H 1 1.909 0.020 . 1 . . . . 5 MET HB2 . 18242 1 34 . 1 1 5 5 MET HB3 H 1 1.909 0.020 . 1 . . . . 5 MET HB3 . 18242 1 35 . 1 1 5 5 MET HG2 H 1 2.462 0.020 . 1 . . . . 5 MET HG2 . 18242 1 36 . 1 1 5 5 MET HG3 H 1 2.462 0.020 . 1 . . . . 5 MET HG3 . 18242 1 37 . 1 1 5 5 MET HE1 H 1 1.969 0.020 . 1 . . . . 5 MET HE . 18242 1 38 . 1 1 5 5 MET HE2 H 1 1.969 0.020 . 1 . . . . 5 MET HE . 18242 1 39 . 1 1 5 5 MET HE3 H 1 1.969 0.020 . 1 . . . . 5 MET HE . 18242 1 40 . 1 1 5 5 MET C C 13 176.178 0.3 . 1 . . . . 5 MET C . 18242 1 41 . 1 1 5 5 MET CA C 13 55.599 0.3 . 1 . . . . 5 MET CA . 18242 1 42 . 1 1 5 5 MET CB C 13 32.620 0.3 . 1 . . . . 5 MET CB . 18242 1 43 . 1 1 5 5 MET CG C 13 31.959 0.3 . 1 . . . . 5 MET CG . 18242 1 44 . 1 1 5 5 MET CE C 13 16.939 0.3 . 1 . . . . 5 MET CE . 18242 1 45 . 1 1 5 5 MET N N 15 119.400 0.3 . 1 . . . . 5 MET N . 18242 1 46 . 1 1 6 6 ALA H H 1 8.081 0.020 . 1 . . . . 6 ALA H . 18242 1 47 . 1 1 6 6 ALA HA H 1 4.278 0.020 . 1 . . . . 6 ALA HA . 18242 1 48 . 1 1 6 6 ALA HB1 H 1 1.358 0.020 . 1 . . . . 6 ALA HB . 18242 1 49 . 1 1 6 6 ALA HB2 H 1 1.358 0.020 . 1 . . . . 6 ALA HB . 18242 1 50 . 1 1 6 6 ALA HB3 H 1 1.358 0.020 . 1 . . . . 6 ALA HB . 18242 1 51 . 1 1 6 6 ALA C C 13 174.753 0.3 . 1 . . . . 6 ALA C . 18242 1 52 . 1 1 6 6 ALA CA C 13 52.612 0.3 . 1 . . . . 6 ALA CA . 18242 1 53 . 1 1 6 6 ALA CB C 13 18.951 0.3 . 1 . . . . 6 ALA CB . 18242 1 54 . 1 1 6 6 ALA N N 15 124.270 0.3 . 1 . . . . 6 ALA N . 18242 1 55 . 1 1 7 7 LYS H H 1 8.443 0.020 . 1 . . . . 7 LYS H . 18242 1 56 . 1 1 7 7 LYS HA H 1 4.131 0.020 . 1 . . . . 7 LYS HA . 18242 1 57 . 1 1 7 7 LYS HB2 H 1 1.684 0.020 . 1 . . . . 7 LYS HB2 . 18242 1 58 . 1 1 7 7 LYS HB3 H 1 1.684 0.020 . 1 . . . . 7 LYS HB3 . 18242 1 59 . 1 1 7 7 LYS HG2 H 1 1.327 0.020 . 1 . . . . 7 LYS HG2 . 18242 1 60 . 1 1 7 7 LYS HG3 H 1 1.327 0.020 . 1 . . . . 7 LYS HG3 . 18242 1 61 . 1 1 7 7 LYS HD2 H 1 1.744 0.020 . 1 . . . . 7 LYS HD2 . 18242 1 62 . 1 1 7 7 LYS HD3 H 1 1.744 0.020 . 1 . . . . 7 LYS HD3 . 18242 1 63 . 1 1 7 7 LYS HE2 H 1 2.993 0.020 . 1 . . . . 7 LYS HE2 . 18242 1 64 . 1 1 7 7 LYS HE3 H 1 2.993 0.020 . 1 . . . . 7 LYS HE3 . 18242 1 65 . 1 1 7 7 LYS C C 13 175.948 0.3 . 1 . . . . 7 LYS C . 18242 1 66 . 1 1 7 7 LYS CA C 13 55.875 0.3 . 1 . . . . 7 LYS CA . 18242 1 67 . 1 1 7 7 LYS CB C 13 33.043 0.3 . 1 . . . . 7 LYS CB . 18242 1 68 . 1 1 7 7 LYS CG C 13 24.692 0.3 . 1 . . . . 7 LYS CG . 18242 1 69 . 1 1 7 7 LYS CD C 13 28.976 0.3 . 1 . . . . 7 LYS CD . 18242 1 70 . 1 1 7 7 LYS CE C 13 44.294 0.3 . 1 . . . . 7 LYS CE . 18242 1 71 . 1 1 7 7 LYS N N 15 119.797 0.3 . 1 . . . . 7 LYS N . 18242 1 72 . 1 1 8 8 ALA H H 1 7.994 0.020 . 1 . . . . 8 ALA H . 18242 1 73 . 1 1 8 8 ALA HA H 1 4.244 0.020 . 1 . . . . 8 ALA HA . 18242 1 74 . 1 1 8 8 ALA HB1 H 1 1.266 0.020 . 1 . . . . 8 ALA HB . 18242 1 75 . 1 1 8 8 ALA HB2 H 1 1.266 0.020 . 1 . . . . 8 ALA HB . 18242 1 76 . 1 1 8 8 ALA HB3 H 1 1.266 0.020 . 1 . . . . 8 ALA HB . 18242 1 77 . 1 1 8 8 ALA C C 13 177.114 0.3 . 1 . . . . 8 ALA C . 18242 1 78 . 1 1 8 8 ALA CA C 13 52.107 0.3 . 1 . . . . 8 ALA CA . 18242 1 79 . 1 1 8 8 ALA CB C 13 18.955 0.3 . 1 . . . . 8 ALA CB . 18242 1 80 . 1 1 8 8 ALA N N 15 124.139 0.3 . 1 . . . . 8 ALA N . 18242 1 81 . 1 1 9 9 ARG H H 1 8.231 0.020 . 1 . . . . 9 ARG H . 18242 1 82 . 1 1 9 9 ARG HA H 1 4.382 0.020 . 1 . . . . 9 ARG HA . 18242 1 83 . 1 1 9 9 ARG HB2 H 1 1.790 0.020 . 2 . . . . 9 ARG HB2 . 18242 1 84 . 1 1 9 9 ARG HB3 H 1 1.643 0.020 . 2 . . . . 9 ARG HB3 . 18242 1 85 . 1 1 9 9 ARG HG2 H 1 1.592 0.020 . 1 . . . . 9 ARG HG2 . 18242 1 86 . 1 1 9 9 ARG HG3 H 1 1.592 0.020 . 1 . . . . 9 ARG HG3 . 18242 1 87 . 1 1 9 9 ARG HD2 H 1 2.966 0.020 . 1 . . . . 9 ARG HD2 . 18242 1 88 . 1 1 9 9 ARG HD3 H 1 2.966 0.020 . 1 . . . . 9 ARG HD3 . 18242 1 89 . 1 1 9 9 ARG C C 13 176.062 0.3 . 1 . . . . 9 ARG C . 18242 1 90 . 1 1 9 9 ARG CA C 13 55.619 0.3 . 1 . . . . 9 ARG CA . 18242 1 91 . 1 1 9 9 ARG CB C 13 32.004 0.3 . 1 . . . . 9 ARG CB . 18242 1 92 . 1 1 9 9 ARG CG C 13 27.481 0.3 . 1 . . . . 9 ARG CG . 18242 1 93 . 1 1 9 9 ARG CD C 13 41.319 0.3 . 1 . . . . 9 ARG CD . 18242 1 94 . 1 1 9 9 ARG N N 15 119.645 0.3 . 1 . . . . 9 ARG N . 18242 1 95 . 1 1 10 10 LYS H H 1 8.409 0.020 . 1 . . . . 10 LYS H . 18242 1 96 . 1 1 10 10 LYS HA H 1 4.588 0.020 . 1 . . . . 10 LYS HA . 18242 1 97 . 1 1 10 10 LYS HB2 H 1 2.174 0.020 . 2 . . . . 10 LYS HB2 . 18242 1 98 . 1 1 10 10 LYS HB3 H 1 1.897 0.020 . 2 . . . . 10 LYS HB3 . 18242 1 99 . 1 1 10 10 LYS HG2 H 1 1.496 0.020 . 1 . . . . 10 LYS HG2 . 18242 1 100 . 1 1 10 10 LYS HG3 H 1 1.496 0.020 . 1 . . . . 10 LYS HG3 . 18242 1 101 . 1 1 10 10 LYS HD2 H 1 1.746 0.020 . 1 . . . . 10 LYS HD2 . 18242 1 102 . 1 1 10 10 LYS HD3 H 1 1.746 0.020 . 1 . . . . 10 LYS HD3 . 18242 1 103 . 1 1 10 10 LYS HE2 H 1 3.045 0.020 . 1 . . . . 10 LYS HE2 . 18242 1 104 . 1 1 10 10 LYS HE3 H 1 3.045 0.020 . 1 . . . . 10 LYS HE3 . 18242 1 105 . 1 1 10 10 LYS C C 13 175.241 0.3 . 1 . . . . 10 LYS C . 18242 1 106 . 1 1 10 10 LYS CA C 13 54.677 0.3 . 1 . . . . 10 LYS CA . 18242 1 107 . 1 1 10 10 LYS CB C 13 31.822 0.3 . 1 . . . . 10 LYS CB . 18242 1 108 . 1 1 10 10 LYS CG C 13 24.598 0.3 . 1 . . . . 10 LYS CG . 18242 1 109 . 1 1 10 10 LYS CD C 13 26.787 0.3 . 1 . . . . 10 LYS CD . 18242 1 110 . 1 1 10 10 LYS CE C 13 42.304 0.3 . 1 . . . . 10 LYS CE . 18242 1 111 . 1 1 10 10 LYS N N 15 121.313 0.3 . 1 . . . . 10 LYS N . 18242 1 112 . 1 1 11 11 PRO HA H 1 4.100 0.020 . 1 . . . . 11 PRO HA . 18242 1 113 . 1 1 11 11 PRO HB2 H 1 2.177 0.020 . 2 . . . . 11 PRO HB2 . 18242 1 114 . 1 1 11 11 PRO HB3 H 1 1.906 0.020 . 2 . . . . 11 PRO HB3 . 18242 1 115 . 1 1 11 11 PRO HG2 H 1 1.780 0.020 . 1 . . . . 11 PRO HG2 . 18242 1 116 . 1 1 11 11 PRO HG3 H 1 1.780 0.020 . 1 . . . . 11 PRO HG3 . 18242 1 117 . 1 1 11 11 PRO HD2 H 1 3.836 0.020 . 1 . . . . 11 PRO HD2 . 18242 1 118 . 1 1 11 11 PRO HD3 H 1 3.836 0.020 . 1 . . . . 11 PRO HD3 . 18242 1 119 . 1 1 11 11 PRO CA C 13 66.813 0.3 . 1 . . . . 11 PRO CA . 18242 1 120 . 1 1 11 11 PRO CB C 13 31.860 0.3 . 1 . . . . 11 PRO CB . 18242 1 121 . 1 1 11 11 PRO CG C 13 27.781 0.3 . 1 . . . . 11 PRO CG . 18242 1 122 . 1 1 11 11 PRO CD C 13 50.560 0.3 . 1 . . . . 11 PRO CD . 18242 1 123 . 1 1 12 12 ARG H H 1 8.920 0.020 . 1 . . . . 12 ARG H . 18242 1 124 . 1 1 12 12 ARG HA H 1 3.763 0.020 . 1 . . . . 12 ARG HA . 18242 1 125 . 1 1 12 12 ARG HB2 H 1 1.874 0.020 . 2 . . . . 12 ARG HB2 . 18242 1 126 . 1 1 12 12 ARG HB3 H 1 1.710 0.020 . 2 . . . . 12 ARG HB3 . 18242 1 127 . 1 1 12 12 ARG HG2 H 1 1.433 0.020 . 1 . . . . 12 ARG HG2 . 18242 1 128 . 1 1 12 12 ARG HG3 H 1 1.433 0.020 . 1 . . . . 12 ARG HG3 . 18242 1 129 . 1 1 12 12 ARG HD2 H 1 3.202 0.020 . 1 . . . . 12 ARG HD2 . 18242 1 130 . 1 1 12 12 ARG HD3 H 1 3.202 0.020 . 1 . . . . 12 ARG HD3 . 18242 1 131 . 1 1 12 12 ARG C C 13 177.492 0.3 . 1 . . . . 12 ARG C . 18242 1 132 . 1 1 12 12 ARG CA C 13 60.352 0.3 . 1 . . . . 12 ARG CA . 18242 1 133 . 1 1 12 12 ARG CB C 13 29.917 0.3 . 1 . . . . 12 ARG CB . 18242 1 134 . 1 1 12 12 ARG CG C 13 27.781 0.3 . 1 . . . . 12 ARG CG . 18242 1 135 . 1 1 12 12 ARG CD C 13 42.901 0.3 . 1 . . . . 12 ARG CD . 18242 1 136 . 1 1 12 12 ARG N N 15 115.834 0.3 . 1 . . . . 12 ARG N . 18242 1 137 . 1 1 13 13 GLU H H 1 7.230 0.020 . 1 . . . . 13 GLU H . 18242 1 138 . 1 1 13 13 GLU HA H 1 3.994 0.020 . 1 . . . . 13 GLU HA . 18242 1 139 . 1 1 13 13 GLU HB2 H 1 2.201 0.020 . 1 . . . . 13 GLU HB2 . 18242 1 140 . 1 1 13 13 GLU HB3 H 1 2.201 0.020 . 1 . . . . 13 GLU HB3 . 18242 1 141 . 1 1 13 13 GLU HG2 H 1 2.320 0.020 . 1 . . . . 13 GLU HG2 . 18242 1 142 . 1 1 13 13 GLU HG3 H 1 2.320 0.020 . 1 . . . . 13 GLU HG3 . 18242 1 143 . 1 1 13 13 GLU C C 13 179.087 0.3 . 1 . . . . 13 GLU C . 18242 1 144 . 1 1 13 13 GLU CA C 13 58.992 0.3 . 1 . . . . 13 GLU CA . 18242 1 145 . 1 1 13 13 GLU CB C 13 29.688 0.3 . 1 . . . . 13 GLU CB . 18242 1 146 . 1 1 13 13 GLU CG C 13 36.933 0.3 . 1 . . . . 13 GLU CG . 18242 1 147 . 1 1 13 13 GLU N N 15 117.039 0.3 . 1 . . . . 13 GLU N . 18242 1 148 . 1 1 14 14 ALA H H 1 8.524 0.020 . 1 . . . . 14 ALA H . 18242 1 149 . 1 1 14 14 ALA HA H 1 4.090 0.020 . 1 . . . . 14 ALA HA . 18242 1 150 . 1 1 14 14 ALA HB1 H 1 1.406 0.020 . 1 . . . . 14 ALA HB . 18242 1 151 . 1 1 14 14 ALA HB2 H 1 1.406 0.020 . 1 . . . . 14 ALA HB . 18242 1 152 . 1 1 14 14 ALA HB3 H 1 1.406 0.020 . 1 . . . . 14 ALA HB . 18242 1 153 . 1 1 14 14 ALA C C 13 178.904 0.3 . 1 . . . . 14 ALA C . 18242 1 154 . 1 1 14 14 ALA CA C 13 55.113 0.3 . 1 . . . . 14 ALA CA . 18242 1 155 . 1 1 14 14 ALA CB C 13 18.781 0.3 . 1 . . . . 14 ALA CB . 18242 1 156 . 1 1 14 14 ALA N N 15 122.980 0.3 . 1 . . . . 14 ALA N . 18242 1 157 . 1 1 15 15 LEU H H 1 8.453 0.020 . 1 . . . . 15 LEU H . 18242 1 158 . 1 1 15 15 LEU HA H 1 3.996 0.020 . 1 . . . . 15 LEU HA . 18242 1 159 . 1 1 15 15 LEU HB2 H 1 1.755 0.020 . 1 . . . . 15 LEU HB2 . 18242 1 160 . 1 1 15 15 LEU HB3 H 1 1.755 0.020 . 1 . . . . 15 LEU HB3 . 18242 1 161 . 1 1 15 15 LEU HG H 1 1.652 0.020 . 1 . . . . 15 LEU HG . 18242 1 162 . 1 1 15 15 LEU HD11 H 1 0.927 0.020 . 2 . . . . 15 LEU HD1 . 18242 1 163 . 1 1 15 15 LEU HD12 H 1 0.927 0.020 . 2 . . . . 15 LEU HD1 . 18242 1 164 . 1 1 15 15 LEU HD13 H 1 0.927 0.020 . 2 . . . . 15 LEU HD1 . 18242 1 165 . 1 1 15 15 LEU HD21 H 1 0.865 0.020 . 2 . . . . 15 LEU HD2 . 18242 1 166 . 1 1 15 15 LEU HD22 H 1 0.865 0.020 . 2 . . . . 15 LEU HD2 . 18242 1 167 . 1 1 15 15 LEU HD23 H 1 0.865 0.020 . 2 . . . . 15 LEU HD2 . 18242 1 168 . 1 1 15 15 LEU C C 13 177.984 0.3 . 1 . . . . 15 LEU C . 18242 1 169 . 1 1 15 15 LEU CA C 13 58.008 0.3 . 1 . . . . 15 LEU CA . 18242 1 170 . 1 1 15 15 LEU CB C 13 42.156 0.3 . 1 . . . . 15 LEU CB . 18242 1 171 . 1 1 15 15 LEU CG C 13 25.663 0.3 . 1 . . . . 15 LEU CG . 18242 1 172 . 1 1 15 15 LEU CD1 C 13 24.451 0.3 . 1 . . . . 15 LEU CD1 . 18242 1 173 . 1 1 15 15 LEU CD2 C 13 24.350 0.3 . 1 . . . . 15 LEU CD2 . 18242 1 174 . 1 1 15 15 LEU N N 15 117.738 0.3 . 1 . . . . 15 LEU N . 18242 1 175 . 1 1 16 16 LEU H H 1 8.012 0.020 . 1 . . . . 16 LEU H . 18242 1 176 . 1 1 16 16 LEU HA H 1 3.815 0.020 . 1 . . . . 16 LEU HA . 18242 1 177 . 1 1 16 16 LEU HB2 H 1 1.689 0.020 . 1 . . . . 16 LEU HB2 . 18242 1 178 . 1 1 16 16 LEU HB3 H 1 1.689 0.020 . 1 . . . . 16 LEU HB3 . 18242 1 179 . 1 1 16 16 LEU HG H 1 1.644 0.020 . 1 . . . . 16 LEU HG . 18242 1 180 . 1 1 16 16 LEU HD11 H 1 0.899 0.020 . 2 . . . . 16 LEU HD1 . 18242 1 181 . 1 1 16 16 LEU HD12 H 1 0.899 0.020 . 2 . . . . 16 LEU HD1 . 18242 1 182 . 1 1 16 16 LEU HD13 H 1 0.899 0.020 . 2 . . . . 16 LEU HD1 . 18242 1 183 . 1 1 16 16 LEU HD21 H 1 0.863 0.020 . 2 . . . . 16 LEU HD2 . 18242 1 184 . 1 1 16 16 LEU HD22 H 1 0.863 0.020 . 2 . . . . 16 LEU HD2 . 18242 1 185 . 1 1 16 16 LEU HD23 H 1 0.863 0.020 . 2 . . . . 16 LEU HD2 . 18242 1 186 . 1 1 16 16 LEU C C 13 179.450 0.3 . 1 . . . . 16 LEU C . 18242 1 187 . 1 1 16 16 LEU CA C 13 58.338 0.3 . 1 . . . . 16 LEU CA . 18242 1 188 . 1 1 16 16 LEU CB C 13 41.642 0.3 . 1 . . . . 16 LEU CB . 18242 1 189 . 1 1 16 16 LEU CG C 13 27.682 0.3 . 1 . . . . 16 LEU CG . 18242 1 190 . 1 1 16 16 LEU CD1 C 13 24.499 0.3 . 1 . . . . 16 LEU CD1 . 18242 1 191 . 1 1 16 16 LEU CD2 C 13 24.698 0.3 . 1 . . . . 16 LEU CD2 . 18242 1 192 . 1 1 16 16 LEU N N 15 118.082 0.3 . 1 . . . . 16 LEU N . 18242 1 193 . 1 1 17 17 TRP H H 1 8.307 0.020 . 1 . . . . 17 TRP H . 18242 1 194 . 1 1 17 17 TRP HA H 1 4.057 0.020 . 1 . . . . 17 TRP HA . 18242 1 195 . 1 1 17 17 TRP HB2 H 1 3.493 0.020 . 2 . . . . 17 TRP HB2 . 18242 1 196 . 1 1 17 17 TRP HB3 H 1 3.303 0.020 . 2 . . . . 17 TRP HB3 . 18242 1 197 . 1 1 17 17 TRP C C 13 177.635 0.3 . 1 . . . . 17 TRP C . 18242 1 198 . 1 1 17 17 TRP CA C 13 60.963 0.3 . 1 . . . . 17 TRP CA . 18242 1 199 . 1 1 17 17 TRP CB C 13 28.021 0.3 . 1 . . . . 17 TRP CB . 18242 1 200 . 1 1 17 17 TRP N N 15 121.125 0.3 . 1 . . . . 17 TRP N . 18242 1 201 . 1 1 18 18 ALA H H 1 8.346 0.020 . 1 . . . . 18 ALA H . 18242 1 202 . 1 1 18 18 ALA HA H 1 3.255 0.020 . 1 . . . . 18 ALA HA . 18242 1 203 . 1 1 18 18 ALA HB1 H 1 1.365 0.020 . 1 . . . . 18 ALA HB . 18242 1 204 . 1 1 18 18 ALA HB2 H 1 1.365 0.020 . 1 . . . . 18 ALA HB . 18242 1 205 . 1 1 18 18 ALA HB3 H 1 1.365 0.020 . 1 . . . . 18 ALA HB . 18242 1 206 . 1 1 18 18 ALA C C 13 178.770 0.3 . 1 . . . . 18 ALA C . 18242 1 207 . 1 1 18 18 ALA CA C 13 54.960 0.3 . 1 . . . . 18 ALA CA . 18242 1 208 . 1 1 18 18 ALA CB C 13 18.724 0.3 . 1 . . . . 18 ALA CB . 18242 1 209 . 1 1 18 18 ALA N N 15 120.871 0.3 . 1 . . . . 18 ALA N . 18242 1 210 . 1 1 19 19 LEU H H 1 8.070 0.020 . 1 . . . . 19 LEU H . 18242 1 211 . 1 1 19 19 LEU HA H 1 4.004 0.020 . 1 . . . . 19 LEU HA . 18242 1 212 . 1 1 19 19 LEU HB2 H 1 1.872 0.020 . 2 . . . . 19 LEU HB2 . 18242 1 213 . 1 1 19 19 LEU HB3 H 1 1.266 0.020 . 2 . . . . 19 LEU HB3 . 18242 1 214 . 1 1 19 19 LEU HG H 1 2.091 0.020 . 1 . . . . 19 LEU HG . 18242 1 215 . 1 1 19 19 LEU HD11 H 1 0.895 0.020 . 2 . . . . 19 LEU HD1 . 18242 1 216 . 1 1 19 19 LEU HD12 H 1 0.895 0.020 . 2 . . . . 19 LEU HD1 . 18242 1 217 . 1 1 19 19 LEU HD13 H 1 0.895 0.020 . 2 . . . . 19 LEU HD1 . 18242 1 218 . 1 1 19 19 LEU HD21 H 1 0.871 0.020 . 2 . . . . 19 LEU HD2 . 18242 1 219 . 1 1 19 19 LEU HD22 H 1 0.871 0.020 . 2 . . . . 19 LEU HD2 . 18242 1 220 . 1 1 19 19 LEU HD23 H 1 0.871 0.020 . 2 . . . . 19 LEU HD2 . 18242 1 221 . 1 1 19 19 LEU C C 13 178.812 0.3 . 1 . . . . 19 LEU C . 18242 1 222 . 1 1 19 19 LEU CA C 13 56.988 0.3 . 1 . . . . 19 LEU CA . 18242 1 223 . 1 1 19 19 LEU CB C 13 42.569 0.3 . 1 . . . . 19 LEU CB . 18242 1 224 . 1 1 19 19 LEU CG C 13 26.090 0.3 . 1 . . . . 19 LEU CG . 18242 1 225 . 1 1 19 19 LEU CD1 C 13 23.604 0.3 . 1 . . . . 19 LEU CD1 . 18242 1 226 . 1 1 19 19 LEU CD2 C 13 23.803 0.3 . 1 . . . . 19 LEU CD2 . 18242 1 227 . 1 1 19 19 LEU N N 15 111.306 0.3 . 1 . . . . 19 LEU N . 18242 1 228 . 1 1 20 20 SER H H 1 7.739 0.020 . 1 . . . . 20 SER H . 18242 1 229 . 1 1 20 20 SER HA H 1 3.969 0.020 . 1 . . . . 20 SER HA . 18242 1 230 . 1 1 20 20 SER HB2 H 1 3.773 0.020 . 1 . . . . 20 SER HB2 . 18242 1 231 . 1 1 20 20 SER HB3 H 1 3.773 0.020 . 1 . . . . 20 SER HB3 . 18242 1 232 . 1 1 20 20 SER C C 13 173.656 0.3 . 1 . . . . 20 SER C . 18242 1 233 . 1 1 20 20 SER CA C 13 60.752 0.3 . 1 . . . . 20 SER CA . 18242 1 234 . 1 1 20 20 SER CB C 13 63.043 0.3 . 1 . . . . 20 SER CB . 18242 1 235 . 1 1 20 20 SER N N 15 111.980 0.3 . 1 . . . . 20 SER N . 18242 1 236 . 1 1 21 21 ASP H H 1 7.344 0.020 . 1 . . . . 21 ASP H . 18242 1 237 . 1 1 21 21 ASP HA H 1 4.442 0.020 . 1 . . . . 21 ASP HA . 18242 1 238 . 1 1 21 21 ASP HB2 H 1 2.269 0.020 . 2 . . . . 21 ASP HB2 . 18242 1 239 . 1 1 21 21 ASP HB3 H 1 1.994 0.020 . 2 . . . . 21 ASP HB3 . 18242 1 240 . 1 1 21 21 ASP C C 13 176.554 0.3 . 1 . . . . 21 ASP C . 18242 1 241 . 1 1 21 21 ASP CA C 13 54.744 0.3 . 1 . . . . 21 ASP CA . 18242 1 242 . 1 1 21 21 ASP CB C 13 42.148 0.3 . 1 . . . . 21 ASP CB . 18242 1 243 . 1 1 21 21 ASP N N 15 121.192 0.3 . 1 . . . . 21 ASP N . 18242 1 244 . 1 1 22 22 LEU H H 1 6.545 0.020 . 1 . . . . 22 LEU H . 18242 1 245 . 1 1 22 22 LEU HA H 1 4.280 0.020 . 1 . . . . 22 LEU HA . 18242 1 246 . 1 1 22 22 LEU HB2 H 1 1.712 0.020 . 2 . . . . 22 LEU HB2 . 18242 1 247 . 1 1 22 22 LEU HB3 H 1 1.383 0.020 . 2 . . . . 22 LEU HB3 . 18242 1 248 . 1 1 22 22 LEU HG H 1 1.555 0.020 . 1 . . . . 22 LEU HG . 18242 1 249 . 1 1 22 22 LEU HD11 H 1 0.941 0.020 . 2 . . . . 22 LEU HD1 . 18242 1 250 . 1 1 22 22 LEU HD12 H 1 0.941 0.020 . 2 . . . . 22 LEU HD1 . 18242 1 251 . 1 1 22 22 LEU HD13 H 1 0.941 0.020 . 2 . . . . 22 LEU HD1 . 18242 1 252 . 1 1 22 22 LEU HD21 H 1 0.786 0.020 . 2 . . . . 22 LEU HD2 . 18242 1 253 . 1 1 22 22 LEU HD22 H 1 0.786 0.020 . 2 . . . . 22 LEU HD2 . 18242 1 254 . 1 1 22 22 LEU HD23 H 1 0.786 0.020 . 2 . . . . 22 LEU HD2 . 18242 1 255 . 1 1 22 22 LEU C C 13 178.155 0.3 . 1 . . . . 22 LEU C . 18242 1 256 . 1 1 22 22 LEU CA C 13 54.453 0.3 . 1 . . . . 22 LEU CA . 18242 1 257 . 1 1 22 22 LEU CB C 13 42.660 0.3 . 1 . . . . 22 LEU CB . 18242 1 258 . 1 1 22 22 LEU CG C 13 27.551 0.3 . 1 . . . . 22 LEU CG . 18242 1 259 . 1 1 22 22 LEU CD1 C 13 24.101 0.3 . 1 . . . . 22 LEU CD1 . 18242 1 260 . 1 1 22 22 LEU CD2 C 13 24.059 0.3 . 1 . . . . 22 LEU CD2 . 18242 1 261 . 1 1 22 22 LEU N N 15 116.666 0.3 . 1 . . . . 22 LEU N . 18242 1 262 . 1 1 23 23 GLU H H 1 9.486 0.020 . 1 . . . . 23 GLU H . 18242 1 263 . 1 1 23 23 GLU HA H 1 4.228 0.020 . 1 . . . . 23 GLU HA . 18242 1 264 . 1 1 23 23 GLU HB2 H 1 2.318 0.020 . 2 . . . . 23 GLU HB2 . 18242 1 265 . 1 1 23 23 GLU HB3 H 1 2.063 0.020 . 2 . . . . 23 GLU HB3 . 18242 1 266 . 1 1 23 23 GLU HG2 H 1 2.519 0.020 . 2 . . . . 23 GLU HG2 . 18242 1 267 . 1 1 23 23 GLU HG3 H 1 2.494 0.020 . 2 . . . . 23 GLU HG3 . 18242 1 268 . 1 1 23 23 GLU C C 13 177.964 0.3 . 1 . . . . 23 GLU C . 18242 1 269 . 1 1 23 23 GLU CA C 13 56.606 0.3 . 1 . . . . 23 GLU CA . 18242 1 270 . 1 1 23 23 GLU CB C 13 29.772 0.3 . 1 . . . . 23 GLU CB . 18242 1 271 . 1 1 23 23 GLU CG C 13 36.702 0.3 . 1 . . . . 23 GLU CG . 18242 1 272 . 1 1 23 23 GLU N N 15 124.825 0.3 . 1 . . . . 23 GLU N . 18242 1 273 . 1 1 24 24 GLU H H 1 8.910 0.020 . 1 . . . . 24 GLU H . 18242 1 274 . 1 1 24 24 GLU HA H 1 4.146 0.020 . 1 . . . . 24 GLU HA . 18242 1 275 . 1 1 24 24 GLU HB2 H 1 2.193 0.020 . 2 . . . . 24 GLU HB2 . 18242 1 276 . 1 1 24 24 GLU HB3 H 1 2.035 0.020 . 2 . . . . 24 GLU HB3 . 18242 1 277 . 1 1 24 24 GLU HG2 H 1 2.374 0.020 . 1 . . . . 24 GLU HG2 . 18242 1 278 . 1 1 24 24 GLU HG3 H 1 2.374 0.020 . 1 . . . . 24 GLU HG3 . 18242 1 279 . 1 1 24 24 GLU C C 13 178.720 0.3 . 1 . . . . 24 GLU C . 18242 1 280 . 1 1 24 24 GLU CA C 13 60.738 0.3 . 1 . . . . 24 GLU CA . 18242 1 281 . 1 1 24 24 GLU CB C 13 29.755 0.3 . 1 . . . . 24 GLU CB . 18242 1 282 . 1 1 24 24 GLU CG C 13 35.934 0.3 . 1 . . . . 24 GLU CG . 18242 1 283 . 1 1 24 24 GLU N N 15 123.906 0.3 . 1 . . . . 24 GLU N . 18242 1 284 . 1 1 25 25 ASN H H 1 9.186 0.020 . 1 . . . . 25 ASN H . 18242 1 285 . 1 1 25 25 ASN HA H 1 4.485 0.020 . 1 . . . . 25 ASN HA . 18242 1 286 . 1 1 25 25 ASN HB2 H 1 2.957 0.020 . 2 . . . . 25 ASN HB2 . 18242 1 287 . 1 1 25 25 ASN HB3 H 1 2.786 0.020 . 2 . . . . 25 ASN HB3 . 18242 1 288 . 1 1 25 25 ASN C C 13 178.058 0.3 . 1 . . . . 25 ASN C . 18242 1 289 . 1 1 25 25 ASN CA C 13 56.600 0.3 . 1 . . . . 25 ASN CA . 18242 1 290 . 1 1 25 25 ASN CB C 13 38.025 0.3 . 1 . . . . 25 ASN CB . 18242 1 291 . 1 1 25 25 ASN N N 15 116.343 0.3 . 1 . . . . 25 ASN N . 18242 1 292 . 1 1 26 26 ASP H H 1 7.393 0.020 . 1 . . . . 26 ASP H . 18242 1 293 . 1 1 26 26 ASP HA H 1 4.663 0.020 . 1 . . . . 26 ASP HA . 18242 1 294 . 1 1 26 26 ASP HB2 H 1 2.802 0.020 . 2 . . . . 26 ASP HB2 . 18242 1 295 . 1 1 26 26 ASP HB3 H 1 2.510 0.020 . 2 . . . . 26 ASP HB3 . 18242 1 296 . 1 1 26 26 ASP C C 13 177.533 0.3 . 1 . . . . 26 ASP C . 18242 1 297 . 1 1 26 26 ASP CA C 13 56.867 0.3 . 1 . . . . 26 ASP CA . 18242 1 298 . 1 1 26 26 ASP CB C 13 40.864 0.3 . 1 . . . . 26 ASP CB . 18242 1 299 . 1 1 26 26 ASP N N 15 121.187 0.3 . 1 . . . . 26 ASP N . 18242 1 300 . 1 1 27 27 PHE H H 1 8.733 0.020 . 1 . . . . 27 PHE H . 18242 1 301 . 1 1 27 27 PHE HA H 1 4.251 0.020 . 1 . . . . 27 PHE HA . 18242 1 302 . 1 1 27 27 PHE HB2 H 1 3.200 0.020 . 1 . . . . 27 PHE HB2 . 18242 1 303 . 1 1 27 27 PHE HB3 H 1 3.200 0.020 . 1 . . . . 27 PHE HB3 . 18242 1 304 . 1 1 27 27 PHE C C 13 176.934 0.3 . 1 . . . . 27 PHE C . 18242 1 305 . 1 1 27 27 PHE CA C 13 60.861 0.3 . 1 . . . . 27 PHE CA . 18242 1 306 . 1 1 27 27 PHE CB C 13 38.532 0.3 . 1 . . . . 27 PHE CB . 18242 1 307 . 1 1 27 27 PHE N N 15 122.559 0.3 . 1 . . . . 27 PHE N . 18242 1 308 . 1 1 28 28 LYS H H 1 8.034 0.020 . 1 . . . . 28 LYS H . 18242 1 309 . 1 1 28 28 LYS HA H 1 3.524 0.020 . 1 . . . . 28 LYS HA . 18242 1 310 . 1 1 28 28 LYS HB2 H 1 1.898 0.020 . 2 . . . . 28 LYS HB2 . 18242 1 311 . 1 1 28 28 LYS HB3 H 1 1.780 0.020 . 2 . . . . 28 LYS HB3 . 18242 1 312 . 1 1 28 28 LYS HG2 H 1 1.293 0.020 . 1 . . . . 28 LYS HG2 . 18242 1 313 . 1 1 28 28 LYS HG3 H 1 1.293 0.020 . 1 . . . . 28 LYS HG3 . 18242 1 314 . 1 1 28 28 LYS HD2 H 1 1.636 0.020 . 1 . . . . 28 LYS HD2 . 18242 1 315 . 1 1 28 28 LYS HD3 H 1 1.636 0.020 . 1 . . . . 28 LYS HD3 . 18242 1 316 . 1 1 28 28 LYS HE2 H 1 3.009 0.020 . 1 . . . . 28 LYS HE2 . 18242 1 317 . 1 1 28 28 LYS HE3 H 1 3.009 0.020 . 1 . . . . 28 LYS HE3 . 18242 1 318 . 1 1 28 28 LYS C C 13 178.623 0.3 . 1 . . . . 28 LYS C . 18242 1 319 . 1 1 28 28 LYS CA C 13 60.494 0.3 . 1 . . . . 28 LYS CA . 18242 1 320 . 1 1 28 28 LYS CB C 13 32.115 0.3 . 1 . . . . 28 LYS CB . 18242 1 321 . 1 1 28 28 LYS CG C 13 25.610 0.3 . 1 . . . . 28 LYS CG . 18242 1 322 . 1 1 28 28 LYS CE C 13 41.608 0.3 . 1 . . . . 28 LYS CE . 18242 1 323 . 1 1 28 28 LYS N N 15 117.601 0.3 . 1 . . . . 28 LYS N . 18242 1 324 . 1 1 29 29 LYS H H 1 7.714 0.020 . 1 . . . . 29 LYS H . 18242 1 325 . 1 1 29 29 LYS HA H 1 3.987 0.020 . 1 . . . . 29 LYS HA . 18242 1 326 . 1 1 29 29 LYS HB2 H 1 2.068 0.020 . 1 . . . . 29 LYS HB2 . 18242 1 327 . 1 1 29 29 LYS HB3 H 1 2.068 0.020 . 1 . . . . 29 LYS HB3 . 18242 1 328 . 1 1 29 29 LYS HG2 H 1 1.535 0.020 . 1 . . . . 29 LYS HG2 . 18242 1 329 . 1 1 29 29 LYS HG3 H 1 1.535 0.020 . 1 . . . . 29 LYS HG3 . 18242 1 330 . 1 1 29 29 LYS HD2 H 1 1.724 0.020 . 1 . . . . 29 LYS HD2 . 18242 1 331 . 1 1 29 29 LYS HD3 H 1 1.724 0.020 . 1 . . . . 29 LYS HD3 . 18242 1 332 . 1 1 29 29 LYS HE2 H 1 2.935 0.020 . 1 . . . . 29 LYS HE2 . 18242 1 333 . 1 1 29 29 LYS HE3 H 1 2.935 0.020 . 1 . . . . 29 LYS HE3 . 18242 1 334 . 1 1 29 29 LYS C C 13 178.950 0.3 . 1 . . . . 29 LYS C . 18242 1 335 . 1 1 29 29 LYS CA C 13 59.844 0.3 . 1 . . . . 29 LYS CA . 18242 1 336 . 1 1 29 29 LYS CB C 13 32.398 0.3 . 1 . . . . 29 LYS CB . 18242 1 337 . 1 1 29 29 LYS CG C 13 25.494 0.3 . 1 . . . . 29 LYS CG . 18242 1 338 . 1 1 29 29 LYS CD C 13 29.572 0.3 . 1 . . . . 29 LYS CD . 18242 1 339 . 1 1 29 29 LYS CE C 13 42.006 0.3 . 1 . . . . 29 LYS CE . 18242 1 340 . 1 1 29 29 LYS N N 15 119.078 0.3 . 1 . . . . 29 LYS N . 18242 1 341 . 1 1 30 30 LEU H H 1 8.447 0.020 . 1 . . . . 30 LEU H . 18242 1 342 . 1 1 30 30 LEU HA H 1 4.210 0.020 . 1 . . . . 30 LEU HA . 18242 1 343 . 1 1 30 30 LEU HB2 H 1 1.448 0.020 . 2 . . . . 30 LEU HB2 . 18242 1 344 . 1 1 30 30 LEU HB3 H 1 1.603 0.020 . 2 . . . . 30 LEU HB3 . 18242 1 345 . 1 1 30 30 LEU HG H 1 1.642 0.020 . 1 . . . . 30 LEU HG . 18242 1 346 . 1 1 30 30 LEU HD11 H 1 0.846 0.020 . 2 . . . . 30 LEU HD1 . 18242 1 347 . 1 1 30 30 LEU HD12 H 1 0.846 0.020 . 2 . . . . 30 LEU HD1 . 18242 1 348 . 1 1 30 30 LEU HD13 H 1 0.846 0.020 . 2 . . . . 30 LEU HD1 . 18242 1 349 . 1 1 30 30 LEU HD21 H 1 0.913 0.020 . 2 . . . . 30 LEU HD2 . 18242 1 350 . 1 1 30 30 LEU HD22 H 1 0.913 0.020 . 2 . . . . 30 LEU HD2 . 18242 1 351 . 1 1 30 30 LEU HD23 H 1 0.913 0.020 . 2 . . . . 30 LEU HD2 . 18242 1 352 . 1 1 30 30 LEU C C 13 178.616 0.3 . 1 . . . . 30 LEU C . 18242 1 353 . 1 1 30 30 LEU CA C 13 57.869 0.3 . 1 . . . . 30 LEU CA . 18242 1 354 . 1 1 30 30 LEU CB C 13 40.725 0.3 . 1 . . . . 30 LEU CB . 18242 1 355 . 1 1 30 30 LEU CG C 13 26.986 0.3 . 1 . . . . 30 LEU CG . 18242 1 356 . 1 1 30 30 LEU CD1 C 13 26.443 0.3 . 1 . . . . 30 LEU CD1 . 18242 1 357 . 1 1 30 30 LEU CD2 C 13 26.220 0.3 . 1 . . . . 30 LEU CD2 . 18242 1 358 . 1 1 30 30 LEU N N 15 121.864 0.3 . 1 . . . . 30 LEU N . 18242 1 359 . 1 1 31 31 LYS H H 1 7.628 0.020 . 1 . . . . 31 LYS H . 18242 1 360 . 1 1 31 31 LYS HA H 1 3.619 0.020 . 1 . . . . 31 LYS HA . 18242 1 361 . 1 1 31 31 LYS HB2 H 1 1.763 0.020 . 1 . . . . 31 LYS HB2 . 18242 1 362 . 1 1 31 31 LYS HB3 H 1 1.763 0.020 . 1 . . . . 31 LYS HB3 . 18242 1 363 . 1 1 31 31 LYS HG2 H 1 1.306 0.020 . 1 . . . . 31 LYS HG2 . 18242 1 364 . 1 1 31 31 LYS HG3 H 1 1.306 0.020 . 1 . . . . 31 LYS HG3 . 18242 1 365 . 1 1 31 31 LYS HD2 H 1 1.948 0.020 . 1 . . . . 31 LYS HD2 . 18242 1 366 . 1 1 31 31 LYS HD3 H 1 1.948 0.020 . 1 . . . . 31 LYS HD3 . 18242 1 367 . 1 1 31 31 LYS HE2 H 1 2.997 0.020 . 1 . . . . 31 LYS HE2 . 18242 1 368 . 1 1 31 31 LYS HE3 H 1 2.997 0.020 . 1 . . . . 31 LYS HE3 . 18242 1 369 . 1 1 31 31 LYS C C 13 178.341 0.3 . 1 . . . . 31 LYS C . 18242 1 370 . 1 1 31 31 LYS CA C 13 61.697 0.3 . 1 . . . . 31 LYS CA . 18242 1 371 . 1 1 31 31 LYS CB C 13 31.576 0.3 . 1 . . . . 31 LYS CB . 18242 1 372 . 1 1 31 31 LYS CG C 13 24.653 0.3 . 1 . . . . 31 LYS CG . 18242 1 373 . 1 1 31 31 LYS CD C 13 26.588 0.3 . 1 . . . . 31 LYS CD . 18242 1 374 . 1 1 31 31 LYS CE C 13 42.006 0.3 . 1 . . . . 31 LYS CE . 18242 1 375 . 1 1 31 31 LYS N N 15 117.344 0.3 . 1 . . . . 31 LYS N . 18242 1 376 . 1 1 32 32 PHE H H 1 7.804 0.020 . 1 . . . . 32 PHE H . 18242 1 377 . 1 1 32 32 PHE HA H 1 4.227 0.020 . 1 . . . . 32 PHE HA . 18242 1 378 . 1 1 32 32 PHE HB2 H 1 3.273 0.020 . 2 . . . . 32 PHE HB2 . 18242 1 379 . 1 1 32 32 PHE HB3 H 1 3.155 0.020 . 2 . . . . 32 PHE HB3 . 18242 1 380 . 1 1 32 32 PHE C C 13 177.885 0.3 . 1 . . . . 32 PHE C . 18242 1 381 . 1 1 32 32 PHE CA C 13 60.152 0.3 . 1 . . . . 32 PHE CA . 18242 1 382 . 1 1 32 32 PHE CB C 13 37.593 0.3 . 1 . . . . 32 PHE CB . 18242 1 383 . 1 1 32 32 PHE N N 15 118.619 0.3 . 1 . . . . 32 PHE N . 18242 1 384 . 1 1 33 33 TYR H H 1 8.192 0.020 . 1 . . . . 33 TYR H . 18242 1 385 . 1 1 33 33 TYR HA H 1 4.227 0.020 . 1 . . . . 33 TYR HA . 18242 1 386 . 1 1 33 33 TYR HB2 H 1 2.387 0.020 . 1 . . . . 33 TYR HB2 . 18242 1 387 . 1 1 33 33 TYR HB3 H 1 2.387 0.020 . 1 . . . . 33 TYR HB3 . 18242 1 388 . 1 1 33 33 TYR C C 13 177.966 0.3 . 1 . . . . 33 TYR C . 18242 1 389 . 1 1 33 33 TYR CA C 13 61.691 0.3 . 1 . . . . 33 TYR CA . 18242 1 390 . 1 1 33 33 TYR CB C 13 40.862 0.3 . 1 . . . . 33 TYR CB . 18242 1 391 . 1 1 33 33 TYR N N 15 120.659 0.3 . 1 . . . . 33 TYR N . 18242 1 392 . 1 1 34 34 LEU HA H 1 3.935 0.020 . 1 . . . . 34 LEU HA . 18242 1 393 . 1 1 34 34 LEU HB2 H 1 1.899 0.020 . 2 . . . . 34 LEU HB2 . 18242 1 394 . 1 1 34 34 LEU HB3 H 1 1.772 0.020 . 2 . . . . 34 LEU HB3 . 18242 1 395 . 1 1 34 34 LEU HG H 1 2.099 0.020 . 1 . . . . 34 LEU HG . 18242 1 396 . 1 1 34 34 LEU HD11 H 1 1.287 0.020 . 2 . . . . 34 LEU HD1 . 18242 1 397 . 1 1 34 34 LEU HD12 H 1 1.287 0.020 . 2 . . . . 34 LEU HD1 . 18242 1 398 . 1 1 34 34 LEU HD13 H 1 1.287 0.020 . 2 . . . . 34 LEU HD1 . 18242 1 399 . 1 1 34 34 LEU HD21 H 1 0.842 0.020 . 2 . . . . 34 LEU HD2 . 18242 1 400 . 1 1 34 34 LEU HD22 H 1 0.842 0.020 . 2 . . . . 34 LEU HD2 . 18242 1 401 . 1 1 34 34 LEU HD23 H 1 0.842 0.020 . 2 . . . . 34 LEU HD2 . 18242 1 402 . 1 1 34 34 LEU C C 13 178.547 0.3 . 1 . . . . 34 LEU C . 18242 1 403 . 1 1 34 34 LEU CA C 13 57.138 0.3 . 1 . . . . 34 LEU CA . 18242 1 404 . 1 1 34 34 LEU CB C 13 41.942 0.3 . 1 . . . . 34 LEU CB . 18242 1 405 . 1 1 34 34 LEU CG C 13 25.553 0.3 . 1 . . . . 34 LEU CG . 18242 1 406 . 1 1 35 35 ARG H H 1 7.716 0.020 . 1 . . . . 35 ARG H . 18242 1 407 . 1 1 35 35 ARG HA H 1 3.937 0.020 . 1 . . . . 35 ARG HA . 18242 1 408 . 1 1 35 35 ARG HB2 H 1 2.005 0.020 . 2 . . . . 35 ARG HB2 . 18242 1 409 . 1 1 35 35 ARG HB3 H 1 1.799 0.020 . 2 . . . . 35 ARG HB3 . 18242 1 410 . 1 1 35 35 ARG HG2 H 1 1.547 0.020 . 1 . . . . 35 ARG HG2 . 18242 1 411 . 1 1 35 35 ARG HG3 H 1 1.547 0.020 . 1 . . . . 35 ARG HG3 . 18242 1 412 . 1 1 35 35 ARG HD2 H 1 3.166 0.020 . 1 . . . . 35 ARG HD2 . 18242 1 413 . 1 1 35 35 ARG HD3 H 1 3.166 0.020 . 1 . . . . 35 ARG HD3 . 18242 1 414 . 1 1 35 35 ARG C C 13 177.307 0.3 . 1 . . . . 35 ARG C . 18242 1 415 . 1 1 35 35 ARG CA C 13 58.803 0.3 . 1 . . . . 35 ARG CA . 18242 1 416 . 1 1 35 35 ARG CB C 13 30.034 0.3 . 1 . . . . 35 ARG CB . 18242 1 417 . 1 1 35 35 ARG CG C 13 26.113 0.3 . 1 . . . . 35 ARG CG . 18242 1 418 . 1 1 35 35 ARG CD C 13 43.675 0.3 . 1 . . . . 35 ARG CD . 18242 1 419 . 1 1 35 35 ARG N N 15 118.300 0.3 . 1 . . . . 35 ARG N . 18242 1 420 . 1 1 36 36 ASP H H 1 7.668 0.020 . 1 . . . . 36 ASP H . 18242 1 421 . 1 1 36 36 ASP HA H 1 4.605 0.020 . 1 . . . . 36 ASP HA . 18242 1 422 . 1 1 36 36 ASP HB2 H 1 2.681 0.020 . 2 . . . . 36 ASP HB2 . 18242 1 423 . 1 1 36 36 ASP HB3 H 1 2.518 0.020 . 2 . . . . 36 ASP HB3 . 18242 1 424 . 1 1 36 36 ASP C C 13 177.043 0.3 . 1 . . . . 36 ASP C . 18242 1 425 . 1 1 36 36 ASP CA C 13 55.356 0.3 . 1 . . . . 36 ASP CA . 18242 1 426 . 1 1 36 36 ASP CB C 13 41.116 0.3 . 1 . . . . 36 ASP CB . 18242 1 427 . 1 1 36 36 ASP N N 15 118.003 0.3 . 1 . . . . 36 ASP N . 18242 1 428 . 1 1 37 37 MET H H 1 7.751 0.020 . 1 . . . . 37 MET H . 18242 1 429 . 1 1 37 37 MET HA H 1 4.154 0.020 . 1 . . . . 37 MET HA . 18242 1 430 . 1 1 37 37 MET HB2 H 1 1.803 0.020 . 1 . . . . 37 MET HB2 . 18242 1 431 . 1 1 37 37 MET HB3 H 1 1.803 0.020 . 1 . . . . 37 MET HB3 . 18242 1 432 . 1 1 37 37 MET HG2 H 1 2.392 0.020 . 1 . . . . 37 MET HG2 . 18242 1 433 . 1 1 37 37 MET HG3 H 1 2.392 0.020 . 1 . . . . 37 MET HG3 . 18242 1 434 . 1 1 37 37 MET HE1 H 1 2.038 0.020 . 1 . . . . 37 MET HE . 18242 1 435 . 1 1 37 37 MET HE2 H 1 2.038 0.020 . 1 . . . . 37 MET HE . 18242 1 436 . 1 1 37 37 MET HE3 H 1 2.038 0.020 . 1 . . . . 37 MET HE . 18242 1 437 . 1 1 37 37 MET C C 13 176.368 0.3 . 1 . . . . 37 MET C . 18242 1 438 . 1 1 37 37 MET CA C 13 56.812 0.3 . 1 . . . . 37 MET CA . 18242 1 439 . 1 1 37 37 MET CB C 13 32.363 0.3 . 1 . . . . 37 MET CB . 18242 1 440 . 1 1 37 37 MET CG C 13 31.257 0.3 . 1 . . . . 37 MET CG . 18242 1 441 . 1 1 37 37 MET CE C 13 16.336 0.3 . 1 . . . . 37 MET CE . 18242 1 442 . 1 1 37 37 MET N N 15 119.923 0.3 . 1 . . . . 37 MET N . 18242 1 443 . 1 1 38 38 THR H H 1 8.078 0.020 . 1 . . . . 38 THR H . 18242 1 444 . 1 1 38 38 THR HA H 1 4.182 0.020 . 1 . . . . 38 THR HA . 18242 1 445 . 1 1 38 38 THR HB H 1 4.155 0.020 . 1 . . . . 38 THR HB . 18242 1 446 . 1 1 38 38 THR HG21 H 1 1.218 0.020 . 1 . . . . 38 THR HG2 . 18242 1 447 . 1 1 38 38 THR HG22 H 1 1.218 0.020 . 1 . . . . 38 THR HG2 . 18242 1 448 . 1 1 38 38 THR HG23 H 1 1.218 0.020 . 1 . . . . 38 THR HG2 . 18242 1 449 . 1 1 38 38 THR C C 13 174.870 0.3 . 1 . . . . 38 THR C . 18242 1 450 . 1 1 38 38 THR CA C 13 63.104 0.3 . 1 . . . . 38 THR CA . 18242 1 451 . 1 1 38 38 THR CB C 13 69.236 0.3 . 1 . . . . 38 THR CB . 18242 1 452 . 1 1 38 38 THR CG2 C 13 21.723 0.3 . 1 . . . . 38 THR CG2 . 18242 1 453 . 1 1 38 38 THR N N 15 114.894 0.3 . 1 . . . . 38 THR N . 18242 1 454 . 1 1 39 39 LEU H H 1 8.139 0.020 . 1 . . . . 39 LEU H . 18242 1 455 . 1 1 39 39 LEU HA H 1 4.399 0.020 . 1 . . . . 39 LEU HA . 18242 1 456 . 1 1 39 39 LEU HB2 H 1 1.668 0.020 . 1 . . . . 39 LEU HB2 . 18242 1 457 . 1 1 39 39 LEU HB3 H 1 1.668 0.020 . 1 . . . . 39 LEU HB3 . 18242 1 458 . 1 1 39 39 LEU HG H 1 1.633 0.020 . 1 . . . . 39 LEU HG . 18242 1 459 . 1 1 39 39 LEU HD11 H 1 0.800 0.020 . 2 . . . . 39 LEU HD1 . 18242 1 460 . 1 1 39 39 LEU HD12 H 1 0.800 0.020 . 2 . . . . 39 LEU HD1 . 18242 1 461 . 1 1 39 39 LEU HD13 H 1 0.800 0.020 . 2 . . . . 39 LEU HD1 . 18242 1 462 . 1 1 39 39 LEU HD21 H 1 0.858 0.020 . 2 . . . . 39 LEU HD2 . 18242 1 463 . 1 1 39 39 LEU HD22 H 1 0.858 0.020 . 2 . . . . 39 LEU HD2 . 18242 1 464 . 1 1 39 39 LEU HD23 H 1 0.858 0.020 . 2 . . . . 39 LEU HD2 . 18242 1 465 . 1 1 39 39 LEU C C 13 178.132 0.3 . 1 . . . . 39 LEU C . 18242 1 466 . 1 1 39 39 LEU CA C 13 55.313 0.3 . 1 . . . . 39 LEU CA . 18242 1 467 . 1 1 39 39 LEU CB C 13 42.661 0.3 . 1 . . . . 39 LEU CB . 18242 1 468 . 1 1 39 39 LEU CG C 13 25.119 0.3 . 1 . . . . 39 LEU CG . 18242 1 469 . 1 1 39 39 LEU CD1 C 13 23.133 0.3 . 1 . . . . 39 LEU CD1 . 18242 1 470 . 1 1 39 39 LEU CD2 C 13 23.246 0.3 . 1 . . . . 39 LEU CD2 . 18242 1 471 . 1 1 39 39 LEU N N 15 125.375 0.3 . 1 . . . . 39 LEU N . 18242 1 472 . 1 1 40 40 SER H H 1 8.253 0.020 . 1 . . . . 40 SER H . 18242 1 473 . 1 1 40 40 SER HA H 1 4.430 0.020 . 1 . . . . 40 SER HA . 18242 1 474 . 1 1 40 40 SER HB2 H 1 3.815 0.020 . 1 . . . . 40 SER HB2 . 18242 1 475 . 1 1 40 40 SER HB3 H 1 3.815 0.020 . 1 . . . . 40 SER HB3 . 18242 1 476 . 1 1 40 40 SER C C 13 174.590 0.3 . 1 . . . . 40 SER C . 18242 1 477 . 1 1 40 40 SER CA C 13 58.702 0.3 . 1 . . . . 40 SER CA . 18242 1 478 . 1 1 40 40 SER CB C 13 63.803 0.3 . 1 . . . . 40 SER CB . 18242 1 479 . 1 1 40 40 SER N N 15 116.283 0.3 . 1 . . . . 40 SER N . 18242 1 480 . 1 1 41 41 GLU H H 1 8.381 0.020 . 1 . . . . 41 GLU H . 18242 1 481 . 1 1 41 41 GLU HA H 1 4.158 0.020 . 1 . . . . 41 GLU HA . 18242 1 482 . 1 1 41 41 GLU HB2 H 1 2.013 0.020 . 1 . . . . 41 GLU HB2 . 18242 1 483 . 1 1 41 41 GLU HB3 H 1 2.013 0.020 . 1 . . . . 41 GLU HB3 . 18242 1 484 . 1 1 41 41 GLU HG2 H 1 2.272 0.020 . 1 . . . . 41 GLU HG2 . 18242 1 485 . 1 1 41 41 GLU HG3 H 1 2.272 0.020 . 1 . . . . 41 GLU HG3 . 18242 1 486 . 1 1 41 41 GLU C C 13 177.400 0.3 . 1 . . . . 41 GLU C . 18242 1 487 . 1 1 41 41 GLU CA C 13 57.757 0.3 . 1 . . . . 41 GLU CA . 18242 1 488 . 1 1 41 41 GLU CB C 13 29.524 0.3 . 1 . . . . 41 GLU CB . 18242 1 489 . 1 1 41 41 GLU CG C 13 36.066 0.3 . 1 . . . . 41 GLU CG . 18242 1 490 . 1 1 41 41 GLU N N 15 121.786 0.3 . 1 . . . . 41 GLU N . 18242 1 491 . 1 1 42 42 GLY H H 1 8.573 0.020 . 1 . . . . 42 GLY H . 18242 1 492 . 1 1 42 42 GLY HA2 H 1 4.124 0.020 . 2 . . . . 42 GLY HA2 . 18242 1 493 . 1 1 42 42 GLY HA3 H 1 3.766 0.020 . 2 . . . . 42 GLY HA3 . 18242 1 494 . 1 1 42 42 GLY C C 13 174.305 0.3 . 1 . . . . 42 GLY C . 18242 1 495 . 1 1 42 42 GLY CA C 13 45.364 0.3 . 1 . . . . 42 GLY CA . 18242 1 496 . 1 1 42 42 GLY N N 15 111.170 0.3 . 1 . . . . 42 GLY N . 18242 1 497 . 1 1 43 43 GLN H H 1 7.859 0.020 . 1 . . . . 43 GLN H . 18242 1 498 . 1 1 43 43 GLN HA H 1 4.742 0.020 . 1 . . . . 43 GLN HA . 18242 1 499 . 1 1 43 43 GLN HB2 H 1 2.269 0.020 . 2 . . . . 43 GLN HB2 . 18242 1 500 . 1 1 43 43 GLN HB3 H 1 1.994 0.020 . 2 . . . . 43 GLN HB3 . 18242 1 501 . 1 1 43 43 GLN HG2 H 1 2.334 0.020 . 1 . . . . 43 GLN HG2 . 18242 1 502 . 1 1 43 43 GLN HG3 H 1 2.334 0.020 . 1 . . . . 43 GLN HG3 . 18242 1 503 . 1 1 43 43 GLN C C 13 173.464 0.3 . 1 . . . . 43 GLN C . 18242 1 504 . 1 1 43 43 GLN CA C 13 53.309 0.3 . 1 . . . . 43 GLN CA . 18242 1 505 . 1 1 43 43 GLN CB C 13 29.013 0.3 . 1 . . . . 43 GLN CB . 18242 1 506 . 1 1 43 43 GLN CG C 13 34.710 0.3 . 1 . . . . 43 GLN CG . 18242 1 507 . 1 1 43 43 GLN N N 15 120.310 0.3 . 1 . . . . 43 GLN N . 18242 1 508 . 1 1 44 44 PRO HA H 1 4.003 0.020 . 1 . . . . 44 PRO HA . 18242 1 509 . 1 1 44 44 PRO CA C 13 63.020 0.3 . 1 . . . . 44 PRO CA . 18242 1 510 . 1 1 45 45 PRO HA H 1 4.494 0.020 . 1 . . . . 45 PRO HA . 18242 1 511 . 1 1 45 45 PRO HB2 H 1 2.235 0.020 . 2 . . . . 45 PRO HB2 . 18242 1 512 . 1 1 45 45 PRO HB3 H 1 2.012 0.020 . 2 . . . . 45 PRO HB3 . 18242 1 513 . 1 1 45 45 PRO HG2 H 1 1.946 0.020 . 2 . . . . 45 PRO HG2 . 18242 1 514 . 1 1 45 45 PRO HG3 H 1 1.880 0.020 . 2 . . . . 45 PRO HG3 . 18242 1 515 . 1 1 45 45 PRO HD2 H 1 3.805 0.020 . 2 . . . . 45 PRO HD2 . 18242 1 516 . 1 1 45 45 PRO HD3 H 1 3.661 0.020 . 2 . . . . 45 PRO HD3 . 18242 1 517 . 1 1 45 45 PRO CA C 13 62.313 0.3 . 1 . . . . 45 PRO CA . 18242 1 518 . 1 1 45 45 PRO CB C 13 32.392 0.3 . 1 . . . . 45 PRO CB . 18242 1 519 . 1 1 45 45 PRO CG C 13 26.095 0.3 . 1 . . . . 45 PRO CG . 18242 1 520 . 1 1 45 45 PRO CD C 13 50.196 0.3 . 1 . . . . 45 PRO CD . 18242 1 521 . 1 1 46 46 LEU H H 1 8.438 0.020 . 1 . . . . 46 LEU H . 18242 1 522 . 1 1 46 46 LEU HA H 1 4.278 0.020 . 1 . . . . 46 LEU HA . 18242 1 523 . 1 1 46 46 LEU HB2 H 1 1.629 0.020 . 2 . . . . 46 LEU HB2 . 18242 1 524 . 1 1 46 46 LEU HB3 H 1 1.332 0.020 . 2 . . . . 46 LEU HB3 . 18242 1 525 . 1 1 46 46 LEU HG H 1 1.812 0.020 . 1 . . . . 46 LEU HG . 18242 1 526 . 1 1 46 46 LEU HD11 H 1 0.842 0.020 . 2 . . . . 46 LEU HD1 . 18242 1 527 . 1 1 46 46 LEU HD12 H 1 0.842 0.020 . 2 . . . . 46 LEU HD1 . 18242 1 528 . 1 1 46 46 LEU HD13 H 1 0.842 0.020 . 2 . . . . 46 LEU HD1 . 18242 1 529 . 1 1 46 46 LEU HD21 H 1 0.867 0.020 . 2 . . . . 46 LEU HD2 . 18242 1 530 . 1 1 46 46 LEU HD22 H 1 0.867 0.020 . 2 . . . . 46 LEU HD2 . 18242 1 531 . 1 1 46 46 LEU HD23 H 1 0.867 0.020 . 2 . . . . 46 LEU HD2 . 18242 1 532 . 1 1 46 46 LEU C C 13 176.253 0.3 . 1 . . . . 46 LEU C . 18242 1 533 . 1 1 46 46 LEU CA C 13 54.566 0.3 . 1 . . . . 46 LEU CA . 18242 1 534 . 1 1 46 46 LEU CB C 13 42.852 0.3 . 1 . . . . 46 LEU CB . 18242 1 535 . 1 1 46 46 LEU CG C 13 25.966 0.3 . 1 . . . . 46 LEU CG . 18242 1 536 . 1 1 46 46 LEU CD1 C 13 24.047 0.3 . 1 . . . . 46 LEU CD1 . 18242 1 537 . 1 1 46 46 LEU CD2 C 13 23.946 0.3 . 1 . . . . 46 LEU CD2 . 18242 1 538 . 1 1 46 46 LEU N N 15 121.802 0.3 . 1 . . . . 46 LEU N . 18242 1 539 . 1 1 47 47 ALA H H 1 8.862 0.020 . 1 . . . . 47 ALA H . 18242 1 540 . 1 1 47 47 ALA HA H 1 4.373 0.020 . 1 . . . . 47 ALA HA . 18242 1 541 . 1 1 47 47 ALA HB1 H 1 1.394 0.020 . 1 . . . . 47 ALA HB . 18242 1 542 . 1 1 47 47 ALA HB2 H 1 1.394 0.020 . 1 . . . . 47 ALA HB . 18242 1 543 . 1 1 47 47 ALA HB3 H 1 1.394 0.020 . 1 . . . . 47 ALA HB . 18242 1 544 . 1 1 47 47 ALA C C 13 178.248 0.3 . 1 . . . . 47 ALA C . 18242 1 545 . 1 1 47 47 ALA CA C 13 51.241 0.3 . 1 . . . . 47 ALA CA . 18242 1 546 . 1 1 47 47 ALA CB C 13 19.572 0.3 . 1 . . . . 47 ALA CB . 18242 1 547 . 1 1 47 47 ALA N N 15 124.765 0.3 . 1 . . . . 47 ALA N . 18242 1 548 . 1 1 48 48 ARG H H 1 8.717 0.020 . 1 . . . . 48 ARG H . 18242 1 549 . 1 1 48 48 ARG HA H 1 3.967 0.020 . 1 . . . . 48 ARG HA . 18242 1 550 . 1 1 48 48 ARG HB2 H 1 1.849 0.020 . 1 . . . . 48 ARG HB2 . 18242 1 551 . 1 1 48 48 ARG HB3 H 1 1.849 0.020 . 1 . . . . 48 ARG HB3 . 18242 1 552 . 1 1 48 48 ARG HG2 H 1 1.689 0.020 . 1 . . . . 48 ARG HG2 . 18242 1 553 . 1 1 48 48 ARG HG3 H 1 1.689 0.020 . 1 . . . . 48 ARG HG3 . 18242 1 554 . 1 1 48 48 ARG HD2 H 1 3.190 0.020 . 1 . . . . 48 ARG HD2 . 18242 1 555 . 1 1 48 48 ARG HD3 H 1 3.190 0.020 . 1 . . . . 48 ARG HD3 . 18242 1 556 . 1 1 48 48 ARG C C 13 178.248 0.3 . 1 . . . . 48 ARG C . 18242 1 557 . 1 1 48 48 ARG CA C 13 58.852 0.3 . 1 . . . . 48 ARG CA . 18242 1 558 . 1 1 48 48 ARG CB C 13 29.524 0.3 . 1 . . . . 48 ARG CB . 18242 1 559 . 1 1 48 48 ARG CG C 13 26.787 0.3 . 1 . . . . 48 ARG CG . 18242 1 560 . 1 1 48 48 ARG CD C 13 43.100 0.3 . 1 . . . . 48 ARG CD . 18242 1 561 . 1 1 48 48 ARG N N 15 121.703 0.3 . 1 . . . . 48 ARG N . 18242 1 562 . 1 1 49 49 GLY H H 1 8.837 0.020 . 1 . . . . 49 GLY H . 18242 1 563 . 1 1 49 49 GLY HA2 H 1 3.504 0.020 . 1 . . . . 49 GLY HA2 . 18242 1 564 . 1 1 49 49 GLY HA3 H 1 3.504 0.020 . 1 . . . . 49 GLY HA3 . 18242 1 565 . 1 1 49 49 GLY C C 13 175.474 0.3 . 1 . . . . 49 GLY C . 18242 1 566 . 1 1 49 49 GLY CA C 13 46.093 0.3 . 1 . . . . 49 GLY CA . 18242 1 567 . 1 1 49 49 GLY N N 15 108.948 0.3 . 1 . . . . 49 GLY N . 18242 1 568 . 1 1 50 50 GLU H H 1 7.708 0.020 . 1 . . . . 50 GLU H . 18242 1 569 . 1 1 50 50 GLU HA H 1 4.218 0.020 . 1 . . . . 50 GLU HA . 18242 1 570 . 1 1 50 50 GLU HB2 H 1 2.115 0.020 . 2 . . . . 50 GLU HB2 . 18242 1 571 . 1 1 50 50 GLU HB3 H 1 1.996 0.020 . 2 . . . . 50 GLU HB3 . 18242 1 572 . 1 1 50 50 GLU HG2 H 1 2.242 0.020 . 1 . . . . 50 GLU HG2 . 18242 1 573 . 1 1 50 50 GLU HG3 H 1 2.242 0.020 . 1 . . . . 50 GLU HG3 . 18242 1 574 . 1 1 50 50 GLU C C 13 177.038 0.3 . 1 . . . . 50 GLU C . 18242 1 575 . 1 1 50 50 GLU CA C 13 57.576 0.3 . 1 . . . . 50 GLU CA . 18242 1 576 . 1 1 50 50 GLU CB C 13 30.307 0.3 . 1 . . . . 50 GLU CB . 18242 1 577 . 1 1 50 50 GLU CG C 13 36.648 0.3 . 1 . . . . 50 GLU CG . 18242 1 578 . 1 1 50 50 GLU N N 15 119.355 0.3 . 1 . . . . 50 GLU N . 18242 1 579 . 1 1 51 51 LEU H H 1 7.736 0.020 . 1 . . . . 51 LEU H . 18242 1 580 . 1 1 51 51 LEU HA H 1 4.158 0.020 . 1 . . . . 51 LEU HA . 18242 1 581 . 1 1 51 51 LEU HB2 H 1 1.409 0.020 . 1 . . . . 51 LEU HB2 . 18242 1 582 . 1 1 51 51 LEU HB3 H 1 1.409 0.020 . 1 . . . . 51 LEU HB3 . 18242 1 583 . 1 1 51 51 LEU HG H 1 1.262 0.020 . 1 . . . . 51 LEU HG . 18242 1 584 . 1 1 51 51 LEU HD11 H 1 0.776 0.020 . 2 . . . . 51 LEU HD1 . 18242 1 585 . 1 1 51 51 LEU HD12 H 1 0.776 0.020 . 2 . . . . 51 LEU HD1 . 18242 1 586 . 1 1 51 51 LEU HD13 H 1 0.776 0.020 . 2 . . . . 51 LEU HD1 . 18242 1 587 . 1 1 51 51 LEU HD21 H 1 0.723 0.020 . 2 . . . . 51 LEU HD2 . 18242 1 588 . 1 1 51 51 LEU HD22 H 1 0.723 0.020 . 2 . . . . 51 LEU HD2 . 18242 1 589 . 1 1 51 51 LEU HD23 H 1 0.723 0.020 . 2 . . . . 51 LEU HD2 . 18242 1 590 . 1 1 51 51 LEU C C 13 178.809 0.3 . 1 . . . . 51 LEU C . 18242 1 591 . 1 1 51 51 LEU CA C 13 55.942 0.3 . 1 . . . . 51 LEU CA . 18242 1 592 . 1 1 51 51 LEU CB C 13 43.301 0.3 . 1 . . . . 51 LEU CB . 18242 1 593 . 1 1 51 51 LEU CG C 13 26.389 0.3 . 1 . . . . 51 LEU CG . 18242 1 594 . 1 1 51 51 LEU CD1 C 13 24.698 0.3 . 1 . . . . 51 LEU CD1 . 18242 1 595 . 1 1 51 51 LEU CD2 C 13 24.300 0.3 . 1 . . . . 51 LEU CD2 . 18242 1 596 . 1 1 51 51 LEU N N 15 116.383 0.3 . 1 . . . . 51 LEU N . 18242 1 597 . 1 1 52 52 GLU H H 1 8.281 0.020 . 1 . . . . 52 GLU H . 18242 1 598 . 1 1 52 52 GLU HA H 1 4.389 0.020 . 1 . . . . 52 GLU HA . 18242 1 599 . 1 1 52 52 GLU HB2 H 1 2.038 0.020 . 1 . . . . 52 GLU HB2 . 18242 1 600 . 1 1 52 52 GLU HB3 H 1 2.038 0.020 . 1 . . . . 52 GLU HB3 . 18242 1 601 . 1 1 52 52 GLU HG2 H 1 2.333 0.020 . 1 . . . . 52 GLU HG2 . 18242 1 602 . 1 1 52 52 GLU HG3 H 1 2.333 0.020 . 1 . . . . 52 GLU HG3 . 18242 1 603 . 1 1 52 52 GLU C C 13 177.968 0.3 . 1 . . . . 52 GLU C . 18242 1 604 . 1 1 52 52 GLU CA C 13 59.844 0.3 . 1 . . . . 52 GLU CA . 18242 1 605 . 1 1 52 52 GLU CB C 13 29.258 0.3 . 1 . . . . 52 GLU CB . 18242 1 606 . 1 1 52 52 GLU CG C 13 36.238 0.3 . 1 . . . . 52 GLU CG . 18242 1 607 . 1 1 52 52 GLU N N 15 119.684 0.3 . 1 . . . . 52 GLU N . 18242 1 608 . 1 1 53 53 GLY H H 1 8.066 0.020 . 1 . . . . 53 GLY H . 18242 1 609 . 1 1 53 53 GLY HA2 H 1 3.980 0.020 . 2 . . . . 53 GLY HA2 . 18242 1 610 . 1 1 53 53 GLY HA3 H 1 3.832 0.020 . 2 . . . . 53 GLY HA3 . 18242 1 611 . 1 1 53 53 GLY C C 13 174.883 0.3 . 1 . . . . 53 GLY C . 18242 1 612 . 1 1 53 53 GLY CA C 13 44.980 0.3 . 1 . . . . 53 GLY CA . 18242 1 613 . 1 1 53 53 GLY N N 15 108.696 0.3 . 1 . . . . 53 GLY N . 18242 1 614 . 1 1 54 54 LEU H H 1 7.052 0.020 . 1 . . . . 54 LEU H . 18242 1 615 . 1 1 54 54 LEU HA H 1 4.668 0.020 . 1 . . . . 54 LEU HA . 18242 1 616 . 1 1 54 54 LEU HB2 H 1 1.651 0.020 . 2 . . . . 54 LEU HB2 . 18242 1 617 . 1 1 54 54 LEU HB3 H 1 1.458 0.020 . 2 . . . . 54 LEU HB3 . 18242 1 618 . 1 1 54 54 LEU HG H 1 1.838 0.020 . 1 . . . . 54 LEU HG . 18242 1 619 . 1 1 54 54 LEU HD11 H 1 0.886 0.020 . 1 . . . . 54 LEU HD1 . 18242 1 620 . 1 1 54 54 LEU HD12 H 1 0.886 0.020 . 1 . . . . 54 LEU HD1 . 18242 1 621 . 1 1 54 54 LEU HD13 H 1 0.886 0.020 . 1 . . . . 54 LEU HD1 . 18242 1 622 . 1 1 54 54 LEU HD21 H 1 0.886 0.020 . 1 . . . . 54 LEU HD2 . 18242 1 623 . 1 1 54 54 LEU HD22 H 1 0.886 0.020 . 1 . . . . 54 LEU HD2 . 18242 1 624 . 1 1 54 54 LEU HD23 H 1 0.886 0.020 . 1 . . . . 54 LEU HD2 . 18242 1 625 . 1 1 54 54 LEU C C 13 178.434 0.3 . 1 . . . . 54 LEU C . 18242 1 626 . 1 1 54 54 LEU CA C 13 55.545 0.3 . 1 . . . . 54 LEU CA . 18242 1 627 . 1 1 54 54 LEU CB C 13 42.925 0.3 . 1 . . . . 54 LEU CB . 18242 1 628 . 1 1 54 54 LEU CG C 13 27.182 0.3 . 1 . . . . 54 LEU CG . 18242 1 629 . 1 1 54 54 LEU CD1 C 13 22.975 0.3 . 1 . . . . 54 LEU CD1 . 18242 1 630 . 1 1 54 54 LEU N N 15 118.411 0.3 . 1 . . . . 54 LEU N . 18242 1 631 . 1 1 55 55 ILE H H 1 8.553 0.020 . 1 . . . . 55 ILE H . 18242 1 632 . 1 1 55 55 ILE HA H 1 4.841 0.020 . 1 . . . . 55 ILE HA . 18242 1 633 . 1 1 55 55 ILE HB H 1 2.401 0.020 . 1 . . . . 55 ILE HB . 18242 1 634 . 1 1 55 55 ILE HG12 H 1 1.559 0.020 . 2 . . . . 55 ILE HG12 . 18242 1 635 . 1 1 55 55 ILE HG13 H 1 1.179 0.020 . 2 . . . . 55 ILE HG13 . 18242 1 636 . 1 1 55 55 ILE HG21 H 1 1.104 0.020 . 1 . . . . 55 ILE HG2 . 18242 1 637 . 1 1 55 55 ILE HG22 H 1 1.104 0.020 . 1 . . . . 55 ILE HG2 . 18242 1 638 . 1 1 55 55 ILE HG23 H 1 1.104 0.020 . 1 . . . . 55 ILE HG2 . 18242 1 639 . 1 1 55 55 ILE HD11 H 1 0.939 0.020 . 1 . . . . 55 ILE HD1 . 18242 1 640 . 1 1 55 55 ILE HD12 H 1 0.939 0.020 . 1 . . . . 55 ILE HD1 . 18242 1 641 . 1 1 55 55 ILE HD13 H 1 0.939 0.020 . 1 . . . . 55 ILE HD1 . 18242 1 642 . 1 1 55 55 ILE C C 13 175.341 0.3 . 1 . . . . 55 ILE C . 18242 1 643 . 1 1 55 55 ILE CA C 13 60.728 0.3 . 1 . . . . 55 ILE CA . 18242 1 644 . 1 1 55 55 ILE CB C 13 35.443 0.3 . 1 . . . . 55 ILE CB . 18242 1 645 . 1 1 55 55 ILE CG1 C 13 25.309 0.3 . 1 . . . . 55 ILE CG1 . 18242 1 646 . 1 1 55 55 ILE CG2 C 13 16.927 0.3 . 1 . . . . 55 ILE CG2 . 18242 1 647 . 1 1 55 55 ILE CD1 C 13 13.955 0.3 . 1 . . . . 55 ILE CD1 . 18242 1 648 . 1 1 55 55 ILE N N 15 118.863 0.3 . 1 . . . . 55 ILE N . 18242 1 649 . 1 1 56 56 PRO HA H 1 3.966 0.020 . 1 . . . . 56 PRO HA . 18242 1 650 . 1 1 56 56 PRO HB2 H 1 1.800 0.020 . 2 . . . . 56 PRO HB2 . 18242 1 651 . 1 1 56 56 PRO HB3 H 1 1.701 0.020 . 2 . . . . 56 PRO HB3 . 18242 1 652 . 1 1 56 56 PRO HG2 H 1 1.731 0.020 . 1 . . . . 56 PRO HG2 . 18242 1 653 . 1 1 56 56 PRO HG3 H 1 1.731 0.020 . 1 . . . . 56 PRO HG3 . 18242 1 654 . 1 1 56 56 PRO HD2 H 1 3.514 0.020 . 1 . . . . 56 PRO HD2 . 18242 1 655 . 1 1 56 56 PRO HD3 H 1 3.514 0.020 . 1 . . . . 56 PRO HD3 . 18242 1 656 . 1 1 56 56 PRO CA C 13 68.546 0.3 . 1 . . . . 56 PRO CA . 18242 1 657 . 1 1 56 56 PRO CB C 13 31.537 0.3 . 1 . . . . 56 PRO CB . 18242 1 658 . 1 1 56 56 PRO CG C 13 25.629 0.3 . 1 . . . . 56 PRO CG . 18242 1 659 . 1 1 56 56 PRO CD C 13 50.273 0.3 . 1 . . . . 56 PRO CD . 18242 1 660 . 1 1 57 57 VAL H H 1 8.352 0.020 . 1 . . . . 57 VAL H . 18242 1 661 . 1 1 57 57 VAL HA H 1 3.780 0.020 . 1 . . . . 57 VAL HA . 18242 1 662 . 1 1 57 57 VAL HB H 1 1.995 0.020 . 1 . . . . 57 VAL HB . 18242 1 663 . 1 1 57 57 VAL HG11 H 1 1.015 0.020 . 2 . . . . 57 VAL HG1 . 18242 1 664 . 1 1 57 57 VAL HG12 H 1 1.015 0.020 . 2 . . . . 57 VAL HG1 . 18242 1 665 . 1 1 57 57 VAL HG13 H 1 1.015 0.020 . 2 . . . . 57 VAL HG1 . 18242 1 666 . 1 1 57 57 VAL HG21 H 1 0.958 0.020 . 2 . . . . 57 VAL HG2 . 18242 1 667 . 1 1 57 57 VAL HG22 H 1 0.958 0.020 . 2 . . . . 57 VAL HG2 . 18242 1 668 . 1 1 57 57 VAL HG23 H 1 0.958 0.020 . 2 . . . . 57 VAL HG2 . 18242 1 669 . 1 1 57 57 VAL C C 13 176.556 0.3 . 1 . . . . 57 VAL C . 18242 1 670 . 1 1 57 57 VAL CA C 13 65.855 0.3 . 1 . . . . 57 VAL CA . 18242 1 671 . 1 1 57 57 VAL CB C 13 31.302 0.3 . 1 . . . . 57 VAL CB . 18242 1 672 . 1 1 57 57 VAL CG1 C 13 20.208 0.3 . 1 . . . . 57 VAL CG1 . 18242 1 673 . 1 1 57 57 VAL CG2 C 13 21.622 0.3 . 1 . . . . 57 VAL CG2 . 18242 1 674 . 1 1 57 57 VAL N N 15 113.810 0.3 . 1 . . . . 57 VAL N . 18242 1 675 . 1 1 58 58 ASP H H 1 6.657 0.020 . 1 . . . . 58 ASP H . 18242 1 676 . 1 1 58 58 ASP HA H 1 4.588 0.020 . 1 . . . . 58 ASP HA . 18242 1 677 . 1 1 58 58 ASP HB2 H 1 2.681 0.020 . 1 . . . . 58 ASP HB2 . 18242 1 678 . 1 1 58 58 ASP HB3 H 1 2.681 0.020 . 1 . . . . 58 ASP HB3 . 18242 1 679 . 1 1 58 58 ASP C C 13 179.467 0.3 . 1 . . . . 58 ASP C . 18242 1 680 . 1 1 58 58 ASP CA C 13 56.360 0.3 . 1 . . . . 58 ASP CA . 18242 1 681 . 1 1 58 58 ASP CB C 13 40.870 0.3 . 1 . . . . 58 ASP CB . 18242 1 682 . 1 1 58 58 ASP N N 15 120.293 0.3 . 1 . . . . 58 ASP N . 18242 1 683 . 1 1 59 59 LEU H H 1 8.632 0.020 . 1 . . . . 59 LEU H . 18242 1 684 . 1 1 59 59 LEU HA H 1 4.208 0.020 . 1 . . . . 59 LEU HA . 18242 1 685 . 1 1 59 59 LEU HB2 H 1 2.149 0.020 . 2 . . . . 59 LEU HB2 . 18242 1 686 . 1 1 59 59 LEU HB3 H 1 1.386 0.020 . 2 . . . . 59 LEU HB3 . 18242 1 687 . 1 1 59 59 LEU HG H 1 1.572 0.020 . 1 . . . . 59 LEU HG . 18242 1 688 . 1 1 59 59 LEU HD11 H 1 0.887 0.020 . 2 . . . . 59 LEU HD1 . 18242 1 689 . 1 1 59 59 LEU HD12 H 1 0.887 0.020 . 2 . . . . 59 LEU HD1 . 18242 1 690 . 1 1 59 59 LEU HD13 H 1 0.887 0.020 . 2 . . . . 59 LEU HD1 . 18242 1 691 . 1 1 59 59 LEU HD21 H 1 0.906 0.020 . 2 . . . . 59 LEU HD2 . 18242 1 692 . 1 1 59 59 LEU HD22 H 1 0.906 0.020 . 2 . . . . 59 LEU HD2 . 18242 1 693 . 1 1 59 59 LEU HD23 H 1 0.906 0.020 . 2 . . . . 59 LEU HD2 . 18242 1 694 . 1 1 59 59 LEU C C 13 177.623 0.3 . 1 . . . . 59 LEU C . 18242 1 695 . 1 1 59 59 LEU CA C 13 57.746 0.3 . 1 . . . . 59 LEU CA . 18242 1 696 . 1 1 59 59 LEU CB C 13 41.104 0.3 . 1 . . . . 59 LEU CB . 18242 1 697 . 1 1 59 59 LEU CG C 13 26.886 0.3 . 1 . . . . 59 LEU CG . 18242 1 698 . 1 1 59 59 LEU CD1 C 13 23.902 0.3 . 1 . . . . 59 LEU CD1 . 18242 1 699 . 1 1 59 59 LEU CD2 C 13 24.300 0.3 . 1 . . . . 59 LEU CD2 . 18242 1 700 . 1 1 59 59 LEU N N 15 122.879 0.3 . 1 . . . . 59 LEU N . 18242 1 701 . 1 1 60 60 ALA H H 1 8.539 0.020 . 1 . . . . 60 ALA H . 18242 1 702 . 1 1 60 60 ALA HA H 1 3.753 0.020 . 1 . . . . 60 ALA HA . 18242 1 703 . 1 1 60 60 ALA HB1 H 1 1.428 0.020 . 1 . . . . 60 ALA HB . 18242 1 704 . 1 1 60 60 ALA HB2 H 1 1.428 0.020 . 1 . . . . 60 ALA HB . 18242 1 705 . 1 1 60 60 ALA HB3 H 1 1.428 0.020 . 1 . . . . 60 ALA HB . 18242 1 706 . 1 1 60 60 ALA C C 13 178.381 0.3 . 1 . . . . 60 ALA C . 18242 1 707 . 1 1 60 60 ALA CA C 13 55.850 0.3 . 1 . . . . 60 ALA CA . 18242 1 708 . 1 1 60 60 ALA CB C 13 17.652 0.3 . 1 . . . . 60 ALA CB . 18242 1 709 . 1 1 60 60 ALA N N 15 120.619 0.3 . 1 . . . . 60 ALA N . 18242 1 710 . 1 1 61 61 GLU H H 1 7.666 0.020 . 1 . . . . 61 GLU H . 18242 1 711 . 1 1 61 61 GLU HA H 1 4.017 0.020 . 1 . . . . 61 GLU HA . 18242 1 712 . 1 1 61 61 GLU HB2 H 1 2.100 0.020 . 1 . . . . 61 GLU HB2 . 18242 1 713 . 1 1 61 61 GLU HB3 H 1 2.100 0.020 . 1 . . . . 61 GLU HB3 . 18242 1 714 . 1 1 61 61 GLU HG2 H 1 2.424 0.020 . 1 . . . . 61 GLU HG2 . 18242 1 715 . 1 1 61 61 GLU HG3 H 1 2.424 0.020 . 1 . . . . 61 GLU HG3 . 18242 1 716 . 1 1 61 61 GLU C C 13 179.186 0.3 . 1 . . . . 61 GLU C . 18242 1 717 . 1 1 61 61 GLU CA C 13 59.115 0.3 . 1 . . . . 61 GLU CA . 18242 1 718 . 1 1 61 61 GLU CB C 13 29.253 0.3 . 1 . . . . 61 GLU CB . 18242 1 719 . 1 1 61 61 GLU CG C 13 35.561 0.3 . 1 . . . . 61 GLU CG . 18242 1 720 . 1 1 61 61 GLU N N 15 114.267 0.3 . 1 . . . . 61 GLU N . 18242 1 721 . 1 1 62 62 LEU H H 1 7.997 0.020 . 1 . . . . 62 LEU H . 18242 1 722 . 1 1 62 62 LEU HA H 1 4.145 0.020 . 1 . . . . 62 LEU HA . 18242 1 723 . 1 1 62 62 LEU HB2 H 1 1.896 0.020 . 2 . . . . 62 LEU HB2 . 18242 1 724 . 1 1 62 62 LEU HB3 H 1 1.738 0.020 . 2 . . . . 62 LEU HB3 . 18242 1 725 . 1 1 62 62 LEU HG H 1 1.397 0.020 . 1 . . . . 62 LEU HG . 18242 1 726 . 1 1 62 62 LEU HD11 H 1 0.912 0.020 . 2 . . . . 62 LEU HD1 . 18242 1 727 . 1 1 62 62 LEU HD12 H 1 0.912 0.020 . 2 . . . . 62 LEU HD1 . 18242 1 728 . 1 1 62 62 LEU HD13 H 1 0.912 0.020 . 2 . . . . 62 LEU HD1 . 18242 1 729 . 1 1 62 62 LEU HD21 H 1 0.832 0.020 . 2 . . . . 62 LEU HD2 . 18242 1 730 . 1 1 62 62 LEU HD22 H 1 0.832 0.020 . 2 . . . . 62 LEU HD2 . 18242 1 731 . 1 1 62 62 LEU HD23 H 1 0.832 0.020 . 2 . . . . 62 LEU HD2 . 18242 1 732 . 1 1 62 62 LEU C C 13 179.090 0.3 . 1 . . . . 62 LEU C . 18242 1 733 . 1 1 62 62 LEU CA C 13 58.164 0.3 . 1 . . . . 62 LEU CA . 18242 1 734 . 1 1 62 62 LEU CB C 13 42.115 0.3 . 1 . . . . 62 LEU CB . 18242 1 735 . 1 1 62 62 LEU CG C 13 26.190 0.3 . 1 . . . . 62 LEU CG . 18242 1 736 . 1 1 62 62 LEU CD1 C 13 24.101 0.3 . 1 . . . . 62 LEU CD1 . 18242 1 737 . 1 1 62 62 LEU CD2 C 13 24.002 0.3 . 1 . . . . 62 LEU CD2 . 18242 1 738 . 1 1 62 62 LEU N N 15 121.988 0.3 . 1 . . . . 62 LEU N . 18242 1 739 . 1 1 63 63 LEU H H 1 8.473 0.020 . 1 . . . . 63 LEU H . 18242 1 740 . 1 1 63 63 LEU HA H 1 3.994 0.020 . 1 . . . . 63 LEU HA . 18242 1 741 . 1 1 63 63 LEU HB2 H 1 2.035 0.020 . 1 . . . . 63 LEU HB2 . 18242 1 742 . 1 1 63 63 LEU HB3 H 1 2.035 0.020 . 1 . . . . 63 LEU HB3 . 18242 1 743 . 1 1 63 63 LEU HG H 1 1.362 0.020 . 1 . . . . 63 LEU HG . 18242 1 744 . 1 1 63 63 LEU HD11 H 1 0.824 0.020 . 2 . . . . 63 LEU HD1 . 18242 1 745 . 1 1 63 63 LEU HD12 H 1 0.824 0.020 . 2 . . . . 63 LEU HD1 . 18242 1 746 . 1 1 63 63 LEU HD13 H 1 0.824 0.020 . 2 . . . . 63 LEU HD1 . 18242 1 747 . 1 1 63 63 LEU HD21 H 1 0.852 0.020 . 2 . . . . 63 LEU HD2 . 18242 1 748 . 1 1 63 63 LEU HD22 H 1 0.852 0.020 . 2 . . . . 63 LEU HD2 . 18242 1 749 . 1 1 63 63 LEU HD23 H 1 0.852 0.020 . 2 . . . . 63 LEU HD2 . 18242 1 750 . 1 1 63 63 LEU C C 13 179.078 0.3 . 1 . . . . 63 LEU C . 18242 1 751 . 1 1 63 63 LEU CA C 13 57.985 0.3 . 1 . . . . 63 LEU CA . 18242 1 752 . 1 1 63 63 LEU CB C 13 42.665 0.3 . 1 . . . . 63 LEU CB . 18242 1 753 . 1 1 63 63 LEU CG C 13 26.370 0.3 . 1 . . . . 63 LEU CG . 18242 1 754 . 1 1 63 63 LEU CD1 C 13 22.632 0.3 . 1 . . . . 63 LEU CD1 . 18242 1 755 . 1 1 63 63 LEU CD2 C 13 22.609 0.3 . 1 . . . . 63 LEU CD2 . 18242 1 756 . 1 1 63 63 LEU N N 15 117.212 0.3 . 1 . . . . 63 LEU N . 18242 1 757 . 1 1 64 64 ILE H H 1 8.305 0.020 . 1 . . . . 64 ILE H . 18242 1 758 . 1 1 64 64 ILE HA H 1 3.340 0.020 . 1 . . . . 64 ILE HA . 18242 1 759 . 1 1 64 64 ILE HB H 1 1.807 0.020 . 1 . . . . 64 ILE HB . 18242 1 760 . 1 1 64 64 ILE HG12 H 1 0.853 0.020 . 2 . . . . 64 ILE HG12 . 18242 1 761 . 1 1 64 64 ILE HG13 H 1 0.878 0.020 . 2 . . . . 64 ILE HG13 . 18242 1 762 . 1 1 64 64 ILE HG21 H 1 0.937 0.020 . 1 . . . . 64 ILE HG2 . 18242 1 763 . 1 1 64 64 ILE HG22 H 1 0.937 0.020 . 1 . . . . 64 ILE HG2 . 18242 1 764 . 1 1 64 64 ILE HG23 H 1 0.937 0.020 . 1 . . . . 64 ILE HG2 . 18242 1 765 . 1 1 64 64 ILE HD11 H 1 0.820 0.020 . 1 . . . . 64 ILE HD1 . 18242 1 766 . 1 1 64 64 ILE HD12 H 1 0.820 0.020 . 1 . . . . 64 ILE HD1 . 18242 1 767 . 1 1 64 64 ILE HD13 H 1 0.820 0.020 . 1 . . . . 64 ILE HD1 . 18242 1 768 . 1 1 64 64 ILE C C 13 179.091 0.3 . 1 . . . . 64 ILE C . 18242 1 769 . 1 1 64 64 ILE CA C 13 65.729 0.3 . 1 . . . . 64 ILE CA . 18242 1 770 . 1 1 64 64 ILE CB C 13 37.764 0.3 . 1 . . . . 64 ILE CB . 18242 1 771 . 1 1 64 64 ILE CG1 C 13 30.268 0.3 . 1 . . . . 64 ILE CG1 . 18242 1 772 . 1 1 64 64 ILE CG2 C 13 17.436 0.3 . 1 . . . . 64 ILE CG2 . 18242 1 773 . 1 1 64 64 ILE CD1 C 13 13.557 0.3 . 1 . . . . 64 ILE CD1 . 18242 1 774 . 1 1 64 64 ILE N N 15 119.152 0.3 . 1 . . . . 64 ILE N . 18242 1 775 . 1 1 65 65 SER H H 1 8.425 0.020 . 1 . . . . 65 SER H . 18242 1 776 . 1 1 65 65 SER HA H 1 4.005 0.020 . 1 . . . . 65 SER HA . 18242 1 777 . 1 1 65 65 SER HB2 H 1 3.507 0.020 . 1 . . . . 65 SER HB2 . 18242 1 778 . 1 1 65 65 SER HB3 H 1 3.507 0.020 . 1 . . . . 65 SER HB3 . 18242 1 779 . 1 1 65 65 SER C C 13 179.078 0.3 . 1 . . . . 65 SER C . 18242 1 780 . 1 1 65 65 SER CA C 13 61.605 0.3 . 1 . . . . 65 SER CA . 18242 1 781 . 1 1 65 65 SER CB C 13 62.788 0.3 . 1 . . . . 65 SER CB . 18242 1 782 . 1 1 65 65 SER N N 15 116.957 0.3 . 1 . . . . 65 SER N . 18242 1 783 . 1 1 66 66 LYS H H 1 7.965 0.020 . 1 . . . . 66 LYS H . 18242 1 784 . 1 1 66 66 LYS HA H 1 3.965 0.020 . 1 . . . . 66 LYS HA . 18242 1 785 . 1 1 66 66 LYS HB2 H 1 1.322 0.020 . 2 . . . . 66 LYS HB2 . 18242 1 786 . 1 1 66 66 LYS HB3 H 1 0.917 0.020 . 2 . . . . 66 LYS HB3 . 18242 1 787 . 1 1 66 66 LYS HG2 H 1 1.074 0.020 . 2 . . . . 66 LYS HG2 . 18242 1 788 . 1 1 66 66 LYS HG3 H 1 0.865 0.020 . 2 . . . . 66 LYS HG3 . 18242 1 789 . 1 1 66 66 LYS HD2 H 1 1.827 0.020 . 1 . . . . 66 LYS HD2 . 18242 1 790 . 1 1 66 66 LYS HD3 H 1 1.827 0.020 . 1 . . . . 66 LYS HD3 . 18242 1 791 . 1 1 66 66 LYS HE2 H 1 3.186 0.020 . 1 . . . . 66 LYS HE2 . 18242 1 792 . 1 1 66 66 LYS HE3 H 1 3.186 0.020 . 1 . . . . 66 LYS HE3 . 18242 1 793 . 1 1 66 66 LYS C C 13 178.249 0.3 . 1 . . . . 66 LYS C . 18242 1 794 . 1 1 66 66 LYS CA C 13 58.338 0.3 . 1 . . . . 66 LYS CA . 18242 1 795 . 1 1 66 66 LYS CB C 13 32.852 0.3 . 1 . . . . 66 LYS CB . 18242 1 796 . 1 1 66 66 LYS CG C 13 24.897 0.3 . 1 . . . . 66 LYS CG . 18242 1 797 . 1 1 66 66 LYS CD C 13 28.876 0.3 . 1 . . . . 66 LYS CD . 18242 1 798 . 1 1 66 66 LYS CE C 13 42.105 0.3 . 1 . . . . 66 LYS CE . 18242 1 799 . 1 1 66 66 LYS N N 15 118.961 0.3 . 1 . . . . 66 LYS N . 18242 1 800 . 1 1 67 67 TYR H H 1 8.143 0.020 . 1 . . . . 67 TYR H . 18242 1 801 . 1 1 67 67 TYR HA H 1 4.828 0.020 . 1 . . . . 67 TYR HA . 18242 1 802 . 1 1 67 67 TYR HB2 H 1 3.197 0.020 . 2 . . . . 67 TYR HB2 . 18242 1 803 . 1 1 67 67 TYR HB3 H 1 2.716 0.020 . 2 . . . . 67 TYR HB3 . 18242 1 804 . 1 1 67 67 TYR C C 13 177.497 0.3 . 1 . . . . 67 TYR C . 18242 1 805 . 1 1 67 67 TYR CA C 13 58.046 0.3 . 1 . . . . 67 TYR CA . 18242 1 806 . 1 1 67 67 TYR CB C 13 40.109 0.3 . 1 . . . . 67 TYR CB . 18242 1 807 . 1 1 67 67 TYR N N 15 113.351 0.3 . 1 . . . . 67 TYR N . 18242 1 808 . 1 1 68 68 GLY H H 1 8.080 0.020 . 1 . . . . 68 GLY H . 18242 1 809 . 1 1 68 68 GLY HA2 H 1 4.662 0.020 . 2 . . . . 68 GLY HA2 . 18242 1 810 . 1 1 68 68 GLY HA3 H 1 4.004 0.020 . 2 . . . . 68 GLY HA3 . 18242 1 811 . 1 1 68 68 GLY C C 13 173.421 0.3 . 1 . . . . 68 GLY C . 18242 1 812 . 1 1 68 68 GLY CA C 13 44.195 0.3 . 1 . . . . 68 GLY CA . 18242 1 813 . 1 1 68 68 GLY N N 15 110.523 0.3 . 1 . . . . 68 GLY N . 18242 1 814 . 1 1 69 69 GLU H H 1 8.834 0.020 . 1 . . . . 69 GLU H . 18242 1 815 . 1 1 69 69 GLU HA H 1 3.810 0.020 . 1 . . . . 69 GLU HA . 18242 1 816 . 1 1 69 69 GLU HB2 H 1 2.105 0.020 . 2 . . . . 69 GLU HB2 . 18242 1 817 . 1 1 69 69 GLU HB3 H 1 1.995 0.020 . 2 . . . . 69 GLU HB3 . 18242 1 818 . 1 1 69 69 GLU HG2 H 1 2.258 0.020 . 2 . . . . 69 GLU HG2 . 18242 1 819 . 1 1 69 69 GLU HG3 H 1 2.360 0.020 . 2 . . . . 69 GLU HG3 . 18242 1 820 . 1 1 69 69 GLU C C 13 176.937 0.3 . 1 . . . . 69 GLU C . 18242 1 821 . 1 1 69 69 GLU CA C 13 61.358 0.3 . 1 . . . . 69 GLU CA . 18242 1 822 . 1 1 69 69 GLU CB C 13 30.366 0.3 . 1 . . . . 69 GLU CB . 18242 1 823 . 1 1 69 69 GLU CG C 13 37.331 0.3 . 1 . . . . 69 GLU CG . 18242 1 824 . 1 1 69 69 GLU N N 15 118.350 0.3 . 1 . . . . 69 GLU N . 18242 1 825 . 1 1 70 70 LYS H H 1 8.268 0.020 . 1 . . . . 70 LYS H . 18242 1 826 . 1 1 70 70 LYS HA H 1 3.935 0.020 . 1 . . . . 70 LYS HA . 18242 1 827 . 1 1 70 70 LYS HB2 H 1 1.788 0.020 . 1 . . . . 70 LYS HB2 . 18242 1 828 . 1 1 70 70 LYS HB3 H 1 1.788 0.020 . 1 . . . . 70 LYS HB3 . 18242 1 829 . 1 1 70 70 LYS HG2 H 1 1.300 0.020 . 1 . . . . 70 LYS HG2 . 18242 1 830 . 1 1 70 70 LYS HG3 H 1 1.300 0.020 . 1 . . . . 70 LYS HG3 . 18242 1 831 . 1 1 70 70 LYS HD2 H 1 1.542 0.020 . 1 . . . . 70 LYS HD2 . 18242 1 832 . 1 1 70 70 LYS HD3 H 1 1.542 0.020 . 1 . . . . 70 LYS HD3 . 18242 1 833 . 1 1 70 70 LYS HE2 H 1 2.976 0.020 . 1 . . . . 70 LYS HE2 . 18242 1 834 . 1 1 70 70 LYS HE3 H 1 2.976 0.020 . 1 . . . . 70 LYS HE3 . 18242 1 835 . 1 1 70 70 LYS C C 13 179.551 0.3 . 1 . . . . 70 LYS C . 18242 1 836 . 1 1 70 70 LYS CA C 13 60.110 0.3 . 1 . . . . 70 LYS CA . 18242 1 837 . 1 1 70 70 LYS CB C 13 32.169 0.3 . 1 . . . . 70 LYS CB . 18242 1 838 . 1 1 70 70 LYS CG C 13 25.663 0.3 . 1 . . . . 70 LYS CG . 18242 1 839 . 1 1 70 70 LYS CD C 13 29.400 0.3 . 1 . . . . 70 LYS CD . 18242 1 840 . 1 1 70 70 LYS CE C 13 42.127 0.3 . 1 . . . . 70 LYS CE . 18242 1 841 . 1 1 70 70 LYS N N 15 117.171 0.3 . 1 . . . . 70 LYS N . 18242 1 842 . 1 1 71 71 GLU H H 1 8.756 0.020 . 1 . . . . 71 GLU H . 18242 1 843 . 1 1 71 71 GLU HA H 1 4.045 0.020 . 1 . . . . 71 GLU HA . 18242 1 844 . 1 1 71 71 GLU HB2 H 1 2.132 0.020 . 2 . . . . 71 GLU HB2 . 18242 1 845 . 1 1 71 71 GLU HB3 H 1 1.874 0.020 . 2 . . . . 71 GLU HB3 . 18242 1 846 . 1 1 71 71 GLU HG2 H 1 2.316 0.020 . 1 . . . . 71 GLU HG2 . 18242 1 847 . 1 1 71 71 GLU HG3 H 1 2.316 0.020 . 1 . . . . 71 GLU HG3 . 18242 1 848 . 1 1 71 71 GLU C C 13 178.342 0.3 . 1 . . . . 71 GLU C . 18242 1 849 . 1 1 71 71 GLU CA C 13 58.104 0.3 . 1 . . . . 71 GLU CA . 18242 1 850 . 1 1 71 71 GLU CB C 13 28.482 0.3 . 1 . . . . 71 GLU CB . 18242 1 851 . 1 1 71 71 GLU CG C 13 36.490 0.3 . 1 . . . . 71 GLU CG . 18242 1 852 . 1 1 71 71 GLU N N 15 118.917 0.3 . 1 . . . . 71 GLU N . 18242 1 853 . 1 1 72 72 ALA H H 1 8.348 0.020 . 1 . . . . 72 ALA H . 18242 1 854 . 1 1 72 72 ALA HA H 1 3.826 0.020 . 1 . . . . 72 ALA HA . 18242 1 855 . 1 1 72 72 ALA HB1 H 1 1.433 0.020 . 1 . . . . 72 ALA HB . 18242 1 856 . 1 1 72 72 ALA HB2 H 1 1.433 0.020 . 1 . . . . 72 ALA HB . 18242 1 857 . 1 1 72 72 ALA HB3 H 1 1.433 0.020 . 1 . . . . 72 ALA HB . 18242 1 858 . 1 1 72 72 ALA C C 13 178.773 0.3 . 1 . . . . 72 ALA C . 18242 1 859 . 1 1 72 72 ALA CA C 13 54.785 0.3 . 1 . . . . 72 ALA CA . 18242 1 860 . 1 1 72 72 ALA CB C 13 19.095 0.3 . 1 . . . . 72 ALA CB . 18242 1 861 . 1 1 72 72 ALA N N 15 120.863 0.3 . 1 . . . . 72 ALA N . 18242 1 862 . 1 1 73 73 VAL H H 1 7.356 0.020 . 1 . . . . 73 VAL H . 18242 1 863 . 1 1 73 73 VAL HA H 1 3.455 0.020 . 1 . . . . 73 VAL HA . 18242 1 864 . 1 1 73 73 VAL HB H 1 2.288 0.020 . 1 . . . . 73 VAL HB . 18242 1 865 . 1 1 73 73 VAL HG11 H 1 1.135 0.020 . 2 . . . . 73 VAL HG1 . 18242 1 866 . 1 1 73 73 VAL HG12 H 1 1.135 0.020 . 2 . . . . 73 VAL HG1 . 18242 1 867 . 1 1 73 73 VAL HG13 H 1 1.135 0.020 . 2 . . . . 73 VAL HG1 . 18242 1 868 . 1 1 73 73 VAL HG21 H 1 0.899 0.020 . 2 . . . . 73 VAL HG2 . 18242 1 869 . 1 1 73 73 VAL HG22 H 1 0.899 0.020 . 2 . . . . 73 VAL HG2 . 18242 1 870 . 1 1 73 73 VAL HG23 H 1 0.899 0.020 . 2 . . . . 73 VAL HG2 . 18242 1 871 . 1 1 73 73 VAL C C 13 177.120 0.3 . 1 . . . . 73 VAL C . 18242 1 872 . 1 1 73 73 VAL CA C 13 66.880 0.3 . 1 . . . . 73 VAL CA . 18242 1 873 . 1 1 73 73 VAL CB C 13 31.345 0.3 . 1 . . . . 73 VAL CB . 18242 1 874 . 1 1 73 73 VAL CG1 C 13 21.925 0.3 . 1 . . . . 73 VAL CG1 . 18242 1 875 . 1 1 73 73 VAL CG2 C 13 23.542 0.3 . 1 . . . . 73 VAL CG2 . 18242 1 876 . 1 1 73 73 VAL N N 15 114.489 0.3 . 1 . . . . 73 VAL N . 18242 1 877 . 1 1 74 74 LYS H H 1 7.459 0.020 . 1 . . . . 74 LYS H . 18242 1 878 . 1 1 74 74 LYS HA H 1 3.807 0.020 . 1 . . . . 74 LYS HA . 18242 1 879 . 1 1 74 74 LYS HB2 H 1 1.874 0.020 . 1 . . . . 74 LYS HB2 . 18242 1 880 . 1 1 74 74 LYS HB3 H 1 1.874 0.020 . 1 . . . . 74 LYS HB3 . 18242 1 881 . 1 1 74 74 LYS HG2 H 1 1.342 0.020 . 1 . . . . 74 LYS HG2 . 18242 1 882 . 1 1 74 74 LYS HG3 H 1 1.342 0.020 . 1 . . . . 74 LYS HG3 . 18242 1 883 . 1 1 74 74 LYS HD2 H 1 1.631 0.020 . 1 . . . . 74 LYS HD2 . 18242 1 884 . 1 1 74 74 LYS HD3 H 1 1.631 0.020 . 1 . . . . 74 LYS HD3 . 18242 1 885 . 1 1 74 74 LYS HE2 H 1 2.918 0.020 . 1 . . . . 74 LYS HE2 . 18242 1 886 . 1 1 74 74 LYS HE3 H 1 2.918 0.020 . 1 . . . . 74 LYS HE3 . 18242 1 887 . 1 1 74 74 LYS C C 13 179.371 0.3 . 1 . . . . 74 LYS C . 18242 1 888 . 1 1 74 74 LYS CA C 13 60.391 0.3 . 1 . . . . 74 LYS CA . 18242 1 889 . 1 1 74 74 LYS CB C 13 32.087 0.3 . 1 . . . . 74 LYS CB . 18242 1 890 . 1 1 74 74 LYS CG C 13 25.420 0.3 . 1 . . . . 74 LYS CG . 18242 1 891 . 1 1 74 74 LYS CD C 13 29.279 0.3 . 1 . . . . 74 LYS CD . 18242 1 892 . 1 1 74 74 LYS CE C 13 41.655 0.3 . 1 . . . . 74 LYS CE . 18242 1 893 . 1 1 74 74 LYS N N 15 118.668 0.3 . 1 . . . . 74 LYS N . 18242 1 894 . 1 1 75 75 VAL H H 1 8.359 0.020 . 1 . . . . 75 VAL H . 18242 1 895 . 1 1 75 75 VAL HA H 1 3.667 0.020 . 1 . . . . 75 VAL HA . 18242 1 896 . 1 1 75 75 VAL HB H 1 2.062 0.020 . 1 . . . . 75 VAL HB . 18242 1 897 . 1 1 75 75 VAL HG11 H 1 0.805 0.020 . 2 . . . . 75 VAL HG1 . 18242 1 898 . 1 1 75 75 VAL HG12 H 1 0.805 0.020 . 2 . . . . 75 VAL HG1 . 18242 1 899 . 1 1 75 75 VAL HG13 H 1 0.805 0.020 . 2 . . . . 75 VAL HG1 . 18242 1 900 . 1 1 75 75 VAL HG21 H 1 0.685 0.020 . 2 . . . . 75 VAL HG2 . 18242 1 901 . 1 1 75 75 VAL HG22 H 1 0.685 0.020 . 2 . . . . 75 VAL HG2 . 18242 1 902 . 1 1 75 75 VAL HG23 H 1 0.685 0.020 . 2 . . . . 75 VAL HG2 . 18242 1 903 . 1 1 75 75 VAL C C 13 178.015 0.3 . 1 . . . . 75 VAL C . 18242 1 904 . 1 1 75 75 VAL CA C 13 66.105 0.3 . 1 . . . . 75 VAL CA . 18242 1 905 . 1 1 75 75 VAL CB C 13 31.592 0.3 . 1 . . . . 75 VAL CB . 18242 1 906 . 1 1 75 75 VAL CG1 C 13 21.397 0.3 . 1 . . . . 75 VAL CG1 . 18242 1 907 . 1 1 75 75 VAL CG2 C 13 18.895 0.3 . 1 . . . . 75 VAL CG2 . 18242 1 908 . 1 1 75 75 VAL N N 15 118.640 0.3 . 1 . . . . 75 VAL N . 18242 1 909 . 1 1 76 76 VAL H H 1 7.558 0.020 . 1 . . . . 76 VAL H . 18242 1 910 . 1 1 76 76 VAL HA H 1 3.524 0.020 . 1 . . . . 76 VAL HA . 18242 1 911 . 1 1 76 76 VAL HB H 1 2.114 0.020 . 1 . . . . 76 VAL HB . 18242 1 912 . 1 1 76 76 VAL HG11 H 1 1.041 0.020 . 2 . . . . 76 VAL HG1 . 18242 1 913 . 1 1 76 76 VAL HG12 H 1 1.041 0.020 . 2 . . . . 76 VAL HG1 . 18242 1 914 . 1 1 76 76 VAL HG13 H 1 1.041 0.020 . 2 . . . . 76 VAL HG1 . 18242 1 915 . 1 1 76 76 VAL HG21 H 1 0.773 0.020 . 2 . . . . 76 VAL HG2 . 18242 1 916 . 1 1 76 76 VAL HG22 H 1 0.773 0.020 . 2 . . . . 76 VAL HG2 . 18242 1 917 . 1 1 76 76 VAL HG23 H 1 0.773 0.020 . 2 . . . . 76 VAL HG2 . 18242 1 918 . 1 1 76 76 VAL C C 13 177.215 0.3 . 1 . . . . 76 VAL C . 18242 1 919 . 1 1 76 76 VAL CA C 13 67.542 0.3 . 1 . . . . 76 VAL CA . 18242 1 920 . 1 1 76 76 VAL CB C 13 31.302 0.3 . 1 . . . . 76 VAL CB . 18242 1 921 . 1 1 76 76 VAL CG1 C 13 24.947 0.3 . 1 . . . . 76 VAL CG1 . 18242 1 922 . 1 1 76 76 VAL CG2 C 13 20.740 0.3 . 1 . . . . 76 VAL CG2 . 18242 1 923 . 1 1 76 76 VAL N N 15 120.239 0.3 . 1 . . . . 76 VAL N . 18242 1 924 . 1 1 77 77 LEU H H 1 8.845 0.020 . 1 . . . . 77 LEU H . 18242 1 925 . 1 1 77 77 LEU HA H 1 3.782 0.020 . 1 . . . . 77 LEU HA . 18242 1 926 . 1 1 77 77 LEU HB2 H 1 1.544 0.020 . 2 . . . . 77 LEU HB2 . 18242 1 927 . 1 1 77 77 LEU HB3 H 1 1.867 0.020 . 2 . . . . 77 LEU HB3 . 18242 1 928 . 1 1 77 77 LEU HG H 1 1.731 0.020 . 1 . . . . 77 LEU HG . 18242 1 929 . 1 1 77 77 LEU HD11 H 1 0.895 0.020 . 2 . . . . 77 LEU HD1 . 18242 1 930 . 1 1 77 77 LEU HD12 H 1 0.895 0.020 . 2 . . . . 77 LEU HD1 . 18242 1 931 . 1 1 77 77 LEU HD13 H 1 0.895 0.020 . 2 . . . . 77 LEU HD1 . 18242 1 932 . 1 1 77 77 LEU HD21 H 1 0.834 0.020 . 2 . . . . 77 LEU HD2 . 18242 1 933 . 1 1 77 77 LEU HD22 H 1 0.834 0.020 . 2 . . . . 77 LEU HD2 . 18242 1 934 . 1 1 77 77 LEU HD23 H 1 0.834 0.020 . 2 . . . . 77 LEU HD2 . 18242 1 935 . 1 1 77 77 LEU C C 13 178.614 0.3 . 1 . . . . 77 LEU C . 18242 1 936 . 1 1 77 77 LEU CA C 13 58.978 0.3 . 1 . . . . 77 LEU CA . 18242 1 937 . 1 1 77 77 LEU CB C 13 42.147 0.3 . 1 . . . . 77 LEU CB . 18242 1 938 . 1 1 77 77 LEU CG C 13 26.289 0.3 . 1 . . . . 77 LEU CG . 18242 1 939 . 1 1 77 77 LEU CD1 C 13 24.009 0.3 . 1 . . . . 77 LEU CD1 . 18242 1 940 . 1 1 77 77 LEU CD2 C 13 23.673 0.3 . 1 . . . . 77 LEU CD2 . 18242 1 941 . 1 1 77 77 LEU N N 15 120.784 0.3 . 1 . . . . 77 LEU N . 18242 1 942 . 1 1 78 78 LYS H H 1 7.728 0.020 . 1 . . . . 78 LYS H . 18242 1 943 . 1 1 78 78 LYS HA H 1 3.854 0.020 . 1 . . . . 78 LYS HA . 18242 1 944 . 1 1 78 78 LYS HB2 H 1 1.944 0.020 . 1 . . . . 78 LYS HB2 . 18242 1 945 . 1 1 78 78 LYS HB3 H 1 1.944 0.020 . 1 . . . . 78 LYS HB3 . 18242 1 946 . 1 1 78 78 LYS HG2 H 1 1.442 0.020 . 1 . . . . 78 LYS HG2 . 18242 1 947 . 1 1 78 78 LYS HG3 H 1 1.442 0.020 . 1 . . . . 78 LYS HG3 . 18242 1 948 . 1 1 78 78 LYS HD2 H 1 1.614 0.020 . 1 . . . . 78 LYS HD2 . 18242 1 949 . 1 1 78 78 LYS HD3 H 1 1.614 0.020 . 1 . . . . 78 LYS HD3 . 18242 1 950 . 1 1 78 78 LYS HE2 H 1 2.964 0.020 . 1 . . . . 78 LYS HE2 . 18242 1 951 . 1 1 78 78 LYS HE3 H 1 2.964 0.020 . 1 . . . . 78 LYS HE3 . 18242 1 952 . 1 1 78 78 LYS C C 13 179.373 0.3 . 1 . . . . 78 LYS C . 18242 1 953 . 1 1 78 78 LYS CA C 13 60.097 0.3 . 1 . . . . 78 LYS CA . 18242 1 954 . 1 1 78 78 LYS CB C 13 32.102 0.3 . 1 . . . . 78 LYS CB . 18242 1 955 . 1 1 78 78 LYS CG C 13 25.394 0.3 . 1 . . . . 78 LYS CG . 18242 1 956 . 1 1 78 78 LYS CD C 13 29.671 0.3 . 1 . . . . 78 LYS CD . 18242 1 957 . 1 1 78 78 LYS CE C 13 41.707 0.3 . 1 . . . . 78 LYS CE . 18242 1 958 . 1 1 78 78 LYS N N 15 117.756 0.3 . 1 . . . . 78 LYS N . 18242 1 959 . 1 1 79 79 GLY H H 1 7.671 0.020 . 1 . . . . 79 GLY H . 18242 1 960 . 1 1 79 79 GLY HA2 H 1 2.912 0.020 . 1 . . . . 79 GLY HA2 . 18242 1 961 . 1 1 79 79 GLY HA3 H 1 2.912 0.020 . 1 . . . . 79 GLY HA3 . 18242 1 962 . 1 1 79 79 GLY C C 13 174.502 0.3 . 1 . . . . 79 GLY C . 18242 1 963 . 1 1 79 79 GLY CA C 13 46.850 0.3 . 1 . . . . 79 GLY CA . 18242 1 964 . 1 1 79 79 GLY N N 15 106.329 0.3 . 1 . . . . 79 GLY N . 18242 1 965 . 1 1 80 80 LEU H H 1 8.630 0.020 . 1 . . . . 80 LEU H . 18242 1 966 . 1 1 80 80 LEU HA H 1 3.947 0.020 . 1 . . . . 80 LEU HA . 18242 1 967 . 1 1 80 80 LEU HB2 H 1 1.850 0.020 . 1 . . . . 80 LEU HB2 . 18242 1 968 . 1 1 80 80 LEU HB3 H 1 1.850 0.020 . 1 . . . . 80 LEU HB3 . 18242 1 969 . 1 1 80 80 LEU HG H 1 1.297 0.020 . 1 . . . . 80 LEU HG . 18242 1 970 . 1 1 80 80 LEU HD11 H 1 0.677 0.020 . 1 . . . . 80 LEU HD1 . 18242 1 971 . 1 1 80 80 LEU HD12 H 1 0.677 0.020 . 1 . . . . 80 LEU HD1 . 18242 1 972 . 1 1 80 80 LEU HD13 H 1 0.677 0.020 . 1 . . . . 80 LEU HD1 . 18242 1 973 . 1 1 80 80 LEU HD21 H 1 0.677 0.020 . 1 . . . . 80 LEU HD2 . 18242 1 974 . 1 1 80 80 LEU HD22 H 1 0.677 0.020 . 1 . . . . 80 LEU HD2 . 18242 1 975 . 1 1 80 80 LEU HD23 H 1 0.677 0.020 . 1 . . . . 80 LEU HD2 . 18242 1 976 . 1 1 80 80 LEU C C 13 178.973 0.3 . 1 . . . . 80 LEU C . 18242 1 977 . 1 1 80 80 LEU CA C 13 57.620 0.3 . 1 . . . . 80 LEU CA . 18242 1 978 . 1 1 80 80 LEU CB C 13 41.646 0.3 . 1 . . . . 80 LEU CB . 18242 1 979 . 1 1 80 80 LEU CG C 13 26.389 0.3 . 1 . . . . 80 LEU CG . 18242 1 980 . 1 1 80 80 LEU N N 15 120.274 0.3 . 1 . . . . 80 LEU N . 18242 1 981 . 1 1 81 81 LYS H H 1 8.014 0.020 . 1 . . . . 81 LYS H . 18242 1 982 . 1 1 81 81 LYS HA H 1 3.798 0.020 . 1 . . . . 81 LYS HA . 18242 1 983 . 1 1 81 81 LYS HB2 H 1 1.948 0.020 . 2 . . . . 81 LYS HB2 . 18242 1 984 . 1 1 81 81 LYS HB3 H 1 1.844 0.020 . 2 . . . . 81 LYS HB3 . 18242 1 985 . 1 1 81 81 LYS HG2 H 1 1.351 0.020 . 1 . . . . 81 LYS HG2 . 18242 1 986 . 1 1 81 81 LYS HG3 H 1 1.351 0.020 . 1 . . . . 81 LYS HG3 . 18242 1 987 . 1 1 81 81 LYS HD2 H 1 1.529 0.020 . 1 . . . . 81 LYS HD2 . 18242 1 988 . 1 1 81 81 LYS HD3 H 1 1.529 0.020 . 1 . . . . 81 LYS HD3 . 18242 1 989 . 1 1 81 81 LYS HE2 H 1 3.213 0.020 . 1 . . . . 81 LYS HE2 . 18242 1 990 . 1 1 81 81 LYS HE3 H 1 3.213 0.020 . 1 . . . . 81 LYS HE3 . 18242 1 991 . 1 1 81 81 LYS C C 13 180.862 0.3 . 1 . . . . 81 LYS C . 18242 1 992 . 1 1 81 81 LYS CA C 13 60.122 0.3 . 1 . . . . 81 LYS CA . 18242 1 993 . 1 1 81 81 LYS CB C 13 32.132 0.3 . 1 . . . . 81 LYS CB . 18242 1 994 . 1 1 81 81 LYS CG C 13 25.966 0.3 . 1 . . . . 81 LYS CG . 18242 1 995 . 1 1 81 81 LYS CD C 13 29.501 0.3 . 1 . . . . 81 LYS CD . 18242 1 996 . 1 1 81 81 LYS CE C 13 42.006 0.3 . 1 . . . . 81 LYS CE . 18242 1 997 . 1 1 81 81 LYS N N 15 118.690 0.3 . 1 . . . . 81 LYS N . 18242 1 998 . 1 1 82 82 VAL H H 1 7.723 0.020 . 1 . . . . 82 VAL H . 18242 1 999 . 1 1 82 82 VAL HA H 1 3.683 0.020 . 1 . . . . 82 VAL HA . 18242 1 1000 . 1 1 82 82 VAL HB H 1 1.983 0.020 . 1 . . . . 82 VAL HB . 18242 1 1001 . 1 1 82 82 VAL HG11 H 1 0.955 0.020 . 2 . . . . 82 VAL HG1 . 18242 1 1002 . 1 1 82 82 VAL HG12 H 1 0.955 0.020 . 2 . . . . 82 VAL HG1 . 18242 1 1003 . 1 1 82 82 VAL HG13 H 1 0.955 0.020 . 2 . . . . 82 VAL HG1 . 18242 1 1004 . 1 1 82 82 VAL HG21 H 1 0.771 0.020 . 2 . . . . 82 VAL HG2 . 18242 1 1005 . 1 1 82 82 VAL HG22 H 1 0.771 0.020 . 2 . . . . 82 VAL HG2 . 18242 1 1006 . 1 1 82 82 VAL HG23 H 1 0.771 0.020 . 2 . . . . 82 VAL HG2 . 18242 1 1007 . 1 1 82 82 VAL C C 13 177.874 0.3 . 1 . . . . 82 VAL C . 18242 1 1008 . 1 1 82 82 VAL CA C 13 65.957 0.3 . 1 . . . . 82 VAL CA . 18242 1 1009 . 1 1 82 82 VAL CB C 13 31.077 0.3 . 1 . . . . 82 VAL CB . 18242 1 1010 . 1 1 82 82 VAL CG1 C 13 22.402 0.3 . 1 . . . . 82 VAL CG1 . 18242 1 1011 . 1 1 82 82 VAL CG2 C 13 20.768 0.3 . 1 . . . . 82 VAL CG2 . 18242 1 1012 . 1 1 82 82 VAL N N 15 121.916 0.3 . 1 . . . . 82 VAL N . 18242 1 1013 . 1 1 83 83 MET H H 1 7.415 0.020 . 1 . . . . 83 MET H . 18242 1 1014 . 1 1 83 83 MET HA H 1 4.114 0.020 . 1 . . . . 83 MET HA . 18242 1 1015 . 1 1 83 83 MET HB2 H 1 2.389 0.020 . 2 . . . . 83 MET HB2 . 18242 1 1016 . 1 1 83 83 MET HB3 H 1 1.918 0.020 . 2 . . . . 83 MET HB3 . 18242 1 1017 . 1 1 83 83 MET HG2 H 1 2.518 0.020 . 1 . . . . 83 MET HG2 . 18242 1 1018 . 1 1 83 83 MET HG3 H 1 2.518 0.020 . 1 . . . . 83 MET HG3 . 18242 1 1019 . 1 1 83 83 MET HE1 H 1 2.100 0.020 . 1 . . . . 83 MET HE . 18242 1 1020 . 1 1 83 83 MET HE2 H 1 2.100 0.020 . 1 . . . . 83 MET HE . 18242 1 1021 . 1 1 83 83 MET HE3 H 1 2.100 0.020 . 1 . . . . 83 MET HE . 18242 1 1022 . 1 1 83 83 MET C C 13 174.615 0.3 . 1 . . . . 83 MET C . 18242 1 1023 . 1 1 83 83 MET CA C 13 56.363 0.3 . 1 . . . . 83 MET CA . 18242 1 1024 . 1 1 83 83 MET CB C 13 34.093 0.3 . 1 . . . . 83 MET CB . 18242 1 1025 . 1 1 83 83 MET CG C 13 31.824 0.3 . 1 . . . . 83 MET CG . 18242 1 1026 . 1 1 83 83 MET CE C 13 16.805 0.3 . 1 . . . . 83 MET CE . 18242 1 1027 . 1 1 83 83 MET N N 15 116.851 0.3 . 1 . . . . 83 MET N . 18242 1 1028 . 1 1 84 84 ASN H H 1 8.004 0.020 . 1 . . . . 84 ASN H . 18242 1 1029 . 1 1 84 84 ASN HA H 1 4.227 0.020 . 1 . . . . 84 ASN HA . 18242 1 1030 . 1 1 84 84 ASN HB2 H 1 3.282 0.020 . 2 . . . . 84 ASN HB2 . 18242 1 1031 . 1 1 84 84 ASN HB3 H 1 2.681 0.020 . 2 . . . . 84 ASN HB3 . 18242 1 1032 . 1 1 84 84 ASN C C 13 175.205 0.3 . 1 . . . . 84 ASN C . 18242 1 1033 . 1 1 84 84 ASN CA C 13 54.231 0.3 . 1 . . . . 84 ASN CA . 18242 1 1034 . 1 1 84 84 ASN CB C 13 37.759 0.3 . 1 . . . . 84 ASN CB . 18242 1 1035 . 1 1 84 84 ASN N N 15 115.440 0.3 . 1 . . . . 84 ASN N . 18242 1 1036 . 1 1 85 85 LEU H H 1 7.935 0.020 . 1 . . . . 85 LEU H . 18242 1 1037 . 1 1 85 85 LEU HA H 1 4.765 0.020 . 1 . . . . 85 LEU HA . 18242 1 1038 . 1 1 85 85 LEU HB2 H 1 1.634 0.020 . 1 . . . . 85 LEU HB2 . 18242 1 1039 . 1 1 85 85 LEU HB3 H 1 1.634 0.020 . 1 . . . . 85 LEU HB3 . 18242 1 1040 . 1 1 85 85 LEU HG H 1 1.533 0.020 . 1 . . . . 85 LEU HG . 18242 1 1041 . 1 1 85 85 LEU HD11 H 1 0.883 0.020 . 1 . . . . 85 LEU HD1 . 18242 1 1042 . 1 1 85 85 LEU HD12 H 1 0.883 0.020 . 1 . . . . 85 LEU HD1 . 18242 1 1043 . 1 1 85 85 LEU HD13 H 1 0.883 0.020 . 1 . . . . 85 LEU HD1 . 18242 1 1044 . 1 1 85 85 LEU HD21 H 1 0.883 0.020 . 1 . . . . 85 LEU HD2 . 18242 1 1045 . 1 1 85 85 LEU HD22 H 1 0.883 0.020 . 1 . . . . 85 LEU HD2 . 18242 1 1046 . 1 1 85 85 LEU HD23 H 1 0.883 0.020 . 1 . . . . 85 LEU HD2 . 18242 1 1047 . 1 1 85 85 LEU C C 13 177.665 0.3 . 1 . . . . 85 LEU C . 18242 1 1048 . 1 1 85 85 LEU CA C 13 53.435 0.3 . 1 . . . . 85 LEU CA . 18242 1 1049 . 1 1 85 85 LEU CB C 13 39.051 0.3 . 1 . . . . 85 LEU CB . 18242 1 1050 . 1 1 85 85 LEU CG C 13 26.585 0.3 . 1 . . . . 85 LEU CG . 18242 1 1051 . 1 1 85 85 LEU CD1 C 13 22.907 0.3 . 1 . . . . 85 LEU CD1 . 18242 1 1052 . 1 1 85 85 LEU CD2 C 13 20.818 0.3 . 1 . . . . 85 LEU CD2 . 18242 1 1053 . 1 1 85 85 LEU N N 15 122.825 0.3 . 1 . . . . 85 LEU N . 18242 1 1054 . 1 1 86 86 LEU H H 1 7.323 0.020 . 1 . . . . 86 LEU H . 18242 1 1055 . 1 1 86 86 LEU HA H 1 3.754 0.020 . 1 . . . . 86 LEU HA . 18242 1 1056 . 1 1 86 86 LEU HB2 H 1 1.544 0.020 . 1 . . . . 86 LEU HB2 . 18242 1 1057 . 1 1 86 86 LEU HB3 H 1 1.544 0.020 . 1 . . . . 86 LEU HB3 . 18242 1 1058 . 1 1 86 86 LEU HG H 1 1.754 0.020 . 1 . . . . 86 LEU HG . 18242 1 1059 . 1 1 86 86 LEU HD11 H 1 0.956 0.020 . 1 . . . . 86 LEU HD1 . 18242 1 1060 . 1 1 86 86 LEU HD12 H 1 0.956 0.020 . 1 . . . . 86 LEU HD1 . 18242 1 1061 . 1 1 86 86 LEU HD13 H 1 0.956 0.020 . 1 . . . . 86 LEU HD1 . 18242 1 1062 . 1 1 86 86 LEU C C 13 179.375 0.3 . 1 . . . . 86 LEU C . 18242 1 1063 . 1 1 86 86 LEU CA C 13 57.836 0.3 . 1 . . . . 86 LEU CA . 18242 1 1064 . 1 1 86 86 LEU CB C 13 40.609 0.3 . 1 . . . . 86 LEU CB . 18242 1 1065 . 1 1 86 86 LEU N N 15 117.348 0.3 . 1 . . . . 86 LEU N . 18242 1 1066 . 1 1 87 87 GLU H H 1 8.741 0.020 . 1 . . . . 87 GLU H . 18242 1 1067 . 1 1 87 87 GLU HA H 1 4.227 0.020 . 1 . . . . 87 GLU HA . 18242 1 1068 . 1 1 87 87 GLU HB2 H 1 2.085 0.020 . 1 . . . . 87 GLU HB2 . 18242 1 1069 . 1 1 87 87 GLU HB3 H 1 2.085 0.020 . 1 . . . . 87 GLU HB3 . 18242 1 1070 . 1 1 87 87 GLU HG2 H 1 2.344 0.020 . 1 . . . . 87 GLU HG2 . 18242 1 1071 . 1 1 87 87 GLU HG3 H 1 2.344 0.020 . 1 . . . . 87 GLU HG3 . 18242 1 1072 . 1 1 87 87 GLU C C 13 179.279 0.3 . 1 . . . . 87 GLU C . 18242 1 1073 . 1 1 87 87 GLU CA C 13 59.728 0.3 . 1 . . . . 87 GLU CA . 18242 1 1074 . 1 1 87 87 GLU CB C 13 28.730 0.3 . 1 . . . . 87 GLU CB . 18242 1 1075 . 1 1 87 87 GLU CG C 13 36.734 0.3 . 1 . . . . 87 GLU CG . 18242 1 1076 . 1 1 87 87 GLU N N 15 120.466 0.3 . 1 . . . . 87 GLU N . 18242 1 1077 . 1 1 88 88 LEU H H 1 7.702 0.020 . 1 . . . . 88 LEU H . 18242 1 1078 . 1 1 88 88 LEU HA H 1 4.281 0.020 . 1 . . . . 88 LEU HA . 18242 1 1079 . 1 1 88 88 LEU HB2 H 1 1.762 0.020 . 2 . . . . 88 LEU HB2 . 18242 1 1080 . 1 1 88 88 LEU HB3 H 1 1.525 0.020 . 2 . . . . 88 LEU HB3 . 18242 1 1081 . 1 1 88 88 LEU HG H 1 1.546 0.020 . 1 . . . . 88 LEU HG . 18242 1 1082 . 1 1 88 88 LEU HD11 H 1 0.836 0.020 . 2 . . . . 88 LEU HD1 . 18242 1 1083 . 1 1 88 88 LEU HD12 H 1 0.836 0.020 . 2 . . . . 88 LEU HD1 . 18242 1 1084 . 1 1 88 88 LEU HD13 H 1 0.836 0.020 . 2 . . . . 88 LEU HD1 . 18242 1 1085 . 1 1 88 88 LEU HD21 H 1 0.878 0.020 . 2 . . . . 88 LEU HD2 . 18242 1 1086 . 1 1 88 88 LEU HD22 H 1 0.878 0.020 . 2 . . . . 88 LEU HD2 . 18242 1 1087 . 1 1 88 88 LEU HD23 H 1 0.878 0.020 . 2 . . . . 88 LEU HD2 . 18242 1 1088 . 1 1 88 88 LEU C C 13 178.998 0.3 . 1 . . . . 88 LEU C . 18242 1 1089 . 1 1 88 88 LEU CA C 13 57.350 0.3 . 1 . . . . 88 LEU CA . 18242 1 1090 . 1 1 88 88 LEU CB C 13 42.313 0.3 . 1 . . . . 88 LEU CB . 18242 1 1091 . 1 1 88 88 LEU CG C 13 26.689 0.3 . 1 . . . . 88 LEU CG . 18242 1 1092 . 1 1 88 88 LEU CD1 C 13 24.837 0.3 . 1 . . . . 88 LEU CD1 . 18242 1 1093 . 1 1 88 88 LEU CD2 C 13 24.837 0.3 . 1 . . . . 88 LEU CD2 . 18242 1 1094 . 1 1 88 88 LEU N N 15 120.482 0.3 . 1 . . . . 88 LEU N . 18242 1 1095 . 1 1 89 89 VAL H H 1 7.802 0.020 . 1 . . . . 89 VAL H . 18242 1 1096 . 1 1 89 89 VAL HA H 1 4.207 0.020 . 1 . . . . 89 VAL HA . 18242 1 1097 . 1 1 89 89 VAL HB H 1 2.177 0.020 . 1 . . . . 89 VAL HB . 18242 1 1098 . 1 1 89 89 VAL HG11 H 1 0.894 0.020 . 2 . . . . 89 VAL HG1 . 18242 1 1099 . 1 1 89 89 VAL HG12 H 1 0.894 0.020 . 2 . . . . 89 VAL HG1 . 18242 1 1100 . 1 1 89 89 VAL HG13 H 1 0.894 0.020 . 2 . . . . 89 VAL HG1 . 18242 1 1101 . 1 1 89 89 VAL HG21 H 1 0.951 0.020 . 2 . . . . 89 VAL HG2 . 18242 1 1102 . 1 1 89 89 VAL HG22 H 1 0.951 0.020 . 2 . . . . 89 VAL HG2 . 18242 1 1103 . 1 1 89 89 VAL HG23 H 1 0.951 0.020 . 2 . . . . 89 VAL HG2 . 18242 1 1104 . 1 1 89 89 VAL C C 13 178.577 0.3 . 1 . . . . 89 VAL C . 18242 1 1105 . 1 1 89 89 VAL CA C 13 66.610 0.3 . 1 . . . . 89 VAL CA . 18242 1 1106 . 1 1 89 89 VAL CB C 13 31.558 0.3 . 1 . . . . 89 VAL CB . 18242 1 1107 . 1 1 89 89 VAL CG1 C 13 23.773 0.3 . 1 . . . . 89 VAL CG1 . 18242 1 1108 . 1 1 89 89 VAL CG2 C 13 20.986 0.3 . 1 . . . . 89 VAL CG2 . 18242 1 1109 . 1 1 89 89 VAL N N 15 118.614 0.3 . 1 . . . . 89 VAL N . 18242 1 1110 . 1 1 90 90 ASP H H 1 8.162 0.020 . 1 . . . . 90 ASP H . 18242 1 1111 . 1 1 90 90 ASP HA H 1 4.347 0.020 . 1 . . . . 90 ASP HA . 18242 1 1112 . 1 1 90 90 ASP HB2 H 1 2.731 0.020 . 1 . . . . 90 ASP HB2 . 18242 1 1113 . 1 1 90 90 ASP HB3 H 1 2.731 0.020 . 1 . . . . 90 ASP HB3 . 18242 1 1114 . 1 1 90 90 ASP C C 13 178.770 0.3 . 1 . . . . 90 ASP C . 18242 1 1115 . 1 1 90 90 ASP CA C 13 57.654 0.3 . 1 . . . . 90 ASP CA . 18242 1 1116 . 1 1 90 90 ASP CB C 13 40.849 0.3 . 1 . . . . 90 ASP CB . 18242 1 1117 . 1 1 90 90 ASP N N 15 120.623 0.3 . 1 . . . . 90 ASP N . 18242 1 1118 . 1 1 91 91 GLN H H 1 7.930 0.020 . 1 . . . . 91 GLN H . 18242 1 1119 . 1 1 91 91 GLN HA H 1 4.141 0.020 . 1 . . . . 91 GLN HA . 18242 1 1120 . 1 1 91 91 GLN HB2 H 1 2.316 0.020 . 2 . . . . 91 GLN HB2 . 18242 1 1121 . 1 1 91 91 GLN HB3 H 1 2.202 0.020 . 2 . . . . 91 GLN HB3 . 18242 1 1122 . 1 1 91 91 GLN HG2 H 1 2.398 0.020 . 1 . . . . 91 GLN HG2 . 18242 1 1123 . 1 1 91 91 GLN HG3 H 1 2.398 0.020 . 1 . . . . 91 GLN HG3 . 18242 1 1124 . 1 1 91 91 GLN C C 13 178.528 0.3 . 1 . . . . 91 GLN C . 18242 1 1125 . 1 1 91 91 GLN CA C 13 58.852 0.3 . 1 . . . . 91 GLN CA . 18242 1 1126 . 1 1 91 91 GLN CB C 13 29.362 0.3 . 1 . . . . 91 GLN CB . 18242 1 1127 . 1 1 91 91 GLN CG C 13 34.148 0.3 . 1 . . . . 91 GLN CG . 18242 1 1128 . 1 1 91 91 GLN N N 15 117.868 0.3 . 1 . . . . 91 GLN N . 18242 1 1129 . 1 1 92 92 LEU H H 1 8.509 0.020 . 1 . . . . 92 LEU H . 18242 1 1130 . 1 1 92 92 LEU HA H 1 4.278 0.020 . 1 . . . . 92 LEU HA . 18242 1 1131 . 1 1 92 92 LEU HB2 H 1 1.720 0.020 . 1 . . . . 92 LEU HB2 . 18242 1 1132 . 1 1 92 92 LEU HB3 H 1 1.720 0.020 . 1 . . . . 92 LEU HB3 . 18242 1 1133 . 1 1 92 92 LEU HG H 1 1.660 0.020 . 1 . . . . 92 LEU HG . 18242 1 1134 . 1 1 92 92 LEU HD11 H 1 0.847 0.020 . 2 . . . . 92 LEU HD1 . 18242 1 1135 . 1 1 92 92 LEU HD12 H 1 0.847 0.020 . 2 . . . . 92 LEU HD1 . 18242 1 1136 . 1 1 92 92 LEU HD13 H 1 0.847 0.020 . 2 . . . . 92 LEU HD1 . 18242 1 1137 . 1 1 92 92 LEU HD21 H 1 0.899 0.020 . 2 . . . . 92 LEU HD2 . 18242 1 1138 . 1 1 92 92 LEU HD22 H 1 0.899 0.020 . 2 . . . . 92 LEU HD2 . 18242 1 1139 . 1 1 92 92 LEU HD23 H 1 0.899 0.020 . 2 . . . . 92 LEU HD2 . 18242 1 1140 . 1 1 92 92 LEU C C 13 178.259 0.3 . 1 . . . . 92 LEU C . 18242 1 1141 . 1 1 92 92 LEU CA C 13 57.019 0.3 . 1 . . . . 92 LEU CA . 18242 1 1142 . 1 1 92 92 LEU CB C 13 42.144 0.3 . 1 . . . . 92 LEU CB . 18242 1 1143 . 1 1 92 92 LEU CG C 13 27.002 0.3 . 1 . . . . 92 LEU CG . 18242 1 1144 . 1 1 92 92 LEU CD1 C 13 24.500 0.3 . 1 . . . . 92 LEU CD1 . 18242 1 1145 . 1 1 92 92 LEU CD2 C 13 24.400 0.3 . 1 . . . . 92 LEU CD2 . 18242 1 1146 . 1 1 92 92 LEU N N 15 118.709 0.3 . 1 . . . . 92 LEU N . 18242 1 1147 . 1 1 93 93 SER H H 1 8.302 0.020 . 1 . . . . 93 SER H . 18242 1 1148 . 1 1 93 93 SER HA H 1 4.048 0.020 . 1 . . . . 93 SER HA . 18242 1 1149 . 1 1 93 93 SER HB2 H 1 3.872 0.020 . 1 . . . . 93 SER HB2 . 18242 1 1150 . 1 1 93 93 SER HB3 H 1 3.872 0.020 . 1 . . . . 93 SER HB3 . 18242 1 1151 . 1 1 93 93 SER C C 13 178.727 0.3 . 1 . . . . 93 SER C . 18242 1 1152 . 1 1 93 93 SER CA C 13 61.861 0.3 . 1 . . . . 93 SER CA . 18242 1 1153 . 1 1 93 93 SER CB C 13 62.775 0.3 . 1 . . . . 93 SER CB . 18242 1 1154 . 1 1 93 93 SER N N 15 114.044 0.3 . 1 . . . . 93 SER N . 18242 1 1155 . 1 1 94 94 HIS H H 1 7.751 0.020 . 1 . . . . 94 HIS H . 18242 1 1156 . 1 1 94 94 HIS HA H 1 4.296 0.020 . 1 . . . . 94 HIS HA . 18242 1 1157 . 1 1 94 94 HIS HB2 H 1 3.265 0.020 . 2 . . . . 94 HIS HB2 . 18242 1 1158 . 1 1 94 94 HIS HB3 H 1 3.152 0.020 . 2 . . . . 94 HIS HB3 . 18242 1 1159 . 1 1 94 94 HIS C C 13 176.652 0.3 . 1 . . . . 94 HIS C . 18242 1 1160 . 1 1 94 94 HIS CA C 13 58.270 0.3 . 1 . . . . 94 HIS CA . 18242 1 1161 . 1 1 94 94 HIS CB C 13 30.046 0.3 . 1 . . . . 94 HIS CB . 18242 1 1162 . 1 1 94 94 HIS N N 15 119.008 0.3 . 1 . . . . 94 HIS N . 18242 1 1163 . 1 1 95 95 ILE H H 1 7.532 0.020 . 1 . . . . 95 ILE H . 18242 1 1164 . 1 1 95 95 ILE HA H 1 3.956 0.020 . 1 . . . . 95 ILE HA . 18242 1 1165 . 1 1 95 95 ILE HB H 1 1.909 0.020 . 1 . . . . 95 ILE HB . 18242 1 1166 . 1 1 95 95 ILE HG12 H 1 1.448 0.020 . 2 . . . . 95 ILE HG12 . 18242 1 1167 . 1 1 95 95 ILE HG13 H 1 1.217 0.020 . 2 . . . . 95 ILE HG13 . 18242 1 1168 . 1 1 95 95 ILE HG21 H 1 0.862 0.020 . 1 . . . . 95 ILE HG2 . 18242 1 1169 . 1 1 95 95 ILE HG22 H 1 0.862 0.020 . 1 . . . . 95 ILE HG2 . 18242 1 1170 . 1 1 95 95 ILE HG23 H 1 0.862 0.020 . 1 . . . . 95 ILE HG2 . 18242 1 1171 . 1 1 95 95 ILE HD11 H 1 0.696 0.020 . 1 . . . . 95 ILE HD1 . 18242 1 1172 . 1 1 95 95 ILE HD12 H 1 0.696 0.020 . 1 . . . . 95 ILE HD1 . 18242 1 1173 . 1 1 95 95 ILE HD13 H 1 0.696 0.020 . 1 . . . . 95 ILE HD1 . 18242 1 1174 . 1 1 95 95 ILE CA C 13 62.507 0.3 . 1 . . . . 95 ILE CA . 18242 1 1175 . 1 1 95 95 ILE CB C 13 38.357 0.3 . 1 . . . . 95 ILE CB . 18242 1 1176 . 1 1 95 95 ILE CG1 C 13 27.980 0.3 . 1 . . . . 95 ILE CG1 . 18242 1 1177 . 1 1 95 95 ILE CG2 C 13 17.635 0.3 . 1 . . . . 95 ILE CG2 . 18242 1 1178 . 1 1 95 95 ILE CD1 C 13 13.756 0.3 . 1 . . . . 95 ILE CD1 . 18242 1 1179 . 1 1 95 95 ILE N N 15 117.063 0.3 . 1 . . . . 95 ILE N . 18242 1 1180 . 1 1 96 96 CYS H H 1 7.870 0.020 . 1 . . . . 96 CYS H . 18242 1 1181 . 1 1 96 96 CYS HA H 1 4.414 0.020 . 1 . . . . 96 CYS HA . 18242 1 1182 . 1 1 96 96 CYS HB2 H 1 2.878 0.020 . 2 . . . . 96 CYS HB2 . 18242 1 1183 . 1 1 96 96 CYS HB3 H 1 2.825 0.020 . 2 . . . . 96 CYS HB3 . 18242 1 1184 . 1 1 96 96 CYS C C 13 174.595 0.3 . 1 . . . . 96 CYS C . 18242 1 1185 . 1 1 96 96 CYS CA C 13 59.861 0.3 . 1 . . . . 96 CYS CA . 18242 1 1186 . 1 1 96 96 CYS CB C 13 28.219 0.3 . 1 . . . . 96 CYS CB . 18242 1 1187 . 1 1 96 96 CYS N N 15 117.638 0.3 . 1 . . . . 96 CYS N . 18242 1 1188 . 1 1 97 97 LEU H H 1 7.986 0.020 . 1 . . . . 97 LEU H . 18242 1 1189 . 1 1 97 97 LEU HA H 1 4.296 0.020 . 1 . . . . 97 LEU HA . 18242 1 1190 . 1 1 97 97 LEU HB2 H 1 1.565 0.020 . 1 . . . . 97 LEU HB2 . 18242 1 1191 . 1 1 97 97 LEU HB3 H 1 1.565 0.020 . 1 . . . . 97 LEU HB3 . 18242 1 1192 . 1 1 97 97 LEU C C 13 177.004 0.3 . 1 . . . . 97 LEU C . 18242 1 1193 . 1 1 97 97 LEU CA C 13 55.225 0.3 . 1 . . . . 97 LEU CA . 18242 1 1194 . 1 1 97 97 LEU CB C 13 42.053 0.3 . 1 . . . . 97 LEU CB . 18242 1 1195 . 1 1 97 97 LEU N N 15 122.243 0.3 . 1 . . . . 97 LEU N . 18242 1 1196 . 1 1 98 98 HIS HA H 1 4.198 0.020 . 1 . . . . 98 HIS HA . 18242 1 1197 . 1 1 98 98 HIS HB2 H 1 3.291 0.020 . 2 . . . . 98 HIS HB2 . 18242 1 1198 . 1 1 98 98 HIS HB3 H 1 3.109 0.020 . 2 . . . . 98 HIS HB3 . 18242 1 1199 . 1 1 98 98 HIS C C 13 177.968 0.3 . 1 . . . . 98 HIS C . 18242 1 1200 . 1 1 98 98 HIS CA C 13 61.522 0.3 . 1 . . . . 98 HIS CA . 18242 1 1201 . 1 1 98 98 HIS CB C 13 30.046 0.3 . 1 . . . . 98 HIS CB . 18242 1 1202 . 1 1 99 99 ASP H H 1 8.462 0.020 . 1 . . . . 99 ASP H . 18242 1 1203 . 1 1 99 99 ASP HA H 1 3.935 0.020 . 1 . . . . 99 ASP HA . 18242 1 1204 . 1 1 99 99 ASP HB2 H 1 2.597 0.020 . 2 . . . . 99 ASP HB2 . 18242 1 1205 . 1 1 99 99 ASP HB3 H 1 2.483 0.020 . 2 . . . . 99 ASP HB3 . 18242 1 1206 . 1 1 99 99 ASP C C 13 178.067 0.3 . 1 . . . . 99 ASP C . 18242 1 1207 . 1 1 99 99 ASP CA C 13 57.114 0.3 . 1 . . . . 99 ASP CA . 18242 1 1208 . 1 1 99 99 ASP CB C 13 41.880 0.3 . 1 . . . . 99 ASP CB . 18242 1 1209 . 1 1 99 99 ASP N N 15 118.512 0.3 . 1 . . . . 99 ASP N . 18242 1 1210 . 1 1 100 100 TYR HA H 1 4.473 0.020 . 1 . . . . 100 TYR HA . 18242 1 1211 . 1 1 100 100 TYR HB2 H 1 2.995 0.020 . 1 . . . . 100 TYR HB . 18242 1 1212 . 1 1 100 100 TYR HB3 H 1 2.995 0.020 . 1 . . . . 100 TYR HB . 18242 1 1213 . 1 1 100 100 TYR C C 13 175.347 0.3 . 1 . . . . 100 TYR C . 18242 1 1214 . 1 1 100 100 TYR CA C 13 58.119 0.3 . 1 . . . . 100 TYR CA . 18242 1 1215 . 1 1 100 100 TYR CB C 13 38.464 0.3 . 1 . . . . 100 TYR CB . 18242 1 1216 . 1 1 101 101 ARG H H 1 8.041 0.020 . 1 . . . . 101 ARG H . 18242 1 1217 . 1 1 101 101 ARG HA H 1 4.275 0.020 . 1 . . . . 101 ARG HA . 18242 1 1218 . 1 1 101 101 ARG HB2 H 1 1.808 0.020 . 2 . . . . 101 ARG HB2 . 18242 1 1219 . 1 1 101 101 ARG HB3 H 1 1.686 0.020 . 2 . . . . 101 ARG HB3 . 18242 1 1220 . 1 1 101 101 ARG HG2 H 1 1.546 0.020 . 1 . . . . 101 ARG HG2 . 18242 1 1221 . 1 1 101 101 ARG HG3 H 1 1.546 0.020 . 1 . . . . 101 ARG HG3 . 18242 1 1222 . 1 1 101 101 ARG HD2 H 1 3.161 0.020 . 1 . . . . 101 ARG HD2 . 18242 1 1223 . 1 1 101 101 ARG HD3 H 1 3.161 0.020 . 1 . . . . 101 ARG HD3 . 18242 1 1224 . 1 1 101 101 ARG C C 13 174.938 0.3 . 1 . . . . 101 ARG C . 18242 1 1225 . 1 1 101 101 ARG CA C 13 55.750 0.3 . 1 . . . . 101 ARG CA . 18242 1 1226 . 1 1 101 101 ARG CB C 13 31.065 0.3 . 1 . . . . 101 ARG CB . 18242 1 1227 . 1 1 101 101 ARG CG C 13 26.749 0.3 . 1 . . . . 101 ARG CG . 18242 1 1228 . 1 1 101 101 ARG CD C 13 43.182 0.3 . 1 . . . . 101 ARG CD . 18242 1 1229 . 1 1 101 101 ARG N N 15 123.612 0.3 . 1 . . . . 101 ARG N . 18242 1 1230 . 1 1 102 102 GLU H H 1 7.926 0.020 . 1 . . . . 102 GLU H . 18242 1 1231 . 1 1 102 102 GLU HA H 1 4.042 0.020 . 1 . . . . 102 GLU HA . 18242 1 1232 . 1 1 102 102 GLU HB2 H 1 2.149 0.020 . 2 . . . . 102 GLU HB2 . 18242 1 1233 . 1 1 102 102 GLU HB3 H 1 1.943 0.020 . 2 . . . . 102 GLU HB3 . 18242 1 1234 . 1 1 102 102 GLU HG2 H 1 2.205 0.020 . 2 . . . . 102 GLU HG2 . 18242 1 1235 . 1 1 102 102 GLU HG3 H 1 2.033 0.020 . 2 . . . . 102 GLU HG3 . 18242 1 1236 . 1 1 102 102 GLU C C 13 181.062 0.3 . 1 . . . . 102 GLU C . 18242 1 1237 . 1 1 102 102 GLU CA C 13 57.967 0.3 . 1 . . . . 102 GLU CA . 18242 1 1238 . 1 1 102 102 GLU CB C 13 31.018 0.3 . 1 . . . . 102 GLU CB . 18242 1 1239 . 1 1 102 102 GLU CG C 13 34.519 0.3 . 1 . . . . 102 GLU CG . 18242 1 1240 . 1 1 102 102 GLU N N 15 126.910 0.3 . 1 . . . . 102 GLU N . 18242 1 stop_ save_