data_5602 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5602 _Entry.Title ; Complete resonance assignments for the nudix hydrolase DR2356 of Deinococcus radiodurans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-26 _Entry.Accession_date 2002-11-26 _Entry.Last_release_date 2003-08-07 _Entry.Original_release_date 2003-08-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tuan Nguyen . N. . 5602 2 David Wemmer . E. . 5602 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5602 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 535 5602 '15N chemical shifts' 133 5602 '1H chemical shifts' 868 5602 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-08-07 2002-11-26 original author . 5602 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5602 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Complete resonance assignments for the nudix hydrolase DR2356 of Deinococcus radiodurans ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _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 181 _Citation.Page_last 182 _Citation.Year 2003 _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 Tuan Nguyen . N. . 5602 1 2 David Wemmer . E. . 5602 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DR2356 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DR2356 _Assembly.Entry_ID 5602 _Assembly.ID 1 _Assembly.Name DR2356 _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5602 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DR2356 1 $DR2356 . . . native . . . . . 5602 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID DR2356 abbreviation 5602 1 DR2356 system 5602 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DR2356 _Entity.Sf_category entity _Entity.Sf_framecode DR2356 _Entity.Entry_ID 5602 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DR2356 _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 ; MSANPPLRPRAVALIYDDQH HILLMLRHKNGKKYATLPGG GIEEGETPQGACAREVLEEV NLTVQVGEQVLELDNLHGAN PSHEHYFRCRVVSGEMRLGD GPEGIRQSEDNWYQPEWVAL NRLEEVNLVPEQVRELVRTQ EVNP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 GB AAF11902 . "MutT/nudix family protein [Deinococcus radiodurans R1]" . . . . . 100.00 144 100.00 100.00 1.98e-99 . . . . 5602 1 2 no REF NP_296077 . "MutT/nudix family protein [Deinococcus radiodurans R1]" . . . . . 100.00 144 100.00 100.00 1.98e-99 . . . . 5602 1 3 no REF WP_010888982 . "DNA mismatch repair protein MutT [Deinococcus radiodurans]" . . . . . 100.00 144 100.00 100.00 1.98e-99 . . . . 5602 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DR2356 abbreviation 5602 1 DR2356 common 5602 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 . MET . 5602 1 2 . SER . 5602 1 3 . ALA . 5602 1 4 . ASN . 5602 1 5 . PRO . 5602 1 6 . PRO . 5602 1 7 . LEU . 5602 1 8 . ARG . 5602 1 9 . PRO . 5602 1 10 . ARG . 5602 1 11 . ALA . 5602 1 12 . VAL . 5602 1 13 . ALA . 5602 1 14 . LEU . 5602 1 15 . ILE . 5602 1 16 . TYR . 5602 1 17 . ASP . 5602 1 18 . ASP . 5602 1 19 . GLN . 5602 1 20 . HIS . 5602 1 21 . HIS . 5602 1 22 . ILE . 5602 1 23 . LEU . 5602 1 24 . LEU . 5602 1 25 . MET . 5602 1 26 . LEU . 5602 1 27 . ARG . 5602 1 28 . HIS . 5602 1 29 . LYS . 5602 1 30 . ASN . 5602 1 31 . GLY . 5602 1 32 . LYS . 5602 1 33 . LYS . 5602 1 34 . TYR . 5602 1 35 . ALA . 5602 1 36 . THR . 5602 1 37 . LEU . 5602 1 38 . PRO . 5602 1 39 . GLY . 5602 1 40 . GLY . 5602 1 41 . GLY . 5602 1 42 . ILE . 5602 1 43 . GLU . 5602 1 44 . GLU . 5602 1 45 . GLY . 5602 1 46 . GLU . 5602 1 47 . THR . 5602 1 48 . PRO . 5602 1 49 . GLN . 5602 1 50 . GLY . 5602 1 51 . ALA . 5602 1 52 . CYS . 5602 1 53 . ALA . 5602 1 54 . ARG . 5602 1 55 . GLU . 5602 1 56 . VAL . 5602 1 57 . LEU . 5602 1 58 . GLU . 5602 1 59 . GLU . 5602 1 60 . VAL . 5602 1 61 . ASN . 5602 1 62 . LEU . 5602 1 63 . THR . 5602 1 64 . VAL . 5602 1 65 . GLN . 5602 1 66 . VAL . 5602 1 67 . GLY . 5602 1 68 . GLU . 5602 1 69 . GLN . 5602 1 70 . VAL . 5602 1 71 . LEU . 5602 1 72 . GLU . 5602 1 73 . LEU . 5602 1 74 . ASP . 5602 1 75 . ASN . 5602 1 76 . LEU . 5602 1 77 . HIS . 5602 1 78 . GLY . 5602 1 79 . ALA . 5602 1 80 . ASN . 5602 1 81 . PRO . 5602 1 82 . SER . 5602 1 83 . HIS . 5602 1 84 . GLU . 5602 1 85 . HIS . 5602 1 86 . TYR . 5602 1 87 . PHE . 5602 1 88 . ARG . 5602 1 89 . CYS . 5602 1 90 . ARG . 5602 1 91 . VAL . 5602 1 92 . VAL . 5602 1 93 . SER . 5602 1 94 . GLY . 5602 1 95 . GLU . 5602 1 96 . MET . 5602 1 97 . ARG . 5602 1 98 . LEU . 5602 1 99 . GLY . 5602 1 100 . ASP . 5602 1 101 . GLY . 5602 1 102 . PRO . 5602 1 103 . GLU . 5602 1 104 . GLY . 5602 1 105 . ILE . 5602 1 106 . ARG . 5602 1 107 . GLN . 5602 1 108 . SER . 5602 1 109 . GLU . 5602 1 110 . ASP . 5602 1 111 . ASN . 5602 1 112 . TRP . 5602 1 113 . TYR . 5602 1 114 . GLN . 5602 1 115 . PRO . 5602 1 116 . GLU . 5602 1 117 . TRP . 5602 1 118 . VAL . 5602 1 119 . ALA . 5602 1 120 . LEU . 5602 1 121 . ASN . 5602 1 122 . ARG . 5602 1 123 . LEU . 5602 1 124 . GLU . 5602 1 125 . GLU . 5602 1 126 . VAL . 5602 1 127 . ASN . 5602 1 128 . LEU . 5602 1 129 . VAL . 5602 1 130 . PRO . 5602 1 131 . GLU . 5602 1 132 . GLN . 5602 1 133 . VAL . 5602 1 134 . ARG . 5602 1 135 . GLU . 5602 1 136 . LEU . 5602 1 137 . VAL . 5602 1 138 . ARG . 5602 1 139 . THR . 5602 1 140 . GLN . 5602 1 141 . GLU . 5602 1 142 . VAL . 5602 1 143 . ASN . 5602 1 144 . PRO . 5602 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5602 1 . SER 2 2 5602 1 . ALA 3 3 5602 1 . ASN 4 4 5602 1 . PRO 5 5 5602 1 . PRO 6 6 5602 1 . LEU 7 7 5602 1 . ARG 8 8 5602 1 . PRO 9 9 5602 1 . ARG 10 10 5602 1 . ALA 11 11 5602 1 . VAL 12 12 5602 1 . ALA 13 13 5602 1 . LEU 14 14 5602 1 . ILE 15 15 5602 1 . TYR 16 16 5602 1 . ASP 17 17 5602 1 . ASP 18 18 5602 1 . GLN 19 19 5602 1 . HIS 20 20 5602 1 . HIS 21 21 5602 1 . ILE 22 22 5602 1 . LEU 23 23 5602 1 . LEU 24 24 5602 1 . MET 25 25 5602 1 . LEU 26 26 5602 1 . ARG 27 27 5602 1 . HIS 28 28 5602 1 . LYS 29 29 5602 1 . ASN 30 30 5602 1 . GLY 31 31 5602 1 . LYS 32 32 5602 1 . LYS 33 33 5602 1 . TYR 34 34 5602 1 . ALA 35 35 5602 1 . THR 36 36 5602 1 . LEU 37 37 5602 1 . PRO 38 38 5602 1 . GLY 39 39 5602 1 . GLY 40 40 5602 1 . GLY 41 41 5602 1 . ILE 42 42 5602 1 . GLU 43 43 5602 1 . GLU 44 44 5602 1 . GLY 45 45 5602 1 . GLU 46 46 5602 1 . THR 47 47 5602 1 . PRO 48 48 5602 1 . GLN 49 49 5602 1 . GLY 50 50 5602 1 . ALA 51 51 5602 1 . CYS 52 52 5602 1 . ALA 53 53 5602 1 . ARG 54 54 5602 1 . GLU 55 55 5602 1 . VAL 56 56 5602 1 . LEU 57 57 5602 1 . GLU 58 58 5602 1 . GLU 59 59 5602 1 . VAL 60 60 5602 1 . ASN 61 61 5602 1 . LEU 62 62 5602 1 . THR 63 63 5602 1 . VAL 64 64 5602 1 . GLN 65 65 5602 1 . VAL 66 66 5602 1 . GLY 67 67 5602 1 . GLU 68 68 5602 1 . GLN 69 69 5602 1 . VAL 70 70 5602 1 . LEU 71 71 5602 1 . GLU 72 72 5602 1 . LEU 73 73 5602 1 . ASP 74 74 5602 1 . ASN 75 75 5602 1 . LEU 76 76 5602 1 . HIS 77 77 5602 1 . GLY 78 78 5602 1 . ALA 79 79 5602 1 . ASN 80 80 5602 1 . PRO 81 81 5602 1 . SER 82 82 5602 1 . HIS 83 83 5602 1 . GLU 84 84 5602 1 . HIS 85 85 5602 1 . TYR 86 86 5602 1 . PHE 87 87 5602 1 . ARG 88 88 5602 1 . CYS 89 89 5602 1 . ARG 90 90 5602 1 . VAL 91 91 5602 1 . VAL 92 92 5602 1 . SER 93 93 5602 1 . GLY 94 94 5602 1 . GLU 95 95 5602 1 . MET 96 96 5602 1 . ARG 97 97 5602 1 . LEU 98 98 5602 1 . GLY 99 99 5602 1 . ASP 100 100 5602 1 . GLY 101 101 5602 1 . PRO 102 102 5602 1 . GLU 103 103 5602 1 . GLY 104 104 5602 1 . ILE 105 105 5602 1 . ARG 106 106 5602 1 . GLN 107 107 5602 1 . SER 108 108 5602 1 . GLU 109 109 5602 1 . ASP 110 110 5602 1 . ASN 111 111 5602 1 . TRP 112 112 5602 1 . TYR 113 113 5602 1 . GLN 114 114 5602 1 . PRO 115 115 5602 1 . GLU 116 116 5602 1 . TRP 117 117 5602 1 . VAL 118 118 5602 1 . ALA 119 119 5602 1 . LEU 120 120 5602 1 . ASN 121 121 5602 1 . ARG 122 122 5602 1 . LEU 123 123 5602 1 . GLU 124 124 5602 1 . GLU 125 125 5602 1 . VAL 126 126 5602 1 . ASN 127 127 5602 1 . LEU 128 128 5602 1 . VAL 129 129 5602 1 . PRO 130 130 5602 1 . GLU 131 131 5602 1 . GLN 132 132 5602 1 . VAL 133 133 5602 1 . ARG 134 134 5602 1 . GLU 135 135 5602 1 . LEU 136 136 5602 1 . VAL 137 137 5602 1 . ARG 138 138 5602 1 . THR 139 139 5602 1 . GLN 140 140 5602 1 . GLU 141 141 5602 1 . VAL 142 142 5602 1 . ASN 143 143 5602 1 . PRO 144 144 5602 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 5602 _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 $DR2356 . 1299 . . 'Deinococcus radiodurans' 'Deinococcus radiodurans' . . Eubacteria . Deinococcus radiodurans . . . . . . . . . . . . . . . . . . . . . 5602 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 5602 _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 $DR2356 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5602 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5602 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DR2356 '[U-99% 13C; U-99% 15N]' . . 1 $DR2356 . . 1.0 . . mM . . . . 5602 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5602 _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 pH 6.5 0.1 n/a 5602 1 temperature 298 1 K 5602 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5602 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5602 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5602 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 5602 1 2 NMR_spectrometer_2 Bruker DRX . 500 . . . 5602 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 5602 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5602 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5602 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5602 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5602 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5602 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5602 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 3 3 ALA CA C 13 52.552 0.40 . 1 . . . . . . . . 5602 1 2 . 1 1 3 3 ALA HA H 1 4.210 0.02 . 1 . . . . . . . . 5602 1 3 . 1 1 3 3 ALA CB C 13 19.618 0.40 . 1 . . . . . . . . 5602 1 4 . 1 1 3 3 ALA HB1 H 1 1.215 0.02 . 1 . . . . . . . . 5602 1 5 . 1 1 3 3 ALA HB2 H 1 1.215 0.02 . 1 . . . . . . . . 5602 1 6 . 1 1 3 3 ALA HB3 H 1 1.215 0.02 . 1 . . . . . . . . 5602 1 7 . 1 1 3 3 ALA C C 13 172.825 0.40 . 1 . . . . . . . . 5602 1 8 . 1 1 4 4 ASN N N 15 121.319 0.20 . 1 . . . . . . . . 5602 1 9 . 1 1 4 4 ASN H H 1 8.228 0.02 . 1 . . . . . . . . 5602 1 10 . 1 1 4 4 ASN CA C 13 51.002 0.40 . 1 . . . . . . . . 5602 1 11 . 1 1 4 4 ASN HA H 1 4.600 0.02 . 1 . . . . . . . . 5602 1 12 . 1 1 4 4 ASN CB C 13 41.700 0.40 . 1 . . . . . . . . 5602 1 13 . 1 1 4 4 ASN HB2 H 1 2.548 0.02 . 2 . . . . . . . . 5602 1 14 . 1 1 4 4 ASN HB3 H 1 2.705 0.02 . 2 . . . . . . . . 5602 1 15 . 1 1 4 4 ASN C C 13 175.932 0.40 . 1 . . . . . . . . 5602 1 16 . 1 1 6 6 PRO CA C 13 63.203 0.40 . 1 . . . . . . . . 5602 1 17 . 1 1 6 6 PRO HA H 1 4.237 0.02 . 1 . . . . . . . . 5602 1 18 . 1 1 6 6 PRO CB C 13 32.449 0.40 . 1 . . . . . . . . 5602 1 19 . 1 1 6 6 PRO HB2 H 1 1.828 0.02 . 2 . . . . . . . . 5602 1 20 . 1 1 6 6 PRO HB3 H 1 2.206 0.02 . 2 . . . . . . . . 5602 1 21 . 1 1 6 6 PRO CG C 13 27.663 0.40 . 1 . . . . . . . . 5602 1 22 . 1 1 6 6 PRO CD C 13 50.433 0.40 . 1 . . . . . . . . 5602 1 23 . 1 1 6 6 PRO HD2 H 1 3.571 0.02 . 2 . . . . . . . . 5602 1 24 . 1 1 6 6 PRO HD3 H 1 3.716 0.02 . 2 . . . . . . . . 5602 1 25 . 1 1 6 6 PRO C C 13 176.659 0.40 . 1 . . . . . . . . 5602 1 26 . 1 1 7 7 LEU N N 15 124.266 0.20 . 1 . . . . . . . . 5602 1 27 . 1 1 7 7 LEU H H 1 8.167 0.02 . 1 . . . . . . . . 5602 1 28 . 1 1 7 7 LEU CA C 13 54.424 0.40 . 1 . . . . . . . . 5602 1 29 . 1 1 7 7 LEU HA H 1 4.193 0.02 . 1 . . . . . . . . 5602 1 30 . 1 1 7 7 LEU CB C 13 43.169 0.40 . 1 . . . . . . . . 5602 1 31 . 1 1 7 7 LEU HB2 H 1 1.213 0.02 . 2 . . . . . . . . 5602 1 32 . 1 1 7 7 LEU HB3 H 1 1.552 0.02 . 2 . . . . . . . . 5602 1 33 . 1 1 7 7 LEU CG C 13 27.054 0.40 . 1 . . . . . . . . 5602 1 34 . 1 1 7 7 LEU HG H 1 1.468 0.02 . 1 . . . . . . . . 5602 1 35 . 1 1 7 7 LEU CD1 C 13 25.111 0.40 . 1 . . . . . . . . 5602 1 36 . 1 1 7 7 LEU HD11 H 1 0.738 0.02 . 1 . . . . . . . . 5602 1 37 . 1 1 7 7 LEU HD12 H 1 0.738 0.02 . 1 . . . . . . . . 5602 1 38 . 1 1 7 7 LEU HD13 H 1 0.738 0.02 . 1 . . . . . . . . 5602 1 39 . 1 1 7 7 LEU CD2 C 13 23.431 0.40 . 1 . . . . . . . . 5602 1 40 . 1 1 7 7 LEU HD21 H 1 0.677 0.02 . 1 . . . . . . . . 5602 1 41 . 1 1 7 7 LEU HD22 H 1 0.677 0.02 . 1 . . . . . . . . 5602 1 42 . 1 1 7 7 LEU HD23 H 1 0.677 0.02 . 1 . . . . . . . . 5602 1 43 . 1 1 7 7 LEU C C 13 176.956 0.40 . 1 . . . . . . . . 5602 1 44 . 1 1 8 8 ARG N N 15 126.585 0.20 . 1 . . . . . . . . 5602 1 45 . 1 1 8 8 ARG H H 1 8.227 0.02 . 1 . . . . . . . . 5602 1 46 . 1 1 8 8 ARG CA C 13 53.895 0.40 . 1 . . . . . . . . 5602 1 47 . 1 1 8 8 ARG HA H 1 4.544 0.02 . 1 . . . . . . . . 5602 1 48 . 1 1 8 8 ARG CB C 13 30.212 0.40 . 1 . . . . . . . . 5602 1 49 . 1 1 8 8 ARG HB2 H 1 1.352 0.02 . 2 . . . . . . . . 5602 1 50 . 1 1 8 8 ARG HB3 H 1 1.635 0.02 . 2 . . . . . . . . 5602 1 51 . 1 1 8 8 ARG HG2 H 1 0.745 0.02 . 2 . . . . . . . . 5602 1 52 . 1 1 8 8 ARG HG3 H 1 1.291 0.02 . 2 . . . . . . . . 5602 1 53 . 1 1 8 8 ARG CD C 13 43.426 0.40 . 1 . . . . . . . . 5602 1 54 . 1 1 8 8 ARG HD2 H 1 3.139 0.02 . 1 . . . . . . . . 5602 1 55 . 1 1 8 8 ARG HD3 H 1 3.139 0.02 . 1 . . . . . . . . 5602 1 56 . 1 1 8 8 ARG C C 13 174.827 0.40 . 1 . . . . . . . . 5602 1 57 . 1 1 9 9 PRO CA C 13 62.757 0.40 . 1 . . . . . . . . 5602 1 58 . 1 1 9 9 PRO HA H 1 5.390 0.02 . 1 . . . . . . . . 5602 1 59 . 1 1 9 9 PRO CB C 13 32.989 0.40 . 1 . . . . . . . . 5602 1 60 . 1 1 9 9 PRO HB2 H 1 2.265 0.02 . 2 . . . . . . . . 5602 1 61 . 1 1 9 9 PRO HB3 H 1 2.439 0.02 . 2 . . . . . . . . 5602 1 62 . 1 1 9 9 PRO CG C 13 27.452 0.40 . 1 . . . . . . . . 5602 1 63 . 1 1 9 9 PRO HG2 H 1 2.093 0.02 . 1 . . . . . . . . 5602 1 64 . 1 1 9 9 PRO HG3 H 1 2.093 0.02 . 1 . . . . . . . . 5602 1 65 . 1 1 9 9 PRO HD2 H 1 3.782 0.02 . 2 . . . . . . . . 5602 1 66 . 1 1 9 9 PRO HD3 H 1 3.962 0.02 . 2 . . . . . . . . 5602 1 67 . 1 1 9 9 PRO C C 13 176.659 0.40 . 1 . . . . . . . . 5602 1 68 . 1 1 10 10 ARG N N 15 124.266 0.20 . 1 . . . . . . . . 5602 1 69 . 1 1 10 10 ARG H H 1 9.009 0.02 . 1 . . . . . . . . 5602 1 70 . 1 1 10 10 ARG CA C 13 55.064 0.40 . 1 . . . . . . . . 5602 1 71 . 1 1 10 10 ARG HA H 1 4.929 0.02 . 1 . . . . . . . . 5602 1 72 . 1 1 10 10 ARG CB C 13 36.022 0.40 . 1 . . . . . . . . 5602 1 73 . 1 1 10 10 ARG HB2 H 1 1.465 0.02 . 2 . . . . . . . . 5602 1 74 . 1 1 10 10 ARG HB3 H 1 1.449 0.02 . 2 . . . . . . . . 5602 1 75 . 1 1 10 10 ARG CG C 13 28.639 0.40 . 1 . . . . . . . . 5602 1 76 . 1 1 10 10 ARG HG2 H 1 1.217 0.02 . 1 . . . . . . . . 5602 1 77 . 1 1 10 10 ARG HG3 H 1 1.217 0.02 . 1 . . . . . . . . 5602 1 78 . 1 1 10 10 ARG CD C 13 43.000 0.40 . 1 . . . . . . . . 5602 1 79 . 1 1 10 10 ARG HD2 H 1 3.110 0.02 . 2 . . . . . . . . 5602 1 80 . 1 1 10 10 ARG HD3 H 1 3.018 0.02 . 2 . . . . . . . . 5602 1 81 . 1 1 10 10 ARG C C 13 173.929 0.40 . 1 . . . . . . . . 5602 1 82 . 1 1 11 11 ALA N N 15 127.679 0.20 . 1 . . . . . . . . 5602 1 83 . 1 1 11 11 ALA H H 1 8.980 0.02 . 1 . . . . . . . . 5602 1 84 . 1 1 11 11 ALA CA C 13 50.455 0.40 . 1 . . . . . . . . 5602 1 85 . 1 1 11 11 ALA HA H 1 5.344 0.02 . 1 . . . . . . . . 5602 1 86 . 1 1 11 11 ALA CB C 13 22.145 0.40 . 1 . . . . . . . . 5602 1 87 . 1 1 11 11 ALA HB1 H 1 1.275 0.02 . 1 . . . . . . . . 5602 1 88 . 1 1 11 11 ALA HB2 H 1 1.275 0.02 . 1 . . . . . . . . 5602 1 89 . 1 1 11 11 ALA HB3 H 1 1.275 0.02 . 1 . . . . . . . . 5602 1 90 . 1 1 11 11 ALA C C 13 175.163 0.40 . 1 . . . . . . . . 5602 1 91 . 1 1 12 12 VAL N N 15 123.840 0.20 . 1 . . . . . . . . 5602 1 92 . 1 1 12 12 VAL H H 1 8.988 0.02 . 1 . . . . . . . . 5602 1 93 . 1 1 12 12 VAL CA C 13 61.248 0.40 . 1 . . . . . . . . 5602 1 94 . 1 1 12 12 VAL HA H 1 4.505 0.02 . 1 . . . . . . . . 5602 1 95 . 1 1 12 12 VAL CB C 13 34.481 0.40 . 1 . . . . . . . . 5602 1 96 . 1 1 12 12 VAL HB H 1 0.876 0.02 . 1 . . . . . . . . 5602 1 97 . 1 1 12 12 VAL CG2 C 13 20.425 0.40 . 1 . . . . . . . . 5602 1 98 . 1 1 12 12 VAL HG21 H 1 0.119 0.02 . 1 . . . . . . . . 5602 1 99 . 1 1 12 12 VAL HG22 H 1 0.119 0.02 . 1 . . . . . . . . 5602 1 100 . 1 1 12 12 VAL HG23 H 1 0.119 0.02 . 1 . . . . . . . . 5602 1 101 . 1 1 12 12 VAL CG1 C 13 24.259 0.40 . 1 . . . . . . . . 5602 1 102 . 1 1 12 12 VAL HG11 H 1 0.661 0.02 . 1 . . . . . . . . 5602 1 103 . 1 1 12 12 VAL HG12 H 1 0.661 0.02 . 1 . . . . . . . . 5602 1 104 . 1 1 12 12 VAL HG13 H 1 0.661 0.02 . 1 . . . . . . . . 5602 1 105 . 1 1 12 12 VAL C C 13 173.448 0.40 . 1 . . . . . . . . 5602 1 106 . 1 1 13 13 ALA N N 15 130.666 0.20 . 1 . . . . . . . . 5602 1 107 . 1 1 13 13 ALA H H 1 8.458 0.02 . 1 . . . . . . . . 5602 1 108 . 1 1 13 13 ALA CA C 13 50.823 0.40 . 1 . . . . . . . . 5602 1 109 . 1 1 13 13 ALA HA H 1 4.887 0.02 . 1 . . . . . . . . 5602 1 110 . 1 1 13 13 ALA CB C 13 23.924 0.40 . 1 . . . . . . . . 5602 1 111 . 1 1 13 13 ALA HB1 H 1 1.107 0.02 . 1 . . . . . . . . 5602 1 112 . 1 1 13 13 ALA HB2 H 1 1.107 0.02 . 1 . . . . . . . . 5602 1 113 . 1 1 13 13 ALA HB3 H 1 1.107 0.02 . 1 . . . . . . . . 5602 1 114 . 1 1 13 13 ALA C C 13 175.696 0.40 . 1 . . . . . . . . 5602 1 115 . 1 1 14 14 LEU N N 15 125.647 0.20 . 1 . . . . . . . . 5602 1 116 . 1 1 14 14 LEU H H 1 8.888 0.02 . 1 . . . . . . . . 5602 1 117 . 1 1 14 14 LEU CA C 13 55.135 0.40 . 1 . . . . . . . . 5602 1 118 . 1 1 14 14 LEU HA H 1 4.381 0.02 . 1 . . . . . . . . 5602 1 119 . 1 1 14 14 LEU CB C 13 42.574 0.40 . 1 . . . . . . . . 5602 1 120 . 1 1 14 14 LEU HB2 H 1 1.806 0.02 . 2 . . . . . . . . 5602 1 121 . 1 1 14 14 LEU HB3 H 1 1.507 0.02 . 2 . . . . . . . . 5602 1 122 . 1 1 14 14 LEU HG H 1 1.618 0.02 . 1 . . . . . . . . 5602 1 123 . 1 1 14 14 LEU CD1 C 13 26.706 0.40 . 2 . . . . . . . . 5602 1 124 . 1 1 14 14 LEU HD11 H 1 0.866 0.02 . 2 . . . . . . . . 5602 1 125 . 1 1 14 14 LEU HD12 H 1 0.866 0.02 . 2 . . . . . . . . 5602 1 126 . 1 1 14 14 LEU HD13 H 1 0.866 0.02 . 2 . . . . . . . . 5602 1 127 . 1 1 14 14 LEU HD21 H 1 0.962 0.02 . 2 . . . . . . . . 5602 1 128 . 1 1 14 14 LEU HD22 H 1 0.962 0.02 . 2 . . . . . . . . 5602 1 129 . 1 1 14 14 LEU HD23 H 1 0.962 0.02 . 2 . . . . . . . . 5602 1 130 . 1 1 14 14 LEU C C 13 174.224 0.40 . 1 . . . . . . . . 5602 1 131 . 1 1 15 15 ILE N N 15 128.533 0.20 . 1 . . . . . . . . 5602 1 132 . 1 1 15 15 ILE H H 1 9.294 0.02 . 1 . . . . . . . . 5602 1 133 . 1 1 15 15 ILE CA C 13 60.589 0.40 . 1 . . . . . . . . 5602 1 134 . 1 1 15 15 ILE HA H 1 4.302 0.02 . 1 . . . . . . . . 5602 1 135 . 1 1 15 15 ILE CB C 13 39.563 0.40 . 1 . . . . . . . . 5602 1 136 . 1 1 15 15 ILE HB H 1 1.743 0.02 . 1 . . . . . . . . 5602 1 137 . 1 1 15 15 ILE HG12 H 1 1.455 0.02 . 2 . . . . . . . . 5602 1 138 . 1 1 15 15 ILE HG13 H 1 1.415 0.02 . 2 . . . . . . . . 5602 1 139 . 1 1 15 15 ILE HD11 H 1 0.631 0.02 . 1 . . . . . . . . 5602 1 140 . 1 1 15 15 ILE HD12 H 1 0.631 0.02 . 1 . . . . . . . . 5602 1 141 . 1 1 15 15 ILE HD13 H 1 0.631 0.02 . 1 . . . . . . . . 5602 1 142 . 1 1 15 15 ILE CG2 C 13 19.147 0.40 . 2 . . . . . . . . 5602 1 143 . 1 1 15 15 ILE HG21 H 1 0.842 0.02 . 1 . . . . . . . . 5602 1 144 . 1 1 15 15 ILE HG22 H 1 0.842 0.02 . 1 . . . . . . . . 5602 1 145 . 1 1 15 15 ILE HG23 H 1 0.842 0.02 . 1 . . . . . . . . 5602 1 146 . 1 1 15 15 ILE C C 13 173.169 0.40 . 1 . . . . . . . . 5602 1 147 . 1 1 16 16 TYR N N 15 126.826 0.20 . 1 . . . . . . . . 5602 1 148 . 1 1 16 16 TYR H H 1 8.487 0.02 . 1 . . . . . . . . 5602 1 149 . 1 1 16 16 TYR CA C 13 56.040 0.40 . 1 . . . . . . . . 5602 1 150 . 1 1 16 16 TYR HA H 1 6.058 0.02 . 1 . . . . . . . . 5602 1 151 . 1 1 16 16 TYR CB C 13 41.728 0.40 . 1 . . . . . . . . 5602 1 152 . 1 1 16 16 TYR HB2 H 1 2.834 0.02 . 2 . . . . . . . . 5602 1 153 . 1 1 16 16 TYR HB3 H 1 3.162 0.02 . 2 . . . . . . . . 5602 1 154 . 1 1 16 16 TYR CD1 C 13 133.729 0.40 . 1 . . . . . . . . 5602 1 155 . 1 1 16 16 TYR HD1 H 1 6.925 0.02 . 1 . . . . . . . . 5602 1 156 . 1 1 16 16 TYR HD2 H 1 6.925 0.02 . 1 . . . . . . . . 5602 1 157 . 1 1 16 16 TYR C C 13 177.533 0.40 . 1 . . . . . . . . 5602 1 158 . 1 1 17 17 ASP N N 15 123.839 0.20 . 1 . . . . . . . . 5602 1 159 . 1 1 17 17 ASP H H 1 8.195 0.02 . 1 . . . . . . . . 5602 1 160 . 1 1 17 17 ASP CA C 13 51.603 0.40 . 1 . . . . . . . . 5602 1 161 . 1 1 17 17 ASP HA H 1 4.574 0.02 . 1 . . . . . . . . 5602 1 162 . 1 1 17 17 ASP CB C 13 39.791 0.40 . 1 . . . . . . . . 5602 1 163 . 1 1 17 17 ASP HB2 H 1 1.045 0.02 . 2 . . . . . . . . 5602 1 164 . 1 1 17 17 ASP HB3 H 1 2.456 0.02 . 2 . . . . . . . . 5602 1 165 . 1 1 17 17 ASP C C 13 177.674 0.40 . 1 . . . . . . . . 5602 1 166 . 1 1 18 18 ASP N N 15 118.581 0.20 . 1 . . . . . . . . 5602 1 167 . 1 1 18 18 ASP H H 1 8.057 0.02 . 1 . . . . . . . . 5602 1 168 . 1 1 18 18 ASP CA C 13 55.318 0.40 . 1 . . . . . . . . 5602 1 169 . 1 1 18 18 ASP HA H 1 4.452 0.02 . 1 . . . . . . . . 5602 1 170 . 1 1 18 18 ASP CB C 13 40.273 0.40 . 1 . . . . . . . . 5602 1 171 . 1 1 18 18 ASP HB2 H 1 2.495 0.02 . 2 . . . . . . . . 5602 1 172 . 1 1 18 18 ASP HB3 H 1 2.636 0.02 . 2 . . . . . . . . 5602 1 173 . 1 1 18 18 ASP C C 13 176.594 0.40 . 1 . . . . . . . . 5602 1 174 . 1 1 19 19 GLN N N 15 121.727 0.20 . 1 . . . . . . . . 5602 1 175 . 1 1 19 19 GLN H H 1 7.838 0.02 . 1 . . . . . . . . 5602 1 176 . 1 1 19 19 GLN CA C 13 54.571 0.40 . 1 . . . . . . . . 5602 1 177 . 1 1 19 19 GLN HA H 1 4.140 0.02 . 1 . . . . . . . . 5602 1 178 . 1 1 19 19 GLN CB C 13 29.328 0.40 . 1 . . . . . . . . 5602 1 179 . 1 1 19 19 GLN HB2 H 1 1.380 0.02 . 2 . . . . . . . . 5602 1 180 . 1 1 19 19 GLN HB3 H 1 1.998 0.02 . 2 . . . . . . . . 5602 1 181 . 1 1 19 19 GLN CG C 13 33.736 0.40 . 1 . . . . . . . . 5602 1 182 . 1 1 19 19 GLN C C 13 174.720 0.40 . 1 . . . . . . . . 5602 1 183 . 1 1 20 20 HIS N N 15 116.587 0.20 . 1 . . . . . . . . 5602 1 184 . 1 1 20 20 HIS H H 1 8.334 0.02 . 1 . . . . . . . . 5602 1 185 . 1 1 20 20 HIS CA C 13 56.830 0.40 . 1 . . . . . . . . 5602 1 186 . 1 1 20 20 HIS HA H 1 4.225 0.02 . 1 . . . . . . . . 5602 1 187 . 1 1 20 20 HIS CB C 13 27.179 0.40 . 1 . . . . . . . . 5602 1 188 . 1 1 20 20 HIS HB2 H 1 3.203 0.02 . 2 . . . . . . . . 5602 1 189 . 1 1 20 20 HIS HB3 H 1 3.392 0.02 . 2 . . . . . . . . 5602 1 190 . 1 1 20 20 HIS C C 13 174.600 0.40 . 1 . . . . . . . . 5602 1 191 . 1 1 21 21 HIS N N 15 118.294 0.20 . 1 . . . . . . . . 5602 1 192 . 1 1 21 21 HIS H H 1 8.666 0.02 . 1 . . . . . . . . 5602 1 193 . 1 1 21 21 HIS CA C 13 54.978 0.40 . 1 . . . . . . . . 5602 1 194 . 1 1 21 21 HIS HA H 1 5.240 0.02 . 1 . . . . . . . . 5602 1 195 . 1 1 21 21 HIS CB C 13 31.034 0.40 . 1 . . . . . . . . 5602 1 196 . 1 1 21 21 HIS HB2 H 1 2.968 0.02 . 2 . . . . . . . . 5602 1 197 . 1 1 21 21 HIS HB3 H 1 3.220 0.02 . 2 . . . . . . . . 5602 1 198 . 1 1 21 21 HIS C C 13 173.547 0.40 . 1 . . . . . . . . 5602 1 199 . 1 1 22 22 ILE N N 15 122.133 0.20 . 1 . . . . . . . . 5602 1 200 . 1 1 22 22 ILE H H 1 8.925 0.02 . 1 . . . . . . . . 5602 1 201 . 1 1 22 22 ILE CA C 13 56.008 0.40 . 1 . . . . . . . . 5602 1 202 . 1 1 22 22 ILE HA H 1 5.149 0.02 . 1 . . . . . . . . 5602 1 203 . 1 1 22 22 ILE CB C 13 42.562 0.40 . 1 . . . . . . . . 5602 1 204 . 1 1 22 22 ILE HB H 1 1.375 0.02 . 1 . . . . . . . . 5602 1 205 . 1 1 22 22 ILE CG1 C 13 29.390 0.40 . 2 . . . . . . . . 5602 1 206 . 1 1 22 22 ILE HG12 H 1 0.831 0.02 . 2 . . . . . . . . 5602 1 207 . 1 1 22 22 ILE HG13 H 1 1.169 0.02 . 2 . . . . . . . . 5602 1 208 . 1 1 22 22 ILE CD1 C 13 13.903 0.40 . 1 . . . . . . . . 5602 1 209 . 1 1 22 22 ILE HD11 H 1 0.318 0.02 . 1 . . . . . . . . 5602 1 210 . 1 1 22 22 ILE HD12 H 1 0.318 0.02 . 1 . . . . . . . . 5602 1 211 . 1 1 22 22 ILE HD13 H 1 0.318 0.02 . 1 . . . . . . . . 5602 1 212 . 1 1 22 22 ILE CG2 C 13 17.869 0.40 . 2 . . . . . . . . 5602 1 213 . 1 1 22 22 ILE HG21 H 1 0.833 0.02 . 1 . . . . . . . . 5602 1 214 . 1 1 22 22 ILE HG22 H 1 0.833 0.02 . 1 . . . . . . . . 5602 1 215 . 1 1 22 22 ILE HG23 H 1 0.833 0.02 . 1 . . . . . . . . 5602 1 216 . 1 1 22 22 ILE C C 13 173.361 0.40 . 1 . . . . . . . . 5602 1 217 . 1 1 23 23 LEU N N 15 132.799 0.20 . 1 . . . . . . . . 5602 1 218 . 1 1 23 23 LEU H H 1 8.071 0.02 . 1 . . . . . . . . 5602 1 219 . 1 1 23 23 LEU CA C 13 55.303 0.40 . 1 . . . . . . . . 5602 1 220 . 1 1 23 23 LEU HA H 1 4.029 0.02 . 1 . . . . . . . . 5602 1 221 . 1 1 23 23 LEU CB C 13 40.955 0.40 . 1 . . . . . . . . 5602 1 222 . 1 1 23 23 LEU HB2 H 1 1.390 0.02 . 2 . . . . . . . . 5602 1 223 . 1 1 23 23 LEU HB3 H 1 1.425 0.02 . 2 . . . . . . . . 5602 1 224 . 1 1 23 23 LEU CG C 13 27.240 0.40 . 1 . . . . . . . . 5602 1 225 . 1 1 23 23 LEU HG H 1 0.546 0.02 . 1 . . . . . . . . 5602 1 226 . 1 1 23 23 LEU CD1 C 13 22.555 0.40 . 1 . . . . . . . . 5602 1 227 . 1 1 23 23 LEU HD11 H 1 -0.330 0.02 . 1 . . . . . . . . 5602 1 228 . 1 1 23 23 LEU HD12 H 1 -0.330 0.02 . 1 . . . . . . . . 5602 1 229 . 1 1 23 23 LEU HD13 H 1 -0.330 0.02 . 1 . . . . . . . . 5602 1 230 . 1 1 23 23 LEU CD2 C 13 25.665 0.40 . 1 . . . . . . . . 5602 1 231 . 1 1 23 23 LEU HD21 H 1 0.222 0.02 . 1 . . . . . . . . 5602 1 232 . 1 1 23 23 LEU HD22 H 1 0.222 0.02 . 1 . . . . . . . . 5602 1 233 . 1 1 23 23 LEU HD23 H 1 0.222 0.02 . 1 . . . . . . . . 5602 1 234 . 1 1 23 23 LEU C C 13 174.910 0.40 . 1 . . . . . . . . 5602 1 235 . 1 1 24 24 LEU N N 15 126.826 0.20 . 1 . . . . . . . . 5602 1 236 . 1 1 24 24 LEU H H 1 8.559 0.02 . 1 . . . . . . . . 5602 1 237 . 1 1 24 24 LEU CA C 13 52.276 0.40 . 1 . . . . . . . . 5602 1 238 . 1 1 24 24 LEU HA H 1 4.768 0.02 . 1 . . . . . . . . 5602 1 239 . 1 1 24 24 LEU CB C 13 46.430 0.40 . 1 . . . . . . . . 5602 1 240 . 1 1 24 24 LEU HB2 H 1 1.111 0.02 . 2 . . . . . . . . 5602 1 241 . 1 1 24 24 LEU HB3 H 1 1.530 0.02 . 2 . . . . . . . . 5602 1 242 . 1 1 24 24 LEU CG C 13 26.388 0.40 . 1 . . . . . . . . 5602 1 243 . 1 1 24 24 LEU HG H 1 1.614 0.02 . 1 . . . . . . . . 5602 1 244 . 1 1 24 24 LEU CD1 C 13 26.388 0.40 . 1 . . . . . . . . 5602 1 245 . 1 1 24 24 LEU HD11 H 1 0.590 0.02 . 1 . . . . . . . . 5602 1 246 . 1 1 24 24 LEU HD12 H 1 0.590 0.02 . 1 . . . . . . . . 5602 1 247 . 1 1 24 24 LEU HD13 H 1 0.590 0.02 . 1 . . . . . . . . 5602 1 248 . 1 1 24 24 LEU CD2 C 13 25.536 0.40 . 1 . . . . . . . . 5602 1 249 . 1 1 24 24 LEU HD21 H 1 0.744 0.02 . 1 . . . . . . . . 5602 1 250 . 1 1 24 24 LEU HD22 H 1 0.744 0.02 . 1 . . . . . . . . 5602 1 251 . 1 1 24 24 LEU HD23 H 1 0.744 0.02 . 1 . . . . . . . . 5602 1 252 . 1 1 24 24 LEU C C 13 174.471 0.40 . 1 . . . . . . . . 5602 1 253 . 1 1 25 25 MET N N 15 118.881 0.20 . 1 . . . . . . . . 5602 1 254 . 1 1 25 25 MET H H 1 8.914 0.02 . 1 . . . . . . . . 5602 1 255 . 1 1 25 25 MET CA C 13 52.617 0.40 . 1 . . . . . . . . 5602 1 256 . 1 1 25 25 MET HA H 1 4.520 0.02 . 1 . . . . . . . . 5602 1 257 . 1 1 25 25 MET CB C 13 32.245 0.40 . 1 . . . . . . . . 5602 1 258 . 1 1 25 25 MET HB2 H 1 1.379 0.02 . 2 . . . . . . . . 5602 1 259 . 1 1 25 25 MET HB3 H 1 1.940 0.02 . 2 . . . . . . . . 5602 1 260 . 1 1 25 25 MET CG C 13 29.796 0.40 . 1 . . . . . . . . 5602 1 261 . 1 1 25 25 MET HG2 H 1 2.028 0.02 . 2 . . . . . . . . 5602 1 262 . 1 1 25 25 MET HG3 H 1 2.157 0.02 . 2 . . . . . . . . 5602 1 263 . 1 1 25 25 MET C C 13 175.067 0.40 . 1 . . . . . . . . 5602 1 264 . 1 1 26 26 LEU N N 15 129.386 0.20 . 1 . . . . . . . . 5602 1 265 . 1 1 26 26 LEU H H 1 8.642 0.02 . 1 . . . . . . . . 5602 1 266 . 1 1 26 26 LEU CA C 13 55.596 0.40 . 1 . . . . . . . . 5602 1 267 . 1 1 26 26 LEU HA H 1 4.481 0.02 . 1 . . . . . . . . 5602 1 268 . 1 1 26 26 LEU CB C 13 41.166 0.40 . 1 . . . . . . . . 5602 1 269 . 1 1 26 26 LEU HB2 H 1 1.563 0.02 . 2 . . . . . . . . 5602 1 270 . 1 1 26 26 LEU HB3 H 1 1.969 0.02 . 2 . . . . . . . . 5602 1 271 . 1 1 26 26 LEU CG C 13 27.946 0.40 . 1 . . . . . . . . 5602 1 272 . 1 1 26 26 LEU HG H 1 1.728 0.02 . 1 . . . . . . . . 5602 1 273 . 1 1 26 26 LEU CD1 C 13 24.259 0.40 . 2 . . . . . . . . 5602 1 274 . 1 1 26 26 LEU HD11 H 1 0.783 0.02 . 2 . . . . . . . . 5602 1 275 . 1 1 26 26 LEU HD12 H 1 0.783 0.02 . 2 . . . . . . . . 5602 1 276 . 1 1 26 26 LEU HD13 H 1 0.783 0.02 . 2 . . . . . . . . 5602 1 277 . 1 1 26 26 LEU CD2 C 13 24.685 0.40 . 2 . . . . . . . . 5602 1 278 . 1 1 26 26 LEU HD21 H 1 0.717 0.02 . 2 . . . . . . . . 5602 1 279 . 1 1 26 26 LEU HD22 H 1 0.717 0.02 . 2 . . . . . . . . 5602 1 280 . 1 1 26 26 LEU HD23 H 1 0.717 0.02 . 2 . . . . . . . . 5602 1 281 . 1 1 26 26 LEU C C 13 176.739 0.40 . 1 . . . . . . . . 5602 1 282 . 1 1 27 27 ARG N N 15 123.840 0.20 . 1 . . . . . . . . 5602 1 283 . 1 1 27 27 ARG H H 1 8.745 0.02 . 1 . . . . . . . . 5602 1 284 . 1 1 27 27 ARG CA C 13 54.799 0.40 . 1 . . . . . . . . 5602 1 285 . 1 1 27 27 ARG HA H 1 4.757 0.02 . 1 . . . . . . . . 5602 1 286 . 1 1 27 27 ARG CB C 13 33.894 0.40 . 1 . . . . . . . . 5602 1 287 . 1 1 27 27 ARG HD2 H 1 3.638 0.02 . 2 . . . . . . . . 5602 1 288 . 1 1 27 27 ARG C C 13 175.356 0.40 . 1 . . . . . . . . 5602 1 289 . 1 1 28 28 HIS N N 15 121.707 0.20 . 1 . . . . . . . . 5602 1 290 . 1 1 28 28 HIS H H 1 8.489 0.02 . 1 . . . . . . . . 5602 1 291 . 1 1 28 28 HIS CA C 13 54.770 0.40 . 1 . . . . . . . . 5602 1 292 . 1 1 28 28 HIS HA H 1 5.320 0.02 . 1 . . . . . . . . 5602 1 293 . 1 1 28 28 HIS CB C 13 32.024 0.40 . 1 . . . . . . . . 5602 1 294 . 1 1 28 28 HIS HB2 H 1 2.559 0.02 . 2 . . . . . . . . 5602 1 295 . 1 1 28 28 HIS HB3 H 1 2.827 0.02 . 2 . . . . . . . . 5602 1 296 . 1 1 28 28 HIS C C 13 174.267 0.40 . 1 . . . . . . . . 5602 1 297 . 1 1 29 29 LYS N N 15 125.973 0.20 . 1 . . . . . . . . 5602 1 298 . 1 1 29 29 LYS H H 1 8.678 0.02 . 1 . . . . . . . . 5602 1 299 . 1 1 29 29 LYS CA C 13 56.065 0.40 . 1 . . . . . . . . 5602 1 300 . 1 1 29 29 LYS HA H 1 4.718 0.02 . 1 . . . . . . . . 5602 1 301 . 1 1 29 29 LYS CB C 13 33.989 0.40 . 1 . . . . . . . . 5602 1 302 . 1 1 29 29 LYS HB2 H 1 1.857 0.02 . 2 . . . . . . . . 5602 1 303 . 1 1 29 29 LYS HB3 H 1 1.824 0.02 . 2 . . . . . . . . 5602 1 304 . 1 1 29 29 LYS CG C 13 24.685 0.40 . 1 . . . . . . . . 5602 1 305 . 1 1 29 29 LYS HG2 H 1 1.440 0.02 . 2 . . . . . . . . 5602 1 306 . 1 1 29 29 LYS HG3 H 1 1.377 0.02 . 2 . . . . . . . . 5602 1 307 . 1 1 29 29 LYS HD2 H 1 1.618 0.02 . 2 . . . . . . . . 5602 1 308 . 1 1 29 29 LYS HD3 H 1 1.582 0.02 . 2 . . . . . . . . 5602 1 309 . 1 1 29 29 LYS CE C 13 42.099 0.40 . 1 . . . . . . . . 5602 1 310 . 1 1 29 29 LYS HE2 H 1 2.834 0.02 . 2 . . . . . . . . 5602 1 311 . 1 1 29 29 LYS HE3 H 1 2.890 0.02 . 2 . . . . . . . . 5602 1 312 . 1 1 29 29 LYS C C 13 176.358 0.40 . 1 . . . . . . . . 5602 1 313 . 1 1 30 30 ASN N N 15 129.431 0.20 . 1 . . . . . . . . 5602 1 314 . 1 1 30 30 ASN H H 1 9.667 0.02 . 1 . . . . . . . . 5602 1 315 . 1 1 30 30 ASN CA C 13 54.422 0.40 . 1 . . . . . . . . 5602 1 316 . 1 1 30 30 ASN HA H 1 4.430 0.02 . 1 . . . . . . . . 5602 1 317 . 1 1 30 30 ASN CB C 13 37.955 0.40 . 1 . . . . . . . . 5602 1 318 . 1 1 30 30 ASN HB2 H 1 2.767 0.02 . 2 . . . . . . . . 5602 1 319 . 1 1 30 30 ASN HB3 H 1 3.031 0.02 . 2 . . . . . . . . 5602 1 320 . 1 1 30 30 ASN C C 13 175.144 0.40 . 1 . . . . . . . . 5602 1 321 . 1 1 31 31 GLY N N 15 107.201 0.20 . 1 . . . . . . . . 5602 1 322 . 1 1 31 31 GLY H H 1 8.876 0.02 . 1 . . . . . . . . 5602 1 323 . 1 1 31 31 GLY CA C 13 45.534 0.40 . 1 . . . . . . . . 5602 1 324 . 1 1 31 31 GLY HA3 H 1 3.630 0.02 . 2 . . . . . . . . 5602 1 325 . 1 1 31 31 GLY HA2 H 1 4.121 0.02 . 2 . . . . . . . . 5602 1 326 . 1 1 31 31 GLY C C 13 173.901 0.40 . 1 . . . . . . . . 5602 1 327 . 1 1 32 32 LYS N N 15 123.840 0.20 . 1 . . . . . . . . 5602 1 328 . 1 1 32 32 LYS H H 1 7.832 0.02 . 1 . . . . . . . . 5602 1 329 . 1 1 32 32 LYS CA C 13 55.049 0.40 . 1 . . . . . . . . 5602 1 330 . 1 1 32 32 LYS HA H 1 4.617 0.02 . 1 . . . . . . . . 5602 1 331 . 1 1 32 32 LYS CB C 13 34.804 0.40 . 1 . . . . . . . . 5602 1 332 . 1 1 32 32 LYS HB2 H 1 1.615 0.02 . 2 . . . . . . . . 5602 1 333 . 1 1 32 32 LYS HB3 H 1 1.852 0.02 . 2 . . . . . . . . 5602 1 334 . 1 1 32 32 LYS CG C 13 25.207 0.40 . 1 . . . . . . . . 5602 1 335 . 1 1 32 32 LYS HG2 H 1 1.345 0.02 . 2 . . . . . . . . 5602 1 336 . 1 1 32 32 LYS HG3 H 1 1.428 0.02 . 2 . . . . . . . . 5602 1 337 . 1 1 32 32 LYS HE2 H 1 2.822 0.02 . 2 . . . . . . . . 5602 1 338 . 1 1 32 32 LYS HE3 H 1 2.908 0.02 . 2 . . . . . . . . 5602 1 339 . 1 1 32 32 LYS C C 13 175.446 0.40 . 1 . . . . . . . . 5602 1 340 . 1 1 33 33 LYS N N 15 125.973 0.20 . 1 . . . . . . . . 5602 1 341 . 1 1 33 33 LYS H H 1 8.414 0.02 . 1 . . . . . . . . 5602 1 342 . 1 1 33 33 LYS CA C 13 55.961 0.40 . 1 . . . . . . . . 5602 1 343 . 1 1 33 33 LYS HA H 1 4.972 0.02 . 1 . . . . . . . . 5602 1 344 . 1 1 33 33 LYS CB C 13 34.385 0.40 . 1 . . . . . . . . 5602 1 345 . 1 1 33 33 LYS HB2 H 1 1.683 0.02 . 2 . . . . . . . . 5602 1 346 . 1 1 33 33 LYS HB3 H 1 1.832 0.02 . 2 . . . . . . . . 5602 1 347 . 1 1 33 33 LYS HE2 H 1 2.998 0.02 . 2 . . . . . . . . 5602 1 348 . 1 1 33 33 LYS HE3 H 1 3.108 0.02 . 2 . . . . . . . . 5602 1 349 . 1 1 33 33 LYS C C 13 176.090 0.40 . 1 . . . . . . . . 5602 1 350 . 1 1 34 34 TYR N N 15 123.555 0.20 . 1 . . . . . . . . 5602 1 351 . 1 1 34 34 TYR H H 1 8.564 0.02 . 1 . . . . . . . . 5602 1 352 . 1 1 34 34 TYR CA C 13 56.845 0.40 . 1 . . . . . . . . 5602 1 353 . 1 1 34 34 TYR HA H 1 5.103 0.02 . 1 . . . . . . . . 5602 1 354 . 1 1 34 34 TYR CB C 13 39.351 0.40 . 1 . . . . . . . . 5602 1 355 . 1 1 34 34 TYR HB2 H 1 3.067 0.02 . 2 . . . . . . . . 5602 1 356 . 1 1 34 34 TYR HB3 H 1 3.137 0.02 . 2 . . . . . . . . 5602 1 357 . 1 1 34 34 TYR CD1 C 13 133.732 0.40 . 1 . . . . . . . . 5602 1 358 . 1 1 34 34 TYR HD1 H 1 6.817 0.02 . 1 . . . . . . . . 5602 1 359 . 1 1 34 34 TYR HD2 H 1 6.817 0.02 . 1 . . . . . . . . 5602 1 360 . 1 1 34 34 TYR C C 13 171.496 0.40 . 1 . . . . . . . . 5602 1 361 . 1 1 35 35 ALA N N 15 125.120 0.20 . 1 . . . . . . . . 5602 1 362 . 1 1 35 35 ALA H H 1 8.039 0.02 . 1 . . . . . . . . 5602 1 363 . 1 1 35 35 ALA CA C 13 49.806 0.40 . 1 . . . . . . . . 5602 1 364 . 1 1 35 35 ALA HA H 1 5.536 0.02 . 1 . . . . . . . . 5602 1 365 . 1 1 35 35 ALA CB C 13 23.725 0.40 . 1 . . . . . . . . 5602 1 366 . 1 1 35 35 ALA HB1 H 1 1.074 0.02 . 1 . . . . . . . . 5602 1 367 . 1 1 35 35 ALA HB2 H 1 1.074 0.02 . 1 . . . . . . . . 5602 1 368 . 1 1 35 35 ALA HB3 H 1 1.074 0.02 . 1 . . . . . . . . 5602 1 369 . 1 1 35 35 ALA C C 13 175.444 0.40 . 1 . . . . . . . . 5602 1 370 . 1 1 36 36 THR N N 15 111.041 0.20 . 1 . . . . . . . . 5602 1 371 . 1 1 36 36 THR H H 1 8.718 0.02 . 1 . . . . . . . . 5602 1 372 . 1 1 36 36 THR CA C 13 59.122 0.40 . 1 . . . . . . . . 5602 1 373 . 1 1 36 36 THR HA H 1 4.968 0.02 . 1 . . . . . . . . 5602 1 374 . 1 1 36 36 THR CB C 13 73.151 0.40 . 1 . . . . . . . . 5602 1 375 . 1 1 36 36 THR HB H 1 4.475 0.02 . 1 . . . . . . . . 5602 1 376 . 1 1 36 36 THR CG2 C 13 21.703 0.40 . 1 . . . . . . . . 5602 1 377 . 1 1 36 36 THR HG21 H 1 1.205 0.02 . 1 . . . . . . . . 5602 1 378 . 1 1 36 36 THR HG22 H 1 1.205 0.02 . 1 . . . . . . . . 5602 1 379 . 1 1 36 36 THR HG23 H 1 1.205 0.02 . 1 . . . . . . . . 5602 1 380 . 1 1 36 36 THR C C 13 174.071 0.40 . 1 . . . . . . . . 5602 1 381 . 1 1 37 37 LEU N N 15 125.781 0.20 . 1 . . . . . . . . 5602 1 382 . 1 1 37 37 LEU H H 1 9.068 0.02 . 1 . . . . . . . . 5602 1 383 . 1 1 37 37 LEU CA C 13 53.787 0.40 . 1 . . . . . . . . 5602 1 384 . 1 1 37 37 LEU HA H 1 4.619 0.02 . 1 . . . . . . . . 5602 1 385 . 1 1 37 37 LEU CB C 13 41.430 0.40 . 1 . . . . . . . . 5602 1 386 . 1 1 37 37 LEU HD11 H 1 0.886 0.02 . 2 . . . . . . . . 5602 1 387 . 1 1 37 37 LEU HD12 H 1 0.886 0.02 . 2 . . . . . . . . 5602 1 388 . 1 1 37 37 LEU HD13 H 1 0.886 0.02 . 2 . . . . . . . . 5602 1 389 . 1 1 37 37 LEU HD21 H 1 0.966 0.02 . 2 . . . . . . . . 5602 1 390 . 1 1 37 37 LEU HD22 H 1 0.966 0.02 . 2 . . . . . . . . 5602 1 391 . 1 1 37 37 LEU HD23 H 1 0.966 0.02 . 2 . . . . . . . . 5602 1 392 . 1 1 37 37 LEU C C 13 175.711 0.40 . 1 . . . . . . . . 5602 1 393 . 1 1 38 38 PRO CA C 13 63.322 0.40 . 1 . . . . . . . . 5602 1 394 . 1 1 38 38 PRO HA H 1 4.437 0.02 . 1 . . . . . . . . 5602 1 395 . 1 1 38 38 PRO CB C 13 32.065 0.40 . 1 . . . . . . . . 5602 1 396 . 1 1 38 38 PRO HB2 H 1 1.712 0.02 . 2 . . . . . . . . 5602 1 397 . 1 1 38 38 PRO HB3 H 1 2.066 0.02 . 2 . . . . . . . . 5602 1 398 . 1 1 38 38 PRO CG C 13 27.984 0.40 . 1 . . . . . . . . 5602 1 399 . 1 1 38 38 PRO C C 13 174.341 0.40 . 1 . . . . . . . . 5602 1 400 . 1 1 39 39 GLY N N 15 110.614 0.20 . 1 . . . . . . . . 5602 1 401 . 1 1 39 39 GLY H H 1 7.990 0.02 . 1 . . . . . . . . 5602 1 402 . 1 1 39 39 GLY CA C 13 45.817 0.40 . 1 . . . . . . . . 5602 1 403 . 1 1 39 39 GLY HA3 H 1 3.966 0.02 . 2 . . . . . . . . 5602 1 404 . 1 1 39 39 GLY HA2 H 1 4.458 0.02 . 2 . . . . . . . . 5602 1 405 . 1 1 39 39 GLY C C 13 172.389 0.40 . 1 . . . . . . . . 5602 1 406 . 1 1 40 40 GLY N N 15 107.623 0.20 . 1 . . . . . . . . 5602 1 407 . 1 1 40 40 GLY H H 1 8.509 0.02 . 1 . . . . . . . . 5602 1 408 . 1 1 40 40 GLY CA C 13 45.624 0.40 . 1 . . . . . . . . 5602 1 409 . 1 1 40 40 GLY HA3 H 1 3.976 0.02 . 2 . . . . . . . . 5602 1 410 . 1 1 40 40 GLY HA2 H 1 4.456 0.02 . 2 . . . . . . . . 5602 1 411 . 1 1 40 40 GLY C C 13 172.001 0.40 . 1 . . . . . . . . 5602 1 412 . 1 1 41 41 GLY N N 15 109.334 0.20 . 1 . . . . . . . . 5602 1 413 . 1 1 41 41 GLY H H 1 8.483 0.02 . 1 . . . . . . . . 5602 1 414 . 1 1 41 41 GLY CA C 13 45.716 0.40 . 1 . . . . . . . . 5602 1 415 . 1 1 41 41 GLY HA3 H 1 3.602 0.02 . 2 . . . . . . . . 5602 1 416 . 1 1 41 41 GLY HA2 H 1 4.145 0.02 . 2 . . . . . . . . 5602 1 417 . 1 1 41 41 GLY C C 13 172.095 0.40 . 1 . . . . . . . . 5602 1 418 . 1 1 42 42 ILE N N 15 124.266 0.20 . 1 . . . . . . . . 5602 1 419 . 1 1 42 42 ILE H H 1 7.597 0.02 . 1 . . . . . . . . 5602 1 420 . 1 1 42 42 ILE CA C 13 60.646 0.40 . 1 . . . . . . . . 5602 1 421 . 1 1 42 42 ILE HA H 1 3.895 0.02 . 1 . . . . . . . . 5602 1 422 . 1 1 42 42 ILE CB C 13 39.139 0.40 . 1 . . . . . . . . 5602 1 423 . 1 1 42 42 ILE HB H 1 1.462 0.02 . 1 . . . . . . . . 5602 1 424 . 1 1 42 42 ILE CG1 C 13 28.092 0.40 . 2 . . . . . . . . 5602 1 425 . 1 1 42 42 ILE HG12 H 1 1.466 0.02 . 2 . . . . . . . . 5602 1 426 . 1 1 42 42 ILE HG13 H 1 1.524 0.02 . 2 . . . . . . . . 5602 1 427 . 1 1 42 42 ILE CD1 C 13 14.462 0.40 . 1 . . . . . . . . 5602 1 428 . 1 1 42 42 ILE HD11 H 1 0.710 0.02 . 1 . . . . . . . . 5602 1 429 . 1 1 42 42 ILE HD12 H 1 0.710 0.02 . 1 . . . . . . . . 5602 1 430 . 1 1 42 42 ILE HD13 H 1 0.710 0.02 . 1 . . . . . . . . 5602 1 431 . 1 1 42 42 ILE CG2 C 13 17.443 0.40 . 2 . . . . . . . . 5602 1 432 . 1 1 42 42 ILE HG21 H 1 0.708 0.02 . 1 . . . . . . . . 5602 1 433 . 1 1 42 42 ILE HG22 H 1 0.708 0.02 . 1 . . . . . . . . 5602 1 434 . 1 1 42 42 ILE HG23 H 1 0.708 0.02 . 1 . . . . . . . . 5602 1 435 . 1 1 42 42 ILE C C 13 176.875 0.40 . 1 . . . . . . . . 5602 1 436 . 1 1 43 43 GLU N N 15 132.799 0.20 . 1 . . . . . . . . 5602 1 437 . 1 1 43 43 GLU H H 1 9.304 0.02 . 1 . . . . . . . . 5602 1 438 . 1 1 43 43 GLU CA C 13 55.656 0.40 . 1 . . . . . . . . 5602 1 439 . 1 1 43 43 GLU HA H 1 4.248 0.02 . 1 . . . . . . . . 5602 1 440 . 1 1 43 43 GLU CB C 13 30.553 0.40 . 1 . . . . . . . . 5602 1 441 . 1 1 43 43 GLU HB2 H 1 1.629 0.02 . 1 . . . . . . . . 5602 1 442 . 1 1 43 43 GLU HB3 H 1 1.629 0.02 . 1 . . . . . . . . 5602 1 443 . 1 1 43 43 GLU CG C 13 35.759 0.40 . 1 . . . . . . . . 5602 1 444 . 1 1 43 43 GLU HG2 H 1 2.103 0.02 . 2 . . . . . . . . 5602 1 445 . 1 1 43 43 GLU HG3 H 1 2.292 0.02 . 2 . . . . . . . . 5602 1 446 . 1 1 43 43 GLU C C 13 178.452 0.40 . 1 . . . . . . . . 5602 1 447 . 1 1 44 44 GLU N N 15 123.840 0.20 . 1 . . . . . . . . 5602 1 448 . 1 1 44 44 GLU H H 1 8.593 0.02 . 1 . . . . . . . . 5602 1 449 . 1 1 44 44 GLU CA C 13 58.625 0.40 . 1 . . . . . . . . 5602 1 450 . 1 1 44 44 GLU HA H 1 3.980 0.02 . 1 . . . . . . . . 5602 1 451 . 1 1 44 44 GLU CB C 13 29.247 0.40 . 1 . . . . . . . . 5602 1 452 . 1 1 44 44 GLU HB2 H 1 1.908 0.02 . 1 . . . . . . . . 5602 1 453 . 1 1 44 44 GLU HB3 H 1 1.908 0.02 . 1 . . . . . . . . 5602 1 454 . 1 1 44 44 GLU CG C 13 36.268 0.40 . 1 . . . . . . . . 5602 1 455 . 1 1 44 44 GLU HG2 H 1 2.225 0.02 . 1 . . . . . . . . 5602 1 456 . 1 1 44 44 GLU HG3 H 1 2.225 0.02 . 1 . . . . . . . . 5602 1 457 . 1 1 44 44 GLU C C 13 178.054 0.40 . 1 . . . . . . . . 5602 1 458 . 1 1 45 45 GLY N N 15 116.587 0.20 . 1 . . . . . . . . 5602 1 459 . 1 1 45 45 GLY H H 1 8.723 0.02 . 1 . . . . . . . . 5602 1 460 . 1 1 45 45 GLY CA C 13 45.371 0.40 . 1 . . . . . . . . 5602 1 461 . 1 1 45 45 GLY HA3 H 1 3.901 0.02 . 2 . . . . . . . . 5602 1 462 . 1 1 45 45 GLY HA2 H 1 4.162 0.02 . 2 . . . . . . . . 5602 1 463 . 1 1 45 45 GLY C C 13 173.985 0.40 . 1 . . . . . . . . 5602 1 464 . 1 1 46 46 GLU N N 15 122.986 0.20 . 1 . . . . . . . . 5602 1 465 . 1 1 46 46 GLU H H 1 7.937 0.02 . 1 . . . . . . . . 5602 1 466 . 1 1 46 46 GLU CA C 13 55.292 0.40 . 1 . . . . . . . . 5602 1 467 . 1 1 46 46 GLU HA H 1 4.569 0.02 . 1 . . . . . . . . 5602 1 468 . 1 1 46 46 GLU CB C 13 32.547 0.40 . 1 . . . . . . . . 5602 1 469 . 1 1 46 46 GLU HB2 H 1 2.111 0.02 . 2 . . . . . . . . 5602 1 470 . 1 1 46 46 GLU HB3 H 1 2.036 0.02 . 2 . . . . . . . . 5602 1 471 . 1 1 46 46 GLU CG C 13 37.160 0.40 . 1 . . . . . . . . 5602 1 472 . 1 1 46 46 GLU HG2 H 1 2.098 0.02 . 2 . . . . . . . . 5602 1 473 . 1 1 46 46 GLU HG3 H 1 2.241 0.02 . 2 . . . . . . . . 5602 1 474 . 1 1 46 46 GLU C C 13 176.628 0.40 . 1 . . . . . . . . 5602 1 475 . 1 1 47 47 THR N N 15 114.454 0.20 . 1 . . . . . . . . 5602 1 476 . 1 1 47 47 THR H H 1 8.301 0.02 . 1 . . . . . . . . 5602 1 477 . 1 1 47 47 THR CA C 13 59.084 0.40 . 1 . . . . . . . . 5602 1 478 . 1 1 47 47 THR HA H 1 4.633 0.02 . 1 . . . . . . . . 5602 1 479 . 1 1 47 47 THR CB C 13 69.070 0.40 . 1 . . . . . . . . 5602 1 480 . 1 1 47 47 THR HB H 1 4.259 0.02 . 1 . . . . . . . . 5602 1 481 . 1 1 47 47 THR CG2 C 13 23.833 0.40 . 1 . . . . . . . . 5602 1 482 . 1 1 47 47 THR HG21 H 1 1.281 0.02 . 1 . . . . . . . . 5602 1 483 . 1 1 47 47 THR HG22 H 1 1.281 0.02 . 1 . . . . . . . . 5602 1 484 . 1 1 47 47 THR HG23 H 1 1.281 0.02 . 1 . . . . . . . . 5602 1 485 . 1 1 47 47 THR C C 13 173.718 0.40 . 1 . . . . . . . . 5602 1 486 . 1 1 48 48 PRO CA C 13 66.289 0.40 . 1 . . . . . . . . 5602 1 487 . 1 1 48 48 PRO HA H 1 3.935 0.02 . 1 . . . . . . . . 5602 1 488 . 1 1 48 48 PRO CB C 13 32.130 0.40 . 1 . . . . . . . . 5602 1 489 . 1 1 48 48 PRO HB2 H 1 1.817 0.02 . 1 . . . . . . . . 5602 1 490 . 1 1 48 48 PRO HB3 H 1 1.817 0.02 . 1 . . . . . . . . 5602 1 491 . 1 1 48 48 PRO CG C 13 28.190 0.40 . 1 . . . . . . . . 5602 1 492 . 1 1 48 48 PRO C C 13 177.331 0.40 . 1 . . . . . . . . 5602 1 493 . 1 1 49 49 GLN N N 15 117.440 0.20 . 1 . . . . . . . . 5602 1 494 . 1 1 49 49 GLN H H 1 8.822 0.02 . 1 . . . . . . . . 5602 1 495 . 1 1 49 49 GLN CA C 13 60.024 0.40 . 1 . . . . . . . . 5602 1 496 . 1 1 49 49 GLN HA H 1 2.833 0.02 . 1 . . . . . . . . 5602 1 497 . 1 1 49 49 GLN CB C 13 27.002 0.40 . 1 . . . . . . . . 5602 1 498 . 1 1 49 49 GLN HB2 H 1 1.472 0.02 . 2 . . . . . . . . 5602 1 499 . 1 1 49 49 GLN HB3 H 1 1.740 0.02 . 2 . . . . . . . . 5602 1 500 . 1 1 49 49 GLN CG C 13 34.287 0.40 . 1 . . . . . . . . 5602 1 501 . 1 1 49 49 GLN HG2 H 1 2.167 0.02 . 2 . . . . . . . . 5602 1 502 . 1 1 49 49 GLN HG3 H 1 2.412 0.02 . 2 . . . . . . . . 5602 1 503 . 1 1 49 49 GLN C C 13 178.970 0.40 . 1 . . . . . . . . 5602 1 504 . 1 1 50 50 GLY N N 15 114.027 0.20 . 1 . . . . . . . . 5602 1 505 . 1 1 50 50 GLY H H 1 8.281 0.02 . 1 . . . . . . . . 5602 1 506 . 1 1 50 50 GLY CA C 13 46.639 0.40 . 1 . . . . . . . . 5602 1 507 . 1 1 50 50 GLY HA3 H 1 3.559 0.02 . 2 . . . . . . . . 5602 1 508 . 1 1 50 50 GLY HA2 H 1 3.824 0.02 . 2 . . . . . . . . 5602 1 509 . 1 1 50 50 GLY C C 13 176.923 0.40 . 1 . . . . . . . . 5602 1 510 . 1 1 51 51 ALA N N 15 128.106 0.20 . 1 . . . . . . . . 5602 1 511 . 1 1 51 51 ALA H H 1 8.381 0.02 . 1 . . . . . . . . 5602 1 512 . 1 1 51 51 ALA CA C 13 55.167 0.40 . 1 . . . . . . . . 5602 1 513 . 1 1 51 51 ALA HA H 1 4.004 0.02 . 1 . . . . . . . . 5602 1 514 . 1 1 51 51 ALA CB C 13 21.160 0.40 . 1 . . . . . . . . 5602 1 515 . 1 1 51 51 ALA HB1 H 1 1.433 0.02 . 1 . . . . . . . . 5602 1 516 . 1 1 51 51 ALA HB2 H 1 1.433 0.02 . 1 . . . . . . . . 5602 1 517 . 1 1 51 51 ALA HB3 H 1 1.433 0.02 . 1 . . . . . . . . 5602 1 518 . 1 1 51 51 ALA C C 13 178.586 0.40 . 1 . . . . . . . . 5602 1 519 . 1 1 52 52 CYS N N 15 119.155 0.20 . 1 . . . . . . . . 5602 1 520 . 1 1 52 52 CYS H H 1 7.907 0.02 . 1 . . . . . . . . 5602 1 521 . 1 1 52 52 CYS CA C 13 63.139 0.40 . 1 . . . . . . . . 5602 1 522 . 1 1 52 52 CYS HA H 1 3.574 0.02 . 1 . . . . . . . . 5602 1 523 . 1 1 52 52 CYS CB C 13 26.882 0.40 . 1 . . . . . . . . 5602 1 524 . 1 1 52 52 CYS HB2 H 1 2.579 0.02 . 2 . . . . . . . . 5602 1 525 . 1 1 52 52 CYS HB3 H 1 2.711 0.02 . 2 . . . . . . . . 5602 1 526 . 1 1 52 52 CYS C C 13 175.283 0.40 . 1 . . . . . . . . 5602 1 527 . 1 1 53 53 ALA N N 15 119.577 0.20 . 1 . . . . . . . . 5602 1 528 . 1 1 53 53 ALA H H 1 7.259 0.02 . 1 . . . . . . . . 5602 1 529 . 1 1 53 53 ALA CA C 13 55.315 0.40 . 1 . . . . . . . . 5602 1 530 . 1 1 53 53 ALA HA H 1 3.628 0.02 . 1 . . . . . . . . 5602 1 531 . 1 1 53 53 ALA CB C 13 18.006 0.40 . 1 . . . . . . . . 5602 1 532 . 1 1 53 53 ALA HB1 H 1 1.356 0.02 . 1 . . . . . . . . 5602 1 533 . 1 1 53 53 ALA HB2 H 1 1.356 0.02 . 1 . . . . . . . . 5602 1 534 . 1 1 53 53 ALA HB3 H 1 1.356 0.02 . 1 . . . . . . . . 5602 1 535 . 1 1 53 53 ALA C C 13 180.248 0.40 . 1 . . . . . . . . 5602 1 536 . 1 1 54 54 ARG N N 15 122.826 0.20 . 1 . . . . . . . . 5602 1 537 . 1 1 54 54 ARG H H 1 7.914 0.02 . 1 . . . . . . . . 5602 1 538 . 1 1 54 54 ARG CA C 13 59.683 0.40 . 1 . . . . . . . . 5602 1 539 . 1 1 54 54 ARG HA H 1 4.012 0.02 . 1 . . . . . . . . 5602 1 540 . 1 1 54 54 ARG CB C 13 29.215 0.40 . 1 . . . . . . . . 5602 1 541 . 1 1 54 54 ARG HB2 H 1 1.665 0.02 . 2 . . . . . . . . 5602 1 542 . 1 1 54 54 ARG HB3 H 1 1.885 0.02 . 2 . . . . . . . . 5602 1 543 . 1 1 54 54 ARG CG C 13 25.479 0.40 . 1 . . . . . . . . 5602 1 544 . 1 1 54 54 ARG CD C 13 41.722 0.40 . 1 . . . . . . . . 5602 1 545 . 1 1 54 54 ARG HD2 H 1 2.912 0.02 . 2 . . . . . . . . 5602 1 546 . 1 1 54 54 ARG HD3 H 1 3.303 0.02 . 2 . . . . . . . . 5602 1 547 . 1 1 54 54 ARG C C 13 178.167 0.40 . 1 . . . . . . . . 5602 1 548 . 1 1 55 55 GLU N N 15 121.451 0.20 . 1 . . . . . . . . 5602 1 549 . 1 1 55 55 GLU H H 1 8.694 0.02 . 1 . . . . . . . . 5602 1 550 . 1 1 55 55 GLU CA C 13 59.017 0.40 . 1 . . . . . . . . 5602 1 551 . 1 1 55 55 GLU HA H 1 3.898 0.02 . 1 . . . . . . . . 5602 1 552 . 1 1 55 55 GLU CB C 13 27.773 0.40 . 1 . . . . . . . . 5602 1 553 . 1 1 55 55 GLU HB2 H 1 1.892 0.02 . 1 . . . . . . . . 5602 1 554 . 1 1 55 55 GLU HB3 H 1 1.892 0.02 . 1 . . . . . . . . 5602 1 555 . 1 1 55 55 GLU CG C 13 34.535 0.40 . 1 . . . . . . . . 5602 1 556 . 1 1 55 55 GLU C C 13 178.661 0.40 . 1 . . . . . . . . 5602 1 557 . 1 1 56 56 VAL N N 15 120.464 0.20 . 1 . . . . . . . . 5602 1 558 . 1 1 56 56 VAL H H 1 7.890 0.02 . 1 . . . . . . . . 5602 1 559 . 1 1 56 56 VAL CA C 13 67.408 0.40 . 1 . . . . . . . . 5602 1 560 . 1 1 56 56 VAL HA H 1 3.277 0.02 . 1 . . . . . . . . 5602 1 561 . 1 1 56 56 VAL CB C 13 31.997 0.40 . 1 . . . . . . . . 5602 1 562 . 1 1 56 56 VAL HB H 1 1.915 0.02 . 1 . . . . . . . . 5602 1 563 . 1 1 56 56 VAL CG2 C 13 22.555 0.40 . 2 . . . . . . . . 5602 1 564 . 1 1 56 56 VAL HG21 H 1 0.754 0.02 . 2 . . . . . . . . 5602 1 565 . 1 1 56 56 VAL HG22 H 1 0.754 0.02 . 2 . . . . . . . . 5602 1 566 . 1 1 56 56 VAL HG23 H 1 0.754 0.02 . 2 . . . . . . . . 5602 1 567 . 1 1 56 56 VAL CG1 C 13 24.685 0.40 . 2 . . . . . . . . 5602 1 568 . 1 1 56 56 VAL HG11 H 1 0.826 0.02 . 2 . . . . . . . . 5602 1 569 . 1 1 56 56 VAL HG12 H 1 0.826 0.02 . 2 . . . . . . . . 5602 1 570 . 1 1 56 56 VAL HG13 H 1 0.826 0.02 . 2 . . . . . . . . 5602 1 571 . 1 1 56 56 VAL C C 13 177.955 0.40 . 1 . . . . . . . . 5602 1 572 . 1 1 57 57 LEU N N 15 124.266 0.20 . 1 . . . . . . . . 5602 1 573 . 1 1 57 57 LEU H H 1 7.546 0.02 . 1 . . . . . . . . 5602 1 574 . 1 1 57 57 LEU CA C 13 58.735 0.40 . 1 . . . . . . . . 5602 1 575 . 1 1 57 57 LEU HA H 1 4.088 0.02 . 1 . . . . . . . . 5602 1 576 . 1 1 57 57 LEU CB C 13 42.084 0.40 . 1 . . . . . . . . 5602 1 577 . 1 1 57 57 LEU HB2 H 1 1.557 0.02 . 2 . . . . . . . . 5602 1 578 . 1 1 57 57 LEU HB3 H 1 2.010 0.02 . 2 . . . . . . . . 5602 1 579 . 1 1 57 57 LEU CG C 13 26.814 0.40 . 1 . . . . . . . . 5602 1 580 . 1 1 57 57 LEU HG H 1 1.453 0.02 . 1 . . . . . . . . 5602 1 581 . 1 1 57 57 LEU CD1 C 13 22.829 0.40 . 1 . . . . . . . . 5602 1 582 . 1 1 57 57 LEU HD11 H 1 0.642 0.02 . 1 . . . . . . . . 5602 1 583 . 1 1 57 57 LEU HD12 H 1 0.642 0.02 . 1 . . . . . . . . 5602 1 584 . 1 1 57 57 LEU HD13 H 1 0.642 0.02 . 1 . . . . . . . . 5602 1 585 . 1 1 57 57 LEU CD2 C 13 25.536 0.40 . 1 . . . . . . . . 5602 1 586 . 1 1 57 57 LEU HD21 H 1 0.833 0.02 . 1 . . . . . . . . 5602 1 587 . 1 1 57 57 LEU HD22 H 1 0.833 0.02 . 1 . . . . . . . . 5602 1 588 . 1 1 57 57 LEU HD23 H 1 0.833 0.02 . 1 . . . . . . . . 5602 1 589 . 1 1 57 57 LEU C C 13 180.334 0.40 . 1 . . . . . . . . 5602 1 590 . 1 1 58 58 GLU N N 15 120.948 0.20 . 1 . . . . . . . . 5602 1 591 . 1 1 58 58 GLU H H 1 8.391 0.02 . 1 . . . . . . . . 5602 1 592 . 1 1 58 58 GLU CA C 13 59.418 0.40 . 1 . . . . . . . . 5602 1 593 . 1 1 58 58 GLU HA H 1 3.875 0.02 . 1 . . . . . . . . 5602 1 594 . 1 1 58 58 GLU CB C 13 30.268 0.40 . 1 . . . . . . . . 5602 1 595 . 1 1 58 58 GLU HB2 H 1 2.069 0.02 . 2 . . . . . . . . 5602 1 596 . 1 1 58 58 GLU HB3 H 1 1.911 0.02 . 2 . . . . . . . . 5602 1 597 . 1 1 58 58 GLU CG C 13 37.069 0.40 . 1 . . . . . . . . 5602 1 598 . 1 1 58 58 GLU HG2 H 1 2.180 0.02 . 2 . . . . . . . . 5602 1 599 . 1 1 58 58 GLU HG3 H 1 2.452 0.02 . 2 . . . . . . . . 5602 1 600 . 1 1 58 58 GLU C C 13 178.661 0.40 . 1 . . . . . . . . 5602 1 601 . 1 1 59 59 GLU N N 15 117.336 0.20 . 1 . . . . . . . . 5602 1 602 . 1 1 59 59 GLU H H 1 8.510 0.02 . 1 . . . . . . . . 5602 1 603 . 1 1 59 59 GLU CA C 13 59.158 0.40 . 1 . . . . . . . . 5602 1 604 . 1 1 59 59 GLU HA H 1 4.253 0.02 . 1 . . . . . . . . 5602 1 605 . 1 1 59 59 GLU CB C 13 30.947 0.40 . 1 . . . . . . . . 5602 1 606 . 1 1 59 59 GLU HB2 H 1 2.040 0.02 . 2 . . . . . . . . 5602 1 607 . 1 1 59 59 GLU HB3 H 1 1.912 0.02 . 2 . . . . . . . . 5602 1 608 . 1 1 59 59 GLU CG C 13 35.759 0.40 . 1 . . . . . . . . 5602 1 609 . 1 1 59 59 GLU HG2 H 1 2.211 0.02 . 2 . . . . . . . . 5602 1 610 . 1 1 59 59 GLU HG3 H 1 2.597 0.02 . 2 . . . . . . . . 5602 1 611 . 1 1 59 59 GLU C C 13 178.842 0.40 . 1 . . . . . . . . 5602 1 612 . 1 1 60 60 VAL N N 15 111.041 0.20 . 1 . . . . . . . . 5602 1 613 . 1 1 60 60 VAL H H 1 8.119 0.02 . 1 . . . . . . . . 5602 1 614 . 1 1 60 60 VAL CA C 13 60.363 0.40 . 1 . . . . . . . . 5602 1 615 . 1 1 60 60 VAL HA H 1 4.783 0.02 . 1 . . . . . . . . 5602 1 616 . 1 1 60 60 VAL CB C 13 33.617 0.40 . 1 . . . . . . . . 5602 1 617 . 1 1 60 60 VAL HB H 1 2.313 0.02 . 1 . . . . . . . . 5602 1 618 . 1 1 60 60 VAL CG2 C 13 20.851 0.40 . 2 . . . . . . . . 5602 1 619 . 1 1 60 60 VAL HG21 H 1 0.669 0.02 . 2 . . . . . . . . 5602 1 620 . 1 1 60 60 VAL HG22 H 1 0.669 0.02 . 2 . . . . . . . . 5602 1 621 . 1 1 60 60 VAL HG23 H 1 0.669 0.02 . 2 . . . . . . . . 5602 1 622 . 1 1 60 60 VAL CG1 C 13 22.981 0.40 . 2 . . . . . . . . 5602 1 623 . 1 1 60 60 VAL HG11 H 1 0.725 0.02 . 2 . . . . . . . . 5602 1 624 . 1 1 60 60 VAL HG12 H 1 0.725 0.02 . 2 . . . . . . . . 5602 1 625 . 1 1 60 60 VAL HG13 H 1 0.725 0.02 . 2 . . . . . . . . 5602 1 626 . 1 1 60 60 VAL C C 13 175.459 0.40 . 1 . . . . . . . . 5602 1 627 . 1 1 61 61 ASN N N 15 119.423 0.20 . 1 . . . . . . . . 5602 1 628 . 1 1 61 61 ASN H H 1 7.883 0.02 . 1 . . . . . . . . 5602 1 629 . 1 1 61 61 ASN CA C 13 55.129 0.40 . 1 . . . . . . . . 5602 1 630 . 1 1 61 61 ASN HA H 1 4.697 0.02 . 1 . . . . . . . . 5602 1 631 . 1 1 61 61 ASN CB C 13 39.475 0.40 . 1 . . . . . . . . 5602 1 632 . 1 1 61 61 ASN HB2 H 1 3.646 0.02 . 2 . . . . . . . . 5602 1 633 . 1 1 61 61 ASN HB3 H 1 2.398 0.02 . 2 . . . . . . . . 5602 1 634 . 1 1 61 61 ASN C C 13 174.058 0.40 . 1 . . . . . . . . 5602 1 635 . 1 1 62 62 LEU N N 15 116.160 0.20 . 1 . . . . . . . . 5602 1 636 . 1 1 62 62 LEU H H 1 6.432 0.02 . 1 . . . . . . . . 5602 1 637 . 1 1 62 62 LEU CA C 13 53.047 0.40 . 1 . . . . . . . . 5602 1 638 . 1 1 62 62 LEU HA H 1 4.786 0.02 . 1 . . . . . . . . 5602 1 639 . 1 1 62 62 LEU CB C 13 45.082 0.40 . 1 . . . . . . . . 5602 1 640 . 1 1 62 62 LEU HB2 H 1 1.001 0.02 . 2 . . . . . . . . 5602 1 641 . 1 1 62 62 LEU HB3 H 1 1.203 0.02 . 2 . . . . . . . . 5602 1 642 . 1 1 62 62 LEU HG H 1 1.477 0.02 . 1 . . . . . . . . 5602 1 643 . 1 1 62 62 LEU HD11 H 1 0.674 0.02 . 2 . . . . . . . . 5602 1 644 . 1 1 62 62 LEU HD12 H 1 0.674 0.02 . 2 . . . . . . . . 5602 1 645 . 1 1 62 62 LEU HD13 H 1 0.674 0.02 . 2 . . . . . . . . 5602 1 646 . 1 1 62 62 LEU C C 13 175.952 0.40 . 1 . . . . . . . . 5602 1 647 . 1 1 63 63 THR N N 15 122.955 0.20 . 1 . . . . . . . . 5602 1 648 . 1 1 63 63 THR H H 1 8.670 0.02 . 1 . . . . . . . . 5602 1 649 . 1 1 63 63 THR CA C 13 63.173 0.40 . 1 . . . . . . . . 5602 1 650 . 1 1 63 63 THR HA H 1 4.202 0.02 . 1 . . . . . . . . 5602 1 651 . 1 1 63 63 THR CB C 13 68.676 0.40 . 1 . . . . . . . . 5602 1 652 . 1 1 63 63 THR HB H 1 4.069 0.02 . 1 . . . . . . . . 5602 1 653 . 1 1 63 63 THR CG2 C 13 22.815 0.40 . 1 . . . . . . . . 5602 1 654 . 1 1 63 63 THR HG21 H 1 0.855 0.02 . 1 . . . . . . . . 5602 1 655 . 1 1 63 63 THR HG22 H 1 0.855 0.02 . 1 . . . . . . . . 5602 1 656 . 1 1 63 63 THR HG23 H 1 0.855 0.02 . 1 . . . . . . . . 5602 1 657 . 1 1 63 63 THR C C 13 174.474 0.40 . 1 . . . . . . . . 5602 1 658 . 1 1 64 64 VAL N N 15 120.410 0.20 . 1 . . . . . . . . 5602 1 659 . 1 1 64 64 VAL H H 1 8.071 0.02 . 1 . . . . . . . . 5602 1 660 . 1 1 64 64 VAL CA C 13 57.764 0.40 . 1 . . . . . . . . 5602 1 661 . 1 1 64 64 VAL HA H 1 5.232 0.02 . 1 . . . . . . . . 5602 1 662 . 1 1 64 64 VAL CB C 13 35.173 0.40 . 1 . . . . . . . . 5602 1 663 . 1 1 64 64 VAL HB H 1 1.855 0.02 . 1 . . . . . . . . 5602 1 664 . 1 1 64 64 VAL CG2 C 13 22.000 0.40 . 2 . . . . . . . . 5602 1 665 . 1 1 64 64 VAL HG21 H 1 0.649 0.02 . 2 . . . . . . . . 5602 1 666 . 1 1 64 64 VAL HG22 H 1 0.649 0.02 . 2 . . . . . . . . 5602 1 667 . 1 1 64 64 VAL HG23 H 1 0.649 0.02 . 2 . . . . . . . . 5602 1 668 . 1 1 64 64 VAL CG1 C 13 22.129 0.40 . 2 . . . . . . . . 5602 1 669 . 1 1 64 64 VAL HG11 H 1 0.719 0.02 . 2 . . . . . . . . 5602 1 670 . 1 1 64 64 VAL HG12 H 1 0.719 0.02 . 2 . . . . . . . . 5602 1 671 . 1 1 64 64 VAL HG13 H 1 0.719 0.02 . 2 . . . . . . . . 5602 1 672 . 1 1 64 64 VAL C C 13 174.199 0.40 . 1 . . . . . . . . 5602 1 673 . 1 1 65 65 GLN N N 15 123.840 0.20 . 1 . . . . . . . . 5602 1 674 . 1 1 65 65 GLN H H 1 8.984 0.02 . 1 . . . . . . . . 5602 1 675 . 1 1 65 65 GLN CA C 13 54.450 0.40 . 1 . . . . . . . . 5602 1 676 . 1 1 65 65 GLN HA H 1 4.476 0.02 . 1 . . . . . . . . 5602 1 677 . 1 1 65 65 GLN CB C 13 30.004 0.40 . 1 . . . . . . . . 5602 1 678 . 1 1 65 65 GLN HB2 H 1 1.822 0.02 . 2 . . . . . . . . 5602 1 679 . 1 1 65 65 GLN HB3 H 1 1.919 0.02 . 2 . . . . . . . . 5602 1 680 . 1 1 65 65 GLN CG C 13 33.884 0.40 . 1 . . . . . . . . 5602 1 681 . 1 1 65 65 GLN HG2 H 1 2.105 0.02 . 2 . . . . . . . . 5602 1 682 . 1 1 65 65 GLN HG3 H 1 2.220 0.02 . 2 . . . . . . . . 5602 1 683 . 1 1 65 65 GLN C C 13 176.116 0.40 . 1 . . . . . . . . 5602 1 684 . 1 1 66 66 VAL N N 15 133.481 0.20 . 1 . . . . . . . . 5602 1 685 . 1 1 66 66 VAL H H 1 9.042 0.02 . 1 . . . . . . . . 5602 1 686 . 1 1 66 66 VAL CA C 13 63.754 0.40 . 1 . . . . . . . . 5602 1 687 . 1 1 66 66 VAL HA H 1 4.100 0.02 . 1 . . . . . . . . 5602 1 688 . 1 1 66 66 VAL CB C 13 31.725 0.40 . 1 . . . . . . . . 5602 1 689 . 1 1 66 66 VAL HB H 1 1.766 0.02 . 1 . . . . . . . . 5602 1 690 . 1 1 66 66 VAL CG2 C 13 20.851 0.40 . 1 . . . . . . . . 5602 1 691 . 1 1 66 66 VAL HG21 H 1 0.876 0.02 . 1 . . . . . . . . 5602 1 692 . 1 1 66 66 VAL HG22 H 1 0.876 0.02 . 1 . . . . . . . . 5602 1 693 . 1 1 66 66 VAL HG23 H 1 0.876 0.02 . 1 . . . . . . . . 5602 1 694 . 1 1 66 66 VAL CG1 C 13 21.703 0.40 . 1 . . . . . . . . 5602 1 695 . 1 1 66 66 VAL HG11 H 1 0.514 0.02 . 1 . . . . . . . . 5602 1 696 . 1 1 66 66 VAL HG12 H 1 0.514 0.02 . 1 . . . . . . . . 5602 1 697 . 1 1 66 66 VAL HG13 H 1 0.514 0.02 . 1 . . . . . . . . 5602 1 698 . 1 1 66 66 VAL C C 13 175.714 0.40 . 1 . . . . . . . . 5602 1 699 . 1 1 67 67 GLY N N 15 123.325 0.20 . 1 . . . . . . . . 5602 1 700 . 1 1 67 67 GLY H H 1 8.776 0.02 . 1 . . . . . . . . 5602 1 701 . 1 1 67 67 GLY CA C 13 44.873 0.40 . 1 . . . . . . . . 5602 1 702 . 1 1 67 67 GLY HA3 H 1 4.481 0.02 . 2 . . . . . . . . 5602 1 703 . 1 1 67 67 GLY HA2 H 1 3.685 0.02 . 2 . . . . . . . . 5602 1 704 . 1 1 67 67 GLY C C 13 173.065 0.40 . 1 . . . . . . . . 5602 1 705 . 1 1 68 68 GLU N N 15 124.693 0.20 . 1 . . . . . . . . 5602 1 706 . 1 1 68 68 GLU H H 1 8.873 0.02 . 1 . . . . . . . . 5602 1 707 . 1 1 68 68 GLU CA C 13 56.816 0.40 . 1 . . . . . . . . 5602 1 708 . 1 1 68 68 GLU HA H 1 4.167 0.02 . 1 . . . . . . . . 5602 1 709 . 1 1 68 68 GLU CB C 13 30.697 0.40 . 1 . . . . . . . . 5602 1 710 . 1 1 68 68 GLU HB2 H 1 2.328 0.02 . 1 . . . . . . . . 5602 1 711 . 1 1 68 68 GLU HB3 H 1 2.328 0.02 . 1 . . . . . . . . 5602 1 712 . 1 1 68 68 GLU CG C 13 36.281 0.40 . 1 . . . . . . . . 5602 1 713 . 1 1 68 68 GLU C C 13 176.184 0.40 . 1 . . . . . . . . 5602 1 714 . 1 1 69 69 GLN N N 15 124.693 0.20 . 1 . . . . . . . . 5602 1 715 . 1 1 69 69 GLN H H 1 8.766 0.02 . 1 . . . . . . . . 5602 1 716 . 1 1 69 69 GLN CA C 13 55.899 0.40 . 1 . . . . . . . . 5602 1 717 . 1 1 69 69 GLN HA H 1 4.430 0.02 . 1 . . . . . . . . 5602 1 718 . 1 1 69 69 GLN CB C 13 30.477 0.40 . 1 . . . . . . . . 5602 1 719 . 1 1 69 69 GLN HB2 H 1 1.920 0.02 . 2 . . . . . . . . 5602 1 720 . 1 1 69 69 GLN HB3 H 1 1.990 0.02 . 2 . . . . . . . . 5602 1 721 . 1 1 69 69 GLN C C 13 175.898 0.40 . 1 . . . . . . . . 5602 1 722 . 1 1 70 70 VAL N N 15 124.266 0.20 . 1 . . . . . . . . 5602 1 723 . 1 1 70 70 VAL H H 1 8.659 0.02 . 1 . . . . . . . . 5602 1 724 . 1 1 70 70 VAL CA C 13 61.401 0.40 . 1 . . . . . . . . 5602 1 725 . 1 1 70 70 VAL HA H 1 4.361 0.02 . 1 . . . . . . . . 5602 1 726 . 1 1 70 70 VAL CB C 13 32.902 0.40 . 1 . . . . . . . . 5602 1 727 . 1 1 70 70 VAL HB H 1 2.146 0.02 . 1 . . . . . . . . 5602 1 728 . 1 1 70 70 VAL CG2 C 13 21.539 0.40 . 1 . . . . . . . . 5602 1 729 . 1 1 70 70 VAL HG21 H 1 0.680 0.02 . 1 . . . . . . . . 5602 1 730 . 1 1 70 70 VAL HG22 H 1 0.680 0.02 . 1 . . . . . . . . 5602 1 731 . 1 1 70 70 VAL HG23 H 1 0.680 0.02 . 1 . . . . . . . . 5602 1 732 . 1 1 70 70 VAL CG1 C 13 22.399 0.40 . 1 . . . . . . . . 5602 1 733 . 1 1 70 70 VAL HG11 H 1 0.933 0.02 . 1 . . . . . . . . 5602 1 734 . 1 1 70 70 VAL HG12 H 1 0.933 0.02 . 1 . . . . . . . . 5602 1 735 . 1 1 70 70 VAL HG13 H 1 0.933 0.02 . 1 . . . . . . . . 5602 1 736 . 1 1 71 71 LEU N N 15 122.560 0.20 . 1 . . . . . . . . 5602 1 737 . 1 1 71 71 LEU H H 1 7.258 0.02 . 1 . . . . . . . . 5602 1 738 . 1 1 71 71 LEU CA C 13 55.653 0.40 . 1 . . . . . . . . 5602 1 739 . 1 1 71 71 LEU HA H 1 4.357 0.02 . 1 . . . . . . . . 5602 1 740 . 1 1 71 71 LEU CB C 13 45.224 0.40 . 1 . . . . . . . . 5602 1 741 . 1 1 71 71 LEU HB2 H 1 1.106 0.02 . 2 . . . . . . . . 5602 1 742 . 1 1 71 71 LEU HB3 H 1 1.445 0.02 . 2 . . . . . . . . 5602 1 743 . 1 1 71 71 LEU CG C 13 27.240 0.40 . 1 . . . . . . . . 5602 1 744 . 1 1 71 71 LEU HG H 1 1.124 0.02 . 1 . . . . . . . . 5602 1 745 . 1 1 71 71 LEU CD1 C 13 25.962 0.40 . 1 . . . . . . . . 5602 1 746 . 1 1 71 71 LEU HD11 H 1 0.232 0.02 . 1 . . . . . . . . 5602 1 747 . 1 1 71 71 LEU HD12 H 1 0.232 0.02 . 1 . . . . . . . . 5602 1 748 . 1 1 71 71 LEU HD13 H 1 0.232 0.02 . 1 . . . . . . . . 5602 1 749 . 1 1 71 71 LEU CD2 C 13 23.407 0.40 . 1 . . . . . . . . 5602 1 750 . 1 1 71 71 LEU HD21 H 1 0.815 0.02 . 1 . . . . . . . . 5602 1 751 . 1 1 71 71 LEU HD22 H 1 0.815 0.02 . 1 . . . . . . . . 5602 1 752 . 1 1 71 71 LEU HD23 H 1 0.815 0.02 . 1 . . . . . . . . 5602 1 753 . 1 1 71 71 LEU C C 13 173.598 0.40 . 1 . . . . . . . . 5602 1 754 . 1 1 72 72 GLU N N 15 126.826 0.20 . 1 . . . . . . . . 5602 1 755 . 1 1 72 72 GLU H H 1 7.933 0.02 . 1 . . . . . . . . 5602 1 756 . 1 1 72 72 GLU CA C 13 55.383 0.40 . 1 . . . . . . . . 5602 1 757 . 1 1 72 72 GLU HA H 1 5.138 0.02 . 1 . . . . . . . . 5602 1 758 . 1 1 72 72 GLU CB C 13 33.049 0.40 . 1 . . . . . . . . 5602 1 759 . 1 1 72 72 GLU HB2 H 1 1.779 0.02 . 2 . . . . . . . . 5602 1 760 . 1 1 72 72 GLU HB3 H 1 1.645 0.02 . 2 . . . . . . . . 5602 1 761 . 1 1 72 72 GLU CG C 13 36.428 0.40 . 1 . . . . . . . . 5602 1 762 . 1 1 72 72 GLU C C 13 174.374 0.40 . 1 . . . . . . . . 5602 1 763 . 1 1 73 73 LEU N N 15 125.542 0.20 . 1 . . . . . . . . 5602 1 764 . 1 1 73 73 LEU H H 1 8.516 0.02 . 1 . . . . . . . . 5602 1 765 . 1 1 73 73 LEU CA C 13 53.959 0.40 . 1 . . . . . . . . 5602 1 766 . 1 1 73 73 LEU HA H 1 4.541 0.02 . 1 . . . . . . . . 5602 1 767 . 1 1 73 73 LEU CB C 13 46.910 0.40 . 1 . . . . . . . . 5602 1 768 . 1 1 73 73 LEU HB2 H 1 1.367 0.02 . 2 . . . . . . . . 5602 1 769 . 1 1 73 73 LEU HB3 H 1 1.630 0.02 . 2 . . . . . . . . 5602 1 770 . 1 1 73 73 LEU CG C 13 26.706 0.40 . 1 . . . . . . . . 5602 1 771 . 1 1 73 73 LEU HG H 1 1.290 0.02 . 1 . . . . . . . . 5602 1 772 . 1 1 73 73 LEU HD11 H 1 0.745 0.02 . 2 . . . . . . . . 5602 1 773 . 1 1 73 73 LEU HD12 H 1 0.745 0.02 . 2 . . . . . . . . 5602 1 774 . 1 1 73 73 LEU HD13 H 1 0.745 0.02 . 2 . . . . . . . . 5602 1 775 . 1 1 73 73 LEU C C 13 175.049 0.40 . 1 . . . . . . . . 5602 1 776 . 1 1 74 74 ASP N N 15 125.973 0.20 . 1 . . . . . . . . 5602 1 777 . 1 1 74 74 ASP H H 1 8.601 0.02 . 1 . . . . . . . . 5602 1 778 . 1 1 74 74 ASP CA C 13 54.143 0.40 . 1 . . . . . . . . 5602 1 779 . 1 1 74 74 ASP HA H 1 5.001 0.02 . 1 . . . . . . . . 5602 1 780 . 1 1 74 74 ASP CB C 13 41.320 0.40 . 1 . . . . . . . . 5602 1 781 . 1 1 74 74 ASP HB2 H 1 2.352 0.02 . 2 . . . . . . . . 5602 1 782 . 1 1 74 74 ASP HB3 H 1 2.511 0.02 . 2 . . . . . . . . 5602 1 783 . 1 1 74 74 ASP C C 13 174.288 0.40 . 1 . . . . . . . . 5602 1 784 . 1 1 75 75 ASN N N 15 125.973 0.20 . 1 . . . . . . . . 5602 1 785 . 1 1 75 75 ASN H H 1 8.975 0.02 . 1 . . . . . . . . 5602 1 786 . 1 1 75 75 ASN CA C 13 52.050 0.40 . 1 . . . . . . . . 5602 1 787 . 1 1 75 75 ASN HA H 1 4.654 0.02 . 1 . . . . . . . . 5602 1 788 . 1 1 75 75 ASN CB C 13 38.898 0.40 . 1 . . . . . . . . 5602 1 789 . 1 1 75 75 ASN HB2 H 1 2.488 0.02 . 2 . . . . . . . . 5602 1 790 . 1 1 75 75 ASN HB3 H 1 3.014 0.02 . 2 . . . . . . . . 5602 1 791 . 1 1 75 75 ASN C C 13 174.909 0.40 . 1 . . . . . . . . 5602 1 792 . 1 1 76 76 LEU N N 15 125.973 0.20 . 1 . . . . . . . . 5602 1 793 . 1 1 76 76 LEU H H 1 8.412 0.02 . 1 . . . . . . . . 5602 1 794 . 1 1 76 76 LEU CA C 13 55.016 0.40 . 1 . . . . . . . . 5602 1 795 . 1 1 76 76 LEU HA H 1 4.197 0.02 . 1 . . . . . . . . 5602 1 796 . 1 1 76 76 LEU CB C 13 41.893 0.40 . 1 . . . . . . . . 5602 1 797 . 1 1 76 76 LEU HB2 H 1 1.373 0.02 . 2 . . . . . . . . 5602 1 798 . 1 1 76 76 LEU HB3 H 1 1.472 0.02 . 2 . . . . . . . . 5602 1 799 . 1 1 76 76 LEU HD11 H 1 0.818 0.02 . 2 . . . . . . . . 5602 1 800 . 1 1 76 76 LEU HD12 H 1 0.818 0.02 . 2 . . . . . . . . 5602 1 801 . 1 1 76 76 LEU HD13 H 1 0.818 0.02 . 2 . . . . . . . . 5602 1 802 . 1 1 76 76 LEU HD21 H 1 0.724 0.02 . 2 . . . . . . . . 5602 1 803 . 1 1 76 76 LEU HD22 H 1 0.724 0.02 . 2 . . . . . . . . 5602 1 804 . 1 1 76 76 LEU HD23 H 1 0.724 0.02 . 2 . . . . . . . . 5602 1 805 . 1 1 76 76 LEU C C 13 177.174 0.40 . 1 . . . . . . . . 5602 1 806 . 1 1 77 77 HIS N N 15 120.770 0.20 . 1 . . . . . . . . 5602 1 807 . 1 1 77 77 HIS H H 1 7.993 0.02 . 1 . . . . . . . . 5602 1 808 . 1 1 77 77 HIS CA C 13 56.496 0.40 . 1 . . . . . . . . 5602 1 809 . 1 1 77 77 HIS HA H 1 4.540 0.02 . 1 . . . . . . . . 5602 1 810 . 1 1 77 77 HIS CB C 13 30.991 0.40 . 1 . . . . . . . . 5602 1 811 . 1 1 77 77 HIS HB2 H 1 3.045 0.02 . 2 . . . . . . . . 5602 1 812 . 1 1 77 77 HIS HB3 H 1 3.140 0.02 . 2 . . . . . . . . 5602 1 813 . 1 1 77 77 HIS C C 13 175.490 0.40 . 1 . . . . . . . . 5602 1 814 . 1 1 78 78 GLY N N 15 111.894 0.20 . 1 . . . . . . . . 5602 1 815 . 1 1 78 78 GLY H H 1 8.066 0.02 . 1 . . . . . . . . 5602 1 816 . 1 1 78 78 GLY CA C 13 44.710 0.40 . 1 . . . . . . . . 5602 1 817 . 1 1 78 78 GLY HA2 H 1 3.804 0.02 . 1 . . . . . . . . 5602 1 818 . 1 1 78 78 GLY HA3 H 1 3.804 0.02 . 1 . . . . . . . . 5602 1 819 . 1 1 78 78 GLY C C 13 173.378 0.40 . 1 . . . . . . . . 5602 1 820 . 1 1 79 79 ALA N N 15 124.266 0.20 . 1 . . . . . . . . 5602 1 821 . 1 1 79 79 ALA H H 1 8.300 0.02 . 1 . . . . . . . . 5602 1 822 . 1 1 79 79 ALA CA C 13 53.720 0.40 . 1 . . . . . . . . 5602 1 823 . 1 1 79 79 ALA HA H 1 4.052 0.02 . 1 . . . . . . . . 5602 1 824 . 1 1 79 79 ALA CB C 13 19.294 0.40 . 1 . . . . . . . . 5602 1 825 . 1 1 79 79 ALA HB1 H 1 1.290 0.02 . 1 . . . . . . . . 5602 1 826 . 1 1 79 79 ALA HB2 H 1 1.290 0.02 . 1 . . . . . . . . 5602 1 827 . 1 1 79 79 ALA HB3 H 1 1.290 0.02 . 1 . . . . . . . . 5602 1 828 . 1 1 79 79 ALA C C 13 177.756 0.40 . 1 . . . . . . . . 5602 1 829 . 1 1 80 80 ASN N N 15 117.014 0.20 . 1 . . . . . . . . 5602 1 830 . 1 1 80 80 ASN H H 1 8.133 0.02 . 1 . . . . . . . . 5602 1 831 . 1 1 80 80 ASN CA C 13 50.765 0.40 . 1 . . . . . . . . 5602 1 832 . 1 1 80 80 ASN HA H 1 5.021 0.02 . 1 . . . . . . . . 5602 1 833 . 1 1 80 80 ASN CB C 13 40.052 0.40 . 1 . . . . . . . . 5602 1 834 . 1 1 80 80 ASN HB2 H 1 2.490 0.02 . 2 . . . . . . . . 5602 1 835 . 1 1 80 80 ASN HB3 H 1 2.554 0.02 . 2 . . . . . . . . 5602 1 836 . 1 1 80 80 ASN C C 13 171.790 0.40 . 1 . . . . . . . . 5602 1 837 . 1 1 81 81 PRO CA C 13 63.881 0.40 . 1 . . . . . . . . 5602 1 838 . 1 1 81 81 PRO HA H 1 4.479 0.02 . 1 . . . . . . . . 5602 1 839 . 1 1 81 81 PRO CB C 13 33.109 0.40 . 1 . . . . . . . . 5602 1 840 . 1 1 81 81 PRO HB2 H 1 2.125 0.02 . 2 . . . . . . . . 5602 1 841 . 1 1 81 81 PRO HB3 H 1 1.861 0.02 . 2 . . . . . . . . 5602 1 842 . 1 1 81 81 PRO CG C 13 27.624 0.40 . 1 . . . . . . . . 5602 1 843 . 1 1 81 81 PRO HG2 H 1 1.839 0.02 . 2 . . . . . . . . 5602 1 844 . 1 1 81 81 PRO HG3 H 1 1.950 0.02 . 2 . . . . . . . . 5602 1 845 . 1 1 81 81 PRO CD C 13 50.241 0.40 . 1 . . . . . . . . 5602 1 846 . 1 1 81 81 PRO HD2 H 1 3.540 0.02 . 2 . . . . . . . . 5602 1 847 . 1 1 81 81 PRO HD3 H 1 3.579 0.02 . 2 . . . . . . . . 5602 1 848 . 1 1 81 81 PRO C C 13 176.321 0.40 . 1 . . . . . . . . 5602 1 849 . 1 1 82 82 SER N N 15 117.706 0.20 . 1 . . . . . . . . 5602 1 850 . 1 1 82 82 SER H H 1 8.406 0.02 . 1 . . . . . . . . 5602 1 851 . 1 1 82 82 SER CA C 13 57.593 0.40 . 1 . . . . . . . . 5602 1 852 . 1 1 82 82 SER HA H 1 5.035 0.02 . 1 . . . . . . . . 5602 1 853 . 1 1 82 82 SER CB C 13 67.024 0.40 . 1 . . . . . . . . 5602 1 854 . 1 1 82 82 SER HB2 H 1 3.673 0.02 . 2 . . . . . . . . 5602 1 855 . 1 1 82 82 SER HB3 H 1 3.731 0.02 . 2 . . . . . . . . 5602 1 856 . 1 1 82 82 SER C C 13 172.338 0.40 . 1 . . . . . . . . 5602 1 857 . 1 1 83 83 HIS N N 15 125.120 0.20 . 1 . . . . . . . . 5602 1 858 . 1 1 83 83 HIS H H 1 8.585 0.02 . 1 . . . . . . . . 5602 1 859 . 1 1 83 83 HIS CA C 13 55.349 0.40 . 1 . . . . . . . . 5602 1 860 . 1 1 83 83 HIS HA H 1 5.156 0.02 . 1 . . . . . . . . 5602 1 861 . 1 1 83 83 HIS CB C 13 30.264 0.40 . 1 . . . . . . . . 5602 1 862 . 1 1 83 83 HIS HB2 H 1 2.809 0.02 . 2 . . . . . . . . 5602 1 863 . 1 1 83 83 HIS HB3 H 1 3.050 0.02 . 2 . . . . . . . . 5602 1 864 . 1 1 83 83 HIS C C 13 173.196 0.40 . 1 . . . . . . . . 5602 1 865 . 1 1 84 84 GLU N N 15 127.679 0.20 . 1 . . . . . . . . 5602 1 866 . 1 1 84 84 GLU H H 1 8.691 0.02 . 1 . . . . . . . . 5602 1 867 . 1 1 84 84 GLU CA C 13 55.214 0.40 . 1 . . . . . . . . 5602 1 868 . 1 1 84 84 GLU HA H 1 4.819 0.02 . 1 . . . . . . . . 5602 1 869 . 1 1 84 84 GLU CB C 13 34.062 0.40 . 1 . . . . . . . . 5602 1 870 . 1 1 84 84 GLU HB2 H 1 1.289 0.02 . 1 . . . . . . . . 5602 1 871 . 1 1 84 84 GLU HB3 H 1 1.289 0.02 . 1 . . . . . . . . 5602 1 872 . 1 1 84 84 GLU CG C 13 37.616 0.40 . 1 . . . . . . . . 5602 1 873 . 1 1 84 84 GLU HG2 H 1 1.701 0.02 . 2 . . . . . . . . 5602 1 874 . 1 1 84 84 GLU HG3 H 1 2.190 0.02 . 2 . . . . . . . . 5602 1 875 . 1 1 84 84 GLU C C 13 174.461 0.40 . 1 . . . . . . . . 5602 1 876 . 1 1 85 85 HIS N N 15 123.982 0.20 . 1 . . . . . . . . 5602 1 877 . 1 1 85 85 HIS H H 1 8.548 0.02 . 1 . . . . . . . . 5602 1 878 . 1 1 85 85 HIS CA C 13 56.810 0.40 . 1 . . . . . . . . 5602 1 879 . 1 1 85 85 HIS HA H 1 4.418 0.02 . 1 . . . . . . . . 5602 1 880 . 1 1 85 85 HIS CB C 13 30.716 0.40 . 1 . . . . . . . . 5602 1 881 . 1 1 85 85 HIS HB2 H 1 2.869 0.02 . 2 . . . . . . . . 5602 1 882 . 1 1 85 85 HIS HB3 H 1 3.021 0.02 . 2 . . . . . . . . 5602 1 883 . 1 1 85 85 HIS C C 13 173.121 0.40 . 1 . . . . . . . . 5602 1 884 . 1 1 86 86 TYR N N 15 123.325 0.20 . 1 . . . . . . . . 5602 1 885 . 1 1 86 86 TYR H H 1 8.631 0.02 . 1 . . . . . . . . 5602 1 886 . 1 1 86 86 TYR CA C 13 56.804 0.40 . 1 . . . . . . . . 5602 1 887 . 1 1 86 86 TYR HA H 1 4.927 0.02 . 1 . . . . . . . . 5602 1 888 . 1 1 86 86 TYR CB C 13 40.449 0.40 . 1 . . . . . . . . 5602 1 889 . 1 1 86 86 TYR HB2 H 1 2.184 0.02 . 2 . . . . . . . . 5602 1 890 . 1 1 86 86 TYR HB3 H 1 2.904 0.02 . 2 . . . . . . . . 5602 1 891 . 1 1 86 86 TYR CE1 C 13 119.656 0.40 . 1 . . . . . . . . 5602 1 892 . 1 1 86 86 TYR HE1 H 1 6.806 0.02 . 1 . . . . . . . . 5602 1 893 . 1 1 86 86 TYR HE2 H 1 6.806 0.02 . 1 . . . . . . . . 5602 1 894 . 1 1 86 86 TYR CD1 C 13 131.783 0.40 . 1 . . . . . . . . 5602 1 895 . 1 1 86 86 TYR HD1 H 1 6.519 0.02 . 1 . . . . . . . . 5602 1 896 . 1 1 86 86 TYR HD2 H 1 6.519 0.02 . 1 . . . . . . . . 5602 1 897 . 1 1 86 86 TYR C C 13 175.096 0.40 . 1 . . . . . . . . 5602 1 898 . 1 1 87 87 PHE N N 15 122.685 0.20 . 1 . . . . . . . . 5602 1 899 . 1 1 87 87 PHE H H 1 9.135 0.02 . 1 . . . . . . . . 5602 1 900 . 1 1 87 87 PHE CA C 13 57.050 0.40 . 1 . . . . . . . . 5602 1 901 . 1 1 87 87 PHE HA H 1 5.349 0.02 . 1 . . . . . . . . 5602 1 902 . 1 1 87 87 PHE CB C 13 43.400 0.40 . 1 . . . . . . . . 5602 1 903 . 1 1 87 87 PHE HB2 H 1 2.824 0.02 . 2 . . . . . . . . 5602 1 904 . 1 1 87 87 PHE HB3 H 1 2.793 0.02 . 2 . . . . . . . . 5602 1 905 . 1 1 87 87 PHE CD1 C 13 132.516 0.40 . 1 . . . . . . . . 5602 1 906 . 1 1 87 87 PHE HD1 H 1 7.184 0.02 . 1 . . . . . . . . 5602 1 907 . 1 1 87 87 PHE HD2 H 1 7.184 0.02 . 1 . . . . . . . . 5602 1 908 . 1 1 87 87 PHE C C 13 176.028 0.40 . 1 . . . . . . . . 5602 1 909 . 1 1 88 88 ARG N N 15 126.826 0.20 . 1 . . . . . . . . 5602 1 910 . 1 1 88 88 ARG H H 1 8.738 0.02 . 1 . . . . . . . . 5602 1 911 . 1 1 88 88 ARG CA C 13 56.376 0.40 . 1 . . . . . . . . 5602 1 912 . 1 1 88 88 ARG HA H 1 4.959 0.02 . 1 . . . . . . . . 5602 1 913 . 1 1 88 88 ARG CB C 13 30.886 0.40 . 1 . . . . . . . . 5602 1 914 . 1 1 88 88 ARG HB2 H 1 1.892 0.02 . 2 . . . . . . . . 5602 1 915 . 1 1 88 88 ARG HG3 H 1 1.593 0.02 . 2 . . . . . . . . 5602 1 916 . 1 1 88 88 ARG CD C 13 42.573 0.40 . 1 . . . . . . . . 5602 1 917 . 1 1 88 88 ARG HD2 H 1 3.405 0.02 . 2 . . . . . . . . 5602 1 918 . 1 1 88 88 ARG HD3 H 1 3.588 0.02 . 2 . . . . . . . . 5602 1 919 . 1 1 88 88 ARG C C 13 176.003 0.40 . 1 . . . . . . . . 5602 1 920 . 1 1 89 89 CYS N N 15 125.546 0.20 . 1 . . . . . . . . 5602 1 921 . 1 1 89 89 CYS H H 1 8.959 0.02 . 1 . . . . . . . . 5602 1 922 . 1 1 89 89 CYS CA C 13 57.957 0.40 . 1 . . . . . . . . 5602 1 923 . 1 1 89 89 CYS HA H 1 5.402 0.02 . 1 . . . . . . . . 5602 1 924 . 1 1 89 89 CYS CB C 13 32.706 0.40 . 1 . . . . . . . . 5602 1 925 . 1 1 89 89 CYS HB2 H 1 2.324 0.02 . 2 . . . . . . . . 5602 1 926 . 1 1 89 89 CYS HB3 H 1 2.739 0.02 . 2 . . . . . . . . 5602 1 927 . 1 1 89 89 CYS C C 13 172.790 0.40 . 1 . . . . . . . . 5602 1 928 . 1 1 90 90 ARG N N 15 123.501 0.20 . 1 . . . . . . . . 5602 1 929 . 1 1 90 90 ARG H H 1 8.339 0.02 . 1 . . . . . . . . 5602 1 930 . 1 1 90 90 ARG CA C 13 54.435 0.40 . 1 . . . . . . . . 5602 1 931 . 1 1 90 90 ARG HA H 1 4.926 0.02 . 1 . . . . . . . . 5602 1 932 . 1 1 90 90 ARG CB C 13 34.114 0.40 . 1 . . . . . . . . 5602 1 933 . 1 1 90 90 ARG HB2 H 1 1.722 0.02 . 2 . . . . . . . . 5602 1 934 . 1 1 90 90 ARG HB3 H 1 1.835 0.02 . 2 . . . . . . . . 5602 1 935 . 1 1 90 90 ARG CG C 13 28.155 0.40 . 1 . . . . . . . . 5602 1 936 . 1 1 90 90 ARG HG2 H 1 1.635 0.02 . 2 . . . . . . . . 5602 1 937 . 1 1 90 90 ARG HG3 H 1 1.587 0.02 . 2 . . . . . . . . 5602 1 938 . 1 1 90 90 ARG HD2 H 1 3.199 0.02 . 1 . . . . . . . . 5602 1 939 . 1 1 90 90 ARG HD3 H 1 3.199 0.02 . 1 . . . . . . . . 5602 1 940 . 1 1 90 90 ARG C C 13 175.560 0.40 . 1 . . . . . . . . 5602 1 941 . 1 1 91 91 VAL N N 15 127.679 0.20 . 1 . . . . . . . . 5602 1 942 . 1 1 91 91 VAL H H 1 9.236 0.02 . 1 . . . . . . . . 5602 1 943 . 1 1 91 91 VAL CA C 13 65.144 0.40 . 1 . . . . . . . . 5602 1 944 . 1 1 91 91 VAL HA H 1 3.741 0.02 . 1 . . . . . . . . 5602 1 945 . 1 1 91 91 VAL CB C 13 32.815 0.40 . 1 . . . . . . . . 5602 1 946 . 1 1 91 91 VAL HB H 1 2.077 0.02 . 1 . . . . . . . . 5602 1 947 . 1 1 91 91 VAL CG2 C 13 22.129 0.40 . 2 . . . . . . . . 5602 1 948 . 1 1 91 91 VAL HG21 H 1 0.904 0.02 . 2 . . . . . . . . 5602 1 949 . 1 1 91 91 VAL HG22 H 1 0.904 0.02 . 2 . . . . . . . . 5602 1 950 . 1 1 91 91 VAL HG23 H 1 0.904 0.02 . 2 . . . . . . . . 5602 1 951 . 1 1 91 91 VAL CG1 C 13 23.407 0.40 . 2 . . . . . . . . 5602 1 952 . 1 1 91 91 VAL HG11 H 1 1.049 0.02 . 2 . . . . . . . . 5602 1 953 . 1 1 91 91 VAL HG12 H 1 1.049 0.02 . 2 . . . . . . . . 5602 1 954 . 1 1 91 91 VAL HG13 H 1 1.049 0.02 . 2 . . . . . . . . 5602 1 955 . 1 1 91 91 VAL C C 13 176.018 0.40 . 1 . . . . . . . . 5602 1 956 . 1 1 92 92 VAL N N 15 128.959 0.20 . 1 . . . . . . . . 5602 1 957 . 1 1 92 92 VAL H H 1 8.972 0.02 . 1 . . . . . . . . 5602 1 958 . 1 1 92 92 VAL CA C 13 63.475 0.40 . 1 . . . . . . . . 5602 1 959 . 1 1 92 92 VAL HA H 1 4.153 0.02 . 1 . . . . . . . . 5602 1 960 . 1 1 92 92 VAL CB C 13 33.748 0.40 . 1 . . . . . . . . 5602 1 961 . 1 1 92 92 VAL HB H 1 1.809 0.02 . 1 . . . . . . . . 5602 1 962 . 1 1 92 92 VAL CG2 C 13 20.851 0.40 . 1 . . . . . . . . 5602 1 963 . 1 1 92 92 VAL HG21 H 1 0.816 0.02 . 1 . . . . . . . . 5602 1 964 . 1 1 92 92 VAL HG22 H 1 0.816 0.02 . 1 . . . . . . . . 5602 1 965 . 1 1 92 92 VAL HG23 H 1 0.816 0.02 . 1 . . . . . . . . 5602 1 966 . 1 1 92 92 VAL CG1 C 13 22.555 0.40 . 1 . . . . . . . . 5602 1 967 . 1 1 92 92 VAL HG11 H 1 0.849 0.02 . 1 . . . . . . . . 5602 1 968 . 1 1 92 92 VAL HG12 H 1 0.849 0.02 . 1 . . . . . . . . 5602 1 969 . 1 1 92 92 VAL HG13 H 1 0.849 0.02 . 1 . . . . . . . . 5602 1 970 . 1 1 92 92 VAL C C 13 175.832 0.40 . 1 . . . . . . . . 5602 1 971 . 1 1 93 93 SER N N 15 115.307 0.20 . 1 . . . . . . . . 5602 1 972 . 1 1 93 93 SER H H 1 7.886 0.02 . 1 . . . . . . . . 5602 1 973 . 1 1 93 93 SER CA C 13 58.332 0.40 . 1 . . . . . . . . 5602 1 974 . 1 1 93 93 SER HA H 1 4.546 0.02 . 1 . . . . . . . . 5602 1 975 . 1 1 93 93 SER CB C 13 64.777 0.40 . 1 . . . . . . . . 5602 1 976 . 1 1 93 93 SER HB2 H 1 3.813 0.02 . 2 . . . . . . . . 5602 1 977 . 1 1 93 93 SER HB3 H 1 3.874 0.02 . 2 . . . . . . . . 5602 1 978 . 1 1 93 93 SER C C 13 172.387 0.40 . 1 . . . . . . . . 5602 1 979 . 1 1 94 94 GLY N N 15 110.614 0.20 . 1 . . . . . . . . 5602 1 980 . 1 1 94 94 GLY H H 1 8.263 0.02 . 1 . . . . . . . . 5602 1 981 . 1 1 94 94 GLY CA C 13 44.450 0.40 . 1 . . . . . . . . 5602 1 982 . 1 1 94 94 GLY HA3 H 1 4.738 0.02 . 2 . . . . . . . . 5602 1 983 . 1 1 94 94 GLY HA2 H 1 3.753 0.02 . 2 . . . . . . . . 5602 1 984 . 1 1 94 94 GLY C C 13 172.781 0.40 . 1 . . . . . . . . 5602 1 985 . 1 1 95 95 GLU N N 15 122.656 0.20 . 1 . . . . . . . . 5602 1 986 . 1 1 95 95 GLU H H 1 7.754 0.02 . 1 . . . . . . . . 5602 1 987 . 1 1 95 95 GLU CA C 13 54.879 0.40 . 1 . . . . . . . . 5602 1 988 . 1 1 95 95 GLU HA H 1 4.423 0.02 . 1 . . . . . . . . 5602 1 989 . 1 1 95 95 GLU CB C 13 31.639 0.40 . 1 . . . . . . . . 5602 1 990 . 1 1 95 95 GLU HB2 H 1 1.830 0.02 . 2 . . . . . . . . 5602 1 991 . 1 1 95 95 GLU HB3 H 1 1.918 0.02 . 2 . . . . . . . . 5602 1 992 . 1 1 95 95 GLU CG C 13 36.218 0.40 . 1 . . . . . . . . 5602 1 993 . 1 1 95 95 GLU HG2 H 1 1.918 0.02 . 2 . . . . . . . . 5602 1 994 . 1 1 95 95 GLU HG3 H 1 2.169 0.02 . 2 . . . . . . . . 5602 1 995 . 1 1 95 95 GLU C C 13 174.846 0.40 . 1 . . . . . . . . 5602 1 996 . 1 1 96 96 MET N N 15 127.679 0.20 . 1 . . . . . . . . 5602 1 997 . 1 1 96 96 MET H H 1 8.534 0.02 . 1 . . . . . . . . 5602 1 998 . 1 1 96 96 MET CA C 13 57.182 0.40 . 1 . . . . . . . . 5602 1 999 . 1 1 96 96 MET HA H 1 4.347 0.02 . 1 . . . . . . . . 5602 1 1000 . 1 1 96 96 MET CB C 13 33.081 0.40 . 1 . . . . . . . . 5602 1 1001 . 1 1 96 96 MET HB2 H 1 1.962 0.02 . 2 . . . . . . . . 5602 1 1002 . 1 1 96 96 MET HB3 H 1 2.165 0.02 . 2 . . . . . . . . 5602 1 1003 . 1 1 96 96 MET CG C 13 32.352 0.40 . 1 . . . . . . . . 5602 1 1004 . 1 1 96 96 MET HG2 H 1 2.354 0.02 . 2 . . . . . . . . 5602 1 1005 . 1 1 96 96 MET HG3 H 1 2.401 0.02 . 2 . . . . . . . . 5602 1 1006 . 1 1 96 96 MET C C 13 176.264 0.40 . 1 . . . . . . . . 5602 1 1007 . 1 1 97 97 ARG N N 15 127.253 0.20 . 1 . . . . . . . . 5602 1 1008 . 1 1 97 97 ARG H H 1 8.043 0.02 . 1 . . . . . . . . 5602 1 1009 . 1 1 97 97 ARG CA C 13 56.187 0.40 . 1 . . . . . . . . 5602 1 1010 . 1 1 97 97 ARG HA H 1 4.231 0.02 . 1 . . . . . . . . 5602 1 1011 . 1 1 97 97 ARG CB C 13 31.144 0.40 . 1 . . . . . . . . 5602 1 1012 . 1 1 97 97 ARG HB2 H 1 1.617 0.02 . 2 . . . . . . . . 5602 1 1013 . 1 1 97 97 ARG HB3 H 1 1.890 0.02 . 2 . . . . . . . . 5602 1 1014 . 1 1 97 97 ARG CG C 13 26.938 0.40 . 1 . . . . . . . . 5602 1 1015 . 1 1 97 97 ARG HG2 H 1 1.547 0.02 . 1 . . . . . . . . 5602 1 1016 . 1 1 97 97 ARG HG3 H 1 1.547 0.02 . 1 . . . . . . . . 5602 1 1017 . 1 1 97 97 ARG CD C 13 43.852 0.40 . 1 . . . . . . . . 5602 1 1018 . 1 1 97 97 ARG HD2 H 1 3.073 0.02 . 2 . . . . . . . . 5602 1 1019 . 1 1 97 97 ARG HD3 H 1 3.148 0.02 . 2 . . . . . . . . 5602 1 1020 . 1 1 97 97 ARG C C 13 174.516 0.40 . 1 . . . . . . . . 5602 1 1021 . 1 1 98 98 LEU N N 15 125.120 0.20 . 1 . . . . . . . . 5602 1 1022 . 1 1 98 98 LEU H H 1 8.299 0.02 . 1 . . . . . . . . 5602 1 1023 . 1 1 98 98 LEU CA C 13 55.324 0.40 . 1 . . . . . . . . 5602 1 1024 . 1 1 98 98 LEU HA H 1 4.324 0.02 . 1 . . . . . . . . 5602 1 1025 . 1 1 98 98 LEU CB C 13 42.854 0.40 . 1 . . . . . . . . 5602 1 1026 . 1 1 98 98 LEU HB2 H 1 1.564 0.02 . 1 . . . . . . . . 5602 1 1027 . 1 1 98 98 LEU HB3 H 1 1.564 0.02 . 1 . . . . . . . . 5602 1 1028 . 1 1 98 98 LEU CG C 13 27.098 0.40 . 1 . . . . . . . . 5602 1 1029 . 1 1 98 98 LEU CD1 C 13 24.688 0.40 . 2 . . . . . . . . 5602 1 1030 . 1 1 98 98 LEU HD11 H 1 0.860 0.02 . 2 . . . . . . . . 5602 1 1031 . 1 1 98 98 LEU HD12 H 1 0.860 0.02 . 2 . . . . . . . . 5602 1 1032 . 1 1 98 98 LEU HD13 H 1 0.860 0.02 . 2 . . . . . . . . 5602 1 1033 . 1 1 98 98 LEU CD2 C 13 23.407 0.40 . 2 . . . . . . . . 5602 1 1034 . 1 1 98 98 LEU HD21 H 1 0.798 0.02 . 2 . . . . . . . . 5602 1 1035 . 1 1 98 98 LEU HD22 H 1 0.798 0.02 . 2 . . . . . . . . 5602 1 1036 . 1 1 98 98 LEU HD23 H 1 0.798 0.02 . 2 . . . . . . . . 5602 1 1037 . 1 1 98 98 LEU C C 13 178.037 0.40 . 1 . . . . . . . . 5602 1 1038 . 1 1 99 99 GLY N N 15 112.885 0.20 . 1 . . . . . . . . 5602 1 1039 . 1 1 99 99 GLY H H 1 8.176 0.02 . 1 . . . . . . . . 5602 1 1040 . 1 1 99 99 GLY CA C 13 45.218 0.40 . 1 . . . . . . . . 5602 1 1041 . 1 1 99 99 GLY HA2 H 1 3.872 0.02 . 1 . . . . . . . . 5602 1 1042 . 1 1 99 99 GLY HA3 H 1 3.872 0.02 . 1 . . . . . . . . 5602 1 1043 . 1 1 99 99 GLY C C 13 173.446 0.40 . 1 . . . . . . . . 5602 1 1044 . 1 1 100 100 ASP N N 15 122.541 0.20 . 1 . . . . . . . . 5602 1 1045 . 1 1 100 100 ASP H H 1 8.356 0.02 . 1 . . . . . . . . 5602 1 1046 . 1 1 100 100 ASP CA C 13 54.631 0.40 . 1 . . . . . . . . 5602 1 1047 . 1 1 100 100 ASP HA H 1 4.614 0.02 . 1 . . . . . . . . 5602 1 1048 . 1 1 100 100 ASP CB C 13 41.810 0.40 . 1 . . . . . . . . 5602 1 1049 . 1 1 100 100 ASP HB2 H 1 2.565 0.02 . 2 . . . . . . . . 5602 1 1050 . 1 1 100 100 ASP HB3 H 1 2.677 0.02 . 2 . . . . . . . . 5602 1 1051 . 1 1 100 100 ASP C C 13 176.605 0.40 . 1 . . . . . . . . 5602 1 1052 . 1 1 101 101 GLY N N 15 110.614 0.20 . 1 . . . . . . . . 5602 1 1053 . 1 1 101 101 GLY H H 1 8.254 0.02 . 1 . . . . . . . . 5602 1 1054 . 1 1 101 101 GLY CA C 13 45.068 0.40 . 1 . . . . . . . . 5602 1 1055 . 1 1 101 101 GLY HA3 H 1 3.998 0.02 . 2 . . . . . . . . 5602 1 1056 . 1 1 101 101 GLY HA2 H 1 4.706 0.02 . 2 . . . . . . . . 5602 1 1057 . 1 1 102 102 PRO CA C 13 63.884 0.40 . 1 . . . . . . . . 5602 1 1058 . 1 1 102 102 PRO HA H 1 4.281 0.02 . 1 . . . . . . . . 5602 1 1059 . 1 1 102 102 PRO CB C 13 32.391 0.40 . 1 . . . . . . . . 5602 1 1060 . 1 1 102 102 PRO HB2 H 1 1.824 0.02 . 2 . . . . . . . . 5602 1 1061 . 1 1 102 102 PRO HB3 H 1 2.164 0.02 . 2 . . . . . . . . 5602 1 1062 . 1 1 102 102 PRO CG C 13 27.655 0.40 . 1 . . . . . . . . 5602 1 1063 . 1 1 102 102 PRO HG2 H 1 1.907 0.02 . 1 . . . . . . . . 5602 1 1064 . 1 1 102 102 PRO HG3 H 1 1.907 0.02 . 1 . . . . . . . . 5602 1 1065 . 1 1 102 102 PRO HD2 H 1 3.623 0.02 . 2 . . . . . . . . 5602 1 1066 . 1 1 102 102 PRO HD3 H 1 3.792 0.02 . 2 . . . . . . . . 5602 1 1067 . 1 1 102 102 PRO C C 13 177.578 0.40 . 1 . . . . . . . . 5602 1 1068 . 1 1 103 103 GLU N N 15 121.705 0.20 . 1 . . . . . . . . 5602 1 1069 . 1 1 103 103 GLU H H 1 8.481 0.02 . 1 . . . . . . . . 5602 1 1070 . 1 1 103 103 GLU CA C 13 57.396 0.40 . 1 . . . . . . . . 5602 1 1071 . 1 1 103 103 GLU HA H 1 4.108 0.02 . 1 . . . . . . . . 5602 1 1072 . 1 1 103 103 GLU CB C 13 29.736 0.40 . 1 . . . . . . . . 5602 1 1073 . 1 1 103 103 GLU HB2 H 1 1.926 0.02 . 2 . . . . . . . . 5602 1 1074 . 1 1 103 103 GLU HB3 H 1 2.040 0.02 . 2 . . . . . . . . 5602 1 1075 . 1 1 103 103 GLU CG C 13 36.529 0.40 . 1 . . . . . . . . 5602 1 1076 . 1 1 103 103 GLU HG2 H 1 2.234 0.02 . 2 . . . . . . . . 5602 1 1077 . 1 1 103 103 GLU HG3 H 1 2.126 0.02 . 2 . . . . . . . . 5602 1 1078 . 1 1 103 103 GLU C C 13 177.106 0.40 . 1 . . . . . . . . 5602 1 1079 . 1 1 104 104 GLY N N 15 110.765 0.20 . 1 . . . . . . . . 5602 1 1080 . 1 1 104 104 GLY H H 1 8.069 0.02 . 1 . . . . . . . . 5602 1 1081 . 1 1 104 104 GLY CA C 13 45.672 0.40 . 1 . . . . . . . . 5602 1 1082 . 1 1 104 104 GLY HA3 H 1 3.824 0.02 . 2 . . . . . . . . 5602 1 1083 . 1 1 104 104 GLY HA2 H 1 3.915 0.02 . 2 . . . . . . . . 5602 1 1084 . 1 1 104 104 GLY C C 13 174.139 0.40 . 1 . . . . . . . . 5602 1 1085 . 1 1 105 105 ILE N N 15 122.986 0.20 . 1 . . . . . . . . 5602 1 1086 . 1 1 105 105 ILE H H 1 7.860 0.02 . 1 . . . . . . . . 5602 1 1087 . 1 1 105 105 ILE CA C 13 61.224 0.40 . 1 . . . . . . . . 5602 1 1088 . 1 1 105 105 ILE HA H 1 4.041 0.02 . 1 . . . . . . . . 5602 1 1089 . 1 1 105 105 ILE CB C 13 38.853 0.40 . 1 . . . . . . . . 5602 1 1090 . 1 1 105 105 ILE HB H 1 1.660 0.02 . 1 . . . . . . . . 5602 1 1091 . 1 1 105 105 ILE HG12 H 1 0.722 0.02 . 2 . . . . . . . . 5602 1 1092 . 1 1 105 105 ILE HG13 H 1 0.769 0.02 . 2 . . . . . . . . 5602 1 1093 . 1 1 105 105 ILE HD11 H 1 1.051 0.02 . 1 . . . . . . . . 5602 1 1094 . 1 1 105 105 ILE HD12 H 1 1.051 0.02 . 1 . . . . . . . . 5602 1 1095 . 1 1 105 105 ILE HD13 H 1 1.051 0.02 . 1 . . . . . . . . 5602 1 1096 . 1 1 105 105 ILE CG2 C 13 19.147 0.40 . 2 . . . . . . . . 5602 1 1097 . 1 1 105 105 ILE HG21 H 1 1.344 0.02 . 1 . . . . . . . . 5602 1 1098 . 1 1 105 105 ILE HG22 H 1 1.344 0.02 . 1 . . . . . . . . 5602 1 1099 . 1 1 105 105 ILE HG23 H 1 1.344 0.02 . 1 . . . . . . . . 5602 1 1100 . 1 1 105 105 ILE C C 13 176.002 0.40 . 1 . . . . . . . . 5602 1 1101 . 1 1 106 106 ARG N N 15 127.526 0.20 . 1 . . . . . . . . 5602 1 1102 . 1 1 106 106 ARG H H 1 8.304 0.02 . 1 . . . . . . . . 5602 1 1103 . 1 1 106 106 ARG CA C 13 56.217 0.40 . 1 . . . . . . . . 5602 1 1104 . 1 1 106 106 ARG HA H 1 4.237 0.02 . 1 . . . . . . . . 5602 1 1105 . 1 1 106 106 ARG CB C 13 30.388 0.40 . 1 . . . . . . . . 5602 1 1106 . 1 1 106 106 ARG HB2 H 1 1.697 0.02 . 1 . . . . . . . . 5602 1 1107 . 1 1 106 106 ARG HB3 H 1 1.697 0.02 . 1 . . . . . . . . 5602 1 1108 . 1 1 106 106 ARG HG2 H 1 1.396 0.02 . 2 . . . . . . . . 5602 1 1109 . 1 1 106 106 ARG HG3 H 1 1.493 0.02 . 2 . . . . . . . . 5602 1 1110 . 1 1 106 106 ARG CD C 13 43.426 0.40 . 1 . . . . . . . . 5602 1 1111 . 1 1 106 106 ARG HD2 H 1 2.983 0.02 . 2 . . . . . . . . 5602 1 1112 . 1 1 106 106 ARG HD3 H 1 3.128 0.02 . 2 . . . . . . . . 5602 1 1113 . 1 1 106 106 ARG C C 13 176.214 0.40 . 1 . . . . . . . . 5602 1 1114 . 1 1 107 107 GLN N N 15 125.120 0.20 . 1 . . . . . . . . 5602 1 1115 . 1 1 107 107 GLN H H 1 8.335 0.02 . 1 . . . . . . . . 5602 1 1116 . 1 1 107 107 GLN CA C 13 56.617 0.40 . 1 . . . . . . . . 5602 1 1117 . 1 1 107 107 GLN HA H 1 4.218 0.02 . 1 . . . . . . . . 5602 1 1118 . 1 1 107 107 GLN CB C 13 29.836 0.40 . 1 . . . . . . . . 5602 1 1119 . 1 1 107 107 GLN HB2 H 1 1.849 0.02 . 2 . . . . . . . . 5602 1 1120 . 1 1 107 107 GLN HB3 H 1 2.022 0.02 . 2 . . . . . . . . 5602 1 1121 . 1 1 107 107 GLN CG C 13 33.629 0.40 . 1 . . . . . . . . 5602 1 1122 . 1 1 107 107 GLN HG2 H 1 2.202 0.02 . 1 . . . . . . . . 5602 1 1123 . 1 1 107 107 GLN HG3 H 1 2.202 0.02 . 1 . . . . . . . . 5602 1 1124 . 1 1 107 107 GLN C C 13 175.910 0.40 . 1 . . . . . . . . 5602 1 1125 . 1 1 108 108 SER N N 15 117.278 0.20 . 1 . . . . . . . . 5602 1 1126 . 1 1 108 108 SER H H 1 8.182 0.02 . 1 . . . . . . . . 5602 1 1127 . 1 1 108 108 SER CA C 13 58.127 0.40 . 1 . . . . . . . . 5602 1 1128 . 1 1 108 108 SER HA H 1 4.428 0.02 . 1 . . . . . . . . 5602 1 1129 . 1 1 108 108 SER CB C 13 64.911 0.40 . 1 . . . . . . . . 5602 1 1130 . 1 1 108 108 SER HB2 H 1 3.836 0.02 . 2 . . . . . . . . 5602 1 1131 . 1 1 108 108 SER HB3 H 1 3.977 0.02 . 2 . . . . . . . . 5602 1 1132 . 1 1 108 108 SER C C 13 174.775 0.40 . 1 . . . . . . . . 5602 1 1133 . 1 1 109 109 GLU N N 15 123.840 0.20 . 1 . . . . . . . . 5602 1 1134 . 1 1 109 109 GLU H H 1 8.586 0.02 . 1 . . . . . . . . 5602 1 1135 . 1 1 109 109 GLU CA C 13 58.333 0.40 . 1 . . . . . . . . 5602 1 1136 . 1 1 109 109 GLU HA H 1 4.123 0.02 . 1 . . . . . . . . 5602 1 1137 . 1 1 109 109 GLU CB C 13 29.918 0.40 . 1 . . . . . . . . 5602 1 1138 . 1 1 109 109 GLU HB2 H 1 2.006 0.02 . 1 . . . . . . . . 5602 1 1139 . 1 1 109 109 GLU HB3 H 1 2.006 0.02 . 1 . . . . . . . . 5602 1 1140 . 1 1 109 109 GLU CG C 13 36.714 0.40 . 1 . . . . . . . . 5602 1 1141 . 1 1 109 109 GLU C C 13 176.859 0.40 . 1 . . . . . . . . 5602 1 1142 . 1 1 110 110 ASP N N 15 120.406 0.20 . 1 . . . . . . . . 5602 1 1143 . 1 1 110 110 ASP H H 1 8.300 0.02 . 1 . . . . . . . . 5602 1 1144 . 1 1 110 110 ASP CA C 13 55.027 0.40 . 1 . . . . . . . . 5602 1 1145 . 1 1 110 110 ASP HA H 1 4.629 0.02 . 1 . . . . . . . . 5602 1 1146 . 1 1 110 110 ASP CB C 13 41.501 0.40 . 1 . . . . . . . . 5602 1 1147 . 1 1 110 110 ASP HB2 H 1 2.666 0.02 . 2 . . . . . . . . 5602 1 1148 . 1 1 110 110 ASP HB3 H 1 2.576 0.02 . 2 . . . . . . . . 5602 1 1149 . 1 1 110 110 ASP C C 13 175.840 0.40 . 1 . . . . . . . . 5602 1 1150 . 1 1 111 111 ASN N N 15 120.270 0.20 . 1 . . . . . . . . 5602 1 1151 . 1 1 111 111 ASN H H 1 7.895 0.02 . 1 . . . . . . . . 5602 1 1152 . 1 1 111 111 ASN CA C 13 53.101 0.40 . 1 . . . . . . . . 5602 1 1153 . 1 1 111 111 ASN HA H 1 5.039 0.02 . 1 . . . . . . . . 5602 1 1154 . 1 1 111 111 ASN CB C 13 39.421 0.40 . 1 . . . . . . . . 5602 1 1155 . 1 1 111 111 ASN HB2 H 1 2.709 0.02 . 2 . . . . . . . . 5602 1 1156 . 1 1 111 111 ASN HB3 H 1 2.874 0.02 . 2 . . . . . . . . 5602 1 1157 . 1 1 111 111 ASN C C 13 173.630 0.40 . 1 . . . . . . . . 5602 1 1158 . 1 1 112 112 TRP N N 15 124.693 0.20 . 1 . . . . . . . . 5602 1 1159 . 1 1 112 112 TRP H H 1 8.223 0.02 . 1 . . . . . . . . 5602 1 1160 . 1 1 112 112 TRP CA C 13 57.610 0.40 . 1 . . . . . . . . 5602 1 1161 . 1 1 112 112 TRP HA H 1 4.854 0.02 . 1 . . . . . . . . 5602 1 1162 . 1 1 112 112 TRP HB2 H 1 3.180 0.02 . 2 . . . . . . . . 5602 1 1163 . 1 1 112 112 TRP HB3 H 1 3.214 0.02 . 2 . . . . . . . . 5602 1 1164 . 1 1 112 112 TRP CD1 C 13 127.380 0.40 . 1 . . . . . . . . 5602 1 1165 . 1 1 112 112 TRP HD1 H 1 7.076 0.02 . 1 . . . . . . . . 5602 1 1166 . 1 1 112 112 TRP NE1 N 15 132.217 0.20 . 1 . . . . . . . . 5602 1 1167 . 1 1 112 112 TRP HE1 H 1 9.996 0.02 . 1 . . . . . . . . 5602 1 1168 . 1 1 112 112 TRP CZ2 C 13 114.431 0.40 . 1 . . . . . . . . 5602 1 1169 . 1 1 112 112 TRP HZ2 H 1 7.238 0.02 . 1 . . . . . . . . 5602 1 1170 . 1 1 112 112 TRP CH2 C 13 121.704 0.40 . 1 . . . . . . . . 5602 1 1171 . 1 1 112 112 TRP HH2 H 1 6.754 0.02 . 1 . . . . . . . . 5602 1 1172 . 1 1 113 113 TYR N N 15 124.390 0.20 . 1 . . . . . . . . 5602 1 1173 . 1 1 113 113 TYR H H 1 7.704 0.02 . 1 . . . . . . . . 5602 1 1174 . 1 1 113 113 TYR CA C 13 56.352 0.40 . 1 . . . . . . . . 5602 1 1175 . 1 1 113 113 TYR HA H 1 5.065 0.02 . 1 . . . . . . . . 5602 1 1176 . 1 1 113 113 TYR CB C 13 41.427 0.40 . 1 . . . . . . . . 5602 1 1177 . 1 1 113 113 TYR HB2 H 1 2.852 0.02 . 2 . . . . . . . . 5602 1 1178 . 1 1 113 113 TYR HB3 H 1 2.417 0.02 . 2 . . . . . . . . 5602 1 1179 . 1 1 113 113 TYR CD1 C 13 133.291 0.40 . 1 . . . . . . . . 5602 1 1180 . 1 1 113 113 TYR HD1 H 1 6.697 0.02 . 1 . . . . . . . . 5602 1 1181 . 1 1 113 113 TYR HD2 H 1 6.697 0.02 . 1 . . . . . . . . 5602 1 1182 . 1 1 114 114 GLN N N 15 121.812 0.20 . 1 . . . . . . . . 5602 1 1183 . 1 1 114 114 GLN H H 1 8.399 0.02 . 1 . . . . . . . . 5602 1 1184 . 1 1 114 114 GLN CA C 13 52.456 0.40 . 1 . . . . . . . . 5602 1 1185 . 1 1 114 114 GLN HA H 1 4.883 0.02 . 1 . . . . . . . . 5602 1 1186 . 1 1 115 115 PRO CA C 13 61.762 0.40 . 1 . . . . . . . . 5602 1 1187 . 1 1 115 115 PRO HA H 1 5.347 0.02 . 1 . . . . . . . . 5602 1 1188 . 1 1 115 115 PRO CB C 13 32.915 0.40 . 1 . . . . . . . . 5602 1 1189 . 1 1 115 115 PRO HB2 H 1 1.832 0.02 . 2 . . . . . . . . 5602 1 1190 . 1 1 115 115 PRO HB3 H 1 1.967 0.02 . 2 . . . . . . . . 5602 1 1191 . 1 1 115 115 PRO CG C 13 27.681 0.40 . 1 . . . . . . . . 5602 1 1192 . 1 1 115 115 PRO HG2 H 1 2.133 0.02 . 2 . . . . . . . . 5602 1 1193 . 1 1 115 115 PRO HG3 H 1 2.268 0.02 . 2 . . . . . . . . 5602 1 1194 . 1 1 115 115 PRO HD2 H 1 3.580 0.02 . 2 . . . . . . . . 5602 1 1195 . 1 1 115 115 PRO HD3 H 1 3.726 0.02 . 2 . . . . . . . . 5602 1 1196 . 1 1 115 115 PRO C C 13 176.263 0.40 . 1 . . . . . . . . 5602 1 1197 . 1 1 116 116 GLU N N 15 124.703 0.20 . 1 . . . . . . . . 5602 1 1198 . 1 1 116 116 GLU H H 1 9.087 0.02 . 1 . . . . . . . . 5602 1 1199 . 1 1 116 116 GLU CA C 13 56.128 0.40 . 1 . . . . . . . . 5602 1 1200 . 1 1 116 116 GLU HA H 1 4.273 0.02 . 1 . . . . . . . . 5602 1 1201 . 1 1 116 116 GLU CB C 13 35.301 0.40 . 1 . . . . . . . . 5602 1 1202 . 1 1 116 116 GLU HB2 H 1 1.636 0.02 . 2 . . . . . . . . 5602 1 1203 . 1 1 116 116 GLU HB3 H 1 1.732 0.02 . 2 . . . . . . . . 5602 1 1204 . 1 1 116 116 GLU CG C 13 37.172 0.40 . 1 . . . . . . . . 5602 1 1205 . 1 1 116 116 GLU HG2 H 1 2.050 0.02 . 2 . . . . . . . . 5602 1 1206 . 1 1 116 116 GLU HG3 H 1 2.189 0.02 . 2 . . . . . . . . 5602 1 1207 . 1 1 116 116 GLU C C 13 174.229 0.40 . 1 . . . . . . . . 5602 1 1208 . 1 1 117 117 TRP N N 15 127.679 0.20 . 1 . . . . . . . . 5602 1 1209 . 1 1 117 117 TRP H H 1 8.497 0.02 . 1 . . . . . . . . 5602 1 1210 . 1 1 117 117 TRP CA C 13 55.967 0.40 . 1 . . . . . . . . 5602 1 1211 . 1 1 117 117 TRP HA H 1 4.730 0.02 . 1 . . . . . . . . 5602 1 1212 . 1 1 117 117 TRP CB C 13 28.749 0.40 . 1 . . . . . . . . 5602 1 1213 . 1 1 117 117 TRP HB2 H 1 2.565 0.02 . 2 . . . . . . . . 5602 1 1214 . 1 1 117 117 TRP HB3 H 1 2.905 0.02 . 2 . . . . . . . . 5602 1 1215 . 1 1 117 117 TRP CD1 C 13 127.828 0.40 . 1 . . . . . . . . 5602 1 1216 . 1 1 117 117 TRP HD1 H 1 7.189 0.02 . 1 . . . . . . . . 5602 1 1217 . 1 1 117 117 TRP NE1 N 15 130.691 0.20 . 1 . . . . . . . . 5602 1 1218 . 1 1 117 117 TRP HE1 H 1 9.966 0.02 . 1 . . . . . . . . 5602 1 1219 . 1 1 117 117 TRP CZ2 C 13 114.345 0.40 . 1 . . . . . . . . 5602 1 1220 . 1 1 117 117 TRP HZ2 H 1 7.281 0.02 . 1 . . . . . . . . 5602 1 1221 . 1 1 117 117 TRP CH2 C 13 123.080 0.40 . 1 . . . . . . . . 5602 1 1222 . 1 1 117 117 TRP HH2 H 1 6.703 0.02 . 1 . . . . . . . . 5602 1 1223 . 1 1 117 117 TRP CZ3 C 13 117.999 0.40 . 1 . . . . . . . . 5602 1 1224 . 1 1 117 117 TRP HZ3 H 1 6.609 0.02 . 1 . . . . . . . . 5602 1 1225 . 1 1 117 117 TRP C C 13 176.364 0.40 . 1 . . . . . . . . 5602 1 1226 . 1 1 118 118 VAL N N 15 131.270 0.20 . 1 . . . . . . . . 5602 1 1227 . 1 1 118 118 VAL H H 1 9.497 0.02 . 1 . . . . . . . . 5602 1 1228 . 1 1 118 118 VAL CA C 13 62.212 0.40 . 1 . . . . . . . . 5602 1 1229 . 1 1 118 118 VAL HA H 1 4.154 0.02 . 1 . . . . . . . . 5602 1 1230 . 1 1 118 118 VAL CB C 13 34.960 0.40 . 1 . . . . . . . . 5602 1 1231 . 1 1 118 118 VAL HB H 1 1.797 0.02 . 1 . . . . . . . . 5602 1 1232 . 1 1 118 118 VAL HG21 H 1 0.878 0.02 . 2 . . . . . . . . 5602 1 1233 . 1 1 118 118 VAL HG22 H 1 0.878 0.02 . 2 . . . . . . . . 5602 1 1234 . 1 1 118 118 VAL HG23 H 1 0.878 0.02 . 2 . . . . . . . . 5602 1 1235 . 1 1 118 118 VAL CG1 C 13 21.703 0.40 . 2 . . . . . . . . 5602 1 1236 . 1 1 118 118 VAL HG11 H 1 0.948 0.02 . 2 . . . . . . . . 5602 1 1237 . 1 1 118 118 VAL HG12 H 1 0.948 0.02 . 2 . . . . . . . . 5602 1 1238 . 1 1 118 118 VAL HG13 H 1 0.948 0.02 . 2 . . . . . . . . 5602 1 1239 . 1 1 118 118 VAL C C 13 174.916 0.40 . 1 . . . . . . . . 5602 1 1240 . 1 1 119 119 ALA N N 15 131.946 0.20 . 1 . . . . . . . . 5602 1 1241 . 1 1 119 119 ALA H H 1 8.693 0.02 . 1 . . . . . . . . 5602 1 1242 . 1 1 119 119 ALA CA C 13 52.538 0.40 . 1 . . . . . . . . 5602 1 1243 . 1 1 119 119 ALA HA H 1 4.425 0.02 . 1 . . . . . . . . 5602 1 1244 . 1 1 119 119 ALA CB C 13 19.426 0.40 . 1 . . . . . . . . 5602 1 1245 . 1 1 119 119 ALA HB1 H 1 1.429 0.02 . 1 . . . . . . . . 5602 1 1246 . 1 1 119 119 ALA HB2 H 1 1.429 0.02 . 1 . . . . . . . . 5602 1 1247 . 1 1 119 119 ALA HB3 H 1 1.429 0.02 . 1 . . . . . . . . 5602 1 1248 . 1 1 119 119 ALA C C 13 178.951 0.40 . 1 . . . . . . . . 5602 1 1249 . 1 1 120 120 LEU N N 15 122.560 0.20 . 1 . . . . . . . . 5602 1 1250 . 1 1 120 120 LEU H H 1 8.689 0.02 . 1 . . . . . . . . 5602 1 1251 . 1 1 120 120 LEU CA C 13 57.992 0.40 . 1 . . . . . . . . 5602 1 1252 . 1 1 120 120 LEU HA H 1 3.862 0.02 . 1 . . . . . . . . 5602 1 1253 . 1 1 120 120 LEU CB C 13 41.109 0.40 . 1 . . . . . . . . 5602 1 1254 . 1 1 120 120 LEU HB2 H 1 1.627 0.02 . 2 . . . . . . . . 5602 1 1255 . 1 1 120 120 LEU HB3 H 1 1.859 0.02 . 2 . . . . . . . . 5602 1 1256 . 1 1 120 120 LEU CG C 13 28.092 0.40 . 1 . . . . . . . . 5602 1 1257 . 1 1 120 120 LEU HG H 1 2.007 0.02 . 1 . . . . . . . . 5602 1 1258 . 1 1 120 120 LEU CD1 C 13 25.536 0.40 . 2 . . . . . . . . 5602 1 1259 . 1 1 120 120 LEU HD11 H 1 1.088 0.02 . 2 . . . . . . . . 5602 1 1260 . 1 1 120 120 LEU HD12 H 1 1.088 0.02 . 2 . . . . . . . . 5602 1 1261 . 1 1 120 120 LEU HD13 H 1 1.088 0.02 . 2 . . . . . . . . 5602 1 1262 . 1 1 120 120 LEU CD2 C 13 24.259 0.40 . 2 . . . . . . . . 5602 1 1263 . 1 1 120 120 LEU HD21 H 1 1.014 0.02 . 2 . . . . . . . . 5602 1 1264 . 1 1 120 120 LEU HD22 H 1 1.014 0.02 . 2 . . . . . . . . 5602 1 1265 . 1 1 120 120 LEU HD23 H 1 1.014 0.02 . 2 . . . . . . . . 5602 1 1266 . 1 1 120 120 LEU C C 13 177.934 0.40 . 1 . . . . . . . . 5602 1 1267 . 1 1 121 121 ASN N N 15 116.587 0.20 . 1 . . . . . . . . 5602 1 1268 . 1 1 121 121 ASN H H 1 8.251 0.02 . 1 . . . . . . . . 5602 1 1269 . 1 1 121 121 ASN CA C 13 53.935 0.40 . 1 . . . . . . . . 5602 1 1270 . 1 1 121 121 ASN HA H 1 4.671 0.02 . 1 . . . . . . . . 5602 1 1271 . 1 1 121 121 ASN CB C 13 37.342 0.40 . 1 . . . . . . . . 5602 1 1272 . 1 1 121 121 ASN HB2 H 1 2.709 0.02 . 2 . . . . . . . . 5602 1 1273 . 1 1 121 121 ASN HB3 H 1 3.089 0.02 . 2 . . . . . . . . 5602 1 1274 . 1 1 121 121 ASN C C 13 176.400 0.40 . 1 . . . . . . . . 5602 1 1275 . 1 1 122 122 ARG N N 15 120.153 0.20 . 1 . . . . . . . . 5602 1 1276 . 1 1 122 122 ARG H H 1 7.962 0.02 . 1 . . . . . . . . 5602 1 1277 . 1 1 122 122 ARG CA C 13 56.702 0.40 . 1 . . . . . . . . 5602 1 1278 . 1 1 122 122 ARG HA H 1 4.724 0.02 . 1 . . . . . . . . 5602 1 1279 . 1 1 122 122 ARG CB C 13 31.113 0.40 . 1 . . . . . . . . 5602 1 1280 . 1 1 122 122 ARG HB2 H 1 1.664 0.02 . 2 . . . . . . . . 5602 1 1281 . 1 1 122 122 ARG HB3 H 1 2.266 0.02 . 2 . . . . . . . . 5602 1 1282 . 1 1 122 122 ARG CG C 13 28.062 0.40 . 1 . . . . . . . . 5602 1 1283 . 1 1 122 122 ARG HG2 H 1 1.508 0.02 . 2 . . . . . . . . 5602 1 1284 . 1 1 122 122 ARG HG3 H 1 1.737 0.02 . 2 . . . . . . . . 5602 1 1285 . 1 1 122 122 ARG CD C 13 43.852 0.40 . 1 . . . . . . . . 5602 1 1286 . 1 1 122 122 ARG HD2 H 1 3.144 0.02 . 2 . . . . . . . . 5602 1 1287 . 1 1 122 122 ARG HD3 H 1 3.346 0.02 . 2 . . . . . . . . 5602 1 1288 . 1 1 122 122 ARG C C 13 176.540 0.40 . 1 . . . . . . . . 5602 1 1289 . 1 1 123 123 LEU N N 15 116.716 0.20 . 1 . . . . . . . . 5602 1 1290 . 1 1 123 123 LEU H H 1 6.946 0.02 . 1 . . . . . . . . 5602 1 1291 . 1 1 123 123 LEU CA C 13 58.459 0.40 . 1 . . . . . . . . 5602 1 1292 . 1 1 123 123 LEU HA H 1 3.736 0.02 . 1 . . . . . . . . 5602 1 1293 . 1 1 123 123 LEU CB C 13 40.782 0.40 . 1 . . . . . . . . 5602 1 1294 . 1 1 123 123 LEU HB2 H 1 1.127 0.02 . 2 . . . . . . . . 5602 1 1295 . 1 1 123 123 LEU HB3 H 1 1.768 0.02 . 2 . . . . . . . . 5602 1 1296 . 1 1 123 123 LEU CG C 13 25.536 0.40 . 1 . . . . . . . . 5602 1 1297 . 1 1 123 123 LEU HG H 1 2.267 0.02 . 1 . . . . . . . . 5602 1 1298 . 1 1 123 123 LEU HD11 H 1 0.907 0.02 . 2 . . . . . . . . 5602 1 1299 . 1 1 123 123 LEU HD12 H 1 0.907 0.02 . 2 . . . . . . . . 5602 1 1300 . 1 1 123 123 LEU HD13 H 1 0.907 0.02 . 2 . . . . . . . . 5602 1 1301 . 1 1 123 123 LEU HD21 H 1 0.684 0.02 . 2 . . . . . . . . 5602 1 1302 . 1 1 123 123 LEU HD22 H 1 0.684 0.02 . 2 . . . . . . . . 5602 1 1303 . 1 1 123 123 LEU HD23 H 1 0.684 0.02 . 2 . . . . . . . . 5602 1 1304 . 1 1 123 123 LEU C C 13 177.555 0.40 . 1 . . . . . . . . 5602 1 1305 . 1 1 124 124 GLU N N 15 118.613 0.20 . 1 . . . . . . . . 5602 1 1306 . 1 1 124 124 GLU H H 1 8.345 0.02 . 1 . . . . . . . . 5602 1 1307 . 1 1 124 124 GLU CA C 13 60.452 0.40 . 1 . . . . . . . . 5602 1 1308 . 1 1 124 124 GLU HA H 1 3.936 0.02 . 1 . . . . . . . . 5602 1 1309 . 1 1 124 124 GLU CB C 13 28.000 0.40 . 1 . . . . . . . . 5602 1 1310 . 1 1 124 124 GLU HB2 H 1 1.894 0.02 . 2 . . . . . . . . 5602 1 1311 . 1 1 124 124 GLU HB3 H 1 2.195 0.02 . 2 . . . . . . . . 5602 1 1312 . 1 1 124 124 GLU CG C 13 37.671 0.40 . 1 . . . . . . . . 5602 1 1313 . 1 1 124 124 GLU HG2 H 1 2.162 0.02 . 2 . . . . . . . . 5602 1 1314 . 1 1 124 124 GLU HG3 H 1 2.481 0.02 . 2 . . . . . . . . 5602 1 1315 . 1 1 124 124 GLU C C 13 179.186 0.40 . 1 . . . . . . . . 5602 1 1316 . 1 1 125 125 GLU N N 15 125.546 0.20 . 1 . . . . . . . . 5602 1 1317 . 1 1 125 125 GLU H H 1 7.915 0.02 . 1 . . . . . . . . 5602 1 1318 . 1 1 125 125 GLU CA C 13 59.496 0.40 . 1 . . . . . . . . 5602 1 1319 . 1 1 125 125 GLU HA H 1 3.940 0.02 . 1 . . . . . . . . 5602 1 1320 . 1 1 125 125 GLU CB C 13 29.731 0.40 . 1 . . . . . . . . 5602 1 1321 . 1 1 125 125 GLU HB2 H 1 2.039 0.02 . 2 . . . . . . . . 5602 1 1322 . 1 1 125 125 GLU HB3 H 1 2.120 0.02 . 2 . . . . . . . . 5602 1 1323 . 1 1 125 125 GLU CG C 13 36.261 0.40 . 1 . . . . . . . . 5602 1 1324 . 1 1 125 125 GLU HG2 H 1 2.114 0.02 . 2 . . . . . . . . 5602 1 1325 . 1 1 125 125 GLU HG3 H 1 2.336 0.02 . 2 . . . . . . . . 5602 1 1326 . 1 1 125 125 GLU C C 13 178.658 0.40 . 1 . . . . . . . . 5602 1 1327 . 1 1 126 126 VAL N N 15 110.753 0.20 . 1 . . . . . . . . 5602 1 1328 . 1 1 126 126 VAL H H 1 7.725 0.02 . 1 . . . . . . . . 5602 1 1329 . 1 1 126 126 VAL CA C 13 61.236 0.40 . 1 . . . . . . . . 5602 1 1330 . 1 1 126 126 VAL HA H 1 4.093 0.02 . 1 . . . . . . . . 5602 1 1331 . 1 1 126 126 VAL CB C 13 31.677 0.40 . 1 . . . . . . . . 5602 1 1332 . 1 1 126 126 VAL HB H 1 2.260 0.02 . 1 . . . . . . . . 5602 1 1333 . 1 1 126 126 VAL CG2 C 13 18.721 0.40 . 1 . . . . . . . . 5602 1 1334 . 1 1 126 126 VAL HG21 H 1 0.733 0.02 . 1 . . . . . . . . 5602 1 1335 . 1 1 126 126 VAL HG22 H 1 0.733 0.02 . 1 . . . . . . . . 5602 1 1336 . 1 1 126 126 VAL HG23 H 1 0.733 0.02 . 1 . . . . . . . . 5602 1 1337 . 1 1 126 126 VAL CG1 C 13 21.277 0.40 . 1 . . . . . . . . 5602 1 1338 . 1 1 126 126 VAL HG11 H 1 0.864 0.02 . 1 . . . . . . . . 5602 1 1339 . 1 1 126 126 VAL HG12 H 1 0.864 0.02 . 1 . . . . . . . . 5602 1 1340 . 1 1 126 126 VAL HG13 H 1 0.864 0.02 . 1 . . . . . . . . 5602 1 1341 . 1 1 126 126 VAL C C 13 174.688 0.40 . 1 . . . . . . . . 5602 1 1342 . 1 1 127 127 ASN N N 15 118.485 0.20 . 1 . . . . . . . . 5602 1 1343 . 1 1 127 127 ASN H H 1 7.417 0.02 . 1 . . . . . . . . 5602 1 1344 . 1 1 127 127 ASN CA C 13 53.504 0.40 . 1 . . . . . . . . 5602 1 1345 . 1 1 127 127 ASN HA H 1 4.176 0.02 . 1 . . . . . . . . 5602 1 1346 . 1 1 127 127 ASN CB C 13 36.806 0.40 . 1 . . . . . . . . 5602 1 1347 . 1 1 127 127 ASN HB2 H 1 2.323 0.02 . 2 . . . . . . . . 5602 1 1348 . 1 1 127 127 ASN HB3 H 1 3.458 0.02 . 2 . . . . . . . . 5602 1 1349 . 1 1 127 127 ASN C C 13 173.828 0.40 . 1 . . . . . . . . 5602 1 1350 . 1 1 128 128 LEU N N 15 121.814 0.20 . 1 . . . . . . . . 5602 1 1351 . 1 1 128 128 LEU H H 1 7.366 0.02 . 1 . . . . . . . . 5602 1 1352 . 1 1 128 128 LEU CA C 13 56.008 0.40 . 1 . . . . . . . . 5602 1 1353 . 1 1 128 128 LEU HA H 1 4.585 0.02 . 1 . . . . . . . . 5602 1 1354 . 1 1 128 128 LEU CB C 13 42.334 0.40 . 1 . . . . . . . . 5602 1 1355 . 1 1 128 128 LEU HB2 H 1 1.089 0.02 . 2 . . . . . . . . 5602 1 1356 . 1 1 128 128 LEU HB3 H 1 1.417 0.02 . 2 . . . . . . . . 5602 1 1357 . 1 1 128 128 LEU HG H 1 1.226 0.02 . 1 . . . . . . . . 5602 1 1358 . 1 1 128 128 LEU CD1 C 13 22.981 0.40 . 2 . . . . . . . . 5602 1 1359 . 1 1 128 128 LEU HD11 H 1 0.841 0.02 . 2 . . . . . . . . 5602 1 1360 . 1 1 128 128 LEU HD12 H 1 0.841 0.02 . 2 . . . . . . . . 5602 1 1361 . 1 1 128 128 LEU HD13 H 1 0.841 0.02 . 2 . . . . . . . . 5602 1 1362 . 1 1 128 128 LEU CD2 C 13 28.092 0.40 . 2 . . . . . . . . 5602 1 1363 . 1 1 128 128 LEU HD21 H 1 0.766 0.02 . 2 . . . . . . . . 5602 1 1364 . 1 1 128 128 LEU HD22 H 1 0.766 0.02 . 2 . . . . . . . . 5602 1 1365 . 1 1 128 128 LEU HD23 H 1 0.766 0.02 . 2 . . . . . . . . 5602 1 1366 . 1 1 128 128 LEU C C 13 175.798 0.40 . 1 . . . . . . . . 5602 1 1367 . 1 1 129 129 VAL N N 15 127.252 0.20 . 1 . . . . . . . . 5602 1 1368 . 1 1 129 129 VAL H H 1 8.858 0.02 . 1 . . . . . . . . 5602 1 1369 . 1 1 129 129 VAL CA C 13 58.235 0.40 . 1 . . . . . . . . 5602 1 1370 . 1 1 129 129 VAL HA H 1 4.448 0.02 . 1 . . . . . . . . 5602 1 1371 . 1 1 129 129 VAL CB C 13 33.629 0.40 . 1 . . . . . . . . 5602 1 1372 . 1 1 129 129 VAL HB H 1 2.019 0.02 . 1 . . . . . . . . 5602 1 1373 . 1 1 129 129 VAL CG2 C 13 18.721 0.40 . 1 . . . . . . . . 5602 1 1374 . 1 1 129 129 VAL HG21 H 1 0.928 0.02 . 1 . . . . . . . . 5602 1 1375 . 1 1 129 129 VAL HG22 H 1 0.928 0.02 . 1 . . . . . . . . 5602 1 1376 . 1 1 129 129 VAL HG23 H 1 0.928 0.02 . 1 . . . . . . . . 5602 1 1377 . 1 1 129 129 VAL CG1 C 13 21.703 0.40 . 1 . . . . . . . . 5602 1 1378 . 1 1 129 129 VAL HG11 H 1 0.840 0.02 . 1 . . . . . . . . 5602 1 1379 . 1 1 129 129 VAL HG12 H 1 0.840 0.02 . 1 . . . . . . . . 5602 1 1380 . 1 1 129 129 VAL HG13 H 1 0.840 0.02 . 1 . . . . . . . . 5602 1 1381 . 1 1 129 129 VAL C C 13 173.360 0.40 . 1 . . . . . . . . 5602 1 1382 . 1 1 130 130 PRO CA C 13 62.104 0.40 . 1 . . . . . . . . 5602 1 1383 . 1 1 130 130 PRO HA H 1 4.575 0.02 . 1 . . . . . . . . 5602 1 1384 . 1 1 130 130 PRO CB C 13 34.775 0.40 . 1 . . . . . . . . 5602 1 1385 . 1 1 130 130 PRO HB2 H 1 2.154 0.02 . 2 . . . . . . . . 5602 1 1386 . 1 1 130 130 PRO HB3 H 1 2.421 0.02 . 2 . . . . . . . . 5602 1 1387 . 1 1 130 130 PRO CG C 13 25.439 0.40 . 1 . . . . . . . . 5602 1 1388 . 1 1 130 130 PRO HG2 H 1 1.920 0.02 . 2 . . . . . . . . 5602 1 1389 . 1 1 130 130 PRO HG3 H 1 1.781 0.02 . 2 . . . . . . . . 5602 1 1390 . 1 1 130 130 PRO HD2 H 1 3.518 0.02 . 2 . . . . . . . . 5602 1 1391 . 1 1 130 130 PRO HD3 H 1 3.546 0.02 . 2 . . . . . . . . 5602 1 1392 . 1 1 130 130 PRO C C 13 177.641 0.40 . 1 . . . . . . . . 5602 1 1393 . 1 1 131 131 GLU N N 15 126.826 0.20 . 1 . . . . . . . . 5602 1 1394 . 1 1 131 131 GLU H H 1 9.617 0.02 . 1 . . . . . . . . 5602 1 1395 . 1 1 131 131 GLU CA C 13 60.991 0.40 . 1 . . . . . . . . 5602 1 1396 . 1 1 131 131 GLU HA H 1 3.746 0.02 . 1 . . . . . . . . 5602 1 1397 . 1 1 131 131 GLU CB C 13 28.970 0.40 . 1 . . . . . . . . 5602 1 1398 . 1 1 131 131 GLU HB2 H 1 2.271 0.02 . 2 . . . . . . . . 5602 1 1399 . 1 1 131 131 GLU HB3 H 1 1.996 0.02 . 2 . . . . . . . . 5602 1 1400 . 1 1 131 131 GLU CG C 13 36.611 0.40 . 1 . . . . . . . . 5602 1 1401 . 1 1 131 131 GLU C C 13 179.205 0.40 . 1 . . . . . . . . 5602 1 1402 . 1 1 132 132 GLN N N 15 119.573 0.20 . 1 . . . . . . . . 5602 1 1403 . 1 1 132 132 GLN H H 1 9.088 0.02 . 1 . . . . . . . . 5602 1 1404 . 1 1 132 132 GLN CA C 13 58.913 0.40 . 1 . . . . . . . . 5602 1 1405 . 1 1 132 132 GLN HA H 1 4.139 0.02 . 1 . . . . . . . . 5602 1 1406 . 1 1 132 132 GLN CB C 13 28.569 0.40 . 1 . . . . . . . . 5602 1 1407 . 1 1 132 132 GLN HB2 H 1 2.294 0.02 . 2 . . . . . . . . 5602 1 1408 . 1 1 132 132 GLN HB3 H 1 1.952 0.02 . 2 . . . . . . . . 5602 1 1409 . 1 1 132 132 GLN CG C 13 34.201 0.40 . 1 . . . . . . . . 5602 1 1410 . 1 1 132 132 GLN HG2 H 1 2.640 0.02 . 1 . . . . . . . . 5602 1 1411 . 1 1 132 132 GLN HG3 H 1 2.640 0.02 . 1 . . . . . . . . 5602 1 1412 . 1 1 132 132 GLN C C 13 177.409 0.40 . 1 . . . . . . . . 5602 1 1413 . 1 1 133 133 VAL N N 15 116.587 0.20 . 1 . . . . . . . . 5602 1 1414 . 1 1 133 133 VAL H H 1 7.603 0.02 . 1 . . . . . . . . 5602 1 1415 . 1 1 133 133 VAL CA C 13 62.623 0.40 . 1 . . . . . . . . 5602 1 1416 . 1 1 133 133 VAL HA H 1 3.969 0.02 . 1 . . . . . . . . 5602 1 1417 . 1 1 133 133 VAL CB C 13 32.105 0.40 . 1 . . . . . . . . 5602 1 1418 . 1 1 133 133 VAL HB H 1 2.078 0.02 . 1 . . . . . . . . 5602 1 1419 . 1 1 133 133 VAL CG2 C 13 20.851 0.40 . 2 . . . . . . . . 5602 1 1420 . 1 1 133 133 VAL HG21 H 1 0.707 0.02 . 2 . . . . . . . . 5602 1 1421 . 1 1 133 133 VAL HG22 H 1 0.707 0.02 . 2 . . . . . . . . 5602 1 1422 . 1 1 133 133 VAL HG23 H 1 0.707 0.02 . 2 . . . . . . . . 5602 1 1423 . 1 1 133 133 VAL CG1 C 13 24.259 0.40 . 2 . . . . . . . . 5602 1 1424 . 1 1 133 133 VAL HG11 H 1 0.864 0.02 . 2 . . . . . . . . 5602 1 1425 . 1 1 133 133 VAL HG12 H 1 0.864 0.02 . 2 . . . . . . . . 5602 1 1426 . 1 1 133 133 VAL HG13 H 1 0.864 0.02 . 2 . . . . . . . . 5602 1 1427 . 1 1 133 133 VAL C C 13 176.577 0.40 . 1 . . . . . . . . 5602 1 1428 . 1 1 134 134 ARG N N 15 123.840 0.20 . 1 . . . . . . . . 5602 1 1429 . 1 1 134 134 ARG H H 1 7.701 0.02 . 1 . . . . . . . . 5602 1 1430 . 1 1 134 134 ARG CA C 13 60.319 0.40 . 1 . . . . . . . . 5602 1 1431 . 1 1 134 134 ARG HA H 1 3.700 0.02 . 1 . . . . . . . . 5602 1 1432 . 1 1 134 134 ARG CB C 13 29.536 0.40 . 1 . . . . . . . . 5602 1 1433 . 1 1 134 134 ARG CG C 13 28.512 0.40 . 1 . . . . . . . . 5602 1 1434 . 1 1 134 134 ARG C C 13 177.322 0.40 . 1 . . . . . . . . 5602 1 1435 . 1 1 135 135 GLU N N 15 119.178 0.20 . 1 . . . . . . . . 5602 1 1436 . 1 1 135 135 GLU H H 1 7.851 0.02 . 1 . . . . . . . . 5602 1 1437 . 1 1 135 135 GLU CA C 13 58.820 0.40 . 1 . . . . . . . . 5602 1 1438 . 1 1 135 135 GLU HA H 1 4.047 0.02 . 1 . . . . . . . . 5602 1 1439 . 1 1 135 135 GLU CB C 13 29.207 0.40 . 1 . . . . . . . . 5602 1 1440 . 1 1 135 135 GLU HB2 H 1 1.918 0.02 . 1 . . . . . . . . 5602 1 1441 . 1 1 135 135 GLU HB3 H 1 1.918 0.02 . 1 . . . . . . . . 5602 1 1442 . 1 1 135 135 GLU CG C 13 35.999 0.40 . 1 . . . . . . . . 5602 1 1443 . 1 1 135 135 GLU HG2 H 1 2.192 0.02 . 1 . . . . . . . . 5602 1 1444 . 1 1 135 135 GLU HG3 H 1 2.192 0.02 . 1 . . . . . . . . 5602 1 1445 . 1 1 135 135 GLU C C 13 178.710 0.40 . 1 . . . . . . . . 5602 1 1446 . 1 1 136 136 LEU N N 15 123.413 0.20 . 1 . . . . . . . . 5602 1 1447 . 1 1 136 136 LEU H H 1 6.843 0.02 . 1 . . . . . . . . 5602 1 1448 . 1 1 136 136 LEU CA C 13 58.159 0.40 . 1 . . . . . . . . 5602 1 1449 . 1 1 136 136 LEU HA H 1 3.950 0.02 . 1 . . . . . . . . 5602 1 1450 . 1 1 136 136 LEU CB C 13 42.148 0.40 . 1 . . . . . . . . 5602 1 1451 . 1 1 136 136 LEU HB2 H 1 1.418 0.02 . 2 . . . . . . . . 5602 1 1452 . 1 1 136 136 LEU HB3 H 1 1.797 0.02 . 2 . . . . . . . . 5602 1 1453 . 1 1 136 136 LEU CG C 13 26.506 0.40 . 1 . . . . . . . . 5602 1 1454 . 1 1 136 136 LEU HG H 1 1.268 0.02 . 1 . . . . . . . . 5602 1 1455 . 1 1 136 136 LEU CD1 C 13 23.833 0.40 . 2 . . . . . . . . 5602 1 1456 . 1 1 136 136 LEU HD11 H 1 0.682 0.02 . 2 . . . . . . . . 5602 1 1457 . 1 1 136 136 LEU HD12 H 1 0.682 0.02 . 2 . . . . . . . . 5602 1 1458 . 1 1 136 136 LEU HD13 H 1 0.682 0.02 . 2 . . . . . . . . 5602 1 1459 . 1 1 136 136 LEU CD2 C 13 26.388 0.40 . 2 . . . . . . . . 5602 1 1460 . 1 1 136 136 LEU HD21 H 1 0.384 0.02 . 2 . . . . . . . . 5602 1 1461 . 1 1 136 136 LEU HD22 H 1 0.384 0.02 . 2 . . . . . . . . 5602 1 1462 . 1 1 136 136 LEU HD23 H 1 0.384 0.02 . 2 . . . . . . . . 5602 1 1463 . 1 1 136 136 LEU C C 13 178.420 0.40 . 1 . . . . . . . . 5602 1 1464 . 1 1 137 137 VAL N N 15 117.877 0.20 . 1 . . . . . . . . 5602 1 1465 . 1 1 137 137 VAL H H 1 8.070 0.02 . 1 . . . . . . . . 5602 1 1466 . 1 1 137 137 VAL CA C 13 64.742 0.40 . 1 . . . . . . . . 5602 1 1467 . 1 1 137 137 VAL HA H 1 3.725 0.02 . 1 . . . . . . . . 5602 1 1468 . 1 1 137 137 VAL CB C 13 31.976 0.40 . 1 . . . . . . . . 5602 1 1469 . 1 1 137 137 VAL HB H 1 2.212 0.02 . 1 . . . . . . . . 5602 1 1470 . 1 1 137 137 VAL CG1 C 13 22.981 0.40 . 2 . . . . . . . . 5602 1 1471 . 1 1 137 137 VAL HG11 H 1 0.975 0.02 . 2 . . . . . . . . 5602 1 1472 . 1 1 137 137 VAL HG12 H 1 0.975 0.02 . 2 . . . . . . . . 5602 1 1473 . 1 1 137 137 VAL HG13 H 1 0.975 0.02 . 2 . . . . . . . . 5602 1 1474 . 1 1 137 137 VAL C C 13 179.702 0.40 . 1 . . . . . . . . 5602 1 1475 . 1 1 138 138 ARG N N 15 120.754 0.20 . 1 . . . . . . . . 5602 1 1476 . 1 1 138 138 ARG H H 1 7.704 0.02 . 1 . . . . . . . . 5602 1 1477 . 1 1 138 138 ARG CA C 13 59.591 0.40 . 1 . . . . . . . . 5602 1 1478 . 1 1 138 138 ARG HA H 1 4.166 0.02 . 1 . . . . . . . . 5602 1 1479 . 1 1 138 138 ARG CB C 13 30.456 0.40 . 1 . . . . . . . . 5602 1 1480 . 1 1 138 138 ARG HB2 H 1 1.926 0.02 . 1 . . . . . . . . 5602 1 1481 . 1 1 138 138 ARG HB3 H 1 1.926 0.02 . 1 . . . . . . . . 5602 1 1482 . 1 1 138 138 ARG HG2 H 1 1.570 0.02 . 1 . . . . . . . . 5602 1 1483 . 1 1 138 138 ARG HG3 H 1 1.570 0.02 . 1 . . . . . . . . 5602 1 1484 . 1 1 138 138 ARG CD C 13 43.000 0.40 . 1 . . . . . . . . 5602 1 1485 . 1 1 138 138 ARG HD2 H 1 3.137 0.02 . 2 . . . . . . . . 5602 1 1486 . 1 1 138 138 ARG HD3 H 1 3.064 0.02 . 2 . . . . . . . . 5602 1 1487 . 1 1 138 138 ARG C C 13 177.831 0.40 . 1 . . . . . . . . 5602 1 1488 . 1 1 139 139 THR N N 15 113.174 0.20 . 1 . . . . . . . . 5602 1 1489 . 1 1 139 139 THR H H 1 8.028 0.02 . 1 . . . . . . . . 5602 1 1490 . 1 1 139 139 THR CA C 13 63.703 0.40 . 1 . . . . . . . . 5602 1 1491 . 1 1 139 139 THR HA H 1 4.269 0.02 . 1 . . . . . . . . 5602 1 1492 . 1 1 139 139 THR CB C 13 70.117 0.40 . 1 . . . . . . . . 5602 1 1493 . 1 1 139 139 THR HB H 1 4.029 0.02 . 1 . . . . . . . . 5602 1 1494 . 1 1 139 139 THR CG2 C 13 19.147 0.40 . 1 . . . . . . . . 5602 1 1495 . 1 1 139 139 THR HG21 H 1 1.215 0.02 . 1 . . . . . . . . 5602 1 1496 . 1 1 139 139 THR HG22 H 1 1.215 0.02 . 1 . . . . . . . . 5602 1 1497 . 1 1 139 139 THR HG23 H 1 1.215 0.02 . 1 . . . . . . . . 5602 1 1498 . 1 1 139 139 THR C C 13 176.094 0.40 . 1 . . . . . . . . 5602 1 1499 . 1 1 140 140 GLN N N 15 120.369 0.20 . 1 . . . . . . . . 5602 1 1500 . 1 1 140 140 GLN H H 1 7.520 0.02 . 1 . . . . . . . . 5602 1 1501 . 1 1 140 140 GLN CA C 13 55.643 0.40 . 1 . . . . . . . . 5602 1 1502 . 1 1 140 140 GLN HA H 1 4.133 0.02 . 1 . . . . . . . . 5602 1 1503 . 1 1 140 140 GLN CB C 13 28.305 0.40 . 1 . . . . . . . . 5602 1 1504 . 1 1 140 140 GLN HB2 H 1 2.166 0.02 . 1 . . . . . . . . 5602 1 1505 . 1 1 140 140 GLN HB3 H 1 2.166 0.02 . 1 . . . . . . . . 5602 1 1506 . 1 1 140 140 GLN CG C 13 34.330 0.40 . 1 . . . . . . . . 5602 1 1507 . 1 1 140 140 GLN C C 13 175.677 0.40 . 1 . . . . . . . . 5602 1 1508 . 1 1 141 141 GLU N N 15 122.560 0.20 . 1 . . . . . . . . 5602 1 1509 . 1 1 141 141 GLU H H 1 7.482 0.02 . 1 . . . . . . . . 5602 1 1510 . 1 1 141 141 GLU CA C 13 57.420 0.40 . 1 . . . . . . . . 5602 1 1511 . 1 1 141 141 GLU HA H 1 3.317 0.02 . 1 . . . . . . . . 5602 1 1512 . 1 1 141 141 GLU CB C 13 29.838 0.40 . 1 . . . . . . . . 5602 1 1513 . 1 1 141 141 GLU HB2 H 1 1.721 0.02 . 2 . . . . . . . . 5602 1 1514 . 1 1 141 141 GLU HB3 H 1 1.858 0.02 . 2 . . . . . . . . 5602 1 1515 . 1 1 141 141 GLU CG C 13 35.937 0.40 . 1 . . . . . . . . 5602 1 1516 . 1 1 141 141 GLU HG2 H 1 1.972 0.02 . 2 . . . . . . . . 5602 1 1517 . 1 1 141 141 GLU HG3 H 1 2.055 0.02 . 2 . . . . . . . . 5602 1 1518 . 1 1 141 141 GLU C C 13 176.095 0.40 . 1 . . . . . . . . 5602 1 1519 . 1 1 142 142 VAL N N 15 119.619 0.20 . 1 . . . . . . . . 5602 1 1520 . 1 1 142 142 VAL H H 1 7.425 0.02 . 1 . . . . . . . . 5602 1 1521 . 1 1 142 142 VAL CA C 13 61.979 0.40 . 1 . . . . . . . . 5602 1 1522 . 1 1 142 142 VAL HA H 1 3.778 0.02 . 1 . . . . . . . . 5602 1 1523 . 1 1 142 142 VAL CB C 13 32.644 0.40 . 1 . . . . . . . . 5602 1 1524 . 1 1 142 142 VAL HB H 1 1.910 0.02 . 1 . . . . . . . . 5602 1 1525 . 1 1 142 142 VAL CG2 C 13 19.999 0.40 . 2 . . . . . . . . 5602 1 1526 . 1 1 142 142 VAL HG21 H 1 0.694 0.02 . 2 . . . . . . . . 5602 1 1527 . 1 1 142 142 VAL HG22 H 1 0.694 0.02 . 2 . . . . . . . . 5602 1 1528 . 1 1 142 142 VAL HG23 H 1 0.694 0.02 . 2 . . . . . . . . 5602 1 1529 . 1 1 142 142 VAL C C 13 175.500 0.40 . 1 . . . . . . . . 5602 1 1530 . 1 1 143 143 ASN N N 15 125.120 0.20 . 1 . . . . . . . . 5602 1 1531 . 1 1 143 143 ASN H H 1 8.201 0.02 . 1 . . . . . . . . 5602 1 1532 . 1 1 143 143 ASN CA C 13 51.280 0.40 . 1 . . . . . . . . 5602 1 1533 . 1 1 143 143 ASN HA H 1 4.886 0.02 . 1 . . . . . . . . 5602 1 1534 . 1 1 143 143 ASN CB C 13 38.931 0.40 . 1 . . . . . . . . 5602 1 1535 . 1 1 143 143 ASN HB2 H 1 2.561 0.02 . 2 . . . . . . . . 5602 1 1536 . 1 1 143 143 ASN HB3 H 1 2.742 0.02 . 2 . . . . . . . . 5602 1 stop_ save_