data_51994 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51994 _Entry.Title ; 1H, 15N and 13C backbone and side chain solution NMR assignments of the TPM domain-containing protein of the thermophilic bacterium Rhodothermus marinus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-06-08 _Entry.Accession_date 2023-06-08 _Entry.Last_release_date 2023-06-08 _Entry.Original_release_date 2023-06-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Leonardo Pellizza . . . 0000-0002-0950-6740 51994 2 Julio 'Arganaraz Araoz' . C.I. . 0009-0002-4188-7587 51994 3 Lila Ramis . . . . 51994 4 Martin Aran . . . 0000-0002-4004-6295 51994 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51994 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 578 51994 '15N chemical shifts' 141 51994 '1H chemical shifts' 947 51994 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-11-14 2023-06-08 update BMRB 'update entry citation' 51994 1 . . 2023-10-03 2023-06-08 original author 'original release' 51994 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51994 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37542635 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone and side chain solution NMR assignments of the TPM domain-containing protein of the thermophilic bacterium Rhodothermus marinus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 17 _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 229 _Citation.Page_last 233 _Citation.Year 2023 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Leonardo Pellizza . . . 0000-0002-0950-6740 51994 1 2 Julio 'Arganaraz Araoz' . C.I. . 0009-0002-4188-7587 51994 1 3 Lila Ramis . . . . 51994 1 4 Martin Aran . . . 0000-0002-4004-6295 51994 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51994 _Assembly.ID 1 _Assembly.Name TPMRM _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TPMRM 1 $entity_1 . . yes native no no . . . 51994 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51994 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMQIEVIPPSGQWVTDLADL LTPAEERMLSRKLATYADTT STQIVIVTLPTLNGVPAADY AVELGRRWGVGQKEYDNGVV ILVAREEREVFIATGYGLEG AIPDALAGRIVRDIIVPRFR RGDFYGGLSAAVDAIIAAAQ GEFQP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 51994 1 2 . MET . 51994 1 3 . GLN . 51994 1 4 . ILE . 51994 1 5 . GLU . 51994 1 6 . VAL . 51994 1 7 . ILE . 51994 1 8 . PRO . 51994 1 9 . PRO . 51994 1 10 . SER . 51994 1 11 . GLY . 51994 1 12 . GLN . 51994 1 13 . TRP . 51994 1 14 . VAL . 51994 1 15 . THR . 51994 1 16 . ASP . 51994 1 17 . LEU . 51994 1 18 . ALA . 51994 1 19 . ASP . 51994 1 20 . LEU . 51994 1 21 . LEU . 51994 1 22 . THR . 51994 1 23 . PRO . 51994 1 24 . ALA . 51994 1 25 . GLU . 51994 1 26 . GLU . 51994 1 27 . ARG . 51994 1 28 . MET . 51994 1 29 . LEU . 51994 1 30 . SER . 51994 1 31 . ARG . 51994 1 32 . LYS . 51994 1 33 . LEU . 51994 1 34 . ALA . 51994 1 35 . THR . 51994 1 36 . TYR . 51994 1 37 . ALA . 51994 1 38 . ASP . 51994 1 39 . THR . 51994 1 40 . THR . 51994 1 41 . SER . 51994 1 42 . THR . 51994 1 43 . GLN . 51994 1 44 . ILE . 51994 1 45 . VAL . 51994 1 46 . ILE . 51994 1 47 . VAL . 51994 1 48 . THR . 51994 1 49 . LEU . 51994 1 50 . PRO . 51994 1 51 . THR . 51994 1 52 . LEU . 51994 1 53 . ASN . 51994 1 54 . GLY . 51994 1 55 . VAL . 51994 1 56 . PRO . 51994 1 57 . ALA . 51994 1 58 . ALA . 51994 1 59 . ASP . 51994 1 60 . TYR . 51994 1 61 . ALA . 51994 1 62 . VAL . 51994 1 63 . GLU . 51994 1 64 . LEU . 51994 1 65 . GLY . 51994 1 66 . ARG . 51994 1 67 . ARG . 51994 1 68 . TRP . 51994 1 69 . GLY . 51994 1 70 . VAL . 51994 1 71 . GLY . 51994 1 72 . GLN . 51994 1 73 . LYS . 51994 1 74 . GLU . 51994 1 75 . TYR . 51994 1 76 . ASP . 51994 1 77 . ASN . 51994 1 78 . GLY . 51994 1 79 . VAL . 51994 1 80 . VAL . 51994 1 81 . ILE . 51994 1 82 . LEU . 51994 1 83 . VAL . 51994 1 84 . ALA . 51994 1 85 . ARG . 51994 1 86 . GLU . 51994 1 87 . GLU . 51994 1 88 . ARG . 51994 1 89 . GLU . 51994 1 90 . VAL . 51994 1 91 . PHE . 51994 1 92 . ILE . 51994 1 93 . ALA . 51994 1 94 . THR . 51994 1 95 . GLY . 51994 1 96 . TYR . 51994 1 97 . GLY . 51994 1 98 . LEU . 51994 1 99 . GLU . 51994 1 100 . GLY . 51994 1 101 . ALA . 51994 1 102 . ILE . 51994 1 103 . PRO . 51994 1 104 . ASP . 51994 1 105 . ALA . 51994 1 106 . LEU . 51994 1 107 . ALA . 51994 1 108 . GLY . 51994 1 109 . ARG . 51994 1 110 . ILE . 51994 1 111 . VAL . 51994 1 112 . ARG . 51994 1 113 . ASP . 51994 1 114 . ILE . 51994 1 115 . ILE . 51994 1 116 . VAL . 51994 1 117 . PRO . 51994 1 118 . ARG . 51994 1 119 . PHE . 51994 1 120 . ARG . 51994 1 121 . ARG . 51994 1 122 . GLY . 51994 1 123 . ASP . 51994 1 124 . PHE . 51994 1 125 . TYR . 51994 1 126 . GLY . 51994 1 127 . GLY . 51994 1 128 . LEU . 51994 1 129 . SER . 51994 1 130 . ALA . 51994 1 131 . ALA . 51994 1 132 . VAL . 51994 1 133 . ASP . 51994 1 134 . ALA . 51994 1 135 . ILE . 51994 1 136 . ILE . 51994 1 137 . ALA . 51994 1 138 . ALA . 51994 1 139 . ALA . 51994 1 140 . GLN . 51994 1 141 . GLY . 51994 1 142 . GLU . 51994 1 143 . PHE . 51994 1 144 . GLN . 51994 1 145 . PRO . 51994 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51994 1 . MET 2 2 51994 1 . GLN 3 3 51994 1 . ILE 4 4 51994 1 . GLU 5 5 51994 1 . VAL 6 6 51994 1 . ILE 7 7 51994 1 . PRO 8 8 51994 1 . PRO 9 9 51994 1 . SER 10 10 51994 1 . GLY 11 11 51994 1 . GLN 12 12 51994 1 . TRP 13 13 51994 1 . VAL 14 14 51994 1 . THR 15 15 51994 1 . ASP 16 16 51994 1 . LEU 17 17 51994 1 . ALA 18 18 51994 1 . ASP 19 19 51994 1 . LEU 20 20 51994 1 . LEU 21 21 51994 1 . THR 22 22 51994 1 . PRO 23 23 51994 1 . ALA 24 24 51994 1 . GLU 25 25 51994 1 . GLU 26 26 51994 1 . ARG 27 27 51994 1 . MET 28 28 51994 1 . LEU 29 29 51994 1 . SER 30 30 51994 1 . ARG 31 31 51994 1 . LYS 32 32 51994 1 . LEU 33 33 51994 1 . ALA 34 34 51994 1 . THR 35 35 51994 1 . TYR 36 36 51994 1 . ALA 37 37 51994 1 . ASP 38 38 51994 1 . THR 39 39 51994 1 . THR 40 40 51994 1 . SER 41 41 51994 1 . THR 42 42 51994 1 . GLN 43 43 51994 1 . ILE 44 44 51994 1 . VAL 45 45 51994 1 . ILE 46 46 51994 1 . VAL 47 47 51994 1 . THR 48 48 51994 1 . LEU 49 49 51994 1 . PRO 50 50 51994 1 . THR 51 51 51994 1 . LEU 52 52 51994 1 . ASN 53 53 51994 1 . GLY 54 54 51994 1 . VAL 55 55 51994 1 . PRO 56 56 51994 1 . ALA 57 57 51994 1 . ALA 58 58 51994 1 . ASP 59 59 51994 1 . TYR 60 60 51994 1 . ALA 61 61 51994 1 . VAL 62 62 51994 1 . GLU 63 63 51994 1 . LEU 64 64 51994 1 . GLY 65 65 51994 1 . ARG 66 66 51994 1 . ARG 67 67 51994 1 . TRP 68 68 51994 1 . GLY 69 69 51994 1 . VAL 70 70 51994 1 . GLY 71 71 51994 1 . GLN 72 72 51994 1 . LYS 73 73 51994 1 . GLU 74 74 51994 1 . TYR 75 75 51994 1 . ASP 76 76 51994 1 . ASN 77 77 51994 1 . GLY 78 78 51994 1 . VAL 79 79 51994 1 . VAL 80 80 51994 1 . ILE 81 81 51994 1 . LEU 82 82 51994 1 . VAL 83 83 51994 1 . ALA 84 84 51994 1 . ARG 85 85 51994 1 . GLU 86 86 51994 1 . GLU 87 87 51994 1 . ARG 88 88 51994 1 . GLU 89 89 51994 1 . VAL 90 90 51994 1 . PHE 91 91 51994 1 . ILE 92 92 51994 1 . ALA 93 93 51994 1 . THR 94 94 51994 1 . GLY 95 95 51994 1 . TYR 96 96 51994 1 . GLY 97 97 51994 1 . LEU 98 98 51994 1 . GLU 99 99 51994 1 . GLY 100 100 51994 1 . ALA 101 101 51994 1 . ILE 102 102 51994 1 . PRO 103 103 51994 1 . ASP 104 104 51994 1 . ALA 105 105 51994 1 . LEU 106 106 51994 1 . ALA 107 107 51994 1 . GLY 108 108 51994 1 . ARG 109 109 51994 1 . ILE 110 110 51994 1 . VAL 111 111 51994 1 . ARG 112 112 51994 1 . ASP 113 113 51994 1 . ILE 114 114 51994 1 . ILE 115 115 51994 1 . VAL 116 116 51994 1 . PRO 117 117 51994 1 . ARG 118 118 51994 1 . PHE 119 119 51994 1 . ARG 120 120 51994 1 . ARG 121 121 51994 1 . GLY 122 122 51994 1 . ASP 123 123 51994 1 . PHE 124 124 51994 1 . TYR 125 125 51994 1 . GLY 126 126 51994 1 . GLY 127 127 51994 1 . LEU 128 128 51994 1 . SER 129 129 51994 1 . ALA 130 130 51994 1 . ALA 131 131 51994 1 . VAL 132 132 51994 1 . ASP 133 133 51994 1 . ALA 134 134 51994 1 . ILE 135 135 51994 1 . ILE 136 136 51994 1 . ALA 137 137 51994 1 . ALA 138 138 51994 1 . ALA 139 139 51994 1 . GLN 140 140 51994 1 . GLY 141 141 51994 1 . GLU 142 142 51994 1 . PHE 143 143 51994 1 . GLN 144 144 51994 1 . PRO 145 145 51994 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51994 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 29549 organism . 'Rhodothermus marinus' 'Rhodothermus marinus' . . Bacteria . Rhodothermus marinus . . . . . . . . . . . . . 51994 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51994 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28b+ . . . 51994 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51994 _Sample.ID 1 _Sample.Name TPMRM _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TPMRM Domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 400 600 uM . . . . 51994 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51994 _Sample_condition_list.ID 1 _Sample_condition_list.Name TPMRM _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 51994 1 pH 7.4 . pH 51994 1 pressure 1 . atm 51994 1 temperature 298 . K 51994 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51994 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51994 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 51994 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51994 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 7 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 8 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 9 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 10 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 11 '2D HBCBCGCDHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 15 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 16 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51994 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51994 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name TPMRM _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 1 . . . . . 51994 1 H 1 DSS 'methyl protons' . . . . ppm 0 external indirect 1 . . . . . 51994 1 N 15 urea nitrogen . . . . ppm 77 external indirect 1 . . . . . 51994 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51994 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name TPMRM _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' . . . 51994 1 2 '2D 1H-15N HSQC' . . . 51994 1 3 '2D 1H-13C HSQC aliphatic' . . . 51994 1 4 '2D 1H-13C HSQC aromatic' . . . 51994 1 5 '2D 1H-1H TOCSY' . . . 51994 1 6 '3D CBCA(CO)NH' . . . 51994 1 7 '3D CBCANH' . . . 51994 1 8 '3D HNCO' . . . 51994 1 9 '3D HNCA' . . . 51994 1 10 '2D HBCBCGCDCEHE' . . . 51994 1 11 '2D HBCBCGCDHD' . . . 51994 1 12 '3D 1H-13C NOESY aromatic' . . . 51994 1 13 '3D 1H-15N NOESY' . . . 51994 1 14 '3D 1H-15N TOCSY' . . . 51994 1 15 '3D HN(CA)CO' . . . 51994 1 16 '3D HN(CO)CA' . . . 51994 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51994 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 MET H H 1 8.539 0 . 1 . . . . . 2 MET H . 51994 1 2 . 1 . 1 2 2 MET HA H 1 4.766 0 . 1 . . . . . 2 MET HA . 51994 1 3 . 1 . 1 2 2 MET HB2 H 1 2.2 0 . 2 . . . . . 2 MET HB2 . 51994 1 4 . 1 . 1 2 2 MET HB3 H 1 2.2 0 . 2 . . . . . 2 MET HB3 . 51994 1 5 . 1 . 1 2 2 MET HG2 H 1 2.451 0 . 2 . . . . . 2 MET HG2 . 51994 1 6 . 1 . 1 2 2 MET HG3 H 1 2.451 0 . 2 . . . . . 2 MET HG3 . 51994 1 7 . 1 . 1 2 2 MET HE1 H 1 2.218 0 . 1 . . . . . 2 MET ME . 51994 1 8 . 1 . 1 2 2 MET HE2 H 1 2.218 0 . 1 . . . . . 2 MET ME . 51994 1 9 . 1 . 1 2 2 MET HE3 H 1 2.218 0 . 1 . . . . . 2 MET ME . 51994 1 10 . 1 . 1 2 2 MET C C 13 176.03 0 . 1 . . . . . 2 MET C . 51994 1 11 . 1 . 1 2 2 MET CA C 13 55.78 0 . 1 . . . . . 2 MET CA . 51994 1 12 . 1 . 1 2 2 MET CB C 13 29.16 0 . 1 . . . . . 2 MET CB . 51994 1 13 . 1 . 1 2 2 MET CE C 13 16.785 0 . 1 . . . . . 2 MET CE . 51994 1 14 . 1 . 1 2 2 MET N N 15 122.637 0 . 1 . . . . . 2 MET N . 51994 1 15 . 1 . 1 3 3 GLN H H 1 8.263 0 . 1 . . . . . 3 GLN H . 51994 1 16 . 1 . 1 3 3 GLN HA H 1 4.104 0 . 1 . . . . . 3 GLN HA . 51994 1 17 . 1 . 1 3 3 GLN HB2 H 1 2.114 0 . 2 . . . . . 3 GLN HB2 . 51994 1 18 . 1 . 1 3 3 GLN HB3 H 1 2.114 0 . 2 . . . . . 3 GLN HB3 . 51994 1 19 . 1 . 1 3 3 GLN HG2 H 1 1.67 0 . 2 . . . . . 3 GLN HG2 . 51994 1 20 . 1 . 1 3 3 GLN HG3 H 1 1.67 0 . 2 . . . . . 3 GLN HG3 . 51994 1 21 . 1 . 1 3 3 GLN HE21 H 1 7.157 0 . 2 . . . . . 3 GLN HE21 . 51994 1 22 . 1 . 1 3 3 GLN HE22 H 1 6.991 0 . 2 . . . . . 3 GLN HE22 . 51994 1 23 . 1 . 1 3 3 GLN C C 13 176.54 0 . 1 . . . . . 3 GLN C . 51994 1 24 . 1 . 1 3 3 GLN CA C 13 60.9 0 . 1 . . . . . 3 GLN CA . 51994 1 25 . 1 . 1 3 3 GLN CB C 13 39.79 0 . 1 . . . . . 3 GLN CB . 51994 1 26 . 1 . 1 3 3 GLN CG C 13 26.83 0 . 1 . . . . . 3 GLN CG . 51994 1 27 . 1 . 1 3 3 GLN N N 15 122.981 0 . 1 . . . . . 3 GLN N . 51994 1 28 . 1 . 1 3 3 GLN NE2 N 15 110.490 0 . 1 . . . . . 3 GLN NE2 . 51994 1 29 . 1 . 1 4 4 ILE H H 1 8.421 0 . 1 . . . . . 4 ILE H . 51994 1 30 . 1 . 1 4 4 ILE HA H 1 4.516 0 . 1 . . . . . 4 ILE HA . 51994 1 31 . 1 . 1 4 4 ILE HB H 1 1.992 0 . 1 . . . . . 4 ILE HB . 51994 1 32 . 1 . 1 4 4 ILE HG12 H 1 1.386 0 . 2 . . . . . 4 ILE HG12 . 51994 1 33 . 1 . 1 4 4 ILE HG13 H 1 1.386 0 . 2 . . . . . 4 ILE HG13 . 51994 1 34 . 1 . 1 4 4 ILE HG21 H 1 0.85 0 . 1 . . . . . 4 ILE MG . 51994 1 35 . 1 . 1 4 4 ILE HG22 H 1 0.85 0 . 1 . . . . . 4 ILE MG . 51994 1 36 . 1 . 1 4 4 ILE HG23 H 1 0.85 0 . 1 . . . . . 4 ILE MG . 51994 1 37 . 1 . 1 4 4 ILE HD11 H 1 0.64 0 . 1 . . . . . 4 ILE MD . 51994 1 38 . 1 . 1 4 4 ILE HD12 H 1 0.64 0 . 1 . . . . . 4 ILE MD . 51994 1 39 . 1 . 1 4 4 ILE HD13 H 1 0.64 0 . 1 . . . . . 4 ILE MD . 51994 1 40 . 1 . 1 4 4 ILE C C 13 176.56 0 . 1 . . . . . 4 ILE C . 51994 1 41 . 1 . 1 4 4 ILE CA C 13 55.4 0 . 1 . . . . . 4 ILE CA . 51994 1 42 . 1 . 1 4 4 ILE CB C 13 35.4 0 . 1 . . . . . 4 ILE CB . 51994 1 43 . 1 . 1 4 4 ILE CG1 C 13 29.9 0 . 1 . . . . . 4 ILE CG1 . 51994 1 44 . 1 . 1 4 4 ILE CG2 C 13 18.7 0 . 1 . . . . . 4 ILE CG2 . 51994 1 45 . 1 . 1 4 4 ILE CD1 C 13 15.666 0 . 1 . . . . . 4 ILE CD1 . 51994 1 46 . 1 . 1 4 4 ILE N N 15 126.564 0 . 1 . . . . . 4 ILE N . 51994 1 47 . 1 . 1 5 5 GLU H H 1 7.789 0 . 1 . . . . . 5 GLU H . 51994 1 48 . 1 . 1 5 5 GLU HA H 1 4.53 0 . 1 . . . . . 5 GLU HA . 51994 1 49 . 1 . 1 5 5 GLU HB2 H 1 1.773 0 . 2 . . . . . 5 GLU HB2 . 51994 1 50 . 1 . 1 5 5 GLU HB3 H 1 1.773 0 . 2 . . . . . 5 GLU HB3 . 51994 1 51 . 1 . 1 5 5 GLU HG2 H 1 2.19 0 . 2 . . . . . 5 GLU HG2 . 51994 1 52 . 1 . 1 5 5 GLU HG3 H 1 2.19 0 . 2 . . . . . 5 GLU HG3 . 51994 1 53 . 1 . 1 5 5 GLU HE2 H 1 3.89 0 . 1 . . . . . 5 GLU HE2 . 51994 1 54 . 1 . 1 5 5 GLU C C 13 175.49 0 . 1 . . . . . 5 GLU C . 51994 1 55 . 1 . 1 5 5 GLU CA C 13 59.05 0 . 1 . . . . . 5 GLU CA . 51994 1 56 . 1 . 1 5 5 GLU CB C 13 34.48 0 . 1 . . . . . 5 GLU CB . 51994 1 57 . 1 . 1 5 5 GLU CG C 13 35.345 0 . 1 . . . . . 5 GLU CG . 51994 1 58 . 1 . 1 5 5 GLU N N 15 117.539 0 . 1 . . . . . 5 GLU N . 51994 1 59 . 1 . 1 6 6 VAL H H 1 7.301 0 . 1 . . . . . 6 VAL H . 51994 1 60 . 1 . 1 6 6 VAL HA H 1 4.543 0 . 1 . . . . . 6 VAL HA . 51994 1 61 . 1 . 1 6 6 VAL HB H 1 1.977 0 . 1 . . . . . 6 VAL HB . 51994 1 62 . 1 . 1 6 6 VAL HG11 H 1 1.020 0 . 2 . . . . . 6 VAL MG1 . 51994 1 63 . 1 . 1 6 6 VAL HG12 H 1 1.020 0 . 2 . . . . . 6 VAL MG1 . 51994 1 64 . 1 . 1 6 6 VAL HG13 H 1 1.020 0 . 2 . . . . . 6 VAL MG1 . 51994 1 65 . 1 . 1 6 6 VAL HG21 H 1 1.020 0 . 2 . . . . . 6 VAL MG2 . 51994 1 66 . 1 . 1 6 6 VAL HG22 H 1 1.020 0 . 2 . . . . . 6 VAL MG2 . 51994 1 67 . 1 . 1 6 6 VAL HG23 H 1 1.020 0 . 2 . . . . . 6 VAL MG2 . 51994 1 68 . 1 . 1 6 6 VAL C C 13 178.13 0 . 1 . . . . . 6 VAL C . 51994 1 69 . 1 . 1 6 6 VAL CA C 13 60.73 0 . 1 . . . . . 6 VAL CA . 51994 1 70 . 1 . 1 6 6 VAL CB C 13 37.26 0 . 1 . . . . . 6 VAL CB . 51994 1 71 . 1 . 1 6 6 VAL CG1 C 13 20.860 0 . 2 . . . . . 6 VAL CG1 . 51994 1 72 . 1 . 1 6 6 VAL CG2 C 13 20.860 0 . 2 . . . . . 6 VAL CG2 . 51994 1 73 . 1 . 1 6 6 VAL N N 15 115.517 0 . 1 . . . . . 6 VAL N . 51994 1 74 . 1 . 1 7 7 ILE H H 1 8.623 0 . 1 . . . . . 7 ILE H . 51994 1 75 . 1 . 1 7 7 ILE HA H 1 4.588 0 . 1 . . . . . 7 ILE HA . 51994 1 76 . 1 . 1 7 7 ILE HB H 1 2.068 0 . 1 . . . . . 7 ILE HB . 51994 1 77 . 1 . 1 7 7 ILE HG12 H 1 1.443 0 . 2 . . . . . 7 ILE HG12 . 51994 1 78 . 1 . 1 7 7 ILE HG13 H 1 1.443 0 . 2 . . . . . 7 ILE HG13 . 51994 1 79 . 1 . 1 7 7 ILE HG21 H 1 0.768 0 . 1 . . . . . 7 ILE MG . 51994 1 80 . 1 . 1 7 7 ILE HG22 H 1 0.768 0 . 1 . . . . . 7 ILE MG . 51994 1 81 . 1 . 1 7 7 ILE HG23 H 1 0.768 0 . 1 . . . . . 7 ILE MG . 51994 1 82 . 1 . 1 7 7 ILE HD11 H 1 0.768 0 . 1 . . . . . 7 ILE MD . 51994 1 83 . 1 . 1 7 7 ILE HD12 H 1 0.768 0 . 1 . . . . . 7 ILE MD . 51994 1 84 . 1 . 1 7 7 ILE HD13 H 1 0.768 0 . 1 . . . . . 7 ILE MD . 51994 1 85 . 1 . 1 7 7 ILE C C 13 176.48 0 . 1 . . . . . 7 ILE C . 51994 1 86 . 1 . 1 7 7 ILE CA C 13 60.82 0 . 1 . . . . . 7 ILE CA . 51994 1 87 . 1 . 1 7 7 ILE CB C 13 35.47 0 . 1 . . . . . 7 ILE CB . 51994 1 88 . 1 . 1 7 7 ILE N N 15 123.491 0 . 1 . . . . . 7 ILE N . 51994 1 89 . 1 . 1 9 9 PRO C C 13 174.04 0 . 1 . . . . . 9 PRO C . 51994 1 90 . 1 . 1 9 9 PRO CA C 13 62.74 0 . 1 . . . . . 9 PRO CA . 51994 1 91 . 1 . 1 9 9 PRO CB C 13 31.06 0 . 1 . . . . . 9 PRO CB . 51994 1 92 . 1 . 1 10 10 SER H H 1 5.921 0 . 1 . . . . . 10 SER H . 51994 1 93 . 1 . 1 10 10 SER HA H 1 4.308 0 . 1 . . . . . 10 SER HA . 51994 1 94 . 1 . 1 10 10 SER HB2 H 1 3.856 0 . 2 . . . . . 10 SER HB2 . 51994 1 95 . 1 . 1 10 10 SER HB3 H 1 3.856 0 . 2 . . . . . 10 SER HB3 . 51994 1 96 . 1 . 1 10 10 SER C C 13 175.46 0 . 1 . . . . . 10 SER C . 51994 1 97 . 1 . 1 10 10 SER CA C 13 57.58 0 . 1 . . . . . 10 SER CA . 51994 1 98 . 1 . 1 10 10 SER CB C 13 64.48 0 . 1 . . . . . 10 SER CB . 51994 1 99 . 1 . 1 10 10 SER N N 15 117.905 0 . 1 . . . . . 10 SER N . 51994 1 100 . 1 . 1 11 11 GLY H H 1 8.367 0 . 1 . . . . . 11 GLY H . 51994 1 101 . 1 . 1 11 11 GLY HA2 H 1 3.569 0 . 2 . . . . . 11 GLY HA2 . 51994 1 102 . 1 . 1 11 11 GLY HA3 H 1 4.012 0 . 2 . . . . . 11 GLY HA3 . 51994 1 103 . 1 . 1 11 11 GLY C C 13 177.77 0 . 1 . . . . . 11 GLY C . 51994 1 104 . 1 . 1 11 11 GLY CA C 13 45.58 0 . 1 . . . . . 11 GLY CA . 51994 1 105 . 1 . 1 11 11 GLY N N 15 111.563 0 . 1 . . . . . 11 GLY N . 51994 1 106 . 1 . 1 12 12 GLN H H 1 7.688 0 . 1 . . . . . 12 GLN H . 51994 1 107 . 1 . 1 12 12 GLN HA H 1 4.557 0 . 1 . . . . . 12 GLN HA . 51994 1 108 . 1 . 1 12 12 GLN HB2 H 1 1.813 0 . 2 . . . . . 12 GLN HB2 . 51994 1 109 . 1 . 1 12 12 GLN HB3 H 1 1.813 0 . 2 . . . . . 12 GLN HB3 . 51994 1 110 . 1 . 1 12 12 GLN HG2 H 1 2.278 0 . 2 . . . . . 12 GLN HG2 . 51994 1 111 . 1 . 1 12 12 GLN HG3 H 1 2.278 0 . 2 . . . . . 12 GLN HG3 . 51994 1 112 . 1 . 1 12 12 GLN HE21 H 1 7.574 0 . 2 . . . . . 12 GLN HE21 . 51994 1 113 . 1 . 1 12 12 GLN HE22 H 1 7.015 0 . 2 . . . . . 12 GLN HE22 . 51994 1 114 . 1 . 1 12 12 GLN C C 13 174.38 0 . 1 . . . . . 12 GLN C . 51994 1 115 . 1 . 1 12 12 GLN CA C 13 54 0 . 1 . . . . . 12 GLN CA . 51994 1 116 . 1 . 1 12 12 GLN CB C 13 30.34 0 . 1 . . . . . 12 GLN CB . 51994 1 117 . 1 . 1 12 12 GLN CG C 13 33.456 0 . 1 . . . . . 12 GLN CG . 51994 1 118 . 1 . 1 12 12 GLN N N 15 116.268 0 . 1 . . . . . 12 GLN N . 51994 1 119 . 1 . 1 12 12 GLN NE2 N 15 112.110 0 . 1 . . . . . 12 GLN NE2 . 51994 1 120 . 1 . 1 13 13 TRP H H 1 8.333 0 . 1 . . . . . 13 TRP H . 51994 1 121 . 1 . 1 13 13 TRP HA H 1 4.533 0 . 1 . . . . . 13 TRP HA . 51994 1 122 . 1 . 1 13 13 TRP HB2 H 1 3.303 0 . 2 . . . . . 13 TRP HB2 . 51994 1 123 . 1 . 1 13 13 TRP HB3 H 1 3.303 0 . 2 . . . . . 13 TRP HB3 . 51994 1 124 . 1 . 1 13 13 TRP HD1 H 1 7.598 0 . 1 . . . . . 13 TRP HD1 . 51994 1 125 . 1 . 1 13 13 TRP HE1 H 1 10.412 0 . 1 . . . . . 13 TRP HE1 . 51994 1 126 . 1 . 1 13 13 TRP HE3 H 1 7.328 0 . 1 . . . . . 13 TRP HE3 . 51994 1 127 . 1 . 1 13 13 TRP HZ2 H 1 7.712 0 . 1 . . . . . 13 TRP HZ2 . 51994 1 128 . 1 . 1 13 13 TRP HZ3 H 1 7.318 0 . 1 . . . . . 13 TRP HZ3 . 51994 1 129 . 1 . 1 13 13 TRP HH2 H 1 7.723 0 . 1 . . . . . 13 TRP HH2 . 51994 1 130 . 1 . 1 13 13 TRP C C 13 176.91 0 . 1 . . . . . 13 TRP C . 51994 1 131 . 1 . 1 13 13 TRP CA C 13 60.58 0 . 1 . . . . . 13 TRP CA . 51994 1 132 . 1 . 1 13 13 TRP CB C 13 29.79 0 . 1 . . . . . 13 TRP CB . 51994 1 133 . 1 . 1 13 13 TRP CD1 C 13 127.367 0 . 1 . . . . . 13 TRP CD1 . 51994 1 134 . 1 . 1 13 13 TRP CE3 C 13 122.635 0 . 1 . . . . . 13 TRP CE3 . 51994 1 135 . 1 . 1 13 13 TRP CZ2 C 13 114.687 0 . 1 . . . . . 13 TRP CZ2 . 51994 1 136 . 1 . 1 13 13 TRP CZ3 C 13 120.072 0 . 1 . . . . . 13 TRP CZ3 . 51994 1 137 . 1 . 1 13 13 TRP CH2 C 13 121.184 0 . 1 . . . . . 13 TRP CH2 . 51994 1 138 . 1 . 1 13 13 TRP N N 15 125.125 0 . 1 . . . . . 13 TRP N . 51994 1 139 . 1 . 1 13 13 TRP NE1 N 15 129.337 0 . 1 . . . . . 13 TRP NE1 . 51994 1 140 . 1 . 1 14 14 VAL H H 1 8.038 0 . 1 . . . . . 14 VAL H . 51994 1 141 . 1 . 1 14 14 VAL HA H 1 4.842 0 . 1 . . . . . 14 VAL HA . 51994 1 142 . 1 . 1 14 14 VAL HB H 1 2.234 0 . 1 . . . . . 14 VAL HB . 51994 1 143 . 1 . 1 14 14 VAL HG11 H 1 0.962 0 . 2 . . . . . 14 VAL MG1 . 51994 1 144 . 1 . 1 14 14 VAL HG12 H 1 0.962 0 . 2 . . . . . 14 VAL MG1 . 51994 1 145 . 1 . 1 14 14 VAL HG13 H 1 0.962 0 . 2 . . . . . 14 VAL MG1 . 51994 1 146 . 1 . 1 14 14 VAL HG21 H 1 0.962 0 . 2 . . . . . 14 VAL MG2 . 51994 1 147 . 1 . 1 14 14 VAL HG22 H 1 0.962 0 . 2 . . . . . 14 VAL MG2 . 51994 1 148 . 1 . 1 14 14 VAL HG23 H 1 0.962 0 . 2 . . . . . 14 VAL MG2 . 51994 1 149 . 1 . 1 14 14 VAL C C 13 177 0 . 1 . . . . . 14 VAL C . 51994 1 150 . 1 . 1 14 14 VAL CA C 13 60.85 0 . 1 . . . . . 14 VAL CA . 51994 1 151 . 1 . 1 14 14 VAL CB C 13 33.94 0 . 1 . . . . . 14 VAL CB . 51994 1 152 . 1 . 1 14 14 VAL CG1 C 13 21.3 0 . 2 . . . . . 14 VAL CG1 . 51994 1 153 . 1 . 1 14 14 VAL CG2 C 13 21.3 0 . 2 . . . . . 14 VAL CG2 . 51994 1 154 . 1 . 1 14 14 VAL N N 15 115.844 0 . 1 . . . . . 14 VAL N . 51994 1 155 . 1 . 1 15 15 THR H H 1 8.926 0 . 1 . . . . . 15 THR H . 51994 1 156 . 1 . 1 15 15 THR HA H 1 4.581 0 . 1 . . . . . 15 THR HA . 51994 1 157 . 1 . 1 15 15 THR HB H 1 4.265 0 . 1 . . . . . 15 THR HB . 51994 1 158 . 1 . 1 15 15 THR HG1 H 1 4.842 0 . 1 . . . . . 15 THR HG1 . 51994 1 159 . 1 . 1 15 15 THR HG21 H 1 0.954 0 . 1 . . . . . 15 THR MG . 51994 1 160 . 1 . 1 15 15 THR HG22 H 1 0.954 0 . 1 . . . . . 15 THR MG . 51994 1 161 . 1 . 1 15 15 THR HG23 H 1 0.954 0 . 1 . . . . . 15 THR MG . 51994 1 162 . 1 . 1 15 15 THR C C 13 177.85 0 . 1 . . . . . 15 THR C . 51994 1 163 . 1 . 1 15 15 THR CA C 13 61.82 0 . 1 . . . . . 15 THR CA . 51994 1 164 . 1 . 1 15 15 THR CB C 13 68.96 0 . 1 . . . . . 15 THR CB . 51994 1 165 . 1 . 1 15 15 THR CG2 C 13 20.52 0 . 1 . . . . . 15 THR CG2 . 51994 1 166 . 1 . 1 15 15 THR N N 15 126.452 0 . 1 . . . . . 15 THR N . 51994 1 167 . 1 . 1 16 16 ASP H H 1 9.491 0 . 1 . . . . . 16 ASP H . 51994 1 168 . 1 . 1 16 16 ASP HA H 1 5.772 0 . 1 . . . . . 16 ASP HA . 51994 1 169 . 1 . 1 16 16 ASP HB2 H 1 2.053 0 . 2 . . . . . 16 ASP HB2 . 51994 1 170 . 1 . 1 16 16 ASP HB3 H 1 3.012 0 . 2 . . . . . 16 ASP HB3 . 51994 1 171 . 1 . 1 16 16 ASP C C 13 173.62 0 . 1 . . . . . 16 ASP C . 51994 1 172 . 1 . 1 16 16 ASP CA C 13 51.6 0 . 1 . . . . . 16 ASP CA . 51994 1 173 . 1 . 1 16 16 ASP CB C 13 40.96 0 . 1 . . . . . 16 ASP CB . 51994 1 174 . 1 . 1 16 16 ASP N N 15 128.053 0 . 1 . . . . . 16 ASP N . 51994 1 175 . 1 . 1 17 17 LEU H H 1 8.115 0 . 1 . . . . . 17 LEU H . 51994 1 176 . 1 . 1 17 17 LEU HA H 1 4.388 0 . 1 . . . . . 17 LEU HA . 51994 1 177 . 1 . 1 17 17 LEU HB2 H 1 2.635 0 . 2 . . . . . 17 LEU HB2 . 51994 1 178 . 1 . 1 17 17 LEU HB3 H 1 2.635 0 . 2 . . . . . 17 LEU HB3 . 51994 1 179 . 1 . 1 17 17 LEU HG H 1 1.667 0 . 1 . . . . . 17 LEU HG . 51994 1 180 . 1 . 1 17 17 LEU HD11 H 1 0.905 0 . 2 . . . . . 17 LEU MD1 . 51994 1 181 . 1 . 1 17 17 LEU HD12 H 1 0.905 0 . 2 . . . . . 17 LEU MD1 . 51994 1 182 . 1 . 1 17 17 LEU HD13 H 1 0.905 0 . 2 . . . . . 17 LEU MD1 . 51994 1 183 . 1 . 1 17 17 LEU HD21 H 1 0.905 0 . 2 . . . . . 17 LEU MD2 . 51994 1 184 . 1 . 1 17 17 LEU HD22 H 1 0.905 0 . 2 . . . . . 17 LEU MD2 . 51994 1 185 . 1 . 1 17 17 LEU HD23 H 1 0.905 0 . 2 . . . . . 17 LEU MD2 . 51994 1 186 . 1 . 1 17 17 LEU C C 13 172.66 0 . 1 . . . . . 17 LEU C . 51994 1 187 . 1 . 1 17 17 LEU CA C 13 57.27 0 . 1 . . . . . 17 LEU CA . 51994 1 188 . 1 . 1 17 17 LEU CB C 13 40.6 0 . 1 . . . . . 17 LEU CB . 51994 1 189 . 1 . 1 17 17 LEU CG C 13 25.57 0 . 1 . . . . . 17 LEU CG . 51994 1 190 . 1 . 1 17 17 LEU CD1 C 13 21.82 0 . 2 . . . . . 17 LEU CD1 . 51994 1 191 . 1 . 1 17 17 LEU CD2 C 13 21.82 0 . 2 . . . . . 17 LEU CD2 . 51994 1 192 . 1 . 1 17 17 LEU N N 15 123.278 0 . 1 . . . . . 17 LEU N . 51994 1 193 . 1 . 1 18 18 ALA H H 1 8.134 0 . 1 . . . . . 18 ALA H . 51994 1 194 . 1 . 1 18 18 ALA HA H 1 4.132 0 . 1 . . . . . 18 ALA HA . 51994 1 195 . 1 . 1 18 18 ALA HB1 H 1 0.97 0 . 1 . . . . . 18 ALA MB . 51994 1 196 . 1 . 1 18 18 ALA HB2 H 1 0.97 0 . 1 . . . . . 18 ALA MB . 51994 1 197 . 1 . 1 18 18 ALA HB3 H 1 0.97 0 . 1 . . . . . 18 ALA MB . 51994 1 198 . 1 . 1 18 18 ALA C C 13 176.89 0 . 1 . . . . . 18 ALA C . 51994 1 199 . 1 . 1 18 18 ALA CA C 13 51.12 0 . 1 . . . . . 18 ALA CA . 51994 1 200 . 1 . 1 18 18 ALA CB C 13 18.72 0 . 1 . . . . . 18 ALA CB . 51994 1 201 . 1 . 1 18 18 ALA N N 15 118.623 0 . 1 . . . . . 18 ALA N . 51994 1 202 . 1 . 1 19 19 ASP H H 1 7.342 0 . 1 . . . . . 19 ASP H . 51994 1 203 . 1 . 1 19 19 ASP HA H 1 4.468 0 . 1 . . . . . 19 ASP HA . 51994 1 204 . 1 . 1 19 19 ASP HB2 H 1 2.977 0 . 2 . . . . . 19 ASP HB2 . 51994 1 205 . 1 . 1 19 19 ASP HB3 H 1 2.313 0 . 2 . . . . . 19 ASP HB3 . 51994 1 206 . 1 . 1 19 19 ASP C C 13 176.7 0 . 1 . . . . . 19 ASP C . 51994 1 207 . 1 . 1 19 19 ASP CA C 13 55.12 0 . 1 . . . . . 19 ASP CA . 51994 1 208 . 1 . 1 19 19 ASP CB C 13 38.51 0 . 1 . . . . . 19 ASP CB . 51994 1 209 . 1 . 1 19 19 ASP N N 15 116.51 0 . 1 . . . . . 19 ASP N . 51994 1 210 . 1 . 1 20 20 LEU H H 1 9.59 0 . 1 . . . . . 20 LEU H . 51994 1 211 . 1 . 1 20 20 LEU HA H 1 4.02 0 . 1 . . . . . 20 LEU HA . 51994 1 212 . 1 . 1 20 20 LEU HB2 H 1 1.056 0 . 2 . . . . . 20 LEU HB2 . 51994 1 213 . 1 . 1 20 20 LEU HB3 H 1 1.056 0 . 2 . . . . . 20 LEU HB3 . 51994 1 214 . 1 . 1 20 20 LEU HG H 1 1.23 0 . 1 . . . . . 20 LEU HG . 51994 1 215 . 1 . 1 20 20 LEU HD11 H 1 0.082 0 . 2 . . . . . 20 LEU MD1 . 51994 1 216 . 1 . 1 20 20 LEU HD12 H 1 0.082 0 . 2 . . . . . 20 LEU MD1 . 51994 1 217 . 1 . 1 20 20 LEU HD13 H 1 0.082 0 . 2 . . . . . 20 LEU MD1 . 51994 1 218 . 1 . 1 20 20 LEU HD21 H 1 0.082 0 . 2 . . . . . 20 LEU MD2 . 51994 1 219 . 1 . 1 20 20 LEU HD22 H 1 0.082 0 . 2 . . . . . 20 LEU MD2 . 51994 1 220 . 1 . 1 20 20 LEU HD23 H 1 0.082 0 . 2 . . . . . 20 LEU MD2 . 51994 1 221 . 1 . 1 20 20 LEU C C 13 174.36 0 . 1 . . . . . 20 LEU C . 51994 1 222 . 1 . 1 20 20 LEU CA C 13 55.59 0 . 1 . . . . . 20 LEU CA . 51994 1 223 . 1 . 1 20 20 LEU CB C 13 43.3 0 . 1 . . . . . 20 LEU CB . 51994 1 224 . 1 . 1 20 20 LEU CG C 13 24.4 0 . 1 . . . . . 20 LEU CG . 51994 1 225 . 1 . 1 20 20 LEU CD1 C 13 20.65 0 . 2 . . . . . 20 LEU CD1 . 51994 1 226 . 1 . 1 20 20 LEU CD2 C 13 20.65 0 . 2 . . . . . 20 LEU CD2 . 51994 1 227 . 1 . 1 20 20 LEU N N 15 118.879 0 . 1 . . . . . 20 LEU N . 51994 1 228 . 1 . 1 21 21 LEU H H 1 9.183 0 . 1 . . . . . 21 LEU H . 51994 1 229 . 1 . 1 21 21 LEU HA H 1 5.058 0 . 1 . . . . . 21 LEU HA . 51994 1 230 . 1 . 1 21 21 LEU HB2 H 1 1.861 0 . 2 . . . . . 21 LEU HB2 . 51994 1 231 . 1 . 1 21 21 LEU HB3 H 1 1.861 0 . 2 . . . . . 21 LEU HB3 . 51994 1 232 . 1 . 1 21 21 LEU HG H 1 1.556 0 . 1 . . . . . 21 LEU HG . 51994 1 233 . 1 . 1 21 21 LEU HD11 H 1 0.954 0 . 2 . . . . . 21 LEU MD1 . 51994 1 234 . 1 . 1 21 21 LEU HD12 H 1 0.954 0 . 2 . . . . . 21 LEU MD1 . 51994 1 235 . 1 . 1 21 21 LEU HD13 H 1 0.954 0 . 2 . . . . . 21 LEU MD1 . 51994 1 236 . 1 . 1 21 21 LEU HD21 H 1 0.954 0 . 2 . . . . . 21 LEU MD2 . 51994 1 237 . 1 . 1 21 21 LEU HD22 H 1 0.954 0 . 2 . . . . . 21 LEU MD2 . 51994 1 238 . 1 . 1 21 21 LEU HD23 H 1 0.954 0 . 2 . . . . . 21 LEU MD2 . 51994 1 239 . 1 . 1 21 21 LEU C C 13 174.16 0 . 1 . . . . . 21 LEU C . 51994 1 240 . 1 . 1 21 21 LEU CA C 13 52.7 0 . 1 . . . . . 21 LEU CA . 51994 1 241 . 1 . 1 21 21 LEU CB C 13 45.2 0 . 1 . . . . . 21 LEU CB . 51994 1 242 . 1 . 1 21 21 LEU CG C 13 25.89 0 . 1 . . . . . 21 LEU CG . 51994 1 243 . 1 . 1 21 21 LEU CD1 C 13 22.6 0 . 2 . . . . . 21 LEU CD1 . 51994 1 244 . 1 . 1 21 21 LEU CD2 C 13 22.6 0 . 2 . . . . . 21 LEU CD2 . 51994 1 245 . 1 . 1 21 21 LEU N N 15 118.655 0 . 1 . . . . . 21 LEU N . 51994 1 246 . 1 . 1 22 22 THR H H 1 9.573 0 . 1 . . . . . 22 THR H . 51994 1 247 . 1 . 1 22 22 THR HA H 1 4.597 0 . 1 . . . . . 22 THR HA . 51994 1 248 . 1 . 1 22 22 THR HB H 1 4.761 0 . 1 . . . . . 22 THR HB . 51994 1 249 . 1 . 1 22 22 THR HG21 H 1 1.45 0 . 1 . . . . . 22 THR MG . 51994 1 250 . 1 . 1 22 22 THR HG22 H 1 1.45 0 . 1 . . . . . 22 THR MG . 51994 1 251 . 1 . 1 22 22 THR HG23 H 1 1.45 0 . 1 . . . . . 22 THR MG . 51994 1 252 . 1 . 1 22 22 THR C C 13 174.13 0 . 1 . . . . . 22 THR C . 51994 1 253 . 1 . 1 22 22 THR CA C 13 60.9 0 . 1 . . . . . 22 THR CA . 51994 1 254 . 1 . 1 22 22 THR CB C 13 67.8 0 . 1 . . . . . 22 THR CB . 51994 1 255 . 1 . 1 22 22 THR CG2 C 13 20.013 0 . 1 . . . . . 22 THR CG2 . 51994 1 256 . 1 . 1 22 22 THR N N 15 117.904 0 . 1 . . . . . 22 THR N . 51994 1 257 . 1 . 1 23 23 PRO C C 13 172.08 0 . 1 . . . . . 23 PRO C . 51994 1 258 . 1 . 1 23 23 PRO CA C 13 65.53 0 . 1 . . . . . 23 PRO CA . 51994 1 259 . 1 . 1 23 23 PRO CB C 13 31.62 0 . 1 . . . . . 23 PRO CB . 51994 1 260 . 1 . 1 24 24 ALA H H 1 8.19 0 . 1 . . . . . 24 ALA H . 51994 1 261 . 1 . 1 24 24 ALA HA H 1 4.116 0 . 1 . . . . . 24 ALA HA . 51994 1 262 . 1 . 1 24 24 ALA HB1 H 1 1.393 0 . 1 . . . . . 24 ALA MB . 51994 1 263 . 1 . 1 24 24 ALA HB2 H 1 1.393 0 . 1 . . . . . 24 ALA MB . 51994 1 264 . 1 . 1 24 24 ALA HB3 H 1 1.393 0 . 1 . . . . . 24 ALA MB . 51994 1 265 . 1 . 1 24 24 ALA C C 13 170.82 0 . 1 . . . . . 24 ALA C . 51994 1 266 . 1 . 1 24 24 ALA CA C 13 55.42 0 . 1 . . . . . 24 ALA CA . 51994 1 267 . 1 . 1 24 24 ALA CB C 13 18.63 0 . 1 . . . . . 24 ALA CB . 51994 1 268 . 1 . 1 24 24 ALA N N 15 118.215 0 . 1 . . . . . 24 ALA N . 51994 1 269 . 1 . 1 25 25 GLU H H 1 7.646 0 . 1 . . . . . 25 GLU H . 51994 1 270 . 1 . 1 25 25 GLU HA H 1 4.078 0 . 1 . . . . . 25 GLU HA . 51994 1 271 . 1 . 1 25 25 GLU HB2 H 1 2.036 0 . 2 . . . . . 25 GLU HB2 . 51994 1 272 . 1 . 1 25 25 GLU HB3 H 1 2.036 0 . 2 . . . . . 25 GLU HB3 . 51994 1 273 . 1 . 1 25 25 GLU HG2 H 1 2.474 0 . 2 . . . . . 25 GLU HG2 . 51994 1 274 . 1 . 1 25 25 GLU HG3 H 1 2.474 0 . 2 . . . . . 25 GLU HG3 . 51994 1 275 . 1 . 1 25 25 GLU HE2 H 1 3.643 0 . 1 . . . . . 25 GLU HE2 . 51994 1 276 . 1 . 1 25 25 GLU C C 13 172.07 0 . 1 . . . . . 25 GLU C . 51994 1 277 . 1 . 1 25 25 GLU CA C 13 58.99 0 . 1 . . . . . 25 GLU CA . 51994 1 278 . 1 . 1 25 25 GLU CB C 13 30.52 0 . 1 . . . . . 25 GLU CB . 51994 1 279 . 1 . 1 25 25 GLU CG C 13 36.56 0 . 1 . . . . . 25 GLU CG . 51994 1 280 . 1 . 1 25 25 GLU N N 15 119.595 0 . 1 . . . . . 25 GLU N . 51994 1 281 . 1 . 1 26 26 GLU H H 1 8.873 0 . 1 . . . . . 26 GLU H . 51994 1 282 . 1 . 1 26 26 GLU HA H 1 4.175 0 . 1 . . . . . 26 GLU HA . 51994 1 283 . 1 . 1 26 26 GLU HB2 H 1 2.093 0 . 2 . . . . . 26 GLU HB2 . 51994 1 284 . 1 . 1 26 26 GLU HB3 H 1 2.093 0 . 2 . . . . . 26 GLU HB3 . 51994 1 285 . 1 . 1 26 26 GLU HG2 H 1 2.402 0 . 2 . . . . . 26 GLU HG2 . 51994 1 286 . 1 . 1 26 26 GLU HG3 H 1 2.402 0 . 2 . . . . . 26 GLU HG3 . 51994 1 287 . 1 . 1 26 26 GLU HE2 H 1 3.671 0 . 1 . . . . . 26 GLU HE2 . 51994 1 288 . 1 . 1 26 26 GLU C C 13 171.54 0 . 1 . . . . . 26 GLU C . 51994 1 289 . 1 . 1 26 26 GLU CA C 13 61.27 0 . 1 . . . . . 26 GLU CA . 51994 1 290 . 1 . 1 26 26 GLU CB C 13 29.68 0 . 1 . . . . . 26 GLU CB . 51994 1 291 . 1 . 1 26 26 GLU CG C 13 37.64 0 . 1 . . . . . 26 GLU CG . 51994 1 292 . 1 . 1 26 26 GLU N N 15 118.34 0 . 1 . . . . . 26 GLU N . 51994 1 293 . 1 . 1 27 27 ARG H H 1 8.237 0 . 1 . . . . . 27 ARG H . 51994 1 294 . 1 . 1 27 27 ARG HA H 1 4.255 0 . 1 . . . . . 27 ARG HA . 51994 1 295 . 1 . 1 27 27 ARG HB2 H 1 2.075 0 . 2 . . . . . 27 ARG HB2 . 51994 1 296 . 1 . 1 27 27 ARG HB3 H 1 2.075 0 . 2 . . . . . 27 ARG HB3 . 51994 1 297 . 1 . 1 27 27 ARG HG2 H 1 1.507 0 . 2 . . . . . 27 ARG HG2 . 51994 1 298 . 1 . 1 27 27 ARG HG3 H 1 1.507 0 . 2 . . . . . 27 ARG HG3 . 51994 1 299 . 1 . 1 27 27 ARG HD2 H 1 3.38 0 . 2 . . . . . 27 ARG HD2 . 51994 1 300 . 1 . 1 27 27 ARG HD3 H 1 3.38 0 . 2 . . . . . 27 ARG HD3 . 51994 1 301 . 1 . 1 27 27 ARG C C 13 172.23 0 . 1 . . . . . 27 ARG C . 51994 1 302 . 1 . 1 27 27 ARG CA C 13 59.96 0 . 1 . . . . . 27 ARG CA . 51994 1 303 . 1 . 1 27 27 ARG CB C 13 30.39 0 . 1 . . . . . 27 ARG CB . 51994 1 304 . 1 . 1 27 27 ARG CG C 13 26.78 0 . 1 . . . . . 27 ARG CG . 51994 1 305 . 1 . 1 27 27 ARG CD C 13 43.18 0 . 1 . . . . . 27 ARG CD . 51994 1 306 . 1 . 1 27 27 ARG N N 15 120.684 0 . 1 . . . . . 27 ARG N . 51994 1 307 . 1 . 1 28 28 MET H H 1 8.188 0 . 1 . . . . . 28 MET H . 51994 1 308 . 1 . 1 28 28 MET HA H 1 4.25 0 . 1 . . . . . 28 MET HA . 51994 1 309 . 1 . 1 28 28 MET HB2 H 1 2.092 0 . 2 . . . . . 28 MET HB2 . 51994 1 310 . 1 . 1 28 28 MET HB3 H 1 2.092 0 . 2 . . . . . 28 MET HB3 . 51994 1 311 . 1 . 1 28 28 MET HG2 H 1 2.36 0 . 2 . . . . . 28 MET HG2 . 51994 1 312 . 1 . 1 28 28 MET HG3 H 1 2.36 0 . 2 . . . . . 28 MET HG3 . 51994 1 313 . 1 . 1 28 28 MET HE1 H 1 1.982 0 . 1 . . . . . 28 MET ME . 51994 1 314 . 1 . 1 28 28 MET HE2 H 1 1.982 0 . 1 . . . . . 28 MET ME . 51994 1 315 . 1 . 1 28 28 MET HE3 H 1 1.982 0 . 1 . . . . . 28 MET ME . 51994 1 316 . 1 . 1 28 28 MET C C 13 171.33 0 . 1 . . . . . 28 MET C . 51994 1 317 . 1 . 1 28 28 MET CA C 13 59.57 0 . 1 . . . . . 28 MET CA . 51994 1 318 . 1 . 1 28 28 MET CB C 13 32.9 0 . 1 . . . . . 28 MET CB . 51994 1 319 . 1 . 1 28 28 MET CE C 13 16.548 0 . 1 . . . . . 28 MET CE . 51994 1 320 . 1 . 1 28 28 MET N N 15 119.093 0 . 1 . . . . . 28 MET N . 51994 1 321 . 1 . 1 29 29 LEU H H 1 8.642 0 . 1 . . . . . 29 LEU H . 51994 1 322 . 1 . 1 29 29 LEU HA H 1 4.283 0 . 1 . . . . . 29 LEU HA . 51994 1 323 . 1 . 1 29 29 LEU HB2 H 1 2.143 0 . 2 . . . . . 29 LEU HB2 . 51994 1 324 . 1 . 1 29 29 LEU HB3 H 1 2.143 0 . 2 . . . . . 29 LEU HB3 . 51994 1 325 . 1 . 1 29 29 LEU HG H 1 1.561 0 . 1 . . . . . 29 LEU HG . 51994 1 326 . 1 . 1 29 29 LEU HD11 H 1 0.915 0 . 2 . . . . . 29 LEU MD1 . 51994 1 327 . 1 . 1 29 29 LEU HD12 H 1 0.915 0 . 2 . . . . . 29 LEU MD1 . 51994 1 328 . 1 . 1 29 29 LEU HD13 H 1 0.915 0 . 2 . . . . . 29 LEU MD1 . 51994 1 329 . 1 . 1 29 29 LEU HD21 H 1 0.915 0 . 2 . . . . . 29 LEU MD2 . 51994 1 330 . 1 . 1 29 29 LEU HD22 H 1 0.915 0 . 2 . . . . . 29 LEU MD2 . 51994 1 331 . 1 . 1 29 29 LEU HD23 H 1 0.915 0 . 2 . . . . . 29 LEU MD2 . 51994 1 332 . 1 . 1 29 29 LEU C C 13 173.28 0 . 1 . . . . . 29 LEU C . 51994 1 333 . 1 . 1 29 29 LEU CA C 13 58.07 0 . 1 . . . . . 29 LEU CA . 51994 1 334 . 1 . 1 29 29 LEU CB C 13 43.18 0 . 1 . . . . . 29 LEU CB . 51994 1 335 . 1 . 1 29 29 LEU CG C 13 24.92 0 . 1 . . . . . 29 LEU CG . 51994 1 336 . 1 . 1 29 29 LEU CD1 C 13 23.11 0 . 2 . . . . . 29 LEU CD1 . 51994 1 337 . 1 . 1 29 29 LEU CD2 C 13 23.11 0 . 2 . . . . . 29 LEU CD2 . 51994 1 338 . 1 . 1 29 29 LEU N N 15 120.11 0 . 1 . . . . . 29 LEU N . 51994 1 339 . 1 . 1 30 30 SER H H 1 8.784 0 . 1 . . . . . 30 SER H . 51994 1 340 . 1 . 1 30 30 SER HA H 1 4.245 0 . 1 . . . . . 30 SER HA . 51994 1 341 . 1 . 1 30 30 SER HB2 H 1 3.946 0 . 2 . . . . . 30 SER HB2 . 51994 1 342 . 1 . 1 30 30 SER HB3 H 1 3.946 0 . 2 . . . . . 30 SER HB3 . 51994 1 343 . 1 . 1 30 30 SER C C 13 173.28 0 . 1 . . . . . 30 SER C . 51994 1 344 . 1 . 1 30 30 SER CA C 13 63.68 0 . 1 . . . . . 30 SER CA . 51994 1 345 . 1 . 1 30 30 SER CB C 13 64.8 0 . 1 . . . . . 30 SER CB . 51994 1 346 . 1 . 1 30 30 SER N N 15 114.898 0 . 1 . . . . . 30 SER N . 51994 1 347 . 1 . 1 33 33 LEU H H 1 8.855 0 . 1 . . . . . 33 LEU H . 51994 1 348 . 1 . 1 33 33 LEU HA H 1 4.759 0 . 1 . . . . . 33 LEU HA . 51994 1 349 . 1 . 1 33 33 LEU HB2 H 1 1.825 0 . 2 . . . . . 33 LEU HB2 . 51994 1 350 . 1 . 1 33 33 LEU HB3 H 1 1.825 0 . 2 . . . . . 33 LEU HB3 . 51994 1 351 . 1 . 1 33 33 LEU HG H 1 1.536 0 . 1 . . . . . 33 LEU HG . 51994 1 352 . 1 . 1 33 33 LEU HD11 H 1 1.128 0 . 2 . . . . . 33 LEU MD1 . 51994 1 353 . 1 . 1 33 33 LEU HD12 H 1 1.128 0 . 2 . . . . . 33 LEU MD1 . 51994 1 354 . 1 . 1 33 33 LEU HD13 H 1 1.128 0 . 2 . . . . . 33 LEU MD1 . 51994 1 355 . 1 . 1 33 33 LEU HD21 H 1 1.128 0 . 2 . . . . . 33 LEU MD2 . 51994 1 356 . 1 . 1 33 33 LEU HD22 H 1 1.128 0 . 2 . . . . . 33 LEU MD2 . 51994 1 357 . 1 . 1 33 33 LEU HD23 H 1 1.128 0 . 2 . . . . . 33 LEU MD2 . 51994 1 358 . 1 . 1 33 33 LEU C C 13 172.47 0 . 1 . . . . . 33 LEU C . 51994 1 359 . 1 . 1 33 33 LEU CA C 13 57.85 0 . 1 . . . . . 33 LEU CA . 51994 1 360 . 1 . 1 33 33 LEU CB C 13 41.001 0 . 1 . . . . . 33 LEU CB . 51994 1 361 . 1 . 1 33 33 LEU CG C 13 25.184 0 . 1 . . . . . 33 LEU CG . 51994 1 362 . 1 . 1 33 33 LEU CD1 C 13 22.254 0 . 2 . . . . . 33 LEU CD1 . 51994 1 363 . 1 . 1 33 33 LEU CD2 C 13 22.254 0 . 2 . . . . . 33 LEU CD2 . 51994 1 364 . 1 . 1 33 33 LEU N N 15 122.845 0 . 1 . . . . . 33 LEU N . 51994 1 365 . 1 . 1 34 34 ALA H H 1 7.957 0 . 1 . . . . . 34 ALA H . 51994 1 366 . 1 . 1 34 34 ALA HA H 1 4.839 0 . 1 . . . . . 34 ALA HA . 51994 1 367 . 1 . 1 34 34 ALA HB1 H 1 1.202 0 . 1 . . . . . 34 ALA MB . 51994 1 368 . 1 . 1 34 34 ALA HB2 H 1 1.202 0 . 1 . . . . . 34 ALA MB . 51994 1 369 . 1 . 1 34 34 ALA HB3 H 1 1.202 0 . 1 . . . . . 34 ALA MB . 51994 1 370 . 1 . 1 34 34 ALA C C 13 171.16 0 . 1 . . . . . 34 ALA C . 51994 1 371 . 1 . 1 34 34 ALA CA C 13 55.02 0 . 1 . . . . . 34 ALA CA . 51994 1 372 . 1 . 1 34 34 ALA CB C 13 17.73 0 . 1 . . . . . 34 ALA CB . 51994 1 373 . 1 . 1 34 34 ALA N N 15 122.562 0 . 1 . . . . . 34 ALA N . 51994 1 374 . 1 . 1 35 35 THR H H 1 7.898 0 . 1 . . . . . 35 THR H . 51994 1 375 . 1 . 1 35 35 THR HA H 1 4.169 0 . 1 . . . . . 35 THR HA . 51994 1 376 . 1 . 1 35 35 THR HB H 1 3.882 0 . 1 . . . . . 35 THR HB . 51994 1 377 . 1 . 1 35 35 THR HG1 H 1 4.999 0 . 1 . . . . . 35 THR HG1 . 51994 1 378 . 1 . 1 35 35 THR HG21 H 1 1.18 0 . 1 . . . . . 35 THR MG . 51994 1 379 . 1 . 1 35 35 THR HG22 H 1 1.18 0 . 1 . . . . . 35 THR MG . 51994 1 380 . 1 . 1 35 35 THR HG23 H 1 1.18 0 . 1 . . . . . 35 THR MG . 51994 1 381 . 1 . 1 35 35 THR C C 13 174.09 0 . 1 . . . . . 35 THR C . 51994 1 382 . 1 . 1 35 35 THR CA C 13 66.66 0 . 1 . . . . . 35 THR CA . 51994 1 383 . 1 . 1 35 35 THR CB C 13 68.6 0 . 1 . . . . . 35 THR CB . 51994 1 384 . 1 . 1 35 35 THR CG2 C 13 23.86 0 . 1 . . . . . 35 THR CG2 . 51994 1 385 . 1 . 1 35 35 THR N N 15 113.634 0 . 1 . . . . . 35 THR N . 51994 1 386 . 1 . 1 36 36 TYR H H 1 7.98 0 . 1 . . . . . 36 TYR H . 51994 1 387 . 1 . 1 36 36 TYR HA H 1 4.069 0 . 1 . . . . . 36 TYR HA . 51994 1 388 . 1 . 1 36 36 TYR HB2 H 1 2.983 0 . 2 . . . . . 36 TYR HB2 . 51994 1 389 . 1 . 1 36 36 TYR HB3 H 1 2.82 0 . 2 . . . . . 36 TYR HB3 . 51994 1 390 . 1 . 1 36 36 TYR HD1 H 1 7.06 0 . 3 . . . . . 36 TYR HD1 . 51994 1 391 . 1 . 1 36 36 TYR HD2 H 1 7.06 0 . 3 . . . . . 36 TYR HD2 . 51994 1 392 . 1 . 1 36 36 TYR HE1 H 1 6.74 0 . 3 . . . . . 36 TYR HE1 . 51994 1 393 . 1 . 1 36 36 TYR HE2 H 1 6.74 0 . 3 . . . . . 36 TYR HE2 . 51994 1 394 . 1 . 1 36 36 TYR C C 13 172.147 0 . 1 . . . . . 36 TYR C . 51994 1 395 . 1 . 1 36 36 TYR CA C 13 61.422 0 . 1 . . . . . 36 TYR CA . 51994 1 396 . 1 . 1 36 36 TYR CB C 13 37.453 0 . 1 . . . . . 36 TYR CB . 51994 1 397 . 1 . 1 36 36 TYR CD1 C 13 132.166 0 . 3 . . . . . 36 TYR CD1 . 51994 1 398 . 1 . 1 36 36 TYR CD2 C 13 132.166 0 . 3 . . . . . 36 TYR CD2 . 51994 1 399 . 1 . 1 36 36 TYR CE1 C 13 119.04 0 . 3 . . . . . 36 TYR CE1 . 51994 1 400 . 1 . 1 36 36 TYR CE2 C 13 119.04 0 . 3 . . . . . 36 TYR CE2 . 51994 1 401 . 1 . 1 36 36 TYR N N 15 122.243 0 . 1 . . . . . 36 TYR N . 51994 1 402 . 1 . 1 37 37 ALA H H 1 8.134 0 . 1 . . . . . 37 ALA H . 51994 1 403 . 1 . 1 37 37 ALA HA H 1 4.17 0 . 1 . . . . . 37 ALA HA . 51994 1 404 . 1 . 1 37 37 ALA HB1 H 1 1.445 0 . 1 . . . . . 37 ALA MB . 51994 1 405 . 1 . 1 37 37 ALA HB2 H 1 1.445 0 . 1 . . . . . 37 ALA MB . 51994 1 406 . 1 . 1 37 37 ALA HB3 H 1 1.445 0 . 1 . . . . . 37 ALA MB . 51994 1 407 . 1 . 1 37 37 ALA C C 13 171.24 0 . 1 . . . . . 37 ALA C . 51994 1 408 . 1 . 1 37 37 ALA CA C 13 55.66 0 . 1 . . . . . 37 ALA CA . 51994 1 409 . 1 . 1 37 37 ALA CB C 13 18.72 0 . 1 . . . . . 37 ALA CB . 51994 1 410 . 1 . 1 37 37 ALA N N 15 124.766 0 . 1 . . . . . 37 ALA N . 51994 1 411 . 1 . 1 38 38 ASP H H 1 8.044 0 . 1 . . . . . 38 ASP H . 51994 1 412 . 1 . 1 38 38 ASP HA H 1 4.669 0 . 1 . . . . . 38 ASP HA . 51994 1 413 . 1 . 1 38 38 ASP HB2 H 1 2.959 0 . 2 . . . . . 38 ASP HB2 . 51994 1 414 . 1 . 1 38 38 ASP HB3 H 1 2.959 0 . 2 . . . . . 38 ASP HB3 . 51994 1 415 . 1 . 1 38 38 ASP C C 13 173.43 0 . 1 . . . . . 38 ASP C . 51994 1 416 . 1 . 1 38 38 ASP CA C 13 57.33 0 . 1 . . . . . 38 ASP CA . 51994 1 417 . 1 . 1 38 38 ASP CB C 13 41.45 0 . 1 . . . . . 38 ASP CB . 51994 1 418 . 1 . 1 38 38 ASP N N 15 117.53 0 . 1 . . . . . 38 ASP N . 51994 1 419 . 1 . 1 39 39 THR H H 1 7.914 0 . 1 . . . . . 39 THR H . 51994 1 420 . 1 . 1 39 39 THR HA H 1 4.392 0 . 1 . . . . . 39 THR HA . 51994 1 421 . 1 . 1 39 39 THR HB H 1 4.133 0 . 1 . . . . . 39 THR HB . 51994 1 422 . 1 . 1 39 39 THR HG21 H 1 1.282 0 . 1 . . . . . 39 THR MG . 51994 1 423 . 1 . 1 39 39 THR HG22 H 1 1.282 0 . 1 . . . . . 39 THR MG . 51994 1 424 . 1 . 1 39 39 THR HG23 H 1 1.282 0 . 1 . . . . . 39 THR MG . 51994 1 425 . 1 . 1 39 39 THR C C 13 174.97 0 . 1 . . . . . 39 THR C . 51994 1 426 . 1 . 1 39 39 THR CA C 13 64.47 0 . 1 . . . . . 39 THR CA . 51994 1 427 . 1 . 1 39 39 THR CB C 13 70.45 0 . 1 . . . . . 39 THR CB . 51994 1 428 . 1 . 1 39 39 THR CG2 C 13 21.506 0 . 1 . . . . . 39 THR CG2 . 51994 1 429 . 1 . 1 39 39 THR N N 15 108.599 0 . 1 . . . . . 39 THR N . 51994 1 430 . 1 . 1 40 40 THR H H 1 8.016 0 . 1 . . . . . 40 THR H . 51994 1 431 . 1 . 1 40 40 THR HA H 1 4.711 0 . 1 . . . . . 40 THR HA . 51994 1 432 . 1 . 1 40 40 THR HB H 1 4.301 0 . 1 . . . . . 40 THR HB . 51994 1 433 . 1 . 1 40 40 THR HG21 H 1 1.25 0 . 1 . . . . . 40 THR MG . 51994 1 434 . 1 . 1 40 40 THR HG22 H 1 1.25 0 . 1 . . . . . 40 THR MG . 51994 1 435 . 1 . 1 40 40 THR HG23 H 1 1.25 0 . 1 . . . . . 40 THR MG . 51994 1 436 . 1 . 1 40 40 THR C C 13 176.02 0 . 1 . . . . . 40 THR C . 51994 1 437 . 1 . 1 40 40 THR CA C 13 62.6 0 . 1 . . . . . 40 THR CA . 51994 1 438 . 1 . 1 40 40 THR CB C 13 72.69 0 . 1 . . . . . 40 THR CB . 51994 1 439 . 1 . 1 40 40 THR CG2 C 13 21.14 0 . 1 . . . . . 40 THR CG2 . 51994 1 440 . 1 . 1 40 40 THR N N 15 109.848 0 . 1 . . . . . 40 THR N . 51994 1 441 . 1 . 1 41 41 SER H H 1 8.354 0 . 1 . . . . . 41 SER H . 51994 1 442 . 1 . 1 41 41 SER HA H 1 4.531 0 . 1 . . . . . 41 SER HA . 51994 1 443 . 1 . 1 41 41 SER HB2 H 1 4.197 0 . 2 . . . . . 41 SER HB2 . 51994 1 444 . 1 . 1 41 41 SER HB3 H 1 4.197 0 . 2 . . . . . 41 SER HB3 . 51994 1 445 . 1 . 1 41 41 SER HG H 1 5.376 0 . 1 . . . . . 41 SER HG . 51994 1 446 . 1 . 1 41 41 SER C C 13 178.080 0 . 1 . . . . . 41 SER C . 51994 1 447 . 1 . 1 41 41 SER CA C 13 60.69 0 . 1 . . . . . 41 SER CA . 51994 1 448 . 1 . 1 41 41 SER CB C 13 63.72 0 . 1 . . . . . 41 SER CB . 51994 1 449 . 1 . 1 41 41 SER N N 15 117.053 0 . 1 . . . . . 41 SER N . 51994 1 450 . 1 . 1 42 42 THR H H 1 7.57 0 . 1 . . . . . 42 THR H . 51994 1 451 . 1 . 1 42 42 THR HA H 1 4.693 0 . 1 . . . . . 42 THR HA . 51994 1 452 . 1 . 1 42 42 THR HB H 1 3.853 0 . 1 . . . . . 42 THR HB . 51994 1 453 . 1 . 1 42 42 THR HG21 H 1 0.977 0 . 1 . . . . . 42 THR MG . 51994 1 454 . 1 . 1 42 42 THR HG22 H 1 0.977 0 . 1 . . . . . 42 THR MG . 51994 1 455 . 1 . 1 42 42 THR HG23 H 1 0.977 0 . 1 . . . . . 42 THR MG . 51994 1 456 . 1 . 1 42 42 THR C C 13 179.09 0 . 1 . . . . . 42 THR C . 51994 1 457 . 1 . 1 42 42 THR CA C 13 61.93 0 . 1 . . . . . 42 THR CA . 51994 1 458 . 1 . 1 42 42 THR CB C 13 69.26 0 . 1 . . . . . 42 THR CB . 51994 1 459 . 1 . 1 42 42 THR CG2 C 13 21.506 0 . 1 . . . . . 42 THR CG2 . 51994 1 460 . 1 . 1 42 42 THR N N 15 115.82 0 . 1 . . . . . 42 THR N . 51994 1 461 . 1 . 1 43 43 GLN H H 1 8.875 0 . 1 . . . . . 43 GLN H . 51994 1 462 . 1 . 1 43 43 GLN HA H 1 4.258 0 . 1 . . . . . 43 GLN HA . 51994 1 463 . 1 . 1 43 43 GLN HB2 H 1 2.11 0 . 2 . . . . . 43 GLN HB2 . 51994 1 464 . 1 . 1 43 43 GLN HB3 H 1 2.11 0 . 2 . . . . . 43 GLN HB3 . 51994 1 465 . 1 . 1 43 43 GLN HG2 H 1 2.358 0 . 2 . . . . . 43 GLN HG2 . 51994 1 466 . 1 . 1 43 43 GLN HG3 H 1 2.358 0 . 2 . . . . . 43 GLN HG3 . 51994 1 467 . 1 . 1 43 43 GLN HE21 H 1 7.534 0 . 2 . . . . . 43 GLN HE21 . 51994 1 468 . 1 . 1 43 43 GLN HE22 H 1 6.800 0 . 2 . . . . . 43 GLN HE22 . 51994 1 469 . 1 . 1 43 43 GLN C C 13 179.58 0 . 1 . . . . . 43 GLN C . 51994 1 470 . 1 . 1 43 43 GLN CA C 13 54.56 0 . 1 . . . . . 43 GLN CA . 51994 1 471 . 1 . 1 43 43 GLN CB C 13 29.17 0 . 1 . . . . . 43 GLN CB . 51994 1 472 . 1 . 1 43 43 GLN CG C 13 32.973 0 . 1 . . . . . 43 GLN CG . 51994 1 473 . 1 . 1 43 43 GLN N N 15 129.847 0 . 1 . . . . . 43 GLN N . 51994 1 474 . 1 . 1 43 43 GLN NE2 N 15 112.099 0 . 1 . . . . . 43 GLN NE2 . 51994 1 475 . 1 . 1 44 44 ILE H H 1 9.171 0 . 1 . . . . . 44 ILE H . 51994 1 476 . 1 . 1 44 44 ILE HA H 1 5.054 0 . 1 . . . . . 44 ILE HA . 51994 1 477 . 1 . 1 44 44 ILE HB H 1 2.084 0 . 1 . . . . . 44 ILE HB . 51994 1 478 . 1 . 1 44 44 ILE HG12 H 1 1.313 0 . 2 . . . . . 44 ILE HG12 . 51994 1 479 . 1 . 1 44 44 ILE HG13 H 1 1.313 0 . 2 . . . . . 44 ILE HG13 . 51994 1 480 . 1 . 1 44 44 ILE HG21 H 1 0.804 0 . 1 . . . . . 44 ILE MG . 51994 1 481 . 1 . 1 44 44 ILE HG22 H 1 0.804 0 . 1 . . . . . 44 ILE MG . 51994 1 482 . 1 . 1 44 44 ILE HG23 H 1 0.804 0 . 1 . . . . . 44 ILE MG . 51994 1 483 . 1 . 1 44 44 ILE HD11 H 1 0.804 0 . 1 . . . . . 44 ILE MD . 51994 1 484 . 1 . 1 44 44 ILE HD12 H 1 0.804 0 . 1 . . . . . 44 ILE MD . 51994 1 485 . 1 . 1 44 44 ILE HD13 H 1 0.804 0 . 1 . . . . . 44 ILE MD . 51994 1 486 . 1 . 1 44 44 ILE C C 13 177.37 0 . 1 . . . . . 44 ILE C . 51994 1 487 . 1 . 1 44 44 ILE CA C 13 60.45 0 . 1 . . . . . 44 ILE CA . 51994 1 488 . 1 . 1 44 44 ILE CB C 13 37.99 0 . 1 . . . . . 44 ILE CB . 51994 1 489 . 1 . 1 44 44 ILE N N 15 130.788 0 . 1 . . . . . 44 ILE N . 51994 1 490 . 1 . 1 45 45 VAL H H 1 8.217 0 . 1 . . . . . 45 VAL H . 51994 1 491 . 1 . 1 45 45 VAL HA H 1 5.54 0 . 1 . . . . . 45 VAL HA . 51994 1 492 . 1 . 1 45 45 VAL HB H 1 2.429 0 . 1 . . . . . 45 VAL HB . 51994 1 493 . 1 . 1 45 45 VAL HG11 H 1 0.836 0 . 2 . . . . . 45 VAL MG1 . 51994 1 494 . 1 . 1 45 45 VAL HG12 H 1 0.836 0 . 2 . . . . . 45 VAL MG1 . 51994 1 495 . 1 . 1 45 45 VAL HG13 H 1 0.836 0 . 2 . . . . . 45 VAL MG1 . 51994 1 496 . 1 . 1 45 45 VAL HG21 H 1 0.836 0 . 2 . . . . . 45 VAL MG2 . 51994 1 497 . 1 . 1 45 45 VAL HG22 H 1 0.836 0 . 2 . . . . . 45 VAL MG2 . 51994 1 498 . 1 . 1 45 45 VAL HG23 H 1 0.836 0 . 2 . . . . . 45 VAL MG2 . 51994 1 499 . 1 . 1 45 45 VAL C C 13 176.31 0 . 1 . . . . . 45 VAL C . 51994 1 500 . 1 . 1 45 45 VAL CA C 13 58.74 0 . 1 . . . . . 45 VAL CA . 51994 1 501 . 1 . 1 45 45 VAL CB C 13 34.48 0 . 1 . . . . . 45 VAL CB . 51994 1 502 . 1 . 1 45 45 VAL CG1 C 13 20.552 0 . 2 . . . . . 45 VAL CG1 . 51994 1 503 . 1 . 1 45 45 VAL CG2 C 13 20.552 0 . 2 . . . . . 45 VAL CG2 . 51994 1 504 . 1 . 1 45 45 VAL N N 15 113.588 0 . 1 . . . . . 45 VAL N . 51994 1 505 . 1 . 1 46 46 ILE H H 1 8.496 0 . 1 . . . . . 46 ILE H . 51994 1 506 . 1 . 1 46 46 ILE HA H 1 5.089 0 . 1 . . . . . 46 ILE HA . 51994 1 507 . 1 . 1 46 46 ILE HB H 1 1.952 0 . 1 . . . . . 46 ILE HB . 51994 1 508 . 1 . 1 46 46 ILE HG12 H 1 1.186 0 . 2 . . . . . 46 ILE HG12 . 51994 1 509 . 1 . 1 46 46 ILE HG13 H 1 1.186 0 . 2 . . . . . 46 ILE HG13 . 51994 1 510 . 1 . 1 46 46 ILE HG21 H 1 0.994 0 . 1 . . . . . 46 ILE MG . 51994 1 511 . 1 . 1 46 46 ILE HG22 H 1 0.994 0 . 1 . . . . . 46 ILE MG . 51994 1 512 . 1 . 1 46 46 ILE HG23 H 1 0.994 0 . 1 . . . . . 46 ILE MG . 51994 1 513 . 1 . 1 46 46 ILE HD11 H 1 0.744 0 . 1 . . . . . 46 ILE MD . 51994 1 514 . 1 . 1 46 46 ILE HD12 H 1 0.744 0 . 1 . . . . . 46 ILE MD . 51994 1 515 . 1 . 1 46 46 ILE HD13 H 1 0.744 0 . 1 . . . . . 46 ILE MD . 51994 1 516 . 1 . 1 46 46 ILE C C 13 176.15 0 . 1 . . . . . 46 ILE C . 51994 1 517 . 1 . 1 46 46 ILE CA C 13 60.09 0 . 1 . . . . . 46 ILE CA . 51994 1 518 . 1 . 1 46 46 ILE CB C 13 41.14 0 . 1 . . . . . 46 ILE CB . 51994 1 519 . 1 . 1 46 46 ILE CG1 C 13 27.673 0 . 1 . . . . . 46 ILE CG1 . 51994 1 520 . 1 . 1 46 46 ILE CG2 C 13 13.765 0 . 1 . . . . . 46 ILE CG2 . 51994 1 521 . 1 . 1 46 46 ILE CD1 C 13 15.028 0 . 1 . . . . . 46 ILE CD1 . 51994 1 522 . 1 . 1 46 46 ILE N N 15 119.776 0 . 1 . . . . . 46 ILE N . 51994 1 523 . 1 . 1 47 47 VAL H H 1 9.314 0 . 1 . . . . . 47 VAL H . 51994 1 524 . 1 . 1 47 47 VAL HA H 1 4.993 0 . 1 . . . . . 47 VAL HA . 51994 1 525 . 1 . 1 47 47 VAL HB H 1 1.889 0 . 1 . . . . . 47 VAL HB . 51994 1 526 . 1 . 1 47 47 VAL HG11 H 1 0.884 0 . 2 . . . . . 47 VAL MG1 . 51994 1 527 . 1 . 1 47 47 VAL HG12 H 1 0.884 0 . 2 . . . . . 47 VAL MG1 . 51994 1 528 . 1 . 1 47 47 VAL HG13 H 1 0.884 0 . 2 . . . . . 47 VAL MG1 . 51994 1 529 . 1 . 1 47 47 VAL HG21 H 1 0.884 0 . 2 . . . . . 47 VAL MG2 . 51994 1 530 . 1 . 1 47 47 VAL HG22 H 1 0.884 0 . 2 . . . . . 47 VAL MG2 . 51994 1 531 . 1 . 1 47 47 VAL HG23 H 1 0.884 0 . 2 . . . . . 47 VAL MG2 . 51994 1 532 . 1 . 1 47 47 VAL C C 13 177.11 0 . 1 . . . . . 47 VAL C . 51994 1 533 . 1 . 1 47 47 VAL CA C 13 61.1 0 . 1 . . . . . 47 VAL CA . 51994 1 534 . 1 . 1 47 47 VAL CB C 13 35.55 0 . 1 . . . . . 47 VAL CB . 51994 1 535 . 1 . 1 47 47 VAL CG1 C 13 20.915 0 . 2 . . . . . 47 VAL CG1 . 51994 1 536 . 1 . 1 47 47 VAL CG2 C 13 20.915 0 . 2 . . . . . 47 VAL CG2 . 51994 1 537 . 1 . 1 47 47 VAL N N 15 130.618 0 . 1 . . . . . 47 VAL N . 51994 1 538 . 1 . 1 48 48 THR H H 1 9.443 0 . 1 . . . . . 48 THR H . 51994 1 539 . 1 . 1 48 48 THR HA H 1 5.731 0 . 1 . . . . . 48 THR HA . 51994 1 540 . 1 . 1 48 48 THR HB H 1 4.072 0 . 1 . . . . . 48 THR HB . 51994 1 541 . 1 . 1 48 48 THR HG1 H 1 5.238 0 . 1 . . . . . 48 THR HG1 . 51994 1 542 . 1 . 1 48 48 THR HG21 H 1 1.154 0 . 1 . . . . . 48 THR MG . 51994 1 543 . 1 . 1 48 48 THR HG22 H 1 1.154 0 . 1 . . . . . 48 THR MG . 51994 1 544 . 1 . 1 48 48 THR HG23 H 1 1.154 0 . 1 . . . . . 48 THR MG . 51994 1 545 . 1 . 1 48 48 THR C C 13 179.6 0 . 1 . . . . . 48 THR C . 51994 1 546 . 1 . 1 48 48 THR CA C 13 57.57 0 . 1 . . . . . 48 THR CA . 51994 1 547 . 1 . 1 48 48 THR CB C 13 69.34 0 . 1 . . . . . 48 THR CB . 51994 1 548 . 1 . 1 48 48 THR CG2 C 13 19.757 0 . 1 . . . . . 48 THR CG2 . 51994 1 549 . 1 . 1 48 48 THR N N 15 117.735 0 . 1 . . . . . 48 THR N . 51994 1 550 . 1 . 1 49 49 LEU H H 1 8.999 0 . 1 . . . . . 49 LEU H . 51994 1 551 . 1 . 1 49 49 LEU HA H 1 4.919 0 . 1 . . . . . 49 LEU HA . 51994 1 552 . 1 . 1 49 49 LEU HB2 H 1 1.393 0 . 2 . . . . . 49 LEU HB2 . 51994 1 553 . 1 . 1 49 49 LEU HB3 H 1 1.393 0 . 2 . . . . . 49 LEU HB3 . 51994 1 554 . 1 . 1 49 49 LEU HD11 H 1 0.947 0 . 2 . . . . . 49 LEU MD1 . 51994 1 555 . 1 . 1 49 49 LEU HD12 H 1 0.947 0 . 2 . . . . . 49 LEU MD1 . 51994 1 556 . 1 . 1 49 49 LEU HD13 H 1 0.947 0 . 2 . . . . . 49 LEU MD1 . 51994 1 557 . 1 . 1 49 49 LEU HD21 H 1 0.947 0 . 2 . . . . . 49 LEU MD2 . 51994 1 558 . 1 . 1 49 49 LEU HD22 H 1 0.947 0 . 2 . . . . . 49 LEU MD2 . 51994 1 559 . 1 . 1 49 49 LEU HD23 H 1 0.947 0 . 2 . . . . . 49 LEU MD2 . 51994 1 560 . 1 . 1 49 49 LEU C C 13 176.09 0 . 1 . . . . . 49 LEU C . 51994 1 561 . 1 . 1 49 49 LEU CA C 13 51.24 0 . 1 . . . . . 49 LEU CA . 51994 1 562 . 1 . 1 49 49 LEU CB C 13 46.14 0 . 1 . . . . . 49 LEU CB . 51994 1 563 . 1 . 1 49 49 LEU N N 15 119.638 0 . 1 . . . . . 49 LEU N . 51994 1 564 . 1 . 1 50 50 PRO C C 13 176.54 0 . 1 . . . . . 50 PRO C . 51994 1 565 . 1 . 1 50 50 PRO CA C 13 65.87 0 . 1 . . . . . 50 PRO CA . 51994 1 566 . 1 . 1 50 50 PRO CB C 13 31.98 0 . 1 . . . . . 50 PRO CB . 51994 1 567 . 1 . 1 51 51 THR H H 1 6.843 0 . 1 . . . . . 51 THR H . 51994 1 568 . 1 . 1 51 51 THR HA H 1 5.933 0 . 1 . . . . . 51 THR HA . 51994 1 569 . 1 . 1 51 51 THR HB H 1 4.417 0 . 1 . . . . . 51 THR HB . 51994 1 570 . 1 . 1 51 51 THR HG1 H 1 4.77 0 . 1 . . . . . 51 THR HG1 . 51994 1 571 . 1 . 1 51 51 THR HG21 H 1 1.123 0 . 1 . . . . . 51 THR MG . 51994 1 572 . 1 . 1 51 51 THR HG22 H 1 1.123 0 . 1 . . . . . 51 THR MG . 51994 1 573 . 1 . 1 51 51 THR HG23 H 1 1.123 0 . 1 . . . . . 51 THR MG . 51994 1 574 . 1 . 1 51 51 THR C C 13 179.22 0 . 1 . . . . . 51 THR C . 51994 1 575 . 1 . 1 51 51 THR CA C 13 57.82 0 . 1 . . . . . 51 THR CA . 51994 1 576 . 1 . 1 51 51 THR CB C 13 69.3 0 . 1 . . . . . 51 THR CB . 51994 1 577 . 1 . 1 51 51 THR CG2 C 13 19.843 0 . 1 . . . . . 51 THR CG2 . 51994 1 578 . 1 . 1 51 51 THR N N 15 105.536 0 . 1 . . . . . 51 THR N . 51994 1 579 . 1 . 1 52 52 LEU H H 1 9.354 0 . 1 . . . . . 52 LEU H . 51994 1 580 . 1 . 1 52 52 LEU HA H 1 4.092 0 . 1 . . . . . 52 LEU HA . 51994 1 581 . 1 . 1 52 52 LEU HB2 H 1 2.185 0 . 2 . . . . . 52 LEU HB2 . 51994 1 582 . 1 . 1 52 52 LEU HB3 H 1 2.185 0 . 2 . . . . . 52 LEU HB3 . 51994 1 583 . 1 . 1 52 52 LEU HG H 1 1.329 0 . 1 . . . . . 52 LEU HG . 51994 1 584 . 1 . 1 52 52 LEU HD11 H 1 0.32 0 . 2 . . . . . 52 LEU MD1 . 51994 1 585 . 1 . 1 52 52 LEU HD12 H 1 0.32 0 . 2 . . . . . 52 LEU MD1 . 51994 1 586 . 1 . 1 52 52 LEU HD13 H 1 0.32 0 . 2 . . . . . 52 LEU MD1 . 51994 1 587 . 1 . 1 52 52 LEU HD21 H 1 0.32 0 . 2 . . . . . 52 LEU MD2 . 51994 1 588 . 1 . 1 52 52 LEU HD22 H 1 0.32 0 . 2 . . . . . 52 LEU MD2 . 51994 1 589 . 1 . 1 52 52 LEU HD23 H 1 0.32 0 . 2 . . . . . 52 LEU MD2 . 51994 1 590 . 1 . 1 52 52 LEU C C 13 172.9 0 . 1 . . . . . 52 LEU C . 51994 1 591 . 1 . 1 52 52 LEU CA C 13 55.3 0 . 1 . . . . . 52 LEU CA . 51994 1 592 . 1 . 1 52 52 LEU CB C 13 42.76 0 . 1 . . . . . 52 LEU CB . 51994 1 593 . 1 . 1 52 52 LEU CG C 13 25.13 0 . 1 . . . . . 52 LEU CG . 51994 1 594 . 1 . 1 52 52 LEU CD1 C 13 23.308 0 . 2 . . . . . 52 LEU CD1 . 51994 1 595 . 1 . 1 52 52 LEU CD2 C 13 23.308 0 . 2 . . . . . 52 LEU CD2 . 51994 1 596 . 1 . 1 52 52 LEU N N 15 126.947 0 . 1 . . . . . 52 LEU N . 51994 1 597 . 1 . 1 53 53 ASN H H 1 8.843 0 . 1 . . . . . 53 ASN H . 51994 1 598 . 1 . 1 53 53 ASN HA H 1 4.402 0 . 1 . . . . . 53 ASN HA . 51994 1 599 . 1 . 1 53 53 ASN HB2 H 1 2.629 0 . 2 . . . . . 53 ASN HB2 . 51994 1 600 . 1 . 1 53 53 ASN HB3 H 1 3.188 0 . 2 . . . . . 53 ASN HB3 . 51994 1 601 . 1 . 1 53 53 ASN C C 13 176.5 0 . 1 . . . . . 53 ASN C . 51994 1 602 . 1 . 1 53 53 ASN CA C 13 54.76 0 . 1 . . . . . 53 ASN CA . 51994 1 603 . 1 . 1 53 53 ASN CB C 13 37.95 0 . 1 . . . . . 53 ASN CB . 51994 1 604 . 1 . 1 53 53 ASN N N 15 118.096 0 . 1 . . . . . 53 ASN N . 51994 1 605 . 1 . 1 54 54 GLY H H 1 8.884 0 . 1 . . . . . 54 GLY H . 51994 1 606 . 1 . 1 54 54 GLY HA2 H 1 4.23 0 . 2 . . . . . 54 GLY HA2 . 51994 1 607 . 1 . 1 54 54 GLY HA3 H 1 3.553 0 . 2 . . . . . 54 GLY HA3 . 51994 1 608 . 1 . 1 54 54 GLY C C 13 177.1 0 . 1 . . . . . 54 GLY C . 51994 1 609 . 1 . 1 54 54 GLY CA C 13 45.4 0 . 1 . . . . . 54 GLY CA . 51994 1 610 . 1 . 1 54 54 GLY N N 15 103.835 0 . 1 . . . . . 54 GLY N . 51994 1 611 . 1 . 1 55 55 VAL H H 1 7.31 0 . 1 . . . . . 55 VAL H . 51994 1 612 . 1 . 1 55 55 VAL HA H 1 4.34 0 . 1 . . . . . 55 VAL HA . 51994 1 613 . 1 . 1 55 55 VAL HB H 1 2.399 0 . 1 . . . . . 55 VAL HB . 51994 1 614 . 1 . 1 55 55 VAL HG11 H 1 0.998 0 . 2 . . . . . 55 VAL MG1 . 51994 1 615 . 1 . 1 55 55 VAL HG12 H 1 0.998 0 . 2 . . . . . 55 VAL MG1 . 51994 1 616 . 1 . 1 55 55 VAL HG13 H 1 0.998 0 . 2 . . . . . 55 VAL MG1 . 51994 1 617 . 1 . 1 55 55 VAL HG21 H 1 0.998 0 . 2 . . . . . 55 VAL MG2 . 51994 1 618 . 1 . 1 55 55 VAL HG22 H 1 0.998 0 . 2 . . . . . 55 VAL MG2 . 51994 1 619 . 1 . 1 55 55 VAL HG23 H 1 0.998 0 . 2 . . . . . 55 VAL MG2 . 51994 1 620 . 1 . 1 55 55 VAL C C 13 177.19 0 . 1 . . . . . 55 VAL C . 51994 1 621 . 1 . 1 55 55 VAL CA C 13 60.26 0 . 1 . . . . . 55 VAL CA . 51994 1 622 . 1 . 1 55 55 VAL CB C 13 33.22 0 . 1 . . . . . 55 VAL CB . 51994 1 623 . 1 . 1 55 55 VAL CG1 C 13 21.504 0 . 2 . . . . . 55 VAL CG1 . 51994 1 624 . 1 . 1 55 55 VAL CG2 C 13 21.504 0 . 2 . . . . . 55 VAL CG2 . 51994 1 625 . 1 . 1 55 55 VAL N N 15 123.523 0 . 1 . . . . . 55 VAL N . 51994 1 626 . 1 . 1 56 56 PRO C C 13 174.16 0 . 1 . . . . . 56 PRO C . 51994 1 627 . 1 . 1 56 56 PRO CA C 13 63.23 0 . 1 . . . . . 56 PRO CA . 51994 1 628 . 1 . 1 56 56 PRO CB C 13 32 0 . 1 . . . . . 56 PRO CB . 51994 1 629 . 1 . 1 57 57 ALA H H 1 8.856 0 . 1 . . . . . 57 ALA H . 51994 1 630 . 1 . 1 57 57 ALA HA H 1 4.309 0 . 1 . . . . . 57 ALA HA . 51994 1 631 . 1 . 1 57 57 ALA HB1 H 1 1.234 0 . 1 . . . . . 57 ALA MB . 51994 1 632 . 1 . 1 57 57 ALA HB2 H 1 1.234 0 . 1 . . . . . 57 ALA MB . 51994 1 633 . 1 . 1 57 57 ALA HB3 H 1 1.234 0 . 1 . . . . . 57 ALA MB . 51994 1 634 . 1 . 1 57 57 ALA C C 13 173.07 0 . 1 . . . . . 57 ALA C . 51994 1 635 . 1 . 1 57 57 ALA CA C 13 55.61 0 . 1 . . . . . 57 ALA CA . 51994 1 636 . 1 . 1 57 57 ALA CB C 13 17.55 0 . 1 . . . . . 57 ALA CB . 51994 1 637 . 1 . 1 57 57 ALA N N 15 127.275 0 . 1 . . . . . 57 ALA N . 51994 1 638 . 1 . 1 58 58 ALA H H 1 8.308 0 . 1 . . . . . 58 ALA H . 51994 1 639 . 1 . 1 58 58 ALA HA H 1 4.35 0 . 1 . . . . . 58 ALA HA . 51994 1 640 . 1 . 1 58 58 ALA HB1 H 1 1.202 0 . 1 . . . . . 58 ALA MB . 51994 1 641 . 1 . 1 58 58 ALA HB2 H 1 1.202 0 . 1 . . . . . 58 ALA MB . 51994 1 642 . 1 . 1 58 58 ALA HB3 H 1 1.202 0 . 1 . . . . . 58 ALA MB . 51994 1 643 . 1 . 1 58 58 ALA C C 13 172.75 0 . 1 . . . . . 58 ALA C . 51994 1 644 . 1 . 1 58 58 ALA CA C 13 54.62 0 . 1 . . . . . 58 ALA CA . 51994 1 645 . 1 . 1 58 58 ALA CB C 13 18.9 0 . 1 . . . . . 58 ALA CB . 51994 1 646 . 1 . 1 58 58 ALA N N 15 116.741 0 . 1 . . . . . 58 ALA N . 51994 1 647 . 1 . 1 59 59 ASP H H 1 6.572 0 . 1 . . . . . 59 ASP H . 51994 1 648 . 1 . 1 59 59 ASP HA H 1 4.176 0 . 1 . . . . . 59 ASP HA . 51994 1 649 . 1 . 1 59 59 ASP HB2 H 1 2.573 0 . 2 . . . . . 59 ASP HB2 . 51994 1 650 . 1 . 1 59 59 ASP HB3 H 1 2.398 0 . 2 . . . . . 59 ASP HB3 . 51994 1 651 . 1 . 1 59 59 ASP C C 13 172.8 0 . 1 . . . . . 59 ASP C . 51994 1 652 . 1 . 1 59 59 ASP CA C 13 56.58 0 . 1 . . . . . 59 ASP CA . 51994 1 653 . 1 . 1 59 59 ASP CB C 13 40.44 0 . 1 . . . . . 59 ASP CB . 51994 1 654 . 1 . 1 59 59 ASP N N 15 113.694 0 . 1 . . . . . 59 ASP N . 51994 1 655 . 1 . 1 60 60 TYR H H 1 8.054 0 . 1 . . . . . 60 TYR H . 51994 1 656 . 1 . 1 60 60 TYR HA H 1 3.553 0 . 1 . . . . . 60 TYR HA . 51994 1 657 . 1 . 1 60 60 TYR HB2 H 1 2.973 0 . 2 . . . . . 60 TYR HB2 . 51994 1 658 . 1 . 1 60 60 TYR HB3 H 1 2.622 0 . 2 . . . . . 60 TYR HB3 . 51994 1 659 . 1 . 1 60 60 TYR HD1 H 1 6.696 0 . 3 . . . . . 60 TYR HD1 . 51994 1 660 . 1 . 1 60 60 TYR HD2 H 1 6.696 0 . 3 . . . . . 60 TYR HD2 . 51994 1 661 . 1 . 1 60 60 TYR HE1 H 1 6.776 0 . 3 . . . . . 60 TYR HE1 . 51994 1 662 . 1 . 1 60 60 TYR HE2 H 1 6.776 0 . 3 . . . . . 60 TYR HE2 . 51994 1 663 . 1 . 1 60 60 TYR C C 13 174.4 0 . 1 . . . . . 60 TYR C . 51994 1 664 . 1 . 1 60 60 TYR CA C 13 61.72 0 . 1 . . . . . 60 TYR CA . 51994 1 665 . 1 . 1 60 60 TYR CB C 13 38.89 0 . 1 . . . . . 60 TYR CB . 51994 1 666 . 1 . 1 60 60 TYR CD1 C 13 133.13 0 . 3 . . . . . 60 TYR CD1 . 51994 1 667 . 1 . 1 60 60 TYR CD2 C 13 133.13 0 . 3 . . . . . 60 TYR CD2 . 51994 1 668 . 1 . 1 60 60 TYR CE1 C 13 119.05 0 . 3 . . . . . 60 TYR CE1 . 51994 1 669 . 1 . 1 60 60 TYR CE2 C 13 119.05 0 . 3 . . . . . 60 TYR CE2 . 51994 1 670 . 1 . 1 60 60 TYR N N 15 120.518 0 . 1 . . . . . 60 TYR N . 51994 1 671 . 1 . 1 61 61 ALA H H 1 8.723 0 . 1 . . . . . 61 ALA H . 51994 1 672 . 1 . 1 61 61 ALA HA H 1 3.86 0 . 1 . . . . . 61 ALA HA . 51994 1 673 . 1 . 1 61 61 ALA HB1 H 1 1.59 0 . 1 . . . . . 61 ALA MB . 51994 1 674 . 1 . 1 61 61 ALA HB2 H 1 1.59 0 . 1 . . . . . 61 ALA MB . 51994 1 675 . 1 . 1 61 61 ALA HB3 H 1 1.59 0 . 1 . . . . . 61 ALA MB . 51994 1 676 . 1 . 1 61 61 ALA C C 13 172.62 0 . 1 . . . . . 61 ALA C . 51994 1 677 . 1 . 1 61 61 ALA CA C 13 56.11 0 . 1 . . . . . 61 ALA CA . 51994 1 678 . 1 . 1 61 61 ALA CB C 13 19.44 0 . 1 . . . . . 61 ALA CB . 51994 1 679 . 1 . 1 61 61 ALA N N 15 118.508 0 . 1 . . . . . 61 ALA N . 51994 1 680 . 1 . 1 62 62 VAL H H 1 7.699 0 . 1 . . . . . 62 VAL H . 51994 1 681 . 1 . 1 62 62 VAL HA H 1 3.922 0 . 1 . . . . . 62 VAL HA . 51994 1 682 . 1 . 1 62 62 VAL HB H 1 2.102 0 . 1 . . . . . 62 VAL HB . 51994 1 683 . 1 . 1 62 62 VAL HG11 H 1 1.059 0 . 2 . . . . . 62 VAL MG1 . 51994 1 684 . 1 . 1 62 62 VAL HG12 H 1 1.059 0 . 2 . . . . . 62 VAL MG1 . 51994 1 685 . 1 . 1 62 62 VAL HG13 H 1 1.059 0 . 2 . . . . . 62 VAL MG1 . 51994 1 686 . 1 . 1 62 62 VAL HG21 H 1 1.059 0 . 2 . . . . . 62 VAL MG2 . 51994 1 687 . 1 . 1 62 62 VAL HG22 H 1 1.059 0 . 2 . . . . . 62 VAL MG2 . 51994 1 688 . 1 . 1 62 62 VAL HG23 H 1 1.059 0 . 2 . . . . . 62 VAL MG2 . 51994 1 689 . 1 . 1 62 62 VAL C C 13 172.14 0 . 1 . . . . . 62 VAL C . 51994 1 690 . 1 . 1 62 62 VAL CA C 13 65.7 0 . 1 . . . . . 62 VAL CA . 51994 1 691 . 1 . 1 62 62 VAL CB C 13 31.96 0 . 1 . . . . . 62 VAL CB . 51994 1 692 . 1 . 1 62 62 VAL CG1 C 13 21.58 0 . 2 . . . . . 62 VAL CG1 . 51994 1 693 . 1 . 1 62 62 VAL CG2 C 13 21.58 0 . 2 . . . . . 62 VAL CG2 . 51994 1 694 . 1 . 1 62 62 VAL N N 15 114.701 0 . 1 . . . . . 62 VAL N . 51994 1 695 . 1 . 1 63 63 GLU H H 1 7.564 0 . 1 . . . . . 63 GLU H . 51994 1 696 . 1 . 1 63 63 GLU HA H 1 4.339 0 . 1 . . . . . 63 GLU HA . 51994 1 697 . 1 . 1 63 63 GLU HB2 H 1 1.979 0 . 2 . . . . . 63 GLU HB2 . 51994 1 698 . 1 . 1 63 63 GLU HB3 H 1 1.979 0 . 2 . . . . . 63 GLU HB3 . 51994 1 699 . 1 . 1 63 63 GLU HG2 H 1 1.668 0 . 2 . . . . . 63 GLU HG2 . 51994 1 700 . 1 . 1 63 63 GLU HG3 H 1 1.668 0 . 2 . . . . . 63 GLU HG3 . 51994 1 701 . 1 . 1 63 63 GLU HE2 H 1 4.073 0 . 1 . . . . . 63 GLU HE2 . 51994 1 702 . 1 . 1 63 63 GLU C C 13 173.4 0 . 1 . . . . . 63 GLU C . 51994 1 703 . 1 . 1 63 63 GLU CA C 13 58.3 0 . 1 . . . . . 63 GLU CA . 51994 1 704 . 1 . 1 63 63 GLU CB C 13 27.9 0 . 1 . . . . . 63 GLU CB . 51994 1 705 . 1 . 1 63 63 GLU CG C 13 35.38 0 . 1 . . . . . 63 GLU CG . 51994 1 706 . 1 . 1 63 63 GLU N N 15 121.064 0 . 1 . . . . . 63 GLU N . 51994 1 707 . 1 . 1 64 64 LEU H H 1 8.788 0 . 1 . . . . . 64 LEU H . 51994 1 708 . 1 . 1 64 64 LEU HA H 1 3.629 0 . 1 . . . . . 64 LEU HA . 51994 1 709 . 1 . 1 64 64 LEU HB2 H 1 1.445 0 . 2 . . . . . 64 LEU HB2 . 51994 1 710 . 1 . 1 64 64 LEU HB3 H 1 1.314 0 . 2 . . . . . 64 LEU HB3 . 51994 1 711 . 1 . 1 64 64 LEU HG H 1 0.836 0 . 1 . . . . . 64 LEU HG . 51994 1 712 . 1 . 1 64 64 LEU HD11 H 1 0.533 0 . 2 . . . . . 64 LEU MD1 . 51994 1 713 . 1 . 1 64 64 LEU HD12 H 1 0.533 0 . 2 . . . . . 64 LEU MD1 . 51994 1 714 . 1 . 1 64 64 LEU HD13 H 1 0.533 0 . 2 . . . . . 64 LEU MD1 . 51994 1 715 . 1 . 1 64 64 LEU HD21 H 1 0.533 0 . 2 . . . . . 64 LEU MD2 . 51994 1 716 . 1 . 1 64 64 LEU HD22 H 1 0.533 0 . 2 . . . . . 64 LEU MD2 . 51994 1 717 . 1 . 1 64 64 LEU HD23 H 1 0.533 0 . 2 . . . . . 64 LEU MD2 . 51994 1 718 . 1 . 1 64 64 LEU C C 13 173.28 0 . 1 . . . . . 64 LEU C . 51994 1 719 . 1 . 1 64 64 LEU CA C 13 59.85 0 . 1 . . . . . 64 LEU CA . 51994 1 720 . 1 . 1 64 64 LEU CB C 13 41.41 0 . 1 . . . . . 64 LEU CB . 51994 1 721 . 1 . 1 64 64 LEU CG C 13 28.14 0 . 1 . . . . . 64 LEU CG . 51994 1 722 . 1 . 1 64 64 LEU CD1 C 13 24.911 0 . 2 . . . . . 64 LEU CD1 . 51994 1 723 . 1 . 1 64 64 LEU CD2 C 13 24.911 0 . 2 . . . . . 64 LEU CD2 . 51994 1 724 . 1 . 1 64 64 LEU N N 15 121.797 0 . 1 . . . . . 64 LEU N . 51994 1 725 . 1 . 1 65 65 GLY H H 1 8.157 0 . 1 . . . . . 65 GLY H . 51994 1 726 . 1 . 1 65 65 GLY HA2 H 1 3.74 0 . 2 . . . . . 65 GLY HA2 . 51994 1 727 . 1 . 1 65 65 GLY HA3 H 1 3.259 0 . 2 . . . . . 65 GLY HA3 . 51994 1 728 . 1 . 1 65 65 GLY C C 13 175.35 0 . 1 . . . . . 65 GLY C . 51994 1 729 . 1 . 1 65 65 GLY CA C 13 47.74 0 . 1 . . . . . 65 GLY CA . 51994 1 730 . 1 . 1 65 65 GLY N N 15 104.145 0 . 1 . . . . . 65 GLY N . 51994 1 731 . 1 . 1 66 66 ARG H H 1 7.746 0 . 1 . . . . . 66 ARG H . 51994 1 732 . 1 . 1 66 66 ARG HA H 1 4.184 0 . 1 . . . . . 66 ARG HA . 51994 1 733 . 1 . 1 66 66 ARG HB2 H 1 2.074 0 . 2 . . . . . 66 ARG HB2 . 51994 1 734 . 1 . 1 66 66 ARG HB3 H 1 1.776 0 . 2 . . . . . 66 ARG HB3 . 51994 1 735 . 1 . 1 66 66 ARG HG2 H 1 1.56 0 . 2 . . . . . 66 ARG HG2 . 51994 1 736 . 1 . 1 66 66 ARG HG3 H 1 1.56 0 . 2 . . . . . 66 ARG HG3 . 51994 1 737 . 1 . 1 66 66 ARG HD2 H 1 3.273 0 . 2 . . . . . 66 ARG HD2 . 51994 1 738 . 1 . 1 66 66 ARG HD3 H 1 2.986 0 . 2 . . . . . 66 ARG HD3 . 51994 1 739 . 1 . 1 66 66 ARG C C 13 171.86 0 . 1 . . . . . 66 ARG C . 51994 1 740 . 1 . 1 66 66 ARG CA C 13 59.85 0 . 1 . . . . . 66 ARG CA . 51994 1 741 . 1 . 1 66 66 ARG CB C 13 30.52 0 . 1 . . . . . 66 ARG CB . 51994 1 742 . 1 . 1 66 66 ARG CG C 13 27.03 0 . 1 . . . . . 66 ARG CG . 51994 1 743 . 1 . 1 66 66 ARG CD C 13 43.518 0 . 1 . . . . . 66 ARG CD . 51994 1 744 . 1 . 1 66 66 ARG N N 15 120.222 0 . 1 . . . . . 66 ARG N . 51994 1 745 . 1 . 1 67 67 ARG H H 1 9.135 0 . 1 . . . . . 67 ARG H . 51994 1 746 . 1 . 1 67 67 ARG HA H 1 4.203 0 . 1 . . . . . 67 ARG HA . 51994 1 747 . 1 . 1 67 67 ARG HB2 H 1 2.093 0 . 2 . . . . . 67 ARG HB2 . 51994 1 748 . 1 . 1 67 67 ARG HB3 H 1 1.851 0 . 2 . . . . . 67 ARG HB3 . 51994 1 749 . 1 . 1 67 67 ARG HG2 H 1 1.748 0 . 2 . . . . . 67 ARG HG2 . 51994 1 750 . 1 . 1 67 67 ARG HG3 H 1 1.748 0 . 2 . . . . . 67 ARG HG3 . 51994 1 751 . 1 . 1 67 67 ARG HD2 H 1 3.369 0 . 2 . . . . . 67 ARG HD2 . 51994 1 752 . 1 . 1 67 67 ARG HD3 H 1 3.098 0 . 2 . . . . . 67 ARG HD3 . 51994 1 753 . 1 . 1 67 67 ARG C C 13 172.57 0 . 1 . . . . . 67 ARG C . 51994 1 754 . 1 . 1 67 67 ARG CA C 13 58.59 0 . 1 . . . . . 67 ARG CA . 51994 1 755 . 1 . 1 67 67 ARG CB C 13 29.51 0 . 1 . . . . . 67 ARG CB . 51994 1 756 . 1 . 1 67 67 ARG CG C 13 28.071 0 . 1 . . . . . 67 ARG CG . 51994 1 757 . 1 . 1 67 67 ARG CD C 13 43.218 0 . 1 . . . . . 67 ARG CD . 51994 1 758 . 1 . 1 67 67 ARG N N 15 120.622 0 . 1 . . . . . 67 ARG N . 51994 1 759 . 1 . 1 68 68 TRP H H 1 9.299 0 . 1 . . . . . 68 TRP H . 51994 1 760 . 1 . 1 68 68 TRP HA H 1 4.595 0 . 1 . . . . . 68 TRP HA . 51994 1 761 . 1 . 1 68 68 TRP HB2 H 1 3.337 0 . 2 . . . . . 68 TRP HB2 . 51994 1 762 . 1 . 1 68 68 TRP HB3 H 1 3.162 0 . 2 . . . . . 68 TRP HB3 . 51994 1 763 . 1 . 1 68 68 TRP HD1 H 1 6.88 0 . 1 . . . . . 68 TRP HD1 . 51994 1 764 . 1 . 1 68 68 TRP HE1 H 1 10.205 0 . 1 . . . . . 68 TRP HE1 . 51994 1 765 . 1 . 1 68 68 TRP HE3 H 1 6.958 0 . 1 . . . . . 68 TRP HE3 . 51994 1 766 . 1 . 1 68 68 TRP HZ2 H 1 7.394 0 . 1 . . . . . 68 TRP HZ2 . 51994 1 767 . 1 . 1 68 68 TRP HZ3 H 1 6.857 0 . 1 . . . . . 68 TRP HZ3 . 51994 1 768 . 1 . 1 68 68 TRP HH2 H 1 7.195 0 . 1 . . . . . 68 TRP HH2 . 51994 1 769 . 1 . 1 68 68 TRP C C 13 174.67 0 . 1 . . . . . 68 TRP C . 51994 1 770 . 1 . 1 68 68 TRP CA C 13 57.6 0 . 1 . . . . . 68 TRP CA . 51994 1 771 . 1 . 1 68 68 TRP CB C 13 29.64 0 . 1 . . . . . 68 TRP CB . 51994 1 772 . 1 . 1 68 68 TRP CD1 C 13 122.237 0 . 1 . . . . . 68 TRP CD1 . 51994 1 773 . 1 . 1 68 68 TRP CE3 C 13 122.292 0 . 1 . . . . . 68 TRP CE3 . 51994 1 774 . 1 . 1 68 68 TRP CZ2 C 13 115.809 0 . 1 . . . . . 68 TRP CZ2 . 51994 1 775 . 1 . 1 68 68 TRP CZ3 C 13 124.799 0 . 1 . . . . . 68 TRP CZ3 . 51994 1 776 . 1 . 1 68 68 TRP CH2 C 13 122.418 0 . 1 . . . . . 68 TRP CH2 . 51994 1 777 . 1 . 1 68 68 TRP N N 15 116.638 0 . 1 . . . . . 68 TRP N . 51994 1 778 . 1 . 1 68 68 TRP NE1 N 15 128.515 0 . 1 . . . . . 68 TRP NE1 . 51994 1 779 . 1 . 1 69 69 GLY H H 1 7.77 0 . 1 . . . . . 69 GLY H . 51994 1 780 . 1 . 1 69 69 GLY HA2 H 1 4.006 0 . 2 . . . . . 69 GLY HA2 . 51994 1 781 . 1 . 1 69 69 GLY HA3 H 1 3.794 0 . 2 . . . . . 69 GLY HA3 . 51994 1 782 . 1 . 1 69 69 GLY C C 13 176.19 0 . 1 . . . . . 69 GLY C . 51994 1 783 . 1 . 1 69 69 GLY CA C 13 46.99 0 . 1 . . . . . 69 GLY CA . 51994 1 784 . 1 . 1 69 69 GLY N N 15 109.51 0 . 1 . . . . . 69 GLY N . 51994 1 785 . 1 . 1 70 70 VAL H H 1 7.975 0 . 1 . . . . . 70 VAL H . 51994 1 786 . 1 . 1 70 70 VAL HA H 1 3.851 0 . 1 . . . . . 70 VAL HA . 51994 1 787 . 1 . 1 70 70 VAL HB H 1 1.534 0 . 1 . . . . . 70 VAL HB . 51994 1 788 . 1 . 1 70 70 VAL HG11 H 1 0.899 0 . 2 . . . . . 70 VAL MG1 . 51994 1 789 . 1 . 1 70 70 VAL HG12 H 1 0.899 0 . 2 . . . . . 70 VAL MG1 . 51994 1 790 . 1 . 1 70 70 VAL HG13 H 1 0.899 0 . 2 . . . . . 70 VAL MG1 . 51994 1 791 . 1 . 1 70 70 VAL HG21 H 1 0.899 0 . 2 . . . . . 70 VAL MG2 . 51994 1 792 . 1 . 1 70 70 VAL HG22 H 1 0.899 0 . 2 . . . . . 70 VAL MG2 . 51994 1 793 . 1 . 1 70 70 VAL HG23 H 1 0.899 0 . 2 . . . . . 70 VAL MG2 . 51994 1 794 . 1 . 1 70 70 VAL C C 13 173.53 0 . 1 . . . . . 70 VAL C . 51994 1 795 . 1 . 1 70 70 VAL CA C 13 64 0 . 1 . . . . . 70 VAL CA . 51994 1 796 . 1 . 1 70 70 VAL CB C 13 30.2 0 . 1 . . . . . 70 VAL CB . 51994 1 797 . 1 . 1 70 70 VAL CG1 C 13 21.34 0 . 2 . . . . . 70 VAL CG1 . 51994 1 798 . 1 . 1 70 70 VAL CG2 C 13 21.34 0 . 2 . . . . . 70 VAL CG2 . 51994 1 799 . 1 . 1 70 70 VAL N N 15 120.006 0 . 1 . . . . . 70 VAL N . 51994 1 800 . 1 . 1 71 71 GLY H H 1 9.263 0 . 1 . . . . . 71 GLY H . 51994 1 801 . 1 . 1 71 71 GLY HA2 H 1 3.866 0 . 2 . . . . . 71 GLY HA2 . 51994 1 802 . 1 . 1 71 71 GLY HA3 H 1 3.571 0 . 2 . . . . . 71 GLY HA3 . 51994 1 803 . 1 . 1 71 71 GLY C C 13 174.54 0 . 1 . . . . . 71 GLY C . 51994 1 804 . 1 . 1 71 71 GLY CA C 13 45.87 0 . 1 . . . . . 71 GLY CA . 51994 1 805 . 1 . 1 71 71 GLY N N 15 113.606 0 . 1 . . . . . 71 GLY N . 51994 1 806 . 1 . 1 72 72 GLN H H 1 7.596 0 . 1 . . . . . 72 GLN H . 51994 1 807 . 1 . 1 72 72 GLN HA H 1 4.722 0 . 1 . . . . . 72 GLN HA . 51994 1 808 . 1 . 1 72 72 GLN HB2 H 1 1.888 0 . 2 . . . . . 72 GLN HB2 . 51994 1 809 . 1 . 1 72 72 GLN HB3 H 1 1.888 0 . 2 . . . . . 72 GLN HB3 . 51994 1 810 . 1 . 1 72 72 GLN HG2 H 1 2.331 0 . 2 . . . . . 72 GLN HG2 . 51994 1 811 . 1 . 1 72 72 GLN HG3 H 1 2.331 0 . 2 . . . . . 72 GLN HG3 . 51994 1 812 . 1 . 1 72 72 GLN HE21 H 1 7.478 0 . 2 . . . . . 72 GLN HE21 . 51994 1 813 . 1 . 1 72 72 GLN HE22 H 1 6.865 0 . 2 . . . . . 72 GLN HE22 . 51994 1 814 . 1 . 1 72 72 GLN C C 13 175.17 0 . 1 . . . . . 72 GLN C . 51994 1 815 . 1 . 1 72 72 GLN CA C 13 55.3 0 . 1 . . . . . 72 GLN CA . 51994 1 816 . 1 . 1 72 72 GLN CB C 13 31.15 0 . 1 . . . . . 72 GLN CB . 51994 1 817 . 1 . 1 72 72 GLN CG C 13 34.057 0 . 1 . . . . . 72 GLN CG . 51994 1 818 . 1 . 1 72 72 GLN N N 15 114.076 0 . 1 . . . . . 72 GLN N . 51994 1 819 . 1 . 1 72 72 GLN NE2 N 15 110.641 0 . 1 . . . . . 72 GLN NE2 . 51994 1 820 . 1 . 1 73 73 LYS H H 1 8.553 0 . 1 . . . . . 73 LYS H . 51994 1 821 . 1 . 1 73 73 LYS HA H 1 4.191 0 . 1 . . . . . 73 LYS HA . 51994 1 822 . 1 . 1 73 73 LYS HB2 H 1 2.124 0 . 2 . . . . . 73 LYS HB2 . 51994 1 823 . 1 . 1 73 73 LYS HB3 H 1 1.903 0 . 2 . . . . . 73 LYS HB3 . 51994 1 824 . 1 . 1 73 73 LYS HG2 H 1 1.345 0 . 2 . . . . . 73 LYS HG2 . 51994 1 825 . 1 . 1 73 73 LYS HG3 H 1 1.345 0 . 2 . . . . . 73 LYS HG3 . 51994 1 826 . 1 . 1 73 73 LYS HD2 H 1 1.568 0 . 2 . . . . . 73 LYS HD2 . 51994 1 827 . 1 . 1 73 73 LYS HD3 H 1 1.568 0 . 2 . . . . . 73 LYS HD3 . 51994 1 828 . 1 . 1 73 73 LYS HE2 H 1 3.355 0 . 2 . . . . . 73 LYS HE2 . 51994 1 829 . 1 . 1 73 73 LYS HE3 H 1 3.355 0 . 2 . . . . . 73 LYS HE3 . 51994 1 830 . 1 . 1 73 73 LYS C C 13 175.4 0 . 1 . . . . . 73 LYS C . 51994 1 831 . 1 . 1 73 73 LYS CA C 13 58.54 0 . 1 . . . . . 73 LYS CA . 51994 1 832 . 1 . 1 73 73 LYS CB C 13 31.14 0 . 1 . . . . . 73 LYS CB . 51994 1 833 . 1 . 1 73 73 LYS CG C 13 25.333 0 . 1 . . . . . 73 LYS CG . 51994 1 834 . 1 . 1 73 73 LYS CD C 13 30.269 0 . 1 . . . . . 73 LYS CD . 51994 1 835 . 1 . 1 73 73 LYS CE C 13 41.684 0 . 1 . . . . . 73 LYS CE . 51994 1 836 . 1 . 1 73 73 LYS N N 15 118.531 0 . 1 . . . . . 73 LYS N . 51994 1 837 . 1 . 1 74 74 GLU H H 1 8.912 0 . 1 . . . . . 74 GLU H . 51994 1 838 . 1 . 1 74 74 GLU HA H 1 4.077 0 . 1 . . . . . 74 GLU HA . 51994 1 839 . 1 . 1 74 74 GLU HB2 H 1 1.778 0 . 2 . . . . . 74 GLU HB2 . 51994 1 840 . 1 . 1 74 74 GLU HB3 H 1 1.599 0 . 2 . . . . . 74 GLU HB3 . 51994 1 841 . 1 . 1 74 74 GLU HG2 H 1 2.094 0 . 2 . . . . . 74 GLU HG2 . 51994 1 842 . 1 . 1 74 74 GLU HG3 H 1 2.094 0 . 2 . . . . . 74 GLU HG3 . 51994 1 843 . 1 . 1 74 74 GLU HE2 H 1 4.77 0 . 1 . . . . . 74 GLU HE2 . 51994 1 844 . 1 . 1 74 74 GLU C C 13 176.36 0 . 1 . . . . . 74 GLU C . 51994 1 845 . 1 . 1 74 74 GLU CA C 13 58.43 0 . 1 . . . . . 74 GLU CA . 51994 1 846 . 1 . 1 74 74 GLU CB C 13 29.17 0 . 1 . . . . . 74 GLU CB . 51994 1 847 . 1 . 1 74 74 GLU CG C 13 37.183 0 . 1 . . . . . 74 GLU CG . 51994 1 848 . 1 . 1 74 74 GLU N N 15 121.451 0 . 1 . . . . . 74 GLU N . 51994 1 849 . 1 . 1 75 75 TYR H H 1 7.436 0 . 1 . . . . . 75 TYR H . 51994 1 850 . 1 . 1 75 75 TYR HA H 1 4.847 0 . 1 . . . . . 75 TYR HA . 51994 1 851 . 1 . 1 75 75 TYR HB2 H 1 2.524 0 . 2 . . . . . 75 TYR HB2 . 51994 1 852 . 1 . 1 75 75 TYR HB3 H 1 2.524 0 . 2 . . . . . 75 TYR HB3 . 51994 1 853 . 1 . 1 75 75 TYR HD1 H 1 7.128 0 . 3 . . . . . 75 TYR HD1 . 51994 1 854 . 1 . 1 75 75 TYR HD2 H 1 7.128 0 . 3 . . . . . 75 TYR HD2 . 51994 1 855 . 1 . 1 75 75 TYR HE1 H 1 6.921 0 . 3 . . . . . 75 TYR HE1 . 51994 1 856 . 1 . 1 75 75 TYR HE2 H 1 6.921 0 . 3 . . . . . 75 TYR HE2 . 51994 1 857 . 1 . 1 75 75 TYR C C 13 177.01 0 . 1 . . . . . 75 TYR C . 51994 1 858 . 1 . 1 75 75 TYR CA C 13 56.96 0 . 1 . . . . . 75 TYR CA . 51994 1 859 . 1 . 1 75 75 TYR CB C 13 40.69 0 . 1 . . . . . 75 TYR CB . 51994 1 860 . 1 . 1 75 75 TYR CD1 C 13 132.707 0 . 3 . . . . . 75 TYR CD1 . 51994 1 861 . 1 . 1 75 75 TYR CD2 C 13 132.707 0 . 3 . . . . . 75 TYR CD2 . 51994 1 862 . 1 . 1 75 75 TYR CE1 C 13 118.287 0 . 3 . . . . . 75 TYR CE1 . 51994 1 863 . 1 . 1 75 75 TYR CE2 C 13 118.287 0 . 3 . . . . . 75 TYR CE2 . 51994 1 864 . 1 . 1 75 75 TYR N N 15 117.181 0 . 1 . . . . . 75 TYR N . 51994 1 865 . 1 . 1 76 76 ASP H H 1 8.857 0 . 1 . . . . . 76 ASP H . 51994 1 866 . 1 . 1 76 76 ASP HA H 1 4.646 0 . 1 . . . . . 76 ASP HA . 51994 1 867 . 1 . 1 76 76 ASP HB2 H 1 2.798 0 . 2 . . . . . 76 ASP HB2 . 51994 1 868 . 1 . 1 76 76 ASP HB3 H 1 2.589 0 . 2 . . . . . 76 ASP HB3 . 51994 1 869 . 1 . 1 76 76 ASP C C 13 172.68 0 . 1 . . . . . 76 ASP C . 51994 1 870 . 1 . 1 76 76 ASP CA C 13 56.48 0 . 1 . . . . . 76 ASP CA . 51994 1 871 . 1 . 1 76 76 ASP CB C 13 42.42 0 . 1 . . . . . 76 ASP CB . 51994 1 872 . 1 . 1 76 76 ASP N N 15 119.781 0 . 1 . . . . . 76 ASP N . 51994 1 873 . 1 . 1 77 77 ASN H H 1 8.202 0 . 1 . . . . . 77 ASN H . 51994 1 874 . 1 . 1 77 77 ASN HA H 1 5.375 0 . 1 . . . . . 77 ASN HA . 51994 1 875 . 1 . 1 77 77 ASN HB2 H 1 2.954 0 . 2 . . . . . 77 ASN HB2 . 51994 1 876 . 1 . 1 77 77 ASN HB3 H 1 2.772 0 . 2 . . . . . 77 ASN HB3 . 51994 1 877 . 1 . 1 77 77 ASN HD21 H 1 7.593 0 . 2 . . . . . 77 ASN HD21 . 51994 1 878 . 1 . 1 77 77 ASN HD22 H 1 7.039 0 . 2 . . . . . 77 ASN HD22 . 51994 1 879 . 1 . 1 77 77 ASN C C 13 176.81 0 . 1 . . . . . 77 ASN C . 51994 1 880 . 1 . 1 77 77 ASN CA C 13 52.52 0 . 1 . . . . . 77 ASN CA . 51994 1 881 . 1 . 1 77 77 ASN CB C 13 42.42 0 . 1 . . . . . 77 ASN CB . 51994 1 882 . 1 . 1 77 77 ASN N N 15 112.827 0 . 1 . . . . . 77 ASN N . 51994 1 883 . 1 . 1 77 77 ASN ND2 N 15 114.068 0 . 1 . . . . . 77 ASN ND2 . 51994 1 884 . 1 . 1 78 78 GLY H H 1 8.49 0 . 1 . . . . . 78 GLY H . 51994 1 885 . 1 . 1 78 78 GLY HA2 H 1 3.83 0 . 2 . . . . . 78 GLY HA2 . 51994 1 886 . 1 . 1 78 78 GLY HA3 H 1 3.738 0 . 2 . . . . . 78 GLY HA3 . 51994 1 887 . 1 . 1 78 78 GLY C C 13 180.67 0 . 1 . . . . . 78 GLY C . 51994 1 888 . 1 . 1 78 78 GLY CA C 13 46.62 0 . 1 . . . . . 78 GLY CA . 51994 1 889 . 1 . 1 78 78 GLY N N 15 107.035 0 . 1 . . . . . 78 GLY N . 51994 1 890 . 1 . 1 79 79 VAL H H 1 8.802 0 . 1 . . . . . 79 VAL H . 51994 1 891 . 1 . 1 79 79 VAL HA H 1 4.745 0 . 1 . . . . . 79 VAL HA . 51994 1 892 . 1 . 1 79 79 VAL HB H 1 1.887 0 . 1 . . . . . 79 VAL HB . 51994 1 893 . 1 . 1 79 79 VAL HG11 H 1 0.836 0 . 2 . . . . . 79 VAL MG1 . 51994 1 894 . 1 . 1 79 79 VAL HG12 H 1 0.836 0 . 2 . . . . . 79 VAL MG1 . 51994 1 895 . 1 . 1 79 79 VAL HG13 H 1 0.836 0 . 2 . . . . . 79 VAL MG1 . 51994 1 896 . 1 . 1 79 79 VAL HG21 H 1 0.708 0 . 2 . . . . . 79 VAL MG2 . 51994 1 897 . 1 . 1 79 79 VAL HG22 H 1 0.708 0 . 2 . . . . . 79 VAL MG2 . 51994 1 898 . 1 . 1 79 79 VAL HG23 H 1 0.708 0 . 2 . . . . . 79 VAL MG2 . 51994 1 899 . 1 . 1 79 79 VAL C C 13 177.88 0 . 1 . . . . . 79 VAL C . 51994 1 900 . 1 . 1 79 79 VAL CA C 13 60.86 0 . 1 . . . . . 79 VAL CA . 51994 1 901 . 1 . 1 79 79 VAL CB C 13 37.082 0 . 1 . . . . . 79 VAL CB . 51994 1 902 . 1 . 1 79 79 VAL CG1 C 13 21.176 0 . 2 . . . . . 79 VAL CG1 . 51994 1 903 . 1 . 1 79 79 VAL CG2 C 13 21.176 0 . 2 . . . . . 79 VAL CG2 . 51994 1 904 . 1 . 1 79 79 VAL N N 15 119.232 0 . 1 . . . . . 79 VAL N . 51994 1 905 . 1 . 1 80 80 VAL C C 13 176.64 0 . 1 . . . . . 80 VAL C . 51994 1 906 . 1 . 1 80 80 VAL CA C 13 60.79 0 . 1 . . . . . 80 VAL CA . 51994 1 907 . 1 . 1 80 80 VAL CB C 13 35.39 0 . 1 . . . . . 80 VAL CB . 51994 1 908 . 1 . 1 81 81 ILE H H 1 8.941 0 . 1 . . . . . 81 ILE H . 51994 1 909 . 1 . 1 81 81 ILE HA H 1 4.569 0 . 1 . . . . . 81 ILE HA . 51994 1 910 . 1 . 1 81 81 ILE HB H 1 1.989 0 . 1 . . . . . 81 ILE HB . 51994 1 911 . 1 . 1 81 81 ILE HG12 H 1 1.505 0 . 2 . . . . . 81 ILE HG12 . 51994 1 912 . 1 . 1 81 81 ILE HG13 H 1 1.075 0 . 2 . . . . . 81 ILE HG13 . 51994 1 913 . 1 . 1 81 81 ILE HG21 H 1 0.545 0 . 1 . . . . . 81 ILE MG . 51994 1 914 . 1 . 1 81 81 ILE HG22 H 1 0.545 0 . 1 . . . . . 81 ILE MG . 51994 1 915 . 1 . 1 81 81 ILE HG23 H 1 0.545 0 . 1 . . . . . 81 ILE MG . 51994 1 916 . 1 . 1 81 81 ILE HD11 H 1 0.659 0 . 1 . . . . . 81 ILE MD . 51994 1 917 . 1 . 1 81 81 ILE HD12 H 1 0.659 0 . 1 . . . . . 81 ILE MD . 51994 1 918 . 1 . 1 81 81 ILE HD13 H 1 0.659 0 . 1 . . . . . 81 ILE MD . 51994 1 919 . 1 . 1 81 81 ILE C C 13 178.67 0 . 1 . . . . . 81 ILE C . 51994 1 920 . 1 . 1 81 81 ILE CA C 13 61.53 0 . 1 . . . . . 81 ILE CA . 51994 1 921 . 1 . 1 81 81 ILE CB C 13 38.17 0 . 1 . . . . . 81 ILE CB . 51994 1 922 . 1 . 1 81 81 ILE CG1 C 13 26.118 0 . 1 . . . . . 81 ILE CG1 . 51994 1 923 . 1 . 1 81 81 ILE CG2 C 13 16.959 0 . 1 . . . . . 81 ILE CG2 . 51994 1 924 . 1 . 1 81 81 ILE CD1 C 13 13.085 0 . 1 . . . . . 81 ILE CD1 . 51994 1 925 . 1 . 1 81 81 ILE N N 15 125.853 0 . 1 . . . . . 81 ILE N . 51994 1 926 . 1 . 1 82 82 LEU H H 1 9.149 0 . 1 . . . . . 82 LEU H . 51994 1 927 . 1 . 1 82 82 LEU HA H 1 5.493 0 . 1 . . . . . 82 LEU HA . 51994 1 928 . 1 . 1 82 82 LEU HB2 H 1 2.074 0 . 2 . . . . . 82 LEU HB2 . 51994 1 929 . 1 . 1 82 82 LEU HB3 H 1 2.074 0 . 2 . . . . . 82 LEU HB3 . 51994 1 930 . 1 . 1 82 82 LEU HG H 1 1.823 0 . 1 . . . . . 82 LEU HG . 51994 1 931 . 1 . 1 82 82 LEU HD11 H 1 0.724 0 . 2 . . . . . 82 LEU MD1 . 51994 1 932 . 1 . 1 82 82 LEU HD12 H 1 0.724 0 . 2 . . . . . 82 LEU MD1 . 51994 1 933 . 1 . 1 82 82 LEU HD13 H 1 0.724 0 . 2 . . . . . 82 LEU MD1 . 51994 1 934 . 1 . 1 82 82 LEU HD21 H 1 0.724 0 . 2 . . . . . 82 LEU MD2 . 51994 1 935 . 1 . 1 82 82 LEU HD22 H 1 0.724 0 . 2 . . . . . 82 LEU MD2 . 51994 1 936 . 1 . 1 82 82 LEU HD23 H 1 0.724 0 . 2 . . . . . 82 LEU MD2 . 51994 1 937 . 1 . 1 82 82 LEU C C 13 176.76 0 . 1 . . . . . 82 LEU C . 51994 1 938 . 1 . 1 82 82 LEU CA C 13 52.99 0 . 1 . . . . . 82 LEU CA . 51994 1 939 . 1 . 1 82 82 LEU CB C 13 46.72 0 . 1 . . . . . 82 LEU CB . 51994 1 940 . 1 . 1 82 82 LEU CG C 13 26.6 0 . 1 . . . . . 82 LEU CG . 51994 1 941 . 1 . 1 82 82 LEU CD1 C 13 21.284 0 . 2 . . . . . 82 LEU CD1 . 51994 1 942 . 1 . 1 82 82 LEU CD2 C 13 21.284 0 . 2 . . . . . 82 LEU CD2 . 51994 1 943 . 1 . 1 82 82 LEU N N 15 129.174 0 . 1 . . . . . 82 LEU N . 51994 1 944 . 1 . 1 83 83 VAL H H 1 8.929 0 . 1 . . . . . 83 VAL H . 51994 1 945 . 1 . 1 83 83 VAL HA H 1 4.759 0 . 1 . . . . . 83 VAL HA . 51994 1 946 . 1 . 1 83 83 VAL HB H 1 1.926 0 . 1 . . . . . 83 VAL HB . 51994 1 947 . 1 . 1 83 83 VAL HG11 H 1 1.095 0 . 2 . . . . . 83 VAL MG1 . 51994 1 948 . 1 . 1 83 83 VAL HG12 H 1 1.095 0 . 2 . . . . . 83 VAL MG1 . 51994 1 949 . 1 . 1 83 83 VAL HG13 H 1 1.095 0 . 2 . . . . . 83 VAL MG1 . 51994 1 950 . 1 . 1 83 83 VAL HG21 H 1 1.095 0 . 2 . . . . . 83 VAL MG2 . 51994 1 951 . 1 . 1 83 83 VAL HG22 H 1 1.095 0 . 2 . . . . . 83 VAL MG2 . 51994 1 952 . 1 . 1 83 83 VAL HG23 H 1 1.095 0 . 2 . . . . . 83 VAL MG2 . 51994 1 953 . 1 . 1 83 83 VAL C C 13 178.3 0 . 1 . . . . . 83 VAL C . 51994 1 954 . 1 . 1 83 83 VAL CA C 13 60.92 0 . 1 . . . . . 83 VAL CA . 51994 1 955 . 1 . 1 83 83 VAL CB C 13 34.75 0 . 1 . . . . . 83 VAL CB . 51994 1 956 . 1 . 1 83 83 VAL CG1 C 13 22.581 0 . 2 . . . . . 83 VAL CG1 . 51994 1 957 . 1 . 1 83 83 VAL CG2 C 13 20.675 0 . 2 . . . . . 83 VAL CG2 . 51994 1 958 . 1 . 1 83 83 VAL N N 15 124.633 0 . 1 . . . . . 83 VAL N . 51994 1 959 . 1 . 1 84 84 ALA H H 1 9.111 0 . 1 . . . . . 84 ALA H . 51994 1 960 . 1 . 1 84 84 ALA HA H 1 5.067 0 . 1 . . . . . 84 ALA HA . 51994 1 961 . 1 . 1 84 84 ALA HB1 H 1 1.297 0 . 1 . . . . . 84 ALA MB . 51994 1 962 . 1 . 1 84 84 ALA HB2 H 1 1.297 0 . 1 . . . . . 84 ALA MB . 51994 1 963 . 1 . 1 84 84 ALA HB3 H 1 1.297 0 . 1 . . . . . 84 ALA MB . 51994 1 964 . 1 . 1 84 84 ALA C C 13 174.41 0 . 1 . . . . . 84 ALA C . 51994 1 965 . 1 . 1 84 84 ALA CA C 13 49.77 0 . 1 . . . . . 84 ALA CA . 51994 1 966 . 1 . 1 84 84 ALA CB C 13 20.74 0 . 1 . . . . . 84 ALA CB . 51994 1 967 . 1 . 1 84 84 ALA N N 15 130.262 0 . 1 . . . . . 84 ALA N . 51994 1 968 . 1 . 1 85 85 ARG H H 1 8.676 0 . 1 . . . . . 85 ARG H . 51994 1 969 . 1 . 1 85 85 ARG HA H 1 4.006 0 . 1 . . . . . 85 ARG HA . 51994 1 970 . 1 . 1 85 85 ARG HB2 H 1 2.413 0 . 2 . . . . . 85 ARG HB2 . 51994 1 971 . 1 . 1 85 85 ARG HB3 H 1 2.413 0 . 2 . . . . . 85 ARG HB3 . 51994 1 972 . 1 . 1 85 85 ARG HG2 H 1 1.409 0 . 2 . . . . . 85 ARG HG2 . 51994 1 973 . 1 . 1 85 85 ARG HG3 H 1 1.409 0 . 2 . . . . . 85 ARG HG3 . 51994 1 974 . 1 . 1 85 85 ARG HD2 H 1 2.763 0 . 2 . . . . . 85 ARG HD2 . 51994 1 975 . 1 . 1 85 85 ARG HD3 H 1 2.763 0 . 2 . . . . . 85 ARG HD3 . 51994 1 976 . 1 . 1 85 85 ARG C C 13 172.52 0 . 1 . . . . . 85 ARG C . 51994 1 977 . 1 . 1 85 85 ARG CA C 13 60.34 0 . 1 . . . . . 85 ARG CA . 51994 1 978 . 1 . 1 85 85 ARG CB C 13 31.5 0 . 1 . . . . . 85 ARG CB . 51994 1 979 . 1 . 1 85 85 ARG CG C 13 29.122 0 . 1 . . . . . 85 ARG CG . 51994 1 980 . 1 . 1 85 85 ARG CD C 13 41.703 0 . 1 . . . . . 85 ARG CD . 51994 1 981 . 1 . 1 85 85 ARG N N 15 123.473 0 . 1 . . . . . 85 ARG N . 51994 1 982 . 1 . 1 86 86 GLU H H 1 8.869 0 . 1 . . . . . 86 GLU H . 51994 1 983 . 1 . 1 86 86 GLU HA H 1 4.068 0 . 1 . . . . . 86 GLU HA . 51994 1 984 . 1 . 1 86 86 GLU HB2 H 1 2.093 0 . 2 . . . . . 86 GLU HB2 . 51994 1 985 . 1 . 1 86 86 GLU HB3 H 1 2.093 0 . 2 . . . . . 86 GLU HB3 . 51994 1 986 . 1 . 1 86 86 GLU HG2 H 1 2.252 0 . 2 . . . . . 86 GLU HG2 . 51994 1 987 . 1 . 1 86 86 GLU HG3 H 1 2.252 0 . 2 . . . . . 86 GLU HG3 . 51994 1 988 . 1 . 1 86 86 GLU HE2 H 1 3.929 0 . 1 . . . . . 86 GLU HE2 . 51994 1 989 . 1 . 1 86 86 GLU C C 13 172.77 0 . 1 . . . . . 86 GLU C . 51994 1 990 . 1 . 1 86 86 GLU CA C 13 60.25 0 . 1 . . . . . 86 GLU CA . 51994 1 991 . 1 . 1 86 86 GLU CB C 13 28.58 0 . 1 . . . . . 86 GLU CB . 51994 1 992 . 1 . 1 86 86 GLU CG C 13 36.298 0 . 1 . . . . . 86 GLU CG . 51994 1 993 . 1 . 1 86 86 GLU N N 15 120.32 0 . 1 . . . . . 86 GLU N . 51994 1 994 . 1 . 1 87 87 GLU H H 1 9.265 0 . 1 . . . . . 87 GLU H . 51994 1 995 . 1 . 1 87 87 GLU HA H 1 4.073 0 . 1 . . . . . 87 GLU HA . 51994 1 996 . 1 . 1 87 87 GLU HB2 H 1 1.889 0 . 2 . . . . . 87 GLU HB2 . 51994 1 997 . 1 . 1 87 87 GLU HB3 H 1 1.889 0 . 2 . . . . . 87 GLU HB3 . 51994 1 998 . 1 . 1 87 87 GLU HG2 H 1 2.217 0 . 2 . . . . . 87 GLU HG2 . 51994 1 999 . 1 . 1 87 87 GLU HG3 H 1 2.217 0 . 2 . . . . . 87 GLU HG3 . 51994 1 1000 . 1 . 1 87 87 GLU HE2 H 1 3.862 0 . 1 . . . . . 87 GLU HE2 . 51994 1 1001 . 1 . 1 87 87 GLU C C 13 175.88 0 . 1 . . . . . 87 GLU C . 51994 1 1002 . 1 . 1 87 87 GLU CA C 13 58.7 0 . 1 . . . . . 87 GLU CA . 51994 1 1003 . 1 . 1 87 87 GLU CB C 13 28.62 0 . 1 . . . . . 87 GLU CB . 51994 1 1004 . 1 . 1 87 87 GLU CG C 13 37.068 0 . 1 . . . . . 87 GLU CG . 51994 1 1005 . 1 . 1 87 87 GLU N N 15 116.258 0 . 1 . . . . . 87 GLU N . 51994 1 1006 . 1 . 1 88 88 ARG H H 1 7.805 0 . 1 . . . . . 88 ARG H . 51994 1 1007 . 1 . 1 88 88 ARG HA H 1 3.962 0 . 1 . . . . . 88 ARG HA . 51994 1 1008 . 1 . 1 88 88 ARG HB2 H 1 2.206 0 . 2 . . . . . 88 ARG HB2 . 51994 1 1009 . 1 . 1 88 88 ARG HB3 H 1 1.79 0 . 2 . . . . . 88 ARG HB3 . 51994 1 1010 . 1 . 1 88 88 ARG HG2 H 1 1.553 0 . 2 . . . . . 88 ARG HG2 . 51994 1 1011 . 1 . 1 88 88 ARG HG3 H 1 1.553 0 . 2 . . . . . 88 ARG HG3 . 51994 1 1012 . 1 . 1 88 88 ARG C C 13 175.84 0 . 1 . . . . . 88 ARG C . 51994 1 1013 . 1 . 1 88 88 ARG CA C 13 56.96 0 . 1 . . . . . 88 ARG CA . 51994 1 1014 . 1 . 1 88 88 ARG CB C 13 26.92 0 . 1 . . . . . 88 ARG CB . 51994 1 1015 . 1 . 1 88 88 ARG CG C 13 29.151 0 . 1 . . . . . 88 ARG CG . 51994 1 1016 . 1 . 1 88 88 ARG CD C 13 44.38 0 . 1 . . . . . 88 ARG CD . 51994 1 1017 . 1 . 1 88 88 ARG N N 15 115.385 0 . 1 . . . . . 88 ARG N . 51994 1 1018 . 1 . 1 89 89 GLU H H 1 7.632 0 . 1 . . . . . 89 GLU H . 51994 1 1019 . 1 . 1 89 89 GLU HA H 1 4.909 0 . 1 . . . . . 89 GLU HA . 51994 1 1020 . 1 . 1 89 89 GLU HB2 H 1 1.678 0 . 2 . . . . . 89 GLU HB2 . 51994 1 1021 . 1 . 1 89 89 GLU HB3 H 1 1.678 0 . 2 . . . . . 89 GLU HB3 . 51994 1 1022 . 1 . 1 89 89 GLU HG2 H 1 1.978 0 . 2 . . . . . 89 GLU HG2 . 51994 1 1023 . 1 . 1 89 89 GLU HG3 H 1 1.978 0 . 2 . . . . . 89 GLU HG3 . 51994 1 1024 . 1 . 1 89 89 GLU HE2 H 1 7.376 0 . 1 . . . . . 89 GLU HE2 . 51994 1 1025 . 1 . 1 89 89 GLU C C 13 176.53 0 . 1 . . . . . 89 GLU C . 51994 1 1026 . 1 . 1 89 89 GLU CA C 13 55.17 0 . 1 . . . . . 89 GLU CA . 51994 1 1027 . 1 . 1 89 89 GLU CB C 13 34.48 0 . 1 . . . . . 89 GLU CB . 51994 1 1028 . 1 . 1 89 89 GLU CG C 13 35.913 0 . 1 . . . . . 89 GLU CG . 51994 1 1029 . 1 . 1 89 89 GLU N N 15 116.83 0 . 1 . . . . . 89 GLU N . 51994 1 1030 . 1 . 1 90 90 VAL H H 1 8.317 0 . 1 . . . . . 90 VAL H . 51994 1 1031 . 1 . 1 90 90 VAL HA H 1 5.276 0 . 1 . . . . . 90 VAL HA . 51994 1 1032 . 1 . 1 90 90 VAL HB H 1 1.889 0 . 1 . . . . . 90 VAL HB . 51994 1 1033 . 1 . 1 90 90 VAL HG11 H 1 0.963 0 . 2 . . . . . 90 VAL MG1 . 51994 1 1034 . 1 . 1 90 90 VAL HG12 H 1 0.963 0 . 2 . . . . . 90 VAL MG1 . 51994 1 1035 . 1 . 1 90 90 VAL HG13 H 1 0.963 0 . 2 . . . . . 90 VAL MG1 . 51994 1 1036 . 1 . 1 90 90 VAL HG21 H 1 0.82 0 . 2 . . . . . 90 VAL MG2 . 51994 1 1037 . 1 . 1 90 90 VAL HG22 H 1 0.82 0 . 2 . . . . . 90 VAL MG2 . 51994 1 1038 . 1 . 1 90 90 VAL HG23 H 1 0.82 0 . 2 . . . . . 90 VAL MG2 . 51994 1 1039 . 1 . 1 90 90 VAL C C 13 178 0 . 1 . . . . . 90 VAL C . 51994 1 1040 . 1 . 1 90 90 VAL CA C 13 60.02 0 . 1 . . . . . 90 VAL CA . 51994 1 1041 . 1 . 1 90 90 VAL CB C 13 35.5 0 . 1 . . . . . 90 VAL CB . 51994 1 1042 . 1 . 1 90 90 VAL CG1 C 13 20.873 0 . 2 . . . . . 90 VAL CG1 . 51994 1 1043 . 1 . 1 90 90 VAL CG2 C 13 20.873 0 . 2 . . . . . 90 VAL CG2 . 51994 1 1044 . 1 . 1 90 90 VAL N N 15 121.121 0 . 1 . . . . . 90 VAL N . 51994 1 1045 . 1 . 1 91 91 PHE H H 1 9.256 0 . 1 . . . . . 91 PHE H . 51994 1 1046 . 1 . 1 91 91 PHE HA H 1 4.513 0 . 1 . . . . . 91 PHE HA . 51994 1 1047 . 1 . 1 91 91 PHE HB2 H 1 2.868 0 . 2 . . . . . 91 PHE HB2 . 51994 1 1048 . 1 . 1 91 91 PHE HB3 H 1 2.646 0 . 2 . . . . . 91 PHE HB3 . 51994 1 1049 . 1 . 1 91 91 PHE HD1 H 1 7.133 0 . 3 . . . . . 91 PHE HD1 . 51994 1 1050 . 1 . 1 91 91 PHE HD2 H 1 7.133 0 . 3 . . . . . 91 PHE HD2 . 51994 1 1051 . 1 . 1 91 91 PHE HE1 H 1 7.433 0 . 3 . . . . . 91 PHE HE1 . 51994 1 1052 . 1 . 1 91 91 PHE HE2 H 1 7.433 0 . 3 . . . . . 91 PHE HE2 . 51994 1 1053 . 1 . 1 91 91 PHE C C 13 179.25 0 . 1 . . . . . 91 PHE C . 51994 1 1054 . 1 . 1 91 91 PHE CA C 13 58.4 0 . 1 . . . . . 91 PHE CA . 51994 1 1055 . 1 . 1 91 91 PHE CB C 13 44.83 0 . 1 . . . . . 91 PHE CB . 51994 1 1056 . 1 . 1 91 91 PHE CD1 C 13 132.286 0 . 3 . . . . . 91 PHE CD1 . 51994 1 1057 . 1 . 1 91 91 PHE CD2 C 13 132.286 0 . 3 . . . . . 91 PHE CD2 . 51994 1 1058 . 1 . 1 91 91 PHE CE1 C 13 130.427 0 . 3 . . . . . 91 PHE CE1 . 51994 1 1059 . 1 . 1 91 91 PHE CE2 C 13 130.427 0 . 3 . . . . . 91 PHE CE2 . 51994 1 1060 . 1 . 1 91 91 PHE N N 15 126.962 0 . 1 . . . . . 91 PHE N . 51994 1 1061 . 1 . 1 92 92 ILE H H 1 7.581 0 . 1 . . . . . 92 ILE H . 51994 1 1062 . 1 . 1 92 92 ILE HA H 1 4.768 0 . 1 . . . . . 92 ILE HA . 51994 1 1063 . 1 . 1 92 92 ILE HB H 1 1.329 0 . 1 . . . . . 92 ILE HB . 51994 1 1064 . 1 . 1 92 92 ILE HG12 H 1 0.786 0 . 2 . . . . . 92 ILE HG12 . 51994 1 1065 . 1 . 1 92 92 ILE HG13 H 1 0.786 0 . 2 . . . . . 92 ILE HG13 . 51994 1 1066 . 1 . 1 92 92 ILE HG21 H 1 0.357 0 . 1 . . . . . 92 ILE MG . 51994 1 1067 . 1 . 1 92 92 ILE HG22 H 1 0.357 0 . 1 . . . . . 92 ILE MG . 51994 1 1068 . 1 . 1 92 92 ILE HG23 H 1 0.357 0 . 1 . . . . . 92 ILE MG . 51994 1 1069 . 1 . 1 92 92 ILE HD11 H 1 0.357 0 . 1 . . . . . 92 ILE MD . 51994 1 1070 . 1 . 1 92 92 ILE HD12 H 1 0.357 0 . 1 . . . . . 92 ILE MD . 51994 1 1071 . 1 . 1 92 92 ILE HD13 H 1 0.357 0 . 1 . . . . . 92 ILE MD . 51994 1 1072 . 1 . 1 92 92 ILE C C 13 178.96 0 . 1 . . . . . 92 ILE C . 51994 1 1073 . 1 . 1 92 92 ILE CA C 13 60.24 0 . 1 . . . . . 92 ILE CA . 51994 1 1074 . 1 . 1 92 92 ILE CB C 13 38.7 0 . 1 . . . . . 92 ILE CB . 51994 1 1075 . 1 . 1 92 92 ILE CG1 C 13 26.553 0 . 1 . . . . . 92 ILE CG1 . 51994 1 1076 . 1 . 1 92 92 ILE CG2 C 13 17.521 0 . 1 . . . . . 92 ILE CG2 . 51994 1 1077 . 1 . 1 92 92 ILE CD1 C 13 14.51 0 . 1 . . . . . 92 ILE CD1 . 51994 1 1078 . 1 . 1 92 92 ILE N N 15 126.163 0 . 1 . . . . . 92 ILE N . 51994 1 1079 . 1 . 1 93 93 ALA H H 1 9.324 0 . 1 . . . . . 93 ALA H . 51994 1 1080 . 1 . 1 93 93 ALA HA H 1 4.929 0 . 1 . . . . . 93 ALA HA . 51994 1 1081 . 1 . 1 93 93 ALA HB1 H 1 1.653 0 . 1 . . . . . 93 ALA MB . 51994 1 1082 . 1 . 1 93 93 ALA HB2 H 1 1.653 0 . 1 . . . . . 93 ALA MB . 51994 1 1083 . 1 . 1 93 93 ALA HB3 H 1 1.653 0 . 1 . . . . . 93 ALA MB . 51994 1 1084 . 1 . 1 93 93 ALA C C 13 174.59 0 . 1 . . . . . 93 ALA C . 51994 1 1085 . 1 . 1 93 93 ALA CA C 13 50.32 0 . 1 . . . . . 93 ALA CA . 51994 1 1086 . 1 . 1 93 93 ALA CB C 13 20.97 0 . 1 . . . . . 93 ALA CB . 51994 1 1087 . 1 . 1 93 93 ALA N N 15 129.329 0 . 1 . . . . . 93 ALA N . 51994 1 1088 . 1 . 1 94 94 THR H H 1 8.418 0 . 1 . . . . . 94 THR H . 51994 1 1089 . 1 . 1 94 94 THR HA H 1 4.736 0 . 1 . . . . . 94 THR HA . 51994 1 1090 . 1 . 1 94 94 THR HB H 1 4.499 0 . 1 . . . . . 94 THR HB . 51994 1 1091 . 1 . 1 94 94 THR HG1 H 1 5.03 0 . 1 . . . . . 94 THR HG1 . 51994 1 1092 . 1 . 1 94 94 THR HG21 H 1 1.111 0 . 1 . . . . . 94 THR MG . 51994 1 1093 . 1 . 1 94 94 THR HG22 H 1 1.111 0 . 1 . . . . . 94 THR MG . 51994 1 1094 . 1 . 1 94 94 THR HG23 H 1 1.111 0 . 1 . . . . . 94 THR MG . 51994 1 1095 . 1 . 1 94 94 THR C C 13 176.72 0 . 1 . . . . . 94 THR C . 51994 1 1096 . 1 . 1 94 94 THR CA C 13 60.9 0 . 1 . . . . . 94 THR CA . 51994 1 1097 . 1 . 1 94 94 THR CB C 13 70.22 0 . 1 . . . . . 94 THR CB . 51994 1 1098 . 1 . 1 94 94 THR CG2 C 13 21.984 0 . 1 . . . . . 94 THR CG2 . 51994 1 1099 . 1 . 1 94 94 THR N N 15 113.554 0 . 1 . . . . . 94 THR N . 51994 1 1100 . 1 . 1 95 95 GLY H H 1 8.491 0 . 1 . . . . . 95 GLY H . 51994 1 1101 . 1 . 1 95 95 GLY HA2 H 1 4.22 0 . 2 . . . . . 95 GLY HA2 . 51994 1 1102 . 1 . 1 95 95 GLY HA3 H 1 3.929 0 . 2 . . . . . 95 GLY HA3 . 51994 1 1103 . 1 . 1 95 95 GLY C C 13 177.18 0 . 1 . . . . . 95 GLY C . 51994 1 1104 . 1 . 1 95 95 GLY CA C 13 46 0 . 1 . . . . . 95 GLY CA . 51994 1 1105 . 1 . 1 95 95 GLY N N 15 110.117 0 . 1 . . . . . 95 GLY N . 51994 1 1106 . 1 . 1 96 96 TYR H H 1 7.923 0 . 1 . . . . . 96 TYR H . 51994 1 1107 . 1 . 1 96 96 TYR HA H 1 4.642 0 . 1 . . . . . 96 TYR HA . 51994 1 1108 . 1 . 1 96 96 TYR HB2 H 1 3.203 0 . 2 . . . . . 96 TYR HB2 . 51994 1 1109 . 1 . 1 96 96 TYR HB3 H 1 2.98 0 . 2 . . . . . 96 TYR HB3 . 51994 1 1110 . 1 . 1 96 96 TYR HD1 H 1 7.242 0 . 3 . . . . . 96 TYR HD1 . 51994 1 1111 . 1 . 1 96 96 TYR HD2 H 1 7.242 0 . 3 . . . . . 96 TYR HD2 . 51994 1 1112 . 1 . 1 96 96 TYR HE1 H 1 6.95 0 . 3 . . . . . 96 TYR HE1 . 51994 1 1113 . 1 . 1 96 96 TYR HE2 H 1 6.95 0 . 3 . . . . . 96 TYR HE2 . 51994 1 1114 . 1 . 1 96 96 TYR C C 13 174.61 0 . 1 . . . . . 96 TYR C . 51994 1 1115 . 1 . 1 96 96 TYR CA C 13 58.25 0 . 1 . . . . . 96 TYR CA . 51994 1 1116 . 1 . 1 96 96 TYR CB C 13 38.26 0 . 1 . . . . . 96 TYR CB . 51994 1 1117 . 1 . 1 96 96 TYR CD1 C 13 133.577 0 . 3 . . . . . 96 TYR CD1 . 51994 1 1118 . 1 . 1 96 96 TYR CD2 C 13 133.577 0 . 3 . . . . . 96 TYR CD2 . 51994 1 1119 . 1 . 1 96 96 TYR CE1 C 13 118.644 0 . 3 . . . . . 96 TYR CE1 . 51994 1 1120 . 1 . 1 96 96 TYR CE2 C 13 118.644 0 . 3 . . . . . 96 TYR CE2 . 51994 1 1121 . 1 . 1 96 96 TYR N N 15 120.371 0 . 1 . . . . . 96 TYR N . 51994 1 1122 . 1 . 1 97 97 GLY H H 1 8.723 0 . 1 . . . . . 97 GLY H . 51994 1 1123 . 1 . 1 97 97 GLY HA2 H 1 4.006 0 . 2 . . . . . 97 GLY HA2 . 51994 1 1124 . 1 . 1 97 97 GLY HA3 H 1 3.815 0 . 2 . . . . . 97 GLY HA3 . 51994 1 1125 . 1 . 1 97 97 GLY C C 13 176.39 0 . 1 . . . . . 97 GLY C . 51994 1 1126 . 1 . 1 97 97 GLY CA C 13 45.57 0 . 1 . . . . . 97 GLY CA . 51994 1 1127 . 1 . 1 97 97 GLY N N 15 109.934 0 . 1 . . . . . 97 GLY N . 51994 1 1128 . 1 . 1 98 98 LEU H H 1 7.989 0 . 1 . . . . . 98 LEU H . 51994 1 1129 . 1 . 1 98 98 LEU HA H 1 4.594 0 . 1 . . . . . 98 LEU HA . 51994 1 1130 . 1 . 1 98 98 LEU HB2 H 1 1.782 0 . 2 . . . . . 98 LEU HB2 . 51994 1 1131 . 1 . 1 98 98 LEU HB3 H 1 1.782 0 . 2 . . . . . 98 LEU HB3 . 51994 1 1132 . 1 . 1 98 98 LEU HG H 1 1.558 0 . 1 . . . . . 98 LEU HG . 51994 1 1133 . 1 . 1 98 98 LEU HD11 H 1 0.823 0 . 2 . . . . . 98 LEU MD1 . 51994 1 1134 . 1 . 1 98 98 LEU HD12 H 1 0.823 0 . 2 . . . . . 98 LEU MD1 . 51994 1 1135 . 1 . 1 98 98 LEU HD13 H 1 0.823 0 . 2 . . . . . 98 LEU MD1 . 51994 1 1136 . 1 . 1 98 98 LEU HD21 H 1 0.823 0 . 2 . . . . . 98 LEU MD2 . 51994 1 1137 . 1 . 1 98 98 LEU HD22 H 1 0.823 0 . 2 . . . . . 98 LEU MD2 . 51994 1 1138 . 1 . 1 98 98 LEU HD23 H 1 0.823 0 . 2 . . . . . 98 LEU MD2 . 51994 1 1139 . 1 . 1 98 98 LEU C C 13 174.17 0 . 1 . . . . . 98 LEU C . 51994 1 1140 . 1 . 1 98 98 LEU CA C 13 55.17 0 . 1 . . . . . 98 LEU CA . 51994 1 1141 . 1 . 1 98 98 LEU CB C 13 43.21 0 . 1 . . . . . 98 LEU CB . 51994 1 1142 . 1 . 1 98 98 LEU CG C 13 25.576 0 . 1 . . . . . 98 LEU CG . 51994 1 1143 . 1 . 1 98 98 LEU CD1 C 13 23.154 0 . 2 . . . . . 98 LEU CD1 . 51994 1 1144 . 1 . 1 98 98 LEU CD2 C 13 23.154 0 . 2 . . . . . 98 LEU CD2 . 51994 1 1145 . 1 . 1 98 98 LEU N N 15 120.489 0 . 1 . . . . . 98 LEU N . 51994 1 1146 . 1 . 1 99 99 GLU H H 1 8.713 0 . 1 . . . . . 99 GLU H . 51994 1 1147 . 1 . 1 99 99 GLU HA H 1 4.185 0 . 1 . . . . . 99 GLU HA . 51994 1 1148 . 1 . 1 99 99 GLU HB2 H 1 2.083 0 . 2 . . . . . 99 GLU HB2 . 51994 1 1149 . 1 . 1 99 99 GLU HB3 H 1 2.083 0 . 2 . . . . . 99 GLU HB3 . 51994 1 1150 . 1 . 1 99 99 GLU HG2 H 1 2.286 0 . 2 . . . . . 99 GLU HG2 . 51994 1 1151 . 1 . 1 99 99 GLU HG3 H 1 2.286 0 . 2 . . . . . 99 GLU HG3 . 51994 1 1152 . 1 . 1 99 99 GLU HE2 H 1 3.644 0 . 1 . . . . . 99 GLU HE2 . 51994 1 1153 . 1 . 1 99 99 GLU C C 13 174.17 0 . 1 . . . . . 99 GLU C . 51994 1 1154 . 1 . 1 99 99 GLU CA C 13 58.26 0 . 1 . . . . . 99 GLU CA . 51994 1 1155 . 1 . 1 99 99 GLU CB C 13 29.44 0 . 1 . . . . . 99 GLU CB . 51994 1 1156 . 1 . 1 99 99 GLU CG C 13 35.766 0 . 1 . . . . . 99 GLU CG . 51994 1 1157 . 1 . 1 99 99 GLU N N 15 120.027 0 . 1 . . . . . 99 GLU N . 51994 1 1158 . 1 . 1 100 100 GLY H H 1 8.29 0 . 1 . . . . . 100 GLY H . 51994 1 1159 . 1 . 1 100 100 GLY HA2 H 1 4.048 0 . 2 . . . . . 100 GLY HA2 . 51994 1 1160 . 1 . 1 100 100 GLY HA3 H 1 3.827 0 . 2 . . . . . 100 GLY HA3 . 51994 1 1161 . 1 . 1 100 100 GLY C C 13 176.83 0 . 1 . . . . . 100 GLY C . 51994 1 1162 . 1 . 1 100 100 GLY CA C 13 45.96 0 . 1 . . . . . 100 GLY CA . 51994 1 1163 . 1 . 1 100 100 GLY N N 15 107.516 0 . 1 . . . . . 100 GLY N . 51994 1 1164 . 1 . 1 101 101 ALA H H 1 7.794 0 . 1 . . . . . 101 ALA H . 51994 1 1165 . 1 . 1 101 101 ALA HA H 1 4.328 0 . 1 . . . . . 101 ALA HA . 51994 1 1166 . 1 . 1 101 101 ALA HB1 H 1 1.393 0 . 1 . . . . . 101 ALA MB . 51994 1 1167 . 1 . 1 101 101 ALA HB2 H 1 1.393 0 . 1 . . . . . 101 ALA MB . 51994 1 1168 . 1 . 1 101 101 ALA HB3 H 1 1.393 0 . 1 . . . . . 101 ALA MB . 51994 1 1169 . 1 . 1 101 101 ALA C C 13 174.11 0 . 1 . . . . . 101 ALA C . 51994 1 1170 . 1 . 1 101 101 ALA CA C 13 53.51 0 . 1 . . . . . 101 ALA CA . 51994 1 1171 . 1 . 1 101 101 ALA CB C 13 19.7 0 . 1 . . . . . 101 ALA CB . 51994 1 1172 . 1 . 1 101 101 ALA N N 15 122.53 0 . 1 . . . . . 101 ALA N . 51994 1 1173 . 1 . 1 102 102 ILE H H 1 7.971 0 . 1 . . . . . 102 ILE H . 51994 1 1174 . 1 . 1 102 102 ILE HA H 1 4.44 0 . 1 . . . . . 102 ILE HA . 51994 1 1175 . 1 . 1 102 102 ILE HB H 1 1.903 0 . 1 . . . . . 102 ILE HB . 51994 1 1176 . 1 . 1 102 102 ILE HG12 H 1 1.382 0 . 2 . . . . . 102 ILE HG12 . 51994 1 1177 . 1 . 1 102 102 ILE HG13 H 1 1.382 0 . 2 . . . . . 102 ILE HG13 . 51994 1 1178 . 1 . 1 102 102 ILE HG21 H 1 0.854 0 . 1 . . . . . 102 ILE MG . 51994 1 1179 . 1 . 1 102 102 ILE HG22 H 1 0.854 0 . 1 . . . . . 102 ILE MG . 51994 1 1180 . 1 . 1 102 102 ILE HG23 H 1 0.854 0 . 1 . . . . . 102 ILE MG . 51994 1 1181 . 1 . 1 102 102 ILE HD11 H 1 0.711 0 . 1 . . . . . 102 ILE MD . 51994 1 1182 . 1 . 1 102 102 ILE HD12 H 1 0.711 0 . 1 . . . . . 102 ILE MD . 51994 1 1183 . 1 . 1 102 102 ILE HD13 H 1 0.711 0 . 1 . . . . . 102 ILE MD . 51994 1 1184 . 1 . 1 102 102 ILE C C 13 179.74 0 . 1 . . . . . 102 ILE C . 51994 1 1185 . 1 . 1 102 102 ILE CA C 13 58.27 0 . 1 . . . . . 102 ILE CA . 51994 1 1186 . 1 . 1 102 102 ILE CB C 13 37.81 0 . 1 . . . . . 102 ILE CB . 51994 1 1187 . 1 . 1 102 102 ILE N N 15 113.842 0 . 1 . . . . . 102 ILE N . 51994 1 1188 . 1 . 1 103 103 PRO C C 13 173.099 0 . 1 . . . . . 103 PRO C . 51994 1 1189 . 1 . 1 103 103 PRO CA C 13 60.066 0 . 1 . . . . . 103 PRO CA . 51994 1 1190 . 1 . 1 103 103 PRO CB C 13 32.29 0 . 1 . . . . . 103 PRO CB . 51994 1 1191 . 1 . 1 104 104 ASP H H 1 8.219 0 . 1 . . . . . 104 ASP H . 51994 1 1192 . 1 . 1 104 104 ASP HA H 1 4.402 0 . 1 . . . . . 104 ASP HA . 51994 1 1193 . 1 . 1 104 104 ASP HB2 H 1 2.758 0 . 2 . . . . . 104 ASP HB2 . 51994 1 1194 . 1 . 1 104 104 ASP HB3 H 1 2.758 0 . 2 . . . . . 104 ASP HB3 . 51994 1 1195 . 1 . 1 104 104 ASP C C 13 172.461 0 . 1 . . . . . 104 ASP C . 51994 1 1196 . 1 . 1 104 104 ASP CA C 13 57.89 0 . 1 . . . . . 104 ASP CA . 51994 1 1197 . 1 . 1 104 104 ASP CB C 13 40.41 0 . 1 . . . . . 104 ASP CB . 51994 1 1198 . 1 . 1 104 104 ASP N N 15 119.207 0 . 1 . . . . . 104 ASP N . 51994 1 1199 . 1 . 1 105 105 ALA H H 1 8.844 0 . 1 . . . . . 105 ALA H . 51994 1 1200 . 1 . 1 105 105 ALA HA H 1 4.759 0 . 1 . . . . . 105 ALA HA . 51994 1 1201 . 1 . 1 105 105 ALA HB1 H 1 1.446 0 . 1 . . . . . 105 ALA MB . 51994 1 1202 . 1 . 1 105 105 ALA HB2 H 1 1.446 0 . 1 . . . . . 105 ALA MB . 51994 1 1203 . 1 . 1 105 105 ALA HB3 H 1 1.446 0 . 1 . . . . . 105 ALA MB . 51994 1 1204 . 1 . 1 105 105 ALA C C 13 171.07 0 . 1 . . . . . 105 ALA C . 51994 1 1205 . 1 . 1 105 105 ALA CA C 13 55.886 0 . 1 . . . . . 105 ALA CA . 51994 1 1206 . 1 . 1 105 105 ALA CB C 13 18.31 0 . 1 . . . . . 105 ALA CB . 51994 1 1207 . 1 . 1 105 105 ALA N N 15 119.598 0 . 1 . . . . . 105 ALA N . 51994 1 1208 . 1 . 1 106 106 LEU H H 1 7.207 0 . 1 . . . . . 106 LEU H . 51994 1 1209 . 1 . 1 106 106 LEU HA H 1 4.189 0 . 1 . . . . . 106 LEU HA . 51994 1 1210 . 1 . 1 106 106 LEU HB2 H 1 1.772 0 . 2 . . . . . 106 LEU HB2 . 51994 1 1211 . 1 . 1 106 106 LEU HB3 H 1 1.656 0 . 2 . . . . . 106 LEU HB3 . 51994 1 1212 . 1 . 1 106 106 LEU HG H 1 1.494 0 . 1 . . . . . 106 LEU HG . 51994 1 1213 . 1 . 1 106 106 LEU HD11 H 1 0.87 0 . 2 . . . . . 106 LEU MD1 . 51994 1 1214 . 1 . 1 106 106 LEU HD12 H 1 0.87 0 . 2 . . . . . 106 LEU MD1 . 51994 1 1215 . 1 . 1 106 106 LEU HD13 H 1 0.87 0 . 2 . . . . . 106 LEU MD1 . 51994 1 1216 . 1 . 1 106 106 LEU HD21 H 1 0.87 0 . 2 . . . . . 106 LEU MD2 . 51994 1 1217 . 1 . 1 106 106 LEU HD22 H 1 0.87 0 . 2 . . . . . 106 LEU MD2 . 51994 1 1218 . 1 . 1 106 106 LEU HD23 H 1 0.87 0 . 2 . . . . . 106 LEU MD2 . 51994 1 1219 . 1 . 1 106 106 LEU C C 13 173.32 0 . 1 . . . . . 106 LEU C . 51994 1 1220 . 1 . 1 106 106 LEU CA C 13 57.34 0 . 1 . . . . . 106 LEU CA . 51994 1 1221 . 1 . 1 106 106 LEU CB C 13 41.6 0 . 1 . . . . . 106 LEU CB . 51994 1 1222 . 1 . 1 106 106 LEU CG C 13 25.796 0 . 1 . . . . . 106 LEU CG . 51994 1 1223 . 1 . 1 106 106 LEU CD1 C 13 23.482 0 . 2 . . . . . 106 LEU CD1 . 51994 1 1224 . 1 . 1 106 106 LEU CD2 C 13 23.482 0 . 2 . . . . . 106 LEU CD2 . 51994 1 1225 . 1 . 1 106 106 LEU N N 15 119.145 0 . 1 . . . . . 106 LEU N . 51994 1 1226 . 1 . 1 107 107 ALA H H 1 7.982 0 . 1 . . . . . 107 ALA H . 51994 1 1227 . 1 . 1 107 107 ALA HA H 1 3.765 0 . 1 . . . . . 107 ALA HA . 51994 1 1228 . 1 . 1 107 107 ALA HB1 H 1 1.329 0 . 1 . . . . . 107 ALA MB . 51994 1 1229 . 1 . 1 107 107 ALA HB2 H 1 1.329 0 . 1 . . . . . 107 ALA MB . 51994 1 1230 . 1 . 1 107 107 ALA HB3 H 1 1.329 0 . 1 . . . . . 107 ALA MB . 51994 1 1231 . 1 . 1 107 107 ALA C C 13 172.09 0 . 1 . . . . . 107 ALA C . 51994 1 1232 . 1 . 1 107 107 ALA CA C 13 56 0 . 1 . . . . . 107 ALA CA . 51994 1 1233 . 1 . 1 107 107 ALA CB C 13 17 0 . 1 . . . . . 107 ALA CB . 51994 1 1234 . 1 . 1 107 107 ALA N N 15 122.03 0 . 1 . . . . . 107 ALA N . 51994 1 1235 . 1 . 1 108 108 GLY H H 1 8.256 0 . 1 . . . . . 108 GLY H . 51994 1 1236 . 1 . 1 108 108 GLY HA2 H 1 3.977 0 . 2 . . . . . 108 GLY HA2 . 51994 1 1237 . 1 . 1 108 108 GLY HA3 H 1 3.748 0 . 2 . . . . . 108 GLY HA3 . 51994 1 1238 . 1 . 1 108 108 GLY C C 13 175.15 0 . 1 . . . . . 108 GLY C . 51994 1 1239 . 1 . 1 108 108 GLY CA C 13 46.94 0 . 1 . . . . . 108 GLY CA . 51994 1 1240 . 1 . 1 108 108 GLY N N 15 101.774 0 . 1 . . . . . 108 GLY N . 51994 1 1241 . 1 . 1 109 109 ARG H H 1 7.55 0 . 1 . . . . . 109 ARG H . 51994 1 1242 . 1 . 1 109 109 ARG HA H 1 4.073 0 . 1 . . . . . 109 ARG HA . 51994 1 1243 . 1 . 1 109 109 ARG HB2 H 1 2.149 0 . 2 . . . . . 109 ARG HB2 . 51994 1 1244 . 1 . 1 109 109 ARG HB3 H 1 2.062 0 . 2 . . . . . 109 ARG HB3 . 51994 1 1245 . 1 . 1 109 109 ARG HG2 H 1 1.408 0 . 2 . . . . . 109 ARG HG2 . 51994 1 1246 . 1 . 1 109 109 ARG HG3 H 1 1.408 0 . 2 . . . . . 109 ARG HG3 . 51994 1 1247 . 1 . 1 109 109 ARG HD2 H 1 3.164 0 . 2 . . . . . 109 ARG HD2 . 51994 1 1248 . 1 . 1 109 109 ARG HD3 H 1 3.164 0 . 2 . . . . . 109 ARG HD3 . 51994 1 1249 . 1 . 1 109 109 ARG C C 13 173.5 0 . 1 . . . . . 109 ARG C . 51994 1 1250 . 1 . 1 109 109 ARG CA C 13 59.77 0 . 1 . . . . . 109 ARG CA . 51994 1 1251 . 1 . 1 109 109 ARG CB C 13 29.79 0 . 1 . . . . . 109 ARG CB . 51994 1 1252 . 1 . 1 109 109 ARG CG C 13 26.903 0 . 1 . . . . . 109 ARG CG . 51994 1 1253 . 1 . 1 109 109 ARG N N 15 122.901 0 . 1 . . . . . 109 ARG N . 51994 1 1254 . 1 . 1 110 110 ILE H H 1 8.268 0 . 1 . . . . . 110 ILE H . 51994 1 1255 . 1 . 1 110 110 ILE HA H 1 4.137 0 . 1 . . . . . 110 ILE HA . 51994 1 1256 . 1 . 1 110 110 ILE HB H 1 1.885 0 . 1 . . . . . 110 ILE HB . 51994 1 1257 . 1 . 1 110 110 ILE HG12 H 1 1.382 0 . 2 . . . . . 110 ILE HG12 . 51994 1 1258 . 1 . 1 110 110 ILE HG13 H 1 1.382 0 . 2 . . . . . 110 ILE HG13 . 51994 1 1259 . 1 . 1 110 110 ILE HG21 H 1 0.823 0 . 1 . . . . . 110 ILE MG . 51994 1 1260 . 1 . 1 110 110 ILE HG22 H 1 0.823 0 . 1 . . . . . 110 ILE MG . 51994 1 1261 . 1 . 1 110 110 ILE HG23 H 1 0.823 0 . 1 . . . . . 110 ILE MG . 51994 1 1262 . 1 . 1 110 110 ILE HD11 H 1 0.615 0 . 1 . . . . . 110 ILE MD . 51994 1 1263 . 1 . 1 110 110 ILE HD12 H 1 0.615 0 . 1 . . . . . 110 ILE MD . 51994 1 1264 . 1 . 1 110 110 ILE HD13 H 1 0.615 0 . 1 . . . . . 110 ILE MD . 51994 1 1265 . 1 . 1 110 110 ILE C C 13 172.5 0 . 1 . . . . . 110 ILE C . 51994 1 1266 . 1 . 1 110 110 ILE CA C 13 66.02 0 . 1 . . . . . 110 ILE CA . 51994 1 1267 . 1 . 1 110 110 ILE CB C 13 37.54 0 . 1 . . . . . 110 ILE CB . 51994 1 1268 . 1 . 1 110 110 ILE CG1 C 13 29.848 0 . 1 . . . . . 110 ILE CG1 . 51994 1 1269 . 1 . 1 110 110 ILE CG2 C 13 17.699 0 . 1 . . . . . 110 ILE CG2 . 51994 1 1270 . 1 . 1 110 110 ILE CD1 C 13 13.845 0 . 1 . . . . . 110 ILE CD1 . 51994 1 1271 . 1 . 1 110 110 ILE N N 15 119.919 0 . 1 . . . . . 110 ILE N . 51994 1 1272 . 1 . 1 111 111 VAL H H 1 7.763 0 . 1 . . . . . 111 VAL H . 51994 1 1273 . 1 . 1 111 111 VAL HA H 1 3.287 0 . 1 . . . . . 111 VAL HA . 51994 1 1274 . 1 . 1 111 111 VAL HB H 1 2.299 0 . 1 . . . . . 111 VAL HB . 51994 1 1275 . 1 . 1 111 111 VAL HG11 H 1 0.951 0 . 2 . . . . . 111 VAL MG1 . 51994 1 1276 . 1 . 1 111 111 VAL HG12 H 1 0.951 0 . 2 . . . . . 111 VAL MG1 . 51994 1 1277 . 1 . 1 111 111 VAL HG13 H 1 0.951 0 . 2 . . . . . 111 VAL MG1 . 51994 1 1278 . 1 . 1 111 111 VAL HG21 H 1 0.727 0 . 2 . . . . . 111 VAL MG2 . 51994 1 1279 . 1 . 1 111 111 VAL HG22 H 1 0.727 0 . 2 . . . . . 111 VAL MG2 . 51994 1 1280 . 1 . 1 111 111 VAL HG23 H 1 0.727 0 . 2 . . . . . 111 VAL MG2 . 51994 1 1281 . 1 . 1 111 111 VAL C C 13 175.23 0 . 1 . . . . . 111 VAL C . 51994 1 1282 . 1 . 1 111 111 VAL CA C 13 68.17 0 . 1 . . . . . 111 VAL CA . 51994 1 1283 . 1 . 1 111 111 VAL CB C 13 31.68 0 . 1 . . . . . 111 VAL CB . 51994 1 1284 . 1 . 1 111 111 VAL CG1 C 13 23.097 0 . 2 . . . . . 111 VAL CG1 . 51994 1 1285 . 1 . 1 111 111 VAL CG2 C 13 23.097 0 . 2 . . . . . 111 VAL CG2 . 51994 1 1286 . 1 . 1 111 111 VAL N N 15 119.522 0 . 1 . . . . . 111 VAL N . 51994 1 1287 . 1 . 1 112 112 ARG H H 1 7.931 0 . 1 . . . . . 112 ARG H . 51994 1 1288 . 1 . 1 112 112 ARG HA H 1 3.944 0 . 1 . . . . . 112 ARG HA . 51994 1 1289 . 1 . 1 112 112 ARG HB2 H 1 1.887 0 . 2 . . . . . 112 ARG HB2 . 51994 1 1290 . 1 . 1 112 112 ARG HB3 H 1 1.887 0 . 2 . . . . . 112 ARG HB3 . 51994 1 1291 . 1 . 1 112 112 ARG HG2 H 1 1.606 0 . 2 . . . . . 112 ARG HG2 . 51994 1 1292 . 1 . 1 112 112 ARG HG3 H 1 1.606 0 . 2 . . . . . 112 ARG HG3 . 51994 1 1293 . 1 . 1 112 112 ARG HD2 H 1 3.839 0 . 2 . . . . . 112 ARG HD2 . 51994 1 1294 . 1 . 1 112 112 ARG HD3 H 1 3.839 0 . 2 . . . . . 112 ARG HD3 . 51994 1 1295 . 1 . 1 112 112 ARG HH22 H 1 6.688 0 . . . . . . . 112 ARG HH22 . 51994 1 1296 . 1 . 1 112 112 ARG C C 13 174 0 . 1 . . . . . 112 ARG C . 51994 1 1297 . 1 . 1 112 112 ARG CA C 13 60.03 0 . 1 . . . . . 112 ARG CA . 51994 1 1298 . 1 . 1 112 112 ARG CB C 13 31.53 0 . 1 . . . . . 112 ARG CB . 51994 1 1299 . 1 . 1 112 112 ARG CG C 13 26.866 0 . 1 . . . . . 112 ARG CG . 51994 1 1300 . 1 . 1 112 112 ARG CD C 13 43.795 0 . 1 . . . . . 112 ARG CD . 51994 1 1301 . 1 . 1 112 112 ARG N N 15 115.844 0 . 1 . . . . . 112 ARG N . 51994 1 1302 . 1 . 1 113 113 ASP H H 1 8.843 0 . 1 . . . . . 113 ASP H . 51994 1 1303 . 1 . 1 113 113 ASP HA H 1 4.765 0 . 1 . . . . . 113 ASP HA . 51994 1 1304 . 1 . 1 113 113 ASP HB2 H 1 2.749 0 . 2 . . . . . 113 ASP HB2 . 51994 1 1305 . 1 . 1 113 113 ASP HB3 H 1 2.61 0 . 2 . . . . . 113 ASP HB3 . 51994 1 1306 . 1 . 1 113 113 ASP C C 13 174.16 0 . 1 . . . . . 113 ASP C . 51994 1 1307 . 1 . 1 113 113 ASP CA C 13 55.57 0 . 1 . . . . . 113 ASP CA . 51994 1 1308 . 1 . 1 113 113 ASP CB C 13 40.96 0 . 1 . . . . . 113 ASP CB . 51994 1 1309 . 1 . 1 113 113 ASP N N 15 113.208 0 . 1 . . . . . 113 ASP N . 51994 1 1310 . 1 . 1 114 114 ILE H H 1 7.544 0 . 1 . . . . . 114 ILE H . 51994 1 1311 . 1 . 1 114 114 ILE HA H 1 4.202 0 . 1 . . . . . 114 ILE HA . 51994 1 1312 . 1 . 1 114 114 ILE HB H 1 2.422 0 . 1 . . . . . 114 ILE HB . 51994 1 1313 . 1 . 1 114 114 ILE HG12 H 1 1.478 0 . 2 . . . . . 114 ILE HG12 . 51994 1 1314 . 1 . 1 114 114 ILE HG13 H 1 1.478 0 . 2 . . . . . 114 ILE HG13 . 51994 1 1315 . 1 . 1 114 114 ILE HG21 H 1 0.77 0 . 1 . . . . . 114 ILE MG . 51994 1 1316 . 1 . 1 114 114 ILE HG22 H 1 0.77 0 . 1 . . . . . 114 ILE MG . 51994 1 1317 . 1 . 1 114 114 ILE HG23 H 1 0.77 0 . 1 . . . . . 114 ILE MG . 51994 1 1318 . 1 . 1 114 114 ILE HD11 H 1 0.77 0 . 1 . . . . . 114 ILE MD . 51994 1 1319 . 1 . 1 114 114 ILE HD12 H 1 0.77 0 . 1 . . . . . 114 ILE MD . 51994 1 1320 . 1 . 1 114 114 ILE HD13 H 1 0.77 0 . 1 . . . . . 114 ILE MD . 51994 1 1321 . 1 . 1 114 114 ILE C C 13 175.1 0 . 1 . . . . . 114 ILE C . 51994 1 1322 . 1 . 1 114 114 ILE CA C 13 62.916 0 . 1 . . . . . 114 ILE CA . 51994 1 1323 . 1 . 1 114 114 ILE CB C 13 38.322 0 . 1 . . . . . 114 ILE CB . 51994 1 1324 . 1 . 1 114 114 ILE CG1 C 13 27.327 0 . 1 . . . . . 114 ILE CG1 . 51994 1 1325 . 1 . 1 114 114 ILE CG2 C 13 17.497 0 . 1 . . . . . 114 ILE CG2 . 51994 1 1326 . 1 . 1 114 114 ILE CD1 C 13 14.277 0 . 1 . . . . . 114 ILE CD1 . 51994 1 1327 . 1 . 1 114 114 ILE N N 15 117.333 0 . 1 . . . . . 114 ILE N . 51994 1 1328 . 1 . 1 115 115 ILE H H 1 7.692 0 . 1 . . . . . 115 ILE H . 51994 1 1329 . 1 . 1 115 115 ILE HA H 1 3.291 0 . 1 . . . . . 115 ILE HA . 51994 1 1330 . 1 . 1 115 115 ILE HB H 1 1.909 0 . 1 . . . . . 115 ILE HB . 51994 1 1331 . 1 . 1 115 115 ILE HG12 H 1 1.446 0 . 2 . . . . . 115 ILE HG12 . 51994 1 1332 . 1 . 1 115 115 ILE HG13 H 1 1.446 0 . 2 . . . . . 115 ILE HG13 . 51994 1 1333 . 1 . 1 115 115 ILE HG21 H 1 0.759 0 . 1 . . . . . 115 ILE MG . 51994 1 1334 . 1 . 1 115 115 ILE HG22 H 1 0.759 0 . 1 . . . . . 115 ILE MG . 51994 1 1335 . 1 . 1 115 115 ILE HG23 H 1 0.759 0 . 1 . . . . . 115 ILE MG . 51994 1 1336 . 1 . 1 115 115 ILE HD11 H 1 0.759 0 . 1 . . . . . 115 ILE MD . 51994 1 1337 . 1 . 1 115 115 ILE HD12 H 1 0.759 0 . 1 . . . . . 115 ILE MD . 51994 1 1338 . 1 . 1 115 115 ILE HD13 H 1 0.759 0 . 1 . . . . . 115 ILE MD . 51994 1 1339 . 1 . 1 115 115 ILE C C 13 174.46 0 . 1 . . . . . 115 ILE C . 51994 1 1340 . 1 . 1 115 115 ILE CA C 13 66.57 0 . 1 . . . . . 115 ILE CA . 51994 1 1341 . 1 . 1 115 115 ILE CB C 13 37.6 0 . 1 . . . . . 115 ILE CB . 51994 1 1342 . 1 . 1 115 115 ILE CG1 C 13 28.109 0 . 1 . . . . . 115 ILE CG1 . 51994 1 1343 . 1 . 1 115 115 ILE CG2 C 13 16.232 0 . 1 . . . . . 115 ILE CG2 . 51994 1 1344 . 1 . 1 115 115 ILE CD1 C 13 13.763 0 . 1 . . . . . 115 ILE CD1 . 51994 1 1345 . 1 . 1 115 115 ILE N N 15 117.255 0 . 1 . . . . . 115 ILE N . 51994 1 1346 . 1 . 1 116 116 VAL H H 1 8.569 0 . 1 . . . . . 116 VAL H . 51994 1 1347 . 1 . 1 116 116 VAL HA H 1 4.121 0 . 1 . . . . . 116 VAL HA . 51994 1 1348 . 1 . 1 116 116 VAL HB H 1 1.862 0 . 1 . . . . . 116 VAL HB . 51994 1 1349 . 1 . 1 116 116 VAL HG11 H 1 1.047 0 . 2 . . . . . 116 VAL MG1 . 51994 1 1350 . 1 . 1 116 116 VAL HG12 H 1 1.047 0 . 2 . . . . . 116 VAL MG1 . 51994 1 1351 . 1 . 1 116 116 VAL HG13 H 1 1.047 0 . 2 . . . . . 116 VAL MG1 . 51994 1 1352 . 1 . 1 116 116 VAL HG21 H 1 0.855 0 . 2 . . . . . 116 VAL MG2 . 51994 1 1353 . 1 . 1 116 116 VAL HG22 H 1 0.855 0 . 2 . . . . . 116 VAL MG2 . 51994 1 1354 . 1 . 1 116 116 VAL HG23 H 1 0.855 0 . 2 . . . . . 116 VAL MG2 . 51994 1 1355 . 1 . 1 116 116 VAL C C 13 176.38 0 . 1 . . . . . 116 VAL C . 51994 1 1356 . 1 . 1 116 116 VAL CA C 13 69.65 0 . 1 . . . . . 116 VAL CA . 51994 1 1357 . 1 . 1 116 116 VAL CB C 13 29.17 0 . 1 . . . . . 116 VAL CB . 51994 1 1358 . 1 . 1 116 116 VAL N N 15 119.06 0 . 1 . . . . . 116 VAL N . 51994 1 1359 . 1 . 1 117 117 PRO C C 13 171.96 0 . 1 . . . . . 117 PRO C . 51994 1 1360 . 1 . 1 117 117 PRO CA C 13 66.21 0 . 1 . . . . . 117 PRO CA . 51994 1 1361 . 1 . 1 117 117 PRO CB C 13 31.26 0 . 1 . . . . . 117 PRO CB . 51994 1 1362 . 1 . 1 118 118 ARG H H 1 6.643 0 . 1 . . . . . 118 ARG H . 51994 1 1363 . 1 . 1 118 118 ARG HA H 1 4.179 0 . 1 . . . . . 118 ARG HA . 51994 1 1364 . 1 . 1 118 118 ARG HB2 H 1 1.848 0 . 2 . . . . . 118 ARG HB2 . 51994 1 1365 . 1 . 1 118 118 ARG HB3 H 1 1.848 0 . 2 . . . . . 118 ARG HB3 . 51994 1 1366 . 1 . 1 118 118 ARG HG2 H 1 1.478 0 . 2 . . . . . 118 ARG HG2 . 51994 1 1367 . 1 . 1 118 118 ARG HG3 H 1 1.478 0 . 2 . . . . . 118 ARG HG3 . 51994 1 1368 . 1 . 1 118 118 ARG HD2 H 1 3.099 0 . 2 . . . . . 118 ARG HD2 . 51994 1 1369 . 1 . 1 118 118 ARG HD3 H 1 3.099 0 . 2 . . . . . 118 ARG HD3 . 51994 1 1370 . 1 . 1 118 118 ARG C C 13 172.64 0 . 1 . . . . . 118 ARG C . 51994 1 1371 . 1 . 1 118 118 ARG CA C 13 58.81 0 . 1 . . . . . 118 ARG CA . 51994 1 1372 . 1 . 1 118 118 ARG CB C 13 28.39 0 . 1 . . . . . 118 ARG CB . 51994 1 1373 . 1 . 1 118 118 ARG CG C 13 26.413 0 . 1 . . . . . 118 ARG CG . 51994 1 1374 . 1 . 1 118 118 ARG CD C 13 42.918 0 . 1 . . . . . 118 ARG CD . 51994 1 1375 . 1 . 1 118 118 ARG N N 15 113.463 0 . 1 . . . . . 118 ARG N . 51994 1 1376 . 1 . 1 119 119 PHE H H 1 9.075 0 . 1 . . . . . 119 PHE H . 51994 1 1377 . 1 . 1 119 119 PHE HA H 1 3.499 0 . 1 . . . . . 119 PHE HA . 51994 1 1378 . 1 . 1 119 119 PHE HB2 H 1 3.125 0 . 2 . . . . . 119 PHE HB2 . 51994 1 1379 . 1 . 1 119 119 PHE HB3 H 1 3.125 0 . 2 . . . . . 119 PHE HB3 . 51994 1 1380 . 1 . 1 119 119 PHE HD1 H 1 7.038 0 . 3 . . . . . 119 PHE HD1 . 51994 1 1381 . 1 . 1 119 119 PHE HD2 H 1 7.038 0 . 3 . . . . . 119 PHE HD2 . 51994 1 1382 . 1 . 1 119 119 PHE HE1 H 1 7.551 0 . 3 . . . . . 119 PHE HE1 . 51994 1 1383 . 1 . 1 119 119 PHE HE2 H 1 7.551 0 . 3 . . . . . 119 PHE HE2 . 51994 1 1384 . 1 . 1 119 119 PHE C C 13 171.27 0 . 1 . . . . . 119 PHE C . 51994 1 1385 . 1 . 1 119 119 PHE CA C 13 59.3 0 . 1 . . . . . 119 PHE CA . 51994 1 1386 . 1 . 1 119 119 PHE CB C 13 36.55 0 . 1 . . . . . 119 PHE CB . 51994 1 1387 . 1 . 1 119 119 PHE CD1 C 13 132.154 0 . 3 . . . . . 119 PHE CD1 . 51994 1 1388 . 1 . 1 119 119 PHE CD2 C 13 132.154 0 . 3 . . . . . 119 PHE CD2 . 51994 1 1389 . 1 . 1 119 119 PHE CE1 C 13 131.902 0 . 3 . . . . . 119 PHE CE1 . 51994 1 1390 . 1 . 1 119 119 PHE CE2 C 13 131.902 0 . 3 . . . . . 119 PHE CE2 . 51994 1 1391 . 1 . 1 119 119 PHE N N 15 122.849 0 . 1 . . . . . 119 PHE N . 51994 1 1392 . 1 . 1 120 120 ARG H H 1 8.687 0 . 1 . . . . . 120 ARG H . 51994 1 1393 . 1 . 1 120 120 ARG HA H 1 4.166 0 . 1 . . . . . 120 ARG HA . 51994 1 1394 . 1 . 1 120 120 ARG HB2 H 1 2.015 0 . 2 . . . . . 120 ARG HB2 . 51994 1 1395 . 1 . 1 120 120 ARG HB3 H 1 2.015 0 . 2 . . . . . 120 ARG HB3 . 51994 1 1396 . 1 . 1 120 120 ARG HG2 H 1 1.664 0 . 2 . . . . . 120 ARG HG2 . 51994 1 1397 . 1 . 1 120 120 ARG HG3 H 1 1.664 0 . 2 . . . . . 120 ARG HG3 . 51994 1 1398 . 1 . 1 120 120 ARG HD2 H 1 3.291 0 . 2 . . . . . 120 ARG HD2 . 51994 1 1399 . 1 . 1 120 120 ARG HD3 H 1 3.291 0 . 2 . . . . . 120 ARG HD3 . 51994 1 1400 . 1 . 1 120 120 ARG C C 13 174.21 0 . 1 . . . . . 120 ARG C . 51994 1 1401 . 1 . 1 120 120 ARG CA C 13 59.43 0 . 1 . . . . . 120 ARG CA . 51994 1 1402 . 1 . 1 120 120 ARG CB C 13 29.7 0 . 1 . . . . . 120 ARG CB . 51994 1 1403 . 1 . 1 120 120 ARG CG C 13 26.156 0 . 1 . . . . . 120 ARG CG . 51994 1 1404 . 1 . 1 120 120 ARG CD C 13 44.083 0 . 1 . . . . . 120 ARG CD . 51994 1 1405 . 1 . 1 120 120 ARG N N 15 119.908 0 . 1 . . . . . 120 ARG N . 51994 1 1406 . 1 . 1 121 121 ARG H H 1 6.96 0 . 1 . . . . . 121 ARG H . 51994 1 1407 . 1 . 1 121 121 ARG HA H 1 4.632 0 . 1 . . . . . 121 ARG HA . 51994 1 1408 . 1 . 1 121 121 ARG HB2 H 1 2.063 0 . 2 . . . . . 121 ARG HB2 . 51994 1 1409 . 1 . 1 121 121 ARG HB3 H 1 2.063 0 . 2 . . . . . 121 ARG HB3 . 51994 1 1410 . 1 . 1 121 121 ARG HG2 H 1 1.57 0 . 2 . . . . . 121 ARG HG2 . 51994 1 1411 . 1 . 1 121 121 ARG HG3 H 1 1.57 0 . 2 . . . . . 121 ARG HG3 . 51994 1 1412 . 1 . 1 121 121 ARG HD2 H 1 3.61 0 . 2 . . . . . 121 ARG HD2 . 51994 1 1413 . 1 . 1 121 121 ARG HD3 H 1 3.61 0 . 2 . . . . . 121 ARG HD3 . 51994 1 1414 . 1 . 1 121 121 ARG C C 13 175.3 0 . 1 . . . . . 121 ARG C . 51994 1 1415 . 1 . 1 121 121 ARG CA C 13 55.14 0 . 1 . . . . . 121 ARG CA . 51994 1 1416 . 1 . 1 121 121 ARG CB C 13 30.36 0 . 1 . . . . . 121 ARG CB . 51994 1 1417 . 1 . 1 121 121 ARG CG C 13 27.415 0 . 1 . . . . . 121 ARG CG . 51994 1 1418 . 1 . 1 121 121 ARG CD C 13 43.959 0 . 1 . . . . . 121 ARG CD . 51994 1 1419 . 1 . 1 121 121 ARG N N 15 114.438 0 . 1 . . . . . 121 ARG N . 51994 1 1420 . 1 . 1 122 122 GLY H H 1 7.822 0 . 1 . . . . . 122 GLY H . 51994 1 1421 . 1 . 1 122 122 GLY HA2 H 1 4.067 0 . 2 . . . . . 122 GLY HA2 . 51994 1 1422 . 1 . 1 122 122 GLY HA3 H 1 3.222 0 . 2 . . . . . 122 GLY HA3 . 51994 1 1423 . 1 . 1 122 122 GLY C C 13 178.73 0 . 1 . . . . . 122 GLY C . 51994 1 1424 . 1 . 1 122 122 GLY CA C 13 45.29 0 . 1 . . . . . 122 GLY CA . 51994 1 1425 . 1 . 1 122 122 GLY N N 15 108.382 0 . 1 . . . . . 122 GLY N . 51994 1 1426 . 1 . 1 123 123 ASP H H 1 7.753 0 . 1 . . . . . 123 ASP H . 51994 1 1427 . 1 . 1 123 123 ASP HA H 1 4.91 0 . 1 . . . . . 123 ASP HA . 51994 1 1428 . 1 . 1 123 123 ASP HB2 H 1 2.52 0 . 2 . . . . . 123 ASP HB2 . 51994 1 1429 . 1 . 1 123 123 ASP HB3 H 1 2.52 0 . 2 . . . . . 123 ASP HB3 . 51994 1 1430 . 1 . 1 123 123 ASP C C 13 175.15 0 . 1 . . . . . 123 ASP C . 51994 1 1431 . 1 . 1 123 123 ASP CA C 13 51.107 0 . 1 . . . . . 123 ASP CA . 51994 1 1432 . 1 . 1 123 123 ASP CB C 13 39.13 0 . 1 . . . . . 123 ASP CB . 51994 1 1433 . 1 . 1 123 123 ASP N N 15 120.642 0 . 1 . . . . . 123 ASP N . 51994 1 1434 . 1 . 1 124 124 PHE H H 1 7.536 0 . 1 . . . . . 124 PHE H . 51994 1 1435 . 1 . 1 124 124 PHE HA H 1 4.035 0 . 1 . . . . . 124 PHE HA . 51994 1 1436 . 1 . 1 124 124 PHE HB2 H 1 2.805 0 . 2 . . . . . 124 PHE HB2 . 51994 1 1437 . 1 . 1 124 124 PHE HB3 H 1 2.545 0 . 2 . . . . . 124 PHE HB3 . 51994 1 1438 . 1 . 1 124 124 PHE HD1 H 1 7.383 0 . 3 . . . . . 124 PHE HD1 . 51994 1 1439 . 1 . 1 124 124 PHE HD2 H 1 7.383 0 . 3 . . . . . 124 PHE HD2 . 51994 1 1440 . 1 . 1 124 124 PHE HE1 H 1 7.482 0 . 3 . . . . . 124 PHE HE1 . 51994 1 1441 . 1 . 1 124 124 PHE HE2 H 1 7.482 0 . 3 . . . . . 124 PHE HE2 . 51994 1 1442 . 1 . 1 124 124 PHE C C 13 172.807 0 . 1 . . . . . 124 PHE C . 51994 1 1443 . 1 . 1 124 124 PHE CA C 13 60.182 0 . 1 . . . . . 124 PHE CA . 51994 1 1444 . 1 . 1 124 124 PHE CB C 13 38.469 0 . 1 . . . . . 124 PHE CB . 51994 1 1445 . 1 . 1 124 124 PHE CD1 C 13 132.176 0 . 3 . . . . . 124 PHE CD1 . 51994 1 1446 . 1 . 1 124 124 PHE CD2 C 13 132.176 0 . 3 . . . . . 124 PHE CD2 . 51994 1 1447 . 1 . 1 124 124 PHE CE1 C 13 131.923 0 . 3 . . . . . 124 PHE CE1 . 51994 1 1448 . 1 . 1 124 124 PHE CE2 C 13 131.923 0 . 3 . . . . . 124 PHE CE2 . 51994 1 1449 . 1 . 1 124 124 PHE N N 15 122.79 0 . 1 . . . . . 124 PHE N . 51994 1 1450 . 1 . 1 125 125 TYR H H 1 9.567 0 . 1 . . . . . 125 TYR H . 51994 1 1451 . 1 . 1 125 125 TYR HA H 1 4.029 0 . 1 . . . . . 125 TYR HA . 51994 1 1452 . 1 . 1 125 125 TYR HB2 H 1 3.148 0 . 2 . . . . . 125 TYR HB2 . 51994 1 1453 . 1 . 1 125 125 TYR HB3 H 1 2.988 0 . 2 . . . . . 125 TYR HB3 . 51994 1 1454 . 1 . 1 125 125 TYR HD1 H 1 7.16 0 . 3 . . . . . 125 TYR HD1 . 51994 1 1455 . 1 . 1 125 125 TYR HD2 H 1 7.16 0 . 3 . . . . . 125 TYR HD2 . 51994 1 1456 . 1 . 1 125 125 TYR HE1 H 1 6.782 0 . 3 . . . . . 125 TYR HE1 . 51994 1 1457 . 1 . 1 125 125 TYR HE2 H 1 6.782 0 . 3 . . . . . 125 TYR HE2 . 51994 1 1458 . 1 . 1 125 125 TYR C C 13 174.19 0 . 1 . . . . . 125 TYR C . 51994 1 1459 . 1 . 1 125 125 TYR CA C 13 62.08 0 . 1 . . . . . 125 TYR CA . 51994 1 1460 . 1 . 1 125 125 TYR CB C 13 38.497 0 . 1 . . . . . 125 TYR CB . 51994 1 1461 . 1 . 1 125 125 TYR CD1 C 13 133.483 0 . 3 . . . . . 125 TYR CD1 . 51994 1 1462 . 1 . 1 125 125 TYR CD2 C 13 133.483 0 . 3 . . . . . 125 TYR CD2 . 51994 1 1463 . 1 . 1 125 125 TYR CE1 C 13 118.024 0 . 3 . . . . . 125 TYR CE1 . 51994 1 1464 . 1 . 1 125 125 TYR CE2 C 13 118.024 0 . 3 . . . . . 125 TYR CE2 . 51994 1 1465 . 1 . 1 125 125 TYR N N 15 119.745 0 . 1 . . . . . 125 TYR N . 51994 1 1466 . 1 . 1 126 126 GLY H H 1 8.343 0 . 1 . . . . . 126 GLY H . 51994 1 1467 . 1 . 1 126 126 GLY HA2 H 1 3.518 0 . 2 . . . . . 126 GLY HA2 . 51994 1 1468 . 1 . 1 126 126 GLY HA3 H 1 4.295 0 . 2 . . . . . 126 GLY HA3 . 51994 1 1469 . 1 . 1 126 126 GLY C C 13 173.94 0 . 1 . . . . . 126 GLY C . 51994 1 1470 . 1 . 1 126 126 GLY CA C 13 47.28 0 . 1 . . . . . 126 GLY CA . 51994 1 1471 . 1 . 1 126 126 GLY N N 15 108.346 0 . 1 . . . . . 126 GLY N . 51994 1 1472 . 1 . 1 127 127 GLY H H 1 8.272 0 . 1 . . . . . 127 GLY H . 51994 1 1473 . 1 . 1 127 127 GLY HA2 H 1 3.777 0 . 2 . . . . . 127 GLY HA2 . 51994 1 1474 . 1 . 1 127 127 GLY HA3 H 1 3.777 0 . 2 . . . . . 127 GLY HA3 . 51994 1 1475 . 1 . 1 127 127 GLY C C 13 176.82 0 . 1 . . . . . 127 GLY C . 51994 1 1476 . 1 . 1 127 127 GLY CA C 13 48.28 0 . 1 . . . . . 127 GLY CA . 51994 1 1477 . 1 . 1 127 127 GLY N N 15 107.044 0 . 1 . . . . . 127 GLY N . 51994 1 1478 . 1 . 1 128 128 LEU H H 1 8.053 0 . 1 . . . . . 128 LEU H . 51994 1 1479 . 1 . 1 128 128 LEU HA H 1 4.11 0 . 1 . . . . . 128 LEU HA . 51994 1 1480 . 1 . 1 128 128 LEU HB2 H 1 2.09 0 . 2 . . . . . 128 LEU HB2 . 51994 1 1481 . 1 . 1 128 128 LEU HB3 H 1 2.09 0 . 2 . . . . . 128 LEU HB3 . 51994 1 1482 . 1 . 1 128 128 LEU HG H 1 2.001 0 . 1 . . . . . 128 LEU HG . 51994 1 1483 . 1 . 1 128 128 LEU HD11 H 1 0.936 0 . 2 . . . . . 128 LEU MD1 . 51994 1 1484 . 1 . 1 128 128 LEU HD12 H 1 0.936 0 . 2 . . . . . 128 LEU MD1 . 51994 1 1485 . 1 . 1 128 128 LEU HD13 H 1 0.936 0 . 2 . . . . . 128 LEU MD1 . 51994 1 1486 . 1 . 1 128 128 LEU HD21 H 1 0.936 0 . 2 . . . . . 128 LEU MD2 . 51994 1 1487 . 1 . 1 128 128 LEU HD22 H 1 0.936 0 . 2 . . . . . 128 LEU MD2 . 51994 1 1488 . 1 . 1 128 128 LEU HD23 H 1 0.936 0 . 2 . . . . . 128 LEU MD2 . 51994 1 1489 . 1 . 1 128 128 LEU C C 13 173.63 0 . 1 . . . . . 128 LEU C . 51994 1 1490 . 1 . 1 128 128 LEU CA C 13 57.97 0 . 1 . . . . . 128 LEU CA . 51994 1 1491 . 1 . 1 128 128 LEU CB C 13 42.13 0 . 1 . . . . . 128 LEU CB . 51994 1 1492 . 1 . 1 128 128 LEU CG C 13 25.949 0 . 1 . . . . . 128 LEU CG . 51994 1 1493 . 1 . 1 128 128 LEU CD1 C 13 23.019 0 . 2 . . . . . 128 LEU CD1 . 51994 1 1494 . 1 . 1 128 128 LEU CD2 C 13 23.019 0 . 2 . . . . . 128 LEU CD2 . 51994 1 1495 . 1 . 1 128 128 LEU N N 15 119.348 0 . 1 . . . . . 128 LEU N . 51994 1 1496 . 1 . 1 129 129 SER H H 1 8.76 0 . 1 . . . . . 129 SER H . 51994 1 1497 . 1 . 1 129 129 SER HA H 1 3.629 0 . 1 . . . . . 129 SER HA . 51994 1 1498 . 1 . 1 129 129 SER HB2 H 1 3.331 0 . 2 . . . . . 129 SER HB2 . 51994 1 1499 . 1 . 1 129 129 SER HB3 H 1 3.331 0 . 2 . . . . . 129 SER HB3 . 51994 1 1500 . 1 . 1 129 129 SER HG H 1 4.946 0 . 1 . . . . . 129 SER HG . 51994 1 1501 . 1 . 1 129 129 SER C C 13 174.94 0 . 1 . . . . . 129 SER C . 51994 1 1502 . 1 . 1 129 129 SER CA C 13 62.38 0 . 1 . . . . . 129 SER CA . 51994 1 1503 . 1 . 1 129 129 SER CB C 13 63.7 0 . 1 . . . . . 129 SER CB . 51994 1 1504 . 1 . 1 129 129 SER N N 15 113.599 0 . 1 . . . . . 129 SER N . 51994 1 1505 . 1 . 1 130 130 ALA H H 1 7.958 0 . 1 . . . . . 130 ALA H . 51994 1 1506 . 1 . 1 130 130 ALA HA H 1 4.195 0 . 1 . . . . . 130 ALA HA . 51994 1 1507 . 1 . 1 130 130 ALA HB1 H 1 1.361 0 . 1 . . . . . 130 ALA MB . 51994 1 1508 . 1 . 1 130 130 ALA HB2 H 1 1.361 0 . 1 . . . . . 130 ALA MB . 51994 1 1509 . 1 . 1 130 130 ALA HB3 H 1 1.361 0 . 1 . . . . . 130 ALA MB . 51994 1 1510 . 1 . 1 130 130 ALA C C 13 170.43 0 . 1 . . . . . 130 ALA C . 51994 1 1511 . 1 . 1 130 130 ALA CA C 13 54.57 0 . 1 . . . . . 130 ALA CA . 51994 1 1512 . 1 . 1 130 130 ALA CB C 13 17.82 0 . 1 . . . . . 130 ALA CB . 51994 1 1513 . 1 . 1 130 130 ALA N N 15 119.289 0 . 1 . . . . . 130 ALA N . 51994 1 1514 . 1 . 1 131 131 ALA H H 1 7.763 0 . 1 . . . . . 131 ALA H . 51994 1 1515 . 1 . 1 131 131 ALA HA H 1 3.85 0 . 1 . . . . . 131 ALA HA . 51994 1 1516 . 1 . 1 131 131 ALA HB1 H 1 1.345 0 . 1 . . . . . 131 ALA MB . 51994 1 1517 . 1 . 1 131 131 ALA HB2 H 1 1.345 0 . 1 . . . . . 131 ALA MB . 51994 1 1518 . 1 . 1 131 131 ALA HB3 H 1 1.345 0 . 1 . . . . . 131 ALA MB . 51994 1 1519 . 1 . 1 131 131 ALA C C 13 172.76 0 . 1 . . . . . 131 ALA C . 51994 1 1520 . 1 . 1 131 131 ALA CA C 13 55.21 0 . 1 . . . . . 131 ALA CA . 51994 1 1521 . 1 . 1 131 131 ALA CB C 13 17.84 0 . 1 . . . . . 131 ALA CB . 51994 1 1522 . 1 . 1 131 131 ALA N N 15 121.417 0 . 1 . . . . . 131 ALA N . 51994 1 1523 . 1 . 1 132 132 VAL H H 1 8.004 0 . 1 . . . . . 132 VAL H . 51994 1 1524 . 1 . 1 132 132 VAL HA H 1 3.339 0 . 1 . . . . . 132 VAL HA . 51994 1 1525 . 1 . 1 132 132 VAL HB H 1 2.189 0 . 1 . . . . . 132 VAL HB . 51994 1 1526 . 1 . 1 132 132 VAL HG11 H 1 0.855 0 . 2 . . . . . 132 VAL MG1 . 51994 1 1527 . 1 . 1 132 132 VAL HG12 H 1 0.855 0 . 2 . . . . . 132 VAL MG1 . 51994 1 1528 . 1 . 1 132 132 VAL HG13 H 1 0.855 0 . 2 . . . . . 132 VAL MG1 . 51994 1 1529 . 1 . 1 132 132 VAL HG21 H 1 0.855 0 . 2 . . . . . 132 VAL MG2 . 51994 1 1530 . 1 . 1 132 132 VAL HG22 H 1 0.855 0 . 2 . . . . . 132 VAL MG2 . 51994 1 1531 . 1 . 1 132 132 VAL HG23 H 1 0.855 0 . 2 . . . . . 132 VAL MG2 . 51994 1 1532 . 1 . 1 132 132 VAL C C 13 174.48 0 . 1 . . . . . 132 VAL C . 51994 1 1533 . 1 . 1 132 132 VAL CA C 13 67.52 0 . 1 . . . . . 132 VAL CA . 51994 1 1534 . 1 . 1 132 132 VAL CB C 13 31.15 0 . 1 . . . . . 132 VAL CB . 51994 1 1535 . 1 . 1 132 132 VAL CG1 C 13 21.686 0 . 2 . . . . . 132 VAL CG1 . 51994 1 1536 . 1 . 1 132 132 VAL CG2 C 13 21.686 0 . 2 . . . . . 132 VAL CG2 . 51994 1 1537 . 1 . 1 132 132 VAL N N 15 117.11 0 . 1 . . . . . 132 VAL N . 51994 1 1538 . 1 . 1 133 133 ASP H H 1 7.681 0 . 1 . . . . . 133 ASP H . 51994 1 1539 . 1 . 1 133 133 ASP HA H 1 4.249 0 . 1 . . . . . 133 ASP HA . 51994 1 1540 . 1 . 1 133 133 ASP HB2 H 1 2.708 0 . 2 . . . . . 133 ASP HB2 . 51994 1 1541 . 1 . 1 133 133 ASP HB3 H 1 2.517 0 . 2 . . . . . 133 ASP HB3 . 51994 1 1542 . 1 . 1 133 133 ASP C C 13 172.9 0 . 1 . . . . . 133 ASP C . 51994 1 1543 . 1 . 1 133 133 ASP CA C 13 57.82 0 . 1 . . . . . 133 ASP CA . 51994 1 1544 . 1 . 1 133 133 ASP CB C 13 39.79 0 . 1 . . . . . 133 ASP CB . 51994 1 1545 . 1 . 1 133 133 ASP N N 15 117.69 0 . 1 . . . . . 133 ASP N . 51994 1 1546 . 1 . 1 134 134 ALA H H 1 7.749 0 . 1 . . . . . 134 ALA H . 51994 1 1547 . 1 . 1 134 134 ALA HA H 1 4.15 0 . 1 . . . . . 134 ALA HA . 51994 1 1548 . 1 . 1 134 134 ALA HB1 H 1 1.361 0 . 1 . . . . . 134 ALA MB . 51994 1 1549 . 1 . 1 134 134 ALA HB2 H 1 1.361 0 . 1 . . . . . 134 ALA MB . 51994 1 1550 . 1 . 1 134 134 ALA HB3 H 1 1.361 0 . 1 . . . . . 134 ALA MB . 51994 1 1551 . 1 . 1 134 134 ALA C C 13 172.2 0 . 1 . . . . . 134 ALA C . 51994 1 1552 . 1 . 1 134 134 ALA CA C 13 55 0 . 1 . . . . . 134 ALA CA . 51994 1 1553 . 1 . 1 134 134 ALA CB C 13 18.45 0 . 1 . . . . . 134 ALA CB . 51994 1 1554 . 1 . 1 134 134 ALA N N 15 122.507 0 . 1 . . . . . 134 ALA N . 51994 1 1555 . 1 . 1 135 135 ILE H H 1 8.224 0 . 1 . . . . . 135 ILE H . 51994 1 1556 . 1 . 1 135 135 ILE HA H 1 4.095 0 . 1 . . . . . 135 ILE HA . 51994 1 1557 . 1 . 1 135 135 ILE HB H 1 2.016 0 . 1 . . . . . 135 ILE HB . 51994 1 1558 . 1 . 1 135 135 ILE HG12 H 1 1.446 0 . 2 . . . . . 135 ILE HG12 . 51994 1 1559 . 1 . 1 135 135 ILE HG13 H 1 1.446 0 . 2 . . . . . 135 ILE HG13 . 51994 1 1560 . 1 . 1 135 135 ILE HG21 H 1 0.711 0 . 1 . . . . . 135 ILE MG . 51994 1 1561 . 1 . 1 135 135 ILE HG22 H 1 0.711 0 . 1 . . . . . 135 ILE MG . 51994 1 1562 . 1 . 1 135 135 ILE HG23 H 1 0.711 0 . 1 . . . . . 135 ILE MG . 51994 1 1563 . 1 . 1 135 135 ILE HD11 H 1 0.711 0 . 1 . . . . . 135 ILE MD . 51994 1 1564 . 1 . 1 135 135 ILE HD12 H 1 0.711 0 . 1 . . . . . 135 ILE MD . 51994 1 1565 . 1 . 1 135 135 ILE HD13 H 1 0.711 0 . 1 . . . . . 135 ILE MD . 51994 1 1566 . 1 . 1 135 135 ILE C C 13 174.538 0 . 1 . . . . . 135 ILE C . 51994 1 1567 . 1 . 1 135 135 ILE CA C 13 65.174 0 . 1 . . . . . 135 ILE CA . 51994 1 1568 . 1 . 1 135 135 ILE CB C 13 37.656 0 . 1 . . . . . 135 ILE CB . 51994 1 1569 . 1 . 1 135 135 ILE CG1 C 13 27.023 0 . 1 . . . . . 135 ILE CG1 . 51994 1 1570 . 1 . 1 135 135 ILE CG2 C 13 15.972 0 . 1 . . . . . 135 ILE CG2 . 51994 1 1571 . 1 . 1 135 135 ILE CD1 C 13 15.972 0 . 1 . . . . . 135 ILE CD1 . 51994 1 1572 . 1 . 1 135 135 ILE N N 15 120.55 0 . 1 . . . . . 135 ILE N . 51994 1 1573 . 1 . 1 136 136 ILE H H 1 7.868 0 . 1 . . . . . 136 ILE H . 51994 1 1574 . 1 . 1 136 136 ILE HA H 1 4.164 0 . 1 . . . . . 136 ILE HA . 51994 1 1575 . 1 . 1 136 136 ILE HB H 1 2.016 0 . 1 . . . . . 136 ILE HB . 51994 1 1576 . 1 . 1 136 136 ILE HG12 H 1 1.446 0 . 2 . . . . . 136 ILE MG . 51994 1 1577 . 1 . 1 136 136 ILE HG13 H 1 1.446 0 . 2 . . . . . 136 ILE MG . 51994 1 1578 . 1 . 1 136 136 ILE HG21 H 1 0.711 0 . 1 . . . . . 136 ILE MG . 51994 1 1579 . 1 . 1 136 136 ILE HG22 H 1 0.711 0 . 1 . . . . . 136 ILE MG . 51994 1 1580 . 1 . 1 136 136 ILE HG23 H 1 0.711 0 . 1 . . . . . 136 ILE MG . 51994 1 1581 . 1 . 1 136 136 ILE HD11 H 1 0.711 0 . 1 . . . . . 136 ILE MD . 51994 1 1582 . 1 . 1 136 136 ILE HD12 H 1 0.711 0 . 1 . . . . . 136 ILE MD . 51994 1 1583 . 1 . 1 136 136 ILE HD13 H 1 0.711 0 . 1 . . . . . 136 ILE MD . 51994 1 1584 . 1 . 1 136 136 ILE C C 13 173.07 0 . 1 . . . . . 136 ILE C . 51994 1 1585 . 1 . 1 136 136 ILE CA C 13 59.694 0 . 1 . . . . . 136 ILE CA . 51994 1 1586 . 1 . 1 136 136 ILE CB C 13 32.453 0 . 1 . . . . . 136 ILE CB . 51994 1 1587 . 1 . 1 136 136 ILE N N 15 121.315 0 . 1 . . . . . 136 ILE N . 51994 1 1588 . 1 . 1 137 137 ALA H H 1 7.868 0 . 1 . . . . . 137 ALA H . 51994 1 1589 . 1 . 1 137 137 ALA HA H 1 4.080 0 . 1 . . . . . 137 ALA HA . 51994 1 1590 . 1 . 1 137 137 ALA HB1 H 1 1.420 0 . 1 . . . . . 137 ALA MB . 51994 1 1591 . 1 . 1 137 137 ALA HB2 H 1 1.420 0 . 1 . . . . . 137 ALA MB . 51994 1 1592 . 1 . 1 137 137 ALA HB3 H 1 1.420 0 . 1 . . . . . 137 ALA MB . 51994 1 1593 . 1 . 1 137 137 ALA C C 13 171.040 0 . 1 . . . . . 137 ALA C . 51994 1 1594 . 1 . 1 137 137 ALA CA C 13 54.964 0 . 1 . . . . . 137 ALA CA . 51994 1 1595 . 1 . 1 137 137 ALA CB C 13 17.650 0 . 1 . . . . . 137 ALA CB . 51994 1 1596 . 1 . 1 137 137 ALA N N 15 120.324 0 . 1 . . . . . 137 ALA N . 51994 1 1597 . 1 . 1 139 139 ALA H H 1 8.451 0 . 1 . . . . . 139 ALA H . 51994 1 1598 . 1 . 1 139 139 ALA HA H 1 4.065 0 . 1 . . . . . 139 ALA HA . 51994 1 1599 . 1 . 1 139 139 ALA HB1 H 1 1.478 0 . 1 . . . . . 139 ALA MB . 51994 1 1600 . 1 . 1 139 139 ALA HB2 H 1 1.478 0 . 1 . . . . . 139 ALA MB . 51994 1 1601 . 1 . 1 139 139 ALA HB3 H 1 1.478 0 . 1 . . . . . 139 ALA MB . 51994 1 1602 . 1 . 1 139 139 ALA C C 13 172.65 0 . 1 . . . . . 139 ALA C . 51994 1 1603 . 1 . 1 139 139 ALA CA C 13 54.67 0 . 1 . . . . . 139 ALA CA . 51994 1 1604 . 1 . 1 139 139 ALA CB C 13 17.815 0 . 1 . . . . . 139 ALA CB . 51994 1 1605 . 1 . 1 139 139 ALA N N 15 121.141 0 . 1 . . . . . 139 ALA N . 51994 1 1606 . 1 . 1 140 140 GLN H H 1 7.781 0 . 1 . . . . . 140 GLN H . 51994 1 1607 . 1 . 1 140 140 GLN HA H 1 4.44 0 . 1 . . . . . 140 GLN HA . 51994 1 1608 . 1 . 1 140 140 GLN HB2 H 1 2.257 0 . 2 . . . . . 140 GLN HB2 . 51994 1 1609 . 1 . 1 140 140 GLN HB3 H 1 2.257 0 . 2 . . . . . 140 GLN HB3 . 51994 1 1610 . 1 . 1 140 140 GLN HG2 H 1 2.509 0 . 2 . . . . . 140 GLN HG2 . 51994 1 1611 . 1 . 1 140 140 GLN HG3 H 1 2.509 0 . 2 . . . . . 140 GLN HG3 . 51994 1 1612 . 1 . 1 140 140 GLN HE21 H 1 7.556 0 . 2 . . . . . 140 GLN HE21 . 51994 1 1613 . 1 . 1 140 140 GLN HE22 H 1 6.822 0 . 2 . . . . . 140 GLN HE22 . 51994 1 1614 . 1 . 1 140 140 GLN C C 13 174.97 0 . 1 . . . . . 140 GLN C . 51994 1 1615 . 1 . 1 140 140 GLN CA C 13 55.78 0 . 1 . . . . . 140 GLN CA . 51994 1 1616 . 1 . 1 140 140 GLN CB C 13 29.35 0 . 1 . . . . . 140 GLN CB . 51994 1 1617 . 1 . 1 140 140 GLN CG C 13 33.247 0 . 1 . . . . . 140 GLN CG . 51994 1 1618 . 1 . 1 140 140 GLN N N 15 114.24 0 . 1 . . . . . 140 GLN N . 51994 1 1619 . 1 . 1 140 140 GLN NE2 N 15 112.214 0 . 1 . . . . . 140 GLN NE2 . 51994 1 1620 . 1 . 1 141 141 GLY H H 1 7.918 0 . 1 . . . . . 141 GLY H . 51994 1 1621 . 1 . 1 141 141 GLY HA2 H 1 4.196 0 . 2 . . . . . 141 GLY HA2 . 51994 1 1622 . 1 . 1 141 141 GLY HA3 H 1 3.898 0 . 2 . . . . . 141 GLY HA3 . 51994 1 1623 . 1 . 1 141 141 GLY C C 13 176.96 0 . 1 . . . . . 141 GLY C . 51994 1 1624 . 1 . 1 141 141 GLY CA C 13 46 0 . 1 . . . . . 141 GLY CA . 51994 1 1625 . 1 . 1 141 141 GLY N N 15 107.863 0 . 1 . . . . . 141 GLY N . 51994 1 1626 . 1 . 1 142 142 GLU H H 1 8.224 0 . 1 . . . . . 142 GLU H . 51994 1 1627 . 1 . 1 142 142 GLU HA H 1 4.405 0 . 1 . . . . . 142 GLU HA . 51994 1 1628 . 1 . 1 142 142 GLU HB2 H 1 2.126 0 . 2 . . . . . 142 GLU HB2 . 51994 1 1629 . 1 . 1 142 142 GLU HB3 H 1 1.864 0 . 2 . . . . . 142 GLU HB3 . 51994 1 1630 . 1 . 1 142 142 GLU HG2 H 1 2.883 0 . 2 . . . . . 142 GLU HG2 . 51994 1 1631 . 1 . 1 142 142 GLU HG3 H 1 2.883 0 . 2 . . . . . 142 GLU HG3 . 51994 1 1632 . 1 . 1 142 142 GLU HE2 H 1 3.882 0 . 1 . . . . . 142 GLU HE2 . 51994 1 1633 . 1 . 1 142 142 GLU C C 13 175.7 0 . 1 . . . . . 142 GLU C . 51994 1 1634 . 1 . 1 142 142 GLU CA C 13 56.13 0 . 1 . . . . . 142 GLU CA . 51994 1 1635 . 1 . 1 142 142 GLU CB C 13 30.450 0 . 1 . . . . . 142 GLU CB . 51994 1 1636 . 1 . 1 142 142 GLU CG C 13 35.207 0 . 1 . . . . . 142 GLU CG . 51994 1 1637 . 1 . 1 142 142 GLU N N 15 118.857 0 . 1 . . . . . 142 GLU N . 51994 1 1638 . 1 . 1 143 143 PHE H H 1 8.117 0 . 1 . . . . . 143 PHE H . 51994 1 1639 . 1 . 1 143 143 PHE HA H 1 4.615 0 . 1 . . . . . 143 PHE HA . 51994 1 1640 . 1 . 1 143 143 PHE HB2 H 1 3.07 0 . 2 . . . . . 143 PHE HB2 . 51994 1 1641 . 1 . 1 143 143 PHE HB3 H 1 2.861 0 . 2 . . . . . 143 PHE HB3 . 51994 1 1642 . 1 . 1 143 143 PHE HD1 H 1 7.249 0 . 3 . . . . . 143 PHE HD1 . 51994 1 1643 . 1 . 1 143 143 PHE HD2 H 1 7.249 0 . 3 . . . . . 143 PHE HD2 . 51994 1 1644 . 1 . 1 143 143 PHE HE1 H 1 7.294 0 . 3 . . . . . 143 PHE HE1 . 51994 1 1645 . 1 . 1 143 143 PHE HE2 H 1 7.294 0 . 3 . . . . . 143 PHE HE2 . 51994 1 1646 . 1 . 1 143 143 PHE C C 13 176.94 0 . 1 . . . . . 143 PHE C . 51994 1 1647 . 1 . 1 143 143 PHE CA C 13 57.6 0 . 1 . . . . . 143 PHE CA . 51994 1 1648 . 1 . 1 143 143 PHE CB C 13 39.86 0 . 1 . . . . . 143 PHE CB . 51994 1 1649 . 1 . 1 143 143 PHE CD1 C 13 131.904 0 . 3 . . . . . 143 PHE CD1 . 51994 1 1650 . 1 . 1 143 143 PHE CD2 C 13 131.904 0 . 3 . . . . . 143 PHE CD2 . 51994 1 1651 . 1 . 1 143 143 PHE CE1 C 13 131.306 0 . 3 . . . . . 143 PHE CE1 . 51994 1 1652 . 1 . 1 143 143 PHE CE2 C 13 131.306 0 . 3 . . . . . 143 PHE CE2 . 51994 1 1653 . 1 . 1 143 143 PHE N N 15 121.399 0 . 1 . . . . . 143 PHE N . 51994 1 1654 . 1 . 1 144 144 GLN H H 1 8.105 0 . 1 . . . . . 144 GLN H . 51994 1 1655 . 1 . 1 144 144 GLN HA H 1 4.568 0 . 1 . . . . . 144 GLN HA . 51994 1 1656 . 1 . 1 144 144 GLN HB2 H 1 2.111 0 . 2 . . . . . 144 GLN HB2 . 51994 1 1657 . 1 . 1 144 144 GLN HB3 H 1 1.887 0 . 2 . . . . . 144 GLN HB3 . 51994 1 1658 . 1 . 1 144 144 GLN HG2 H 1 2.35 0 . 2 . . . . . 144 GLN HG2 . 51994 1 1659 . 1 . 1 144 144 GLN HG3 H 1 2.35 0 . 2 . . . . . 144 GLN HG3 . 51994 1 1660 . 1 . 1 144 144 GLN HE21 H 1 7.604 0 . 2 . . . . . 144 GLN HE21 . 51994 1 1661 . 1 . 1 144 144 GLN HE22 H 1 6.804 0 . 2 . . . . . 144 GLN HE22 . 51994 1 1662 . 1 . 1 144 144 GLN C C 13 179.23 0 . 1 . . . . . 144 GLN C . 51994 1 1663 . 1 . 1 144 144 GLN CA C 13 52.98 0 . 1 . . . . . 144 GLN CA . 51994 1 1664 . 1 . 1 144 144 GLN CB C 13 29.26 0 . 1 . . . . . 144 GLN CB . 51994 1 1665 . 1 . 1 144 144 GLN N N 15 125.46 0 . 1 . . . . . 144 GLN N . 51994 1 1666 . 1 . 1 144 144 GLN NE2 N 15 112.710 0 . 1 . . . . . 144 GLN NE2 . 51994 1 stop_ save_ ######################### # Other kinds of data # ######################### save_other_data_types_1 _Other_data_type_list.Sf_category other_data_types _Other_data_type_list.Sf_framecode other_data_types_1 _Other_data_type_list.Entry_ID 51994 _Other_data_type_list.ID 1 _Other_data_type_list.Name 1H-15N-HSQC _Other_data_type_list.Definition . _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $sample_conditions_1 _Other_data_type_list.Chem_shift_reference_ID . _Other_data_type_list.Chem_shift_reference_label . _Other_data_type_list.Details Image _Other_data_type_list.Text_data_format . _Other_data_type_list.Text_data . loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 2 '2D 1H-15N HSQC' . . . 51994 1 stop_ loop_ _Other_data_software.Software_ID _Other_data_software.Software_label _Other_data_software.Method_ID _Other_data_software.Method_label _Other_data_software.Entry_ID _Other_data_software.Other_data_type_list_ID 1 $software_1 . . 51994 1 stop_ save_