data_15942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15942 _Entry.Title ; 1H, 13C and 15N assignments for rrm2 domain of PABP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-05 _Entry.Accession_date 2008-09-05 _Entry.Last_release_date 2012-07-19 _Entry.Original_release_date 2012-07-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Igor Barsukov . . . 15942 2 Stuart Parnham . . . 15942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 15942 '15N chemical shifts' 100 15942 '1H chemical shifts' 660 15942 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-07-19 2008-09-05 original author . 15942 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of RRM2 domain of PABP1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Igor Barsukov . . . 15942 1 2 Stuart Parnham . . . 15942 1 3 Jim Norman . . . 15942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15942 _Assembly.ID 1 _Assembly.Name 'RRM2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RRM2 1 $PABP1 A . yes native no no . . . 15942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PABP1 _Entity.Sf_category entity _Entity.Sf_framecode PABP1 _Entity.Entry_ID 15942 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PABP1 _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 ; GADPSLRKSGVGNIFIKNLD KSIDNKALYDTFSAFGNILS CKVVCDENGSKGYGFVHFET QEAAERAIEKMNGMLLNDRK VFVGRFKSRKEREAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1 and 2 are from TEV cleavage site' _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'RRM2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K8G . "Solution Structure Of Rrm2 Domain Of Pabp1" . . . . . 100.00 95 100.00 100.00 3.09e-61 . . . . 15942 1 2 no PDB 4F25 . "Crystal Structure Of The Second Rrm Domain Of Human Pabpc1 At Ph 6.0" . . . . . 90.53 115 98.84 98.84 4.55e-53 . . . . 15942 1 3 no PDB 4F26 . "Crystal Structure Of The Second Rrm Domain Of Human Pabpc1 A Ph 9.0" . . . . . 90.53 115 98.84 98.84 4.55e-53 . . . . 15942 1 4 no GB KFP47809 . "Polyadenylate-binding protein 1, partial [Cathartes aura]" . . . . . 97.89 141 100.00 100.00 1.96e-59 . . . . 15942 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 88 GLY . 15942 1 2 89 ALA . 15942 1 3 90 ASP . 15942 1 4 91 PRO . 15942 1 5 92 SER . 15942 1 6 93 LEU . 15942 1 7 94 ARG . 15942 1 8 95 LYS . 15942 1 9 96 SER . 15942 1 10 97 GLY . 15942 1 11 98 VAL . 15942 1 12 99 GLY . 15942 1 13 100 ASN . 15942 1 14 101 ILE . 15942 1 15 102 PHE . 15942 1 16 103 ILE . 15942 1 17 104 LYS . 15942 1 18 105 ASN . 15942 1 19 106 LEU . 15942 1 20 107 ASP . 15942 1 21 108 LYS . 15942 1 22 109 SER . 15942 1 23 110 ILE . 15942 1 24 111 ASP . 15942 1 25 112 ASN . 15942 1 26 113 LYS . 15942 1 27 114 ALA . 15942 1 28 115 LEU . 15942 1 29 116 TYR . 15942 1 30 117 ASP . 15942 1 31 118 THR . 15942 1 32 119 PHE . 15942 1 33 120 SER . 15942 1 34 121 ALA . 15942 1 35 122 PHE . 15942 1 36 123 GLY . 15942 1 37 124 ASN . 15942 1 38 125 ILE . 15942 1 39 126 LEU . 15942 1 40 127 SER . 15942 1 41 128 CYS . 15942 1 42 129 LYS . 15942 1 43 130 VAL . 15942 1 44 131 VAL . 15942 1 45 132 CYS . 15942 1 46 133 ASP . 15942 1 47 134 GLU . 15942 1 48 135 ASN . 15942 1 49 136 GLY . 15942 1 50 137 SER . 15942 1 51 138 LYS . 15942 1 52 139 GLY . 15942 1 53 140 TYR . 15942 1 54 141 GLY . 15942 1 55 142 PHE . 15942 1 56 143 VAL . 15942 1 57 144 HIS . 15942 1 58 145 PHE . 15942 1 59 146 GLU . 15942 1 60 147 THR . 15942 1 61 148 GLN . 15942 1 62 149 GLU . 15942 1 63 150 ALA . 15942 1 64 151 ALA . 15942 1 65 152 GLU . 15942 1 66 153 ARG . 15942 1 67 154 ALA . 15942 1 68 155 ILE . 15942 1 69 156 GLU . 15942 1 70 157 LYS . 15942 1 71 158 MET . 15942 1 72 159 ASN . 15942 1 73 160 GLY . 15942 1 74 161 MET . 15942 1 75 162 LEU . 15942 1 76 163 LEU . 15942 1 77 164 ASN . 15942 1 78 165 ASP . 15942 1 79 166 ARG . 15942 1 80 167 LYS . 15942 1 81 168 VAL . 15942 1 82 169 PHE . 15942 1 83 170 VAL . 15942 1 84 171 GLY . 15942 1 85 172 ARG . 15942 1 86 173 PHE . 15942 1 87 174 LYS . 15942 1 88 175 SER . 15942 1 89 176 ARG . 15942 1 90 177 LYS . 15942 1 91 178 GLU . 15942 1 92 179 ARG . 15942 1 93 180 GLU . 15942 1 94 181 ALA . 15942 1 95 182 GLU . 15942 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 15942 1 . ALA 2 2 15942 1 . ASP 3 3 15942 1 . PRO 4 4 15942 1 . SER 5 5 15942 1 . LEU 6 6 15942 1 . ARG 7 7 15942 1 . LYS 8 8 15942 1 . SER 9 9 15942 1 . GLY 10 10 15942 1 . VAL 11 11 15942 1 . GLY 12 12 15942 1 . ASN 13 13 15942 1 . ILE 14 14 15942 1 . PHE 15 15 15942 1 . ILE 16 16 15942 1 . LYS 17 17 15942 1 . ASN 18 18 15942 1 . LEU 19 19 15942 1 . ASP 20 20 15942 1 . LYS 21 21 15942 1 . SER 22 22 15942 1 . ILE 23 23 15942 1 . ASP 24 24 15942 1 . ASN 25 25 15942 1 . LYS 26 26 15942 1 . ALA 27 27 15942 1 . LEU 28 28 15942 1 . TYR 29 29 15942 1 . ASP 30 30 15942 1 . THR 31 31 15942 1 . PHE 32 32 15942 1 . SER 33 33 15942 1 . ALA 34 34 15942 1 . PHE 35 35 15942 1 . GLY 36 36 15942 1 . ASN 37 37 15942 1 . ILE 38 38 15942 1 . LEU 39 39 15942 1 . SER 40 40 15942 1 . CYS 41 41 15942 1 . LYS 42 42 15942 1 . VAL 43 43 15942 1 . VAL 44 44 15942 1 . CYS 45 45 15942 1 . ASP 46 46 15942 1 . GLU 47 47 15942 1 . ASN 48 48 15942 1 . GLY 49 49 15942 1 . SER 50 50 15942 1 . LYS 51 51 15942 1 . GLY 52 52 15942 1 . TYR 53 53 15942 1 . GLY 54 54 15942 1 . PHE 55 55 15942 1 . VAL 56 56 15942 1 . HIS 57 57 15942 1 . PHE 58 58 15942 1 . GLU 59 59 15942 1 . THR 60 60 15942 1 . GLN 61 61 15942 1 . GLU 62 62 15942 1 . ALA 63 63 15942 1 . ALA 64 64 15942 1 . GLU 65 65 15942 1 . ARG 66 66 15942 1 . ALA 67 67 15942 1 . ILE 68 68 15942 1 . GLU 69 69 15942 1 . LYS 70 70 15942 1 . MET 71 71 15942 1 . ASN 72 72 15942 1 . GLY 73 73 15942 1 . MET 74 74 15942 1 . LEU 75 75 15942 1 . LEU 76 76 15942 1 . ASN 77 77 15942 1 . ASP 78 78 15942 1 . ARG 79 79 15942 1 . LYS 80 80 15942 1 . VAL 81 81 15942 1 . PHE 82 82 15942 1 . VAL 83 83 15942 1 . GLY 84 84 15942 1 . ARG 85 85 15942 1 . PHE 86 86 15942 1 . LYS 87 87 15942 1 . SER 88 88 15942 1 . ARG 89 89 15942 1 . LYS 90 90 15942 1 . GLU 91 91 15942 1 . ARG 92 92 15942 1 . GLU 93 93 15942 1 . ALA 94 94 15942 1 . GLU 95 95 15942 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15942 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PABP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15942 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15942 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PABP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . petM-11 . . . . . . 15942 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15942 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PABP1 '[U-98% 13C; U-98% 15N]' . . 1 $PABP1 . . 1 . . mM . . . . 15942 1 2 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15942 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15942 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15942 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 15942 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.04 . M 15942 1 pH 6.1 . pH 15942 1 pressure 1 . atm 15942 1 temperature 303 . K 15942 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15942 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15942 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15942 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15942 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15942 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15942 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15942 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15942 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15942 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15942 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15942 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15942 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15942 1 2 '2D 1H-13C HSQC' . . . 15942 1 3 '3D CBCA(CO)NH' . . . 15942 1 4 '3D HNCACB' . . . 15942 1 5 '3D HNCO' . . . 15942 1 6 '3D HCCH-TOCSY' . . . 15942 1 7 '3D 1H-15N NOESY' . . . 15942 1 8 '3D 1H-13C NOESY' . . . 15942 1 9 '3D 1H-15N TOCSY' . . . 15942 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 $TOPSPIN . . 15942 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.406 0.000 . 1 . . . . 89 ALA HA . 15942 1 2 . 1 1 2 2 ALA HB1 H 1 1.967 0.000 . 1 . . . . 89 ALA HB1 . 15942 1 3 . 1 1 2 2 ALA HB2 H 1 1.967 0.000 . 1 . . . . 89 ALA HB2 . 15942 1 4 . 1 1 2 2 ALA HB3 H 1 1.967 0.000 . 1 . . . . 89 ALA HB3 . 15942 1 5 . 1 1 3 3 ASP H H 1 8.188 0.004 . 1 . . . . 90 ASP H . 15942 1 6 . 1 1 3 3 ASP HA H 1 4.787 0.002 . 1 . . . . 90 ASP HA . 15942 1 7 . 1 1 3 3 ASP HB2 H 1 2.587 0.002 . 1 . . . . 90 ASP HB2 . 15942 1 8 . 1 1 3 3 ASP HB3 H 1 2.712 0.004 . 1 . . . . 90 ASP HB3 . 15942 1 9 . 1 1 3 3 ASP CA C 13 52.301 0.031 . 1 . . . . 90 ASP CA . 15942 1 10 . 1 1 3 3 ASP CB C 13 41.480 0.035 . 1 . . . . 90 ASP CB . 15942 1 11 . 1 1 3 3 ASP N N 15 123.858 0.017 . 1 . . . . 90 ASP N . 15942 1 12 . 1 1 4 4 PRO HA H 1 4.323 0.001 . 1 . . . . 91 PRO HA . 15942 1 13 . 1 1 4 4 PRO HB2 H 1 1.935 0.000 . 1 . . . . 91 PRO HB2 . 15942 1 14 . 1 1 4 4 PRO HB3 H 1 2.268 0.000 . 1 . . . . 91 PRO HB3 . 15942 1 15 . 1 1 4 4 PRO HD2 H 1 3.880 0.001 . 1 . . . . 91 PRO HD2 . 15942 1 16 . 1 1 4 4 PRO HD3 H 1 3.792 0.001 . 1 . . . . 91 PRO HD3 . 15942 1 17 . 1 1 4 4 PRO HG2 H 1 1.981 0.006 . 1 . . . . 91 PRO HG2 . 15942 1 18 . 1 1 4 4 PRO HG3 H 1 1.981 0.006 . 1 . . . . 91 PRO HG3 . 15942 1 19 . 1 1 4 4 PRO CA C 13 64.134 0.000 . 1 . . . . 91 PRO CA . 15942 1 20 . 1 1 4 4 PRO CB C 13 32.112 0.006 . 1 . . . . 91 PRO CB . 15942 1 21 . 1 1 4 4 PRO CD C 13 51.003 0.003 . 1 . . . . 91 PRO CD . 15942 1 22 . 1 1 4 4 PRO CG C 13 27.174 0.000 . 1 . . . . 91 PRO CG . 15942 1 23 . 1 1 5 5 SER H H 1 8.471 0.005 . 1 . . . . 92 SER H . 15942 1 24 . 1 1 5 5 SER HA H 1 4.251 0.003 . 1 . . . . 92 SER HA . 15942 1 25 . 1 1 5 5 SER HB2 H 1 3.840 0.006 . 1 . . . . 92 SER HB2 . 15942 1 26 . 1 1 5 5 SER HB3 H 1 3.840 0.006 . 1 . . . . 92 SER HB3 . 15942 1 27 . 1 1 5 5 SER CA C 13 59.754 0.012 . 1 . . . . 92 SER CA . 15942 1 28 . 1 1 5 5 SER CB C 13 63.614 0.053 . 1 . . . . 92 SER CB . 15942 1 29 . 1 1 5 5 SER N N 15 115.114 0.003 . 1 . . . . 92 SER N . 15942 1 30 . 1 1 6 6 LEU H H 1 7.765 0.002 . 1 . . . . 93 LEU H . 15942 1 31 . 1 1 6 6 LEU HA H 1 4.250 0.003 . 1 . . . . 93 LEU HA . 15942 1 32 . 1 1 6 6 LEU HB2 H 1 1.547 0.006 . 1 . . . . 93 LEU HB2 . 15942 1 33 . 1 1 6 6 LEU HB3 H 1 1.635 0.001 . 1 . . . . 93 LEU HB3 . 15942 1 34 . 1 1 6 6 LEU HD11 H 1 0.885 0.003 . 1 . . . . 93 LEU HD11 . 15942 1 35 . 1 1 6 6 LEU HD12 H 1 0.885 0.003 . 1 . . . . 93 LEU HD12 . 15942 1 36 . 1 1 6 6 LEU HD13 H 1 0.885 0.003 . 1 . . . . 93 LEU HD13 . 15942 1 37 . 1 1 6 6 LEU HD21 H 1 0.787 0.003 . 1 . . . . 93 LEU HD21 . 15942 1 38 . 1 1 6 6 LEU HD22 H 1 0.787 0.003 . 1 . . . . 93 LEU HD22 . 15942 1 39 . 1 1 6 6 LEU HD23 H 1 0.787 0.003 . 1 . . . . 93 LEU HD23 . 15942 1 40 . 1 1 6 6 LEU HG H 1 1.546 0.006 . 1 . . . . 93 LEU HG . 15942 1 41 . 1 1 6 6 LEU CA C 13 55.444 0.016 . 1 . . . . 93 LEU CA . 15942 1 42 . 1 1 6 6 LEU CB C 13 42.099 0.050 . 1 . . . . 93 LEU CB . 15942 1 43 . 1 1 6 6 LEU CD1 C 13 25.127 0.074 . 1 . . . . 93 LEU CD1 . 15942 1 44 . 1 1 6 6 LEU CD2 C 13 23.282 0.075 . 1 . . . . 93 LEU CD2 . 15942 1 45 . 1 1 6 6 LEU CG C 13 27.072 0.119 . 1 . . . . 93 LEU CG . 15942 1 46 . 1 1 6 6 LEU N N 15 122.679 0.007 . 1 . . . . 93 LEU N . 15942 1 47 . 1 1 7 7 ARG H H 1 7.867 0.012 . 1 . . . . 94 ARG H . 15942 1 48 . 1 1 7 7 ARG HA H 1 4.195 0.006 . 1 . . . . 94 ARG HA . 15942 1 49 . 1 1 7 7 ARG HB2 H 1 1.706 0.003 . 1 . . . . 94 ARG HB2 . 15942 1 50 . 1 1 7 7 ARG HB3 H 1 1.792 0.004 . 1 . . . . 94 ARG HB3 . 15942 1 51 . 1 1 7 7 ARG HD2 H 1 3.112 0.006 . 1 . . . . 94 ARG HD2 . 15942 1 52 . 1 1 7 7 ARG HD3 H 1 3.112 0.006 . 1 . . . . 94 ARG HD3 . 15942 1 53 . 1 1 7 7 ARG HG2 H 1 1.536 0.006 . 1 . . . . 94 ARG HG2 . 15942 1 54 . 1 1 7 7 ARG HG3 H 1 1.536 0.006 . 1 . . . . 94 ARG HG3 . 15942 1 55 . 1 1 7 7 ARG CA C 13 56.409 0.072 . 1 . . . . 94 ARG CA . 15942 1 56 . 1 1 7 7 ARG CB C 13 30.662 0.021 . 1 . . . . 94 ARG CB . 15942 1 57 . 1 1 7 7 ARG CD C 13 43.342 0.009 . 1 . . . . 94 ARG CD . 15942 1 58 . 1 1 7 7 ARG CG C 13 27.119 0.007 . 1 . . . . 94 ARG CG . 15942 1 59 . 1 1 7 7 ARG N N 15 120.492 0.027 . 1 . . . . 94 ARG N . 15942 1 60 . 1 1 8 8 LYS H H 1 8.125 0.008 . 1 . . . . 95 LYS H . 15942 1 61 . 1 1 8 8 LYS HA H 1 4.286 0.004 . 1 . . . . 95 LYS HA . 15942 1 62 . 1 1 8 8 LYS HB2 H 1 1.698 0.005 . 1 . . . . 95 LYS HB2 . 15942 1 63 . 1 1 8 8 LYS HB3 H 1 1.801 0.006 . 1 . . . . 95 LYS HB3 . 15942 1 64 . 1 1 8 8 LYS HD2 H 1 1.610 0.008 . 1 . . . . 95 LYS HD2 . 15942 1 65 . 1 1 8 8 LYS HD3 H 1 1.610 0.008 . 1 . . . . 95 LYS HD3 . 15942 1 66 . 1 1 8 8 LYS HE2 H 1 2.916 0.005 . 1 . . . . 95 LYS HE2 . 15942 1 67 . 1 1 8 8 LYS HE3 H 1 2.916 0.005 . 1 . . . . 95 LYS HE3 . 15942 1 68 . 1 1 8 8 LYS HG2 H 1 1.340 0.006 . 1 . . . . 95 LYS HG2 . 15942 1 69 . 1 1 8 8 LYS HG3 H 1 1.404 0.009 . 1 . . . . 95 LYS HG3 . 15942 1 70 . 1 1 8 8 LYS CA C 13 56.389 0.066 . 1 . . . . 95 LYS CA . 15942 1 71 . 1 1 8 8 LYS CB C 13 33.033 0.029 . 1 . . . . 95 LYS CB . 15942 1 72 . 1 1 8 8 LYS CD C 13 29.001 0.057 . 1 . . . . 95 LYS CD . 15942 1 73 . 1 1 8 8 LYS CE C 13 42.129 0.026 . 1 . . . . 95 LYS CE . 15942 1 74 . 1 1 8 8 LYS CG C 13 24.799 0.034 . 1 . . . . 95 LYS CG . 15942 1 75 . 1 1 8 8 LYS N N 15 121.723 0.006 . 1 . . . . 95 LYS N . 15942 1 76 . 1 1 9 9 SER H H 1 8.223 0.005 . 1 . . . . 96 SER H . 15942 1 77 . 1 1 9 9 SER HA H 1 4.416 0.002 . 1 . . . . 96 SER HA . 15942 1 78 . 1 1 9 9 SER HB2 H 1 3.844 0.009 . 1 . . . . 96 SER HB2 . 15942 1 79 . 1 1 9 9 SER HB3 H 1 3.880 0.001 . 1 . . . . 96 SER HB3 . 15942 1 80 . 1 1 9 9 SER CA C 13 58.570 0.021 . 1 . . . . 96 SER CA . 15942 1 81 . 1 1 9 9 SER CB C 13 63.958 0.018 . 1 . . . . 96 SER CB . 15942 1 82 . 1 1 9 9 SER N N 15 116.350 0.005 . 1 . . . . 96 SER N . 15942 1 83 . 1 1 10 10 GLY H H 1 8.424 0.002 . 1 . . . . 97 GLY H . 15942 1 84 . 1 1 10 10 GLY HA2 H 1 4.003 0.013 . 1 . . . . 97 GLY HA2 . 15942 1 85 . 1 1 10 10 GLY HA3 H 1 3.962 0.010 . 1 . . . . 97 GLY HA3 . 15942 1 86 . 1 1 10 10 GLY CA C 13 45.591 0.052 . 1 . . . . 97 GLY CA . 15942 1 87 . 1 1 10 10 GLY N N 15 110.802 0.000 . 1 . . . . 97 GLY N . 15942 1 88 . 1 1 11 11 VAL H H 1 7.782 0.010 . 1 . . . . 98 VAL H . 15942 1 89 . 1 1 11 11 VAL HA H 1 4.157 0.002 . 1 . . . . 98 VAL HA . 15942 1 90 . 1 1 11 11 VAL HB H 1 2.163 0.003 . 1 . . . . 98 VAL HB . 15942 1 91 . 1 1 11 11 VAL HG11 H 1 0.944 0.008 . 1 . . . . 98 VAL HG11 . 15942 1 92 . 1 1 11 11 VAL HG12 H 1 0.944 0.008 . 1 . . . . 98 VAL HG12 . 15942 1 93 . 1 1 11 11 VAL HG13 H 1 0.944 0.008 . 1 . . . . 98 VAL HG13 . 15942 1 94 . 1 1 11 11 VAL HG21 H 1 0.966 0.008 . 1 . . . . 98 VAL HG21 . 15942 1 95 . 1 1 11 11 VAL HG22 H 1 0.966 0.008 . 1 . . . . 98 VAL HG22 . 15942 1 96 . 1 1 11 11 VAL HG23 H 1 0.966 0.008 . 1 . . . . 98 VAL HG23 . 15942 1 97 . 1 1 11 11 VAL CA C 13 62.966 0.010 . 1 . . . . 98 VAL CA . 15942 1 98 . 1 1 11 11 VAL CB C 13 32.633 0.023 . 1 . . . . 98 VAL CB . 15942 1 99 . 1 1 11 11 VAL CG1 C 13 20.059 0.007 . 1 . . . . 98 VAL CG1 . 15942 1 100 . 1 1 11 11 VAL CG2 C 13 21.439 0.011 . 1 . . . . 98 VAL CG2 . 15942 1 101 . 1 1 11 11 VAL N N 15 117.409 0.006 . 1 . . . . 98 VAL N . 15942 1 102 . 1 1 12 12 GLY H H 1 8.535 0.007 . 1 . . . . 99 GLY H . 15942 1 103 . 1 1 12 12 GLY HA2 H 1 4.028 0.010 . 1 . . . . 99 GLY HA2 . 15942 1 104 . 1 1 12 12 GLY HA3 H 1 3.968 0.008 . 1 . . . . 99 GLY HA3 . 15942 1 105 . 1 1 12 12 GLY CA C 13 45.531 0.048 . 1 . . . . 99 GLY CA . 15942 1 106 . 1 1 12 12 GLY N N 15 109.873 0.064 . 1 . . . . 99 GLY N . 15942 1 107 . 1 1 13 13 ASN H H 1 7.935 0.006 . 1 . . . . 100 ASN H . 15942 1 108 . 1 1 13 13 ASN HA H 1 5.389 0.004 . 1 . . . . 100 ASN HA . 15942 1 109 . 1 1 13 13 ASN HB2 H 1 2.459 0.007 . 1 . . . . 100 ASN HB2 . 15942 1 110 . 1 1 13 13 ASN HB3 H 1 2.612 0.004 . 1 . . . . 100 ASN HB3 . 15942 1 111 . 1 1 13 13 ASN HD21 H 1 6.965 0.011 . 1 . . . . 100 ASN HD21 . 15942 1 112 . 1 1 13 13 ASN HD22 H 1 6.207 0.012 . 1 . . . . 100 ASN HD22 . 15942 1 113 . 1 1 13 13 ASN CA C 13 53.509 0.033 . 1 . . . . 100 ASN CA . 15942 1 114 . 1 1 13 13 ASN CB C 13 39.591 0.020 . 1 . . . . 100 ASN CB . 15942 1 115 . 1 1 13 13 ASN N N 15 120.475 0.009 . 1 . . . . 100 ASN N . 15942 1 116 . 1 1 13 13 ASN ND2 N 15 110.502 0.012 . 1 . . . . 100 ASN ND2 . 15942 1 117 . 1 1 14 14 ILE H H 1 9.148 0.005 . 1 . . . . 101 ILE H . 15942 1 118 . 1 1 14 14 ILE HA H 1 5.207 0.005 . 1 . . . . 101 ILE HA . 15942 1 119 . 1 1 14 14 ILE HB H 1 1.863 0.003 . 1 . . . . 101 ILE HB . 15942 1 120 . 1 1 14 14 ILE HD11 H 1 0.465 0.003 . 1 . . . . 101 ILE HD11 . 15942 1 121 . 1 1 14 14 ILE HD12 H 1 0.465 0.003 . 1 . . . . 101 ILE HD12 . 15942 1 122 . 1 1 14 14 ILE HD13 H 1 0.465 0.003 . 1 . . . . 101 ILE HD13 . 15942 1 123 . 1 1 14 14 ILE HG12 H 1 1.189 0.006 . 1 . . . . 101 ILE HG12 . 15942 1 124 . 1 1 14 14 ILE HG13 H 1 1.234 0.006 . 1 . . . . 101 ILE HG13 . 15942 1 125 . 1 1 14 14 ILE HG21 H 1 0.875 0.004 . 1 . . . . 101 ILE HG21 . 15942 1 126 . 1 1 14 14 ILE HG22 H 1 0.875 0.004 . 1 . . . . 101 ILE HG22 . 15942 1 127 . 1 1 14 14 ILE HG23 H 1 0.875 0.004 . 1 . . . . 101 ILE HG23 . 15942 1 128 . 1 1 14 14 ILE CA C 13 59.546 0.014 . 1 . . . . 101 ILE CA . 15942 1 129 . 1 1 14 14 ILE CB C 13 41.363 0.025 . 1 . . . . 101 ILE CB . 15942 1 130 . 1 1 14 14 ILE CD1 C 13 15.007 0.010 . 1 . . . . 101 ILE CD1 . 15942 1 131 . 1 1 14 14 ILE CG1 C 13 26.507 0.036 . 1 . . . . 101 ILE CG1 . 15942 1 132 . 1 1 14 14 ILE CG2 C 13 19.039 0.019 . 1 . . . . 101 ILE CG2 . 15942 1 133 . 1 1 14 14 ILE N N 15 118.231 0.028 . 1 . . . . 101 ILE N . 15942 1 134 . 1 1 15 15 PHE H H 1 8.859 0.003 . 1 . . . . 102 PHE H . 15942 1 135 . 1 1 15 15 PHE HA H 1 5.338 0.005 . 1 . . . . 102 PHE HA . 15942 1 136 . 1 1 15 15 PHE HB2 H 1 2.941 0.007 . 1 . . . . 102 PHE HB2 . 15942 1 137 . 1 1 15 15 PHE HB3 H 1 2.748 0.002 . 1 . . . . 102 PHE HB3 . 15942 1 138 . 1 1 15 15 PHE HD1 H 1 6.876 0.005 . 3 . . . . 102 PHE HD1 . 15942 1 139 . 1 1 15 15 PHE HD2 H 1 6.876 0.005 . 3 . . . . 102 PHE HD2 . 15942 1 140 . 1 1 15 15 PHE HE1 H 1 6.951 0.008 . 3 . . . . 102 PHE HE1 . 15942 1 141 . 1 1 15 15 PHE HE2 H 1 6.951 0.008 . 3 . . . . 102 PHE HE2 . 15942 1 142 . 1 1 15 15 PHE HZ H 1 6.964 0.007 . 1 . . . . 102 PHE HZ . 15942 1 143 . 1 1 15 15 PHE CA C 13 54.949 0.025 . 1 . . . . 102 PHE CA . 15942 1 144 . 1 1 15 15 PHE CB C 13 42.929 0.020 . 1 . . . . 102 PHE CB . 15942 1 145 . 1 1 15 15 PHE CD1 C 13 132.116 0.071 . 3 . . . . 102 PHE CD1 . 15942 1 146 . 1 1 15 15 PHE CD2 C 13 132.116 0.071 . 3 . . . . 102 PHE CD2 . 15942 1 147 . 1 1 15 15 PHE CE1 C 13 130.937 0.119 . 3 . . . . 102 PHE CE1 . 15942 1 148 . 1 1 15 15 PHE CE2 C 13 130.937 0.119 . 3 . . . . 102 PHE CE2 . 15942 1 149 . 1 1 15 15 PHE CZ C 13 129.722 0.046 . 1 . . . . 102 PHE CZ . 15942 1 150 . 1 1 15 15 PHE N N 15 121.859 0.013 . 1 . . . . 102 PHE N . 15942 1 151 . 1 1 16 16 ILE H H 1 8.362 0.006 . 1 . . . . 103 ILE H . 15942 1 152 . 1 1 16 16 ILE HA H 1 5.164 0.006 . 1 . . . . 103 ILE HA . 15942 1 153 . 1 1 16 16 ILE HB H 1 1.232 0.008 . 1 . . . . 103 ILE HB . 15942 1 154 . 1 1 16 16 ILE HD11 H 1 0.308 0.003 . 1 . . . . 103 ILE HD11 . 15942 1 155 . 1 1 16 16 ILE HD12 H 1 0.308 0.003 . 1 . . . . 103 ILE HD12 . 15942 1 156 . 1 1 16 16 ILE HD13 H 1 0.308 0.003 . 1 . . . . 103 ILE HD13 . 15942 1 157 . 1 1 16 16 ILE HG12 H 1 1.252 0.006 . 1 . . . . 103 ILE HG12 . 15942 1 158 . 1 1 16 16 ILE HG13 H 1 0.775 0.007 . 1 . . . . 103 ILE HG13 . 15942 1 159 . 1 1 16 16 ILE HG21 H 1 0.768 0.004 . 1 . . . . 103 ILE HG21 . 15942 1 160 . 1 1 16 16 ILE HG22 H 1 0.768 0.004 . 1 . . . . 103 ILE HG22 . 15942 1 161 . 1 1 16 16 ILE HG23 H 1 0.768 0.004 . 1 . . . . 103 ILE HG23 . 15942 1 162 . 1 1 16 16 ILE CA C 13 59.331 0.027 . 1 . . . . 103 ILE CA . 15942 1 163 . 1 1 16 16 ILE CB C 13 41.665 0.028 . 1 . . . . 103 ILE CB . 15942 1 164 . 1 1 16 16 ILE CD1 C 13 16.692 0.017 . 1 . . . . 103 ILE CD1 . 15942 1 165 . 1 1 16 16 ILE CG1 C 13 29.314 0.024 . 1 . . . . 103 ILE CG1 . 15942 1 166 . 1 1 16 16 ILE CG2 C 13 19.611 0.022 . 1 . . . . 103 ILE CG2 . 15942 1 167 . 1 1 16 16 ILE N N 15 123.101 0.008 . 1 . . . . 103 ILE N . 15942 1 168 . 1 1 17 17 LYS H H 1 9.187 0.005 . 1 . . . . 104 LYS H . 15942 1 169 . 1 1 17 17 LYS HA H 1 4.931 0.002 . 1 . . . . 104 LYS HA . 15942 1 170 . 1 1 17 17 LYS HB2 H 1 1.765 0.006 . 1 . . . . 104 LYS HB2 . 15942 1 171 . 1 1 17 17 LYS HB3 H 1 1.895 0.005 . 1 . . . . 104 LYS HB3 . 15942 1 172 . 1 1 17 17 LYS HD2 H 1 1.530 0.004 . 1 . . . . 104 LYS HD2 . 15942 1 173 . 1 1 17 17 LYS HD3 H 1 1.530 0.004 . 1 . . . . 104 LYS HD3 . 15942 1 174 . 1 1 17 17 LYS HE2 H 1 2.554 0.004 . 1 . . . . 104 LYS HE2 . 15942 1 175 . 1 1 17 17 LYS HE3 H 1 2.554 0.005 . 1 . . . . 104 LYS HE3 . 15942 1 176 . 1 1 17 17 LYS HG2 H 1 1.360 0.011 . 1 . . . . 104 LYS HG2 . 15942 1 177 . 1 1 17 17 LYS HG3 H 1 1.304 0.011 . 1 . . . . 104 LYS HG3 . 15942 1 178 . 1 1 17 17 LYS CA C 13 54.876 0.010 . 1 . . . . 104 LYS CA . 15942 1 179 . 1 1 17 17 LYS CB C 13 36.517 0.028 . 1 . . . . 104 LYS CB . 15942 1 180 . 1 1 17 17 LYS CD C 13 29.637 0.026 . 1 . . . . 104 LYS CD . 15942 1 181 . 1 1 17 17 LYS CE C 13 41.720 0.018 . 1 . . . . 104 LYS CE . 15942 1 182 . 1 1 17 17 LYS CG C 13 25.528 0.060 . 1 . . . . 104 LYS CG . 15942 1 183 . 1 1 17 17 LYS N N 15 123.509 0.013 . 1 . . . . 104 LYS N . 15942 1 184 . 1 1 18 18 ASN H H 1 8.444 0.004 . 1 . . . . 105 ASN H . 15942 1 185 . 1 1 18 18 ASN HA H 1 4.443 0.004 . 1 . . . . 105 ASN HA . 15942 1 186 . 1 1 18 18 ASN HB2 H 1 2.786 0.003 . 1 . . . . 105 ASN HB2 . 15942 1 187 . 1 1 18 18 ASN HB3 H 1 3.736 0.004 . 1 . . . . 105 ASN HB3 . 15942 1 188 . 1 1 18 18 ASN HD21 H 1 8.127 0.004 . 1 . . . . 105 ASN HD21 . 15942 1 189 . 1 1 18 18 ASN HD22 H 1 6.960 0.009 . 1 . . . . 105 ASN HD22 . 15942 1 190 . 1 1 18 18 ASN CA C 13 54.003 0.021 . 1 . . . . 105 ASN CA . 15942 1 191 . 1 1 18 18 ASN CB C 13 37.925 0.027 . 1 . . . . 105 ASN CB . 15942 1 192 . 1 1 18 18 ASN N N 15 117.119 0.030 . 1 . . . . 105 ASN N . 15942 1 193 . 1 1 18 18 ASN ND2 N 15 112.333 0.013 . 1 . . . . 105 ASN ND2 . 15942 1 194 . 1 1 19 19 LEU H H 1 7.867 0.001 . 1 . . . . 106 LEU H . 15942 1 195 . 1 1 19 19 LEU HA H 1 4.074 0.004 . 1 . . . . 106 LEU HA . 15942 1 196 . 1 1 19 19 LEU HB2 H 1 1.105 0.004 . 1 . . . . 106 LEU HB2 . 15942 1 197 . 1 1 19 19 LEU HB3 H 1 1.260 0.005 . 1 . . . . 106 LEU HB3 . 15942 1 198 . 1 1 19 19 LEU HD11 H 1 0.560 0.008 . 1 . . . . 106 LEU HD11 . 15942 1 199 . 1 1 19 19 LEU HD12 H 1 0.560 0.008 . 1 . . . . 106 LEU HD12 . 15942 1 200 . 1 1 19 19 LEU HD13 H 1 0.560 0.008 . 1 . . . . 106 LEU HD13 . 15942 1 201 . 1 1 19 19 LEU HD21 H 1 0.690 0.007 . 1 . . . . 106 LEU HD21 . 15942 1 202 . 1 1 19 19 LEU HD22 H 1 0.690 0.007 . 1 . . . . 106 LEU HD22 . 15942 1 203 . 1 1 19 19 LEU HD23 H 1 0.690 0.007 . 1 . . . . 106 LEU HD23 . 15942 1 204 . 1 1 19 19 LEU HG H 1 1.356 0.005 . 1 . . . . 106 LEU HG . 15942 1 205 . 1 1 19 19 LEU CA C 13 53.750 0.019 . 1 . . . . 106 LEU CA . 15942 1 206 . 1 1 19 19 LEU CB C 13 43.733 0.020 . 1 . . . . 106 LEU CB . 15942 1 207 . 1 1 19 19 LEU CD1 C 13 25.662 0.100 . 1 . . . . 106 LEU CD1 . 15942 1 208 . 1 1 19 19 LEU CD2 C 13 24.158 0.057 . 1 . . . . 106 LEU CD2 . 15942 1 209 . 1 1 19 19 LEU CG C 13 26.575 0.040 . 1 . . . . 106 LEU CG . 15942 1 210 . 1 1 19 19 LEU N N 15 115.882 0.013 . 1 . . . . 106 LEU N . 15942 1 211 . 1 1 20 20 ASP H H 1 8.646 0.004 . 1 . . . . 107 ASP H . 15942 1 212 . 1 1 20 20 ASP HA H 1 4.329 0.007 . 1 . . . . 107 ASP HA . 15942 1 213 . 1 1 20 20 ASP HB2 H 1 2.776 0.005 . 1 . . . . 107 ASP HB2 . 15942 1 214 . 1 1 20 20 ASP HB3 H 1 2.396 0.004 . 1 . . . . 107 ASP HB3 . 15942 1 215 . 1 1 20 20 ASP CA C 13 54.879 0.034 . 1 . . . . 107 ASP CA . 15942 1 216 . 1 1 20 20 ASP CB C 13 43.684 0.020 . 1 . . . . 107 ASP CB . 15942 1 217 . 1 1 20 20 ASP N N 15 123.582 0.012 . 1 . . . . 107 ASP N . 15942 1 218 . 1 1 21 21 LYS H H 1 8.671 0.006 . 1 . . . . 108 LYS H . 15942 1 219 . 1 1 21 21 LYS HA H 1 3.936 0.005 . 1 . . . . 108 LYS HA . 15942 1 220 . 1 1 21 21 LYS HB2 H 1 1.908 0.005 . 1 . . . . 108 LYS HB2 . 15942 1 221 . 1 1 21 21 LYS HB3 H 1 1.845 0.014 . 1 . . . . 108 LYS HB3 . 15942 1 222 . 1 1 21 21 LYS HD2 H 1 1.690 0.007 . 1 . . . . 108 LYS HD2 . 15942 1 223 . 1 1 21 21 LYS HD3 H 1 1.690 0.007 . 1 . . . . 108 LYS HD3 . 15942 1 224 . 1 1 21 21 LYS HE2 H 1 2.995 0.005 . 1 . . . . 108 LYS HE2 . 15942 1 225 . 1 1 21 21 LYS HE3 H 1 2.995 0.005 . 1 . . . . 108 LYS HE3 . 15942 1 226 . 1 1 21 21 LYS HG2 H 1 1.493 0.005 . 1 . . . . 108 LYS HG2 . 15942 1 227 . 1 1 21 21 LYS HG3 H 1 1.402 0.006 . 1 . . . . 108 LYS HG3 . 15942 1 228 . 1 1 21 21 LYS CA C 13 59.164 0.017 . 1 . . . . 108 LYS CA . 15942 1 229 . 1 1 21 21 LYS CB C 13 32.077 0.085 . 1 . . . . 108 LYS CB . 15942 1 230 . 1 1 21 21 LYS CD C 13 29.280 0.022 . 1 . . . . 108 LYS CD . 15942 1 231 . 1 1 21 21 LYS CE C 13 42.249 0.045 . 1 . . . . 108 LYS CE . 15942 1 232 . 1 1 21 21 LYS CG C 13 25.075 0.092 . 1 . . . . 108 LYS CG . 15942 1 233 . 1 1 21 21 LYS N N 15 125.427 0.013 . 1 . . . . 108 LYS N . 15942 1 234 . 1 1 22 22 SER H H 1 8.449 0.010 . 1 . . . . 109 SER H . 15942 1 235 . 1 1 22 22 SER HA H 1 4.252 0.003 . 1 . . . . 109 SER HA . 15942 1 236 . 1 1 22 22 SER HB2 H 1 3.837 0.011 . 1 . . . . 109 SER HB2 . 15942 1 237 . 1 1 22 22 SER HB3 H 1 3.902 0.007 . 1 . . . . 109 SER HB3 . 15942 1 238 . 1 1 22 22 SER CA C 13 59.738 0.017 . 1 . . . . 109 SER CA . 15942 1 239 . 1 1 22 22 SER CB C 13 63.683 0.035 . 1 . . . . 109 SER CB . 15942 1 240 . 1 1 22 22 SER N N 15 113.844 0.025 . 1 . . . . 109 SER N . 15942 1 241 . 1 1 23 23 ILE H H 1 7.464 0.005 . 1 . . . . 110 ILE H . 15942 1 242 . 1 1 23 23 ILE HA H 1 3.794 0.006 . 1 . . . . 110 ILE HA . 15942 1 243 . 1 1 23 23 ILE HB H 1 2.041 0.002 . 1 . . . . 110 ILE HB . 15942 1 244 . 1 1 23 23 ILE HD11 H 1 0.716 0.004 . 1 . . . . 110 ILE HD11 . 15942 1 245 . 1 1 23 23 ILE HD12 H 1 0.716 0.004 . 1 . . . . 110 ILE HD12 . 15942 1 246 . 1 1 23 23 ILE HD13 H 1 0.716 0.004 . 1 . . . . 110 ILE HD13 . 15942 1 247 . 1 1 23 23 ILE HG12 H 1 1.438 0.005 . 1 . . . . 110 ILE HG12 . 15942 1 248 . 1 1 23 23 ILE HG13 H 1 1.256 0.004 . 1 . . . . 110 ILE HG13 . 15942 1 249 . 1 1 23 23 ILE HG21 H 1 0.845 0.005 . 1 . . . . 110 ILE HG21 . 15942 1 250 . 1 1 23 23 ILE HG22 H 1 0.845 0.005 . 1 . . . . 110 ILE HG22 . 15942 1 251 . 1 1 23 23 ILE HG23 H 1 0.845 0.005 . 1 . . . . 110 ILE HG23 . 15942 1 252 . 1 1 23 23 ILE CA C 13 61.676 0.025 . 1 . . . . 110 ILE CA . 15942 1 253 . 1 1 23 23 ILE CB C 13 35.821 0.021 . 1 . . . . 110 ILE CB . 15942 1 254 . 1 1 23 23 ILE CD1 C 13 11.799 0.015 . 1 . . . . 110 ILE CD1 . 15942 1 255 . 1 1 23 23 ILE CG1 C 13 27.592 0.067 . 1 . . . . 110 ILE CG1 . 15942 1 256 . 1 1 23 23 ILE CG2 C 13 17.215 0.008 . 1 . . . . 110 ILE CG2 . 15942 1 257 . 1 1 23 23 ILE N N 15 123.926 0.010 . 1 . . . . 110 ILE N . 15942 1 258 . 1 1 24 24 ASP H H 1 7.622 0.004 . 1 . . . . 111 ASP H . 15942 1 259 . 1 1 24 24 ASP HA H 1 4.754 0.009 . 1 . . . . 111 ASP HA . 15942 1 260 . 1 1 24 24 ASP HB2 H 1 2.713 0.006 . 1 . . . . 111 ASP HB2 . 15942 1 261 . 1 1 24 24 ASP HB3 H 1 3.149 0.011 . 1 . . . . 111 ASP HB3 . 15942 1 262 . 1 1 24 24 ASP CA C 13 51.441 0.026 . 1 . . . . 111 ASP CA . 15942 1 263 . 1 1 24 24 ASP CB C 13 42.253 0.065 . 1 . . . . 111 ASP CB . 15942 1 264 . 1 1 24 24 ASP N N 15 128.728 0.009 . 1 . . . . 111 ASP N . 15942 1 265 . 1 1 25 25 ASN H H 1 8.290 0.006 . 1 . . . . 112 ASN H . 15942 1 266 . 1 1 25 25 ASN HA H 1 4.149 0.004 . 1 . . . . 112 ASN HA . 15942 1 267 . 1 1 25 25 ASN HB2 H 1 2.795 0.003 . 1 . . . . 112 ASN HB2 . 15942 1 268 . 1 1 25 25 ASN HB3 H 1 2.796 0.004 . 1 . . . . 112 ASN HB3 . 15942 1 269 . 1 1 25 25 ASN HD21 H 1 6.897 0.006 . 1 . . . . 112 ASN HD21 . 15942 1 270 . 1 1 25 25 ASN HD22 H 1 7.480 0.003 . 1 . . . . 112 ASN HD22 . 15942 1 271 . 1 1 25 25 ASN CA C 13 57.081 0.038 . 1 . . . . 112 ASN CA . 15942 1 272 . 1 1 25 25 ASN CB C 13 37.779 0.022 . 1 . . . . 112 ASN CB . 15942 1 273 . 1 1 25 25 ASN N N 15 117.121 0.013 . 1 . . . . 112 ASN N . 15942 1 274 . 1 1 25 25 ASN ND2 N 15 110.488 0.019 . 1 . . . . 112 ASN ND2 . 15942 1 275 . 1 1 26 26 LYS H H 1 7.731 0.003 . 1 . . . . 113 LYS H . 15942 1 276 . 1 1 26 26 LYS HA H 1 4.024 0.004 . 1 . . . . 113 LYS HA . 15942 1 277 . 1 1 26 26 LYS HB2 H 1 1.906 0.005 . 1 . . . . 113 LYS HB2 . 15942 1 278 . 1 1 26 26 LYS HB3 H 1 1.824 0.006 . 1 . . . . 113 LYS HB3 . 15942 1 279 . 1 1 26 26 LYS HD2 H 1 1.740 0.010 . 1 . . . . 113 LYS HD2 . 15942 1 280 . 1 1 26 26 LYS HD3 H 1 1.596 0.007 . 1 . . . . 113 LYS HD3 . 15942 1 281 . 1 1 26 26 LYS HE2 H 1 2.997 0.010 . 1 . . . . 113 LYS HE2 . 15942 1 282 . 1 1 26 26 LYS HE3 H 1 2.997 0.010 . 1 . . . . 113 LYS HE3 . 15942 1 283 . 1 1 26 26 LYS HG2 H 1 1.414 0.011 . 1 . . . . 113 LYS HG2 . 15942 1 284 . 1 1 26 26 LYS HG3 H 1 1.410 0.010 . 1 . . . . 113 LYS HG3 . 15942 1 285 . 1 1 26 26 LYS CA C 13 59.145 0.014 . 1 . . . . 113 LYS CA . 15942 1 286 . 1 1 26 26 LYS CB C 13 31.950 0.049 . 1 . . . . 113 LYS CB . 15942 1 287 . 1 1 26 26 LYS CD C 13 28.635 0.069 . 1 . . . . 113 LYS CD . 15942 1 288 . 1 1 26 26 LYS CE C 13 42.280 0.015 . 1 . . . . 113 LYS CE . 15942 1 289 . 1 1 26 26 LYS CG C 13 24.789 0.058 . 1 . . . . 113 LYS CG . 15942 1 290 . 1 1 26 26 LYS N N 15 120.257 0.007 . 1 . . . . 113 LYS N . 15942 1 291 . 1 1 27 27 ALA H H 1 8.093 0.002 . 1 . . . . 114 ALA H . 15942 1 292 . 1 1 27 27 ALA HA H 1 4.308 0.009 . 1 . . . . 114 ALA HA . 15942 1 293 . 1 1 27 27 ALA HB1 H 1 1.608 0.004 . 1 . . . . 114 ALA HB1 . 15942 1 294 . 1 1 27 27 ALA HB2 H 1 1.608 0.004 . 1 . . . . 114 ALA HB2 . 15942 1 295 . 1 1 27 27 ALA HB3 H 1 1.608 0.004 . 1 . . . . 114 ALA HB3 . 15942 1 296 . 1 1 27 27 ALA CA C 13 54.907 0.020 . 1 . . . . 114 ALA CA . 15942 1 297 . 1 1 27 27 ALA CB C 13 18.900 0.023 . 1 . . . . 114 ALA CB . 15942 1 298 . 1 1 27 27 ALA N N 15 121.758 0.014 . 1 . . . . 114 ALA N . 15942 1 299 . 1 1 28 28 LEU H H 1 8.512 0.005 . 1 . . . . 115 LEU H . 15942 1 300 . 1 1 28 28 LEU HA H 1 3.968 0.004 . 1 . . . . 115 LEU HA . 15942 1 301 . 1 1 28 28 LEU HB2 H 1 1.342 0.005 . 1 . . . . 115 LEU HB2 . 15942 1 302 . 1 1 28 28 LEU HB3 H 1 1.792 0.005 . 1 . . . . 115 LEU HB3 . 15942 1 303 . 1 1 28 28 LEU HD11 H 1 0.581 0.006 . 1 . . . . 115 LEU HD11 . 15942 1 304 . 1 1 28 28 LEU HD12 H 1 0.581 0.006 . 1 . . . . 115 LEU HD12 . 15942 1 305 . 1 1 28 28 LEU HD13 H 1 0.581 0.006 . 1 . . . . 115 LEU HD13 . 15942 1 306 . 1 1 28 28 LEU HD21 H 1 0.729 0.006 . 1 . . . . 115 LEU HD21 . 15942 1 307 . 1 1 28 28 LEU HD22 H 1 0.729 0.006 . 1 . . . . 115 LEU HD22 . 15942 1 308 . 1 1 28 28 LEU HD23 H 1 0.729 0.006 . 1 . . . . 115 LEU HD23 . 15942 1 309 . 1 1 28 28 LEU HG H 1 1.395 0.008 . 1 . . . . 115 LEU HG . 15942 1 310 . 1 1 28 28 LEU CA C 13 58.471 0.048 . 1 . . . . 115 LEU CA . 15942 1 311 . 1 1 28 28 LEU CB C 13 42.091 0.030 . 1 . . . . 115 LEU CB . 15942 1 312 . 1 1 28 28 LEU CD1 C 13 25.916 0.062 . 1 . . . . 115 LEU CD1 . 15942 1 313 . 1 1 28 28 LEU CD2 C 13 24.721 0.016 . 1 . . . . 115 LEU CD2 . 15942 1 314 . 1 1 28 28 LEU CG C 13 26.402 0.092 . 1 . . . . 115 LEU CG . 15942 1 315 . 1 1 28 28 LEU N N 15 121.093 0.035 . 1 . . . . 115 LEU N . 15942 1 316 . 1 1 29 29 TYR H H 1 8.287 0.007 . 1 . . . . 116 TYR H . 15942 1 317 . 1 1 29 29 TYR HA H 1 3.811 0.004 . 1 . . . . 116 TYR HA . 15942 1 318 . 1 1 29 29 TYR HB2 H 1 3.104 0.009 . 1 . . . . 116 TYR HB2 . 15942 1 319 . 1 1 29 29 TYR HB3 H 1 3.304 0.003 . 1 . . . . 116 TYR HB3 . 15942 1 320 . 1 1 29 29 TYR HD1 H 1 7.104 0.003 . 3 . . . . 116 TYR HD1 . 15942 1 321 . 1 1 29 29 TYR HD2 H 1 7.104 0.003 . 3 . . . . 116 TYR HD2 . 15942 1 322 . 1 1 29 29 TYR HE1 H 1 6.794 0.007 . 3 . . . . 116 TYR HE1 . 15942 1 323 . 1 1 29 29 TYR HE2 H 1 6.794 0.007 . 3 . . . . 116 TYR HE2 . 15942 1 324 . 1 1 29 29 TYR CA C 13 62.211 0.036 . 1 . . . . 116 TYR CA . 15942 1 325 . 1 1 29 29 TYR CB C 13 38.470 0.025 . 1 . . . . 116 TYR CB . 15942 1 326 . 1 1 29 29 TYR CD1 C 13 133.413 0.036 . 3 . . . . 116 TYR CD1 . 15942 1 327 . 1 1 29 29 TYR CD2 C 13 133.413 0.036 . 3 . . . . 116 TYR CD2 . 15942 1 328 . 1 1 29 29 TYR CE1 C 13 118.403 0.093 . 3 . . . . 116 TYR CE1 . 15942 1 329 . 1 1 29 29 TYR CE2 C 13 118.403 0.093 . 3 . . . . 116 TYR CE2 . 15942 1 330 . 1 1 29 29 TYR N N 15 121.430 0.011 . 1 . . . . 116 TYR N . 15942 1 331 . 1 1 30 30 ASP H H 1 8.990 0.003 . 1 . . . . 117 ASP H . 15942 1 332 . 1 1 30 30 ASP HA H 1 4.304 0.004 . 1 . . . . 117 ASP HA . 15942 1 333 . 1 1 30 30 ASP HB2 H 1 2.684 0.003 . 1 . . . . 117 ASP HB2 . 15942 1 334 . 1 1 30 30 ASP HB3 H 1 2.791 0.004 . 1 . . . . 117 ASP HB3 . 15942 1 335 . 1 1 30 30 ASP CA C 13 57.557 0.015 . 1 . . . . 117 ASP CA . 15942 1 336 . 1 1 30 30 ASP CB C 13 40.120 0.039 . 1 . . . . 117 ASP CB . 15942 1 337 . 1 1 30 30 ASP N N 15 120.322 0.008 . 1 . . . . 117 ASP N . 15942 1 338 . 1 1 31 31 THR H H 1 7.916 0.001 . 1 . . . . 118 THR H . 15942 1 339 . 1 1 31 31 THR HA H 1 3.850 0.003 . 1 . . . . 118 THR HA . 15942 1 340 . 1 1 31 31 THR HB H 1 4.248 0.003 . 1 . . . . 118 THR HB . 15942 1 341 . 1 1 31 31 THR HG21 H 1 0.732 0.006 . 1 . . . . 118 THR HG21 . 15942 1 342 . 1 1 31 31 THR HG22 H 1 0.732 0.006 . 1 . . . . 118 THR HG22 . 15942 1 343 . 1 1 31 31 THR HG23 H 1 0.732 0.006 . 1 . . . . 118 THR HG23 . 15942 1 344 . 1 1 31 31 THR CA C 13 66.514 0.021 . 1 . . . . 118 THR CA . 15942 1 345 . 1 1 31 31 THR CB C 13 69.024 0.015 . 1 . . . . 118 THR CB . 15942 1 346 . 1 1 31 31 THR CG2 C 13 21.301 0.014 . 1 . . . . 118 THR CG2 . 15942 1 347 . 1 1 31 31 THR N N 15 115.635 0.027 . 1 . . . . 118 THR N . 15942 1 348 . 1 1 32 32 PHE H H 1 8.038 0.008 . 1 . . . . 119 PHE H . 15942 1 349 . 1 1 32 32 PHE HA H 1 4.634 0.006 . 1 . . . . 119 PHE HA . 15942 1 350 . 1 1 32 32 PHE HB2 H 1 2.791 0.004 . 1 . . . . 119 PHE HB2 . 15942 1 351 . 1 1 32 32 PHE HB3 H 1 3.450 0.005 . 1 . . . . 119 PHE HB3 . 15942 1 352 . 1 1 32 32 PHE HD1 H 1 7.609 0.005 . 3 . . . . 119 PHE HD1 . 15942 1 353 . 1 1 32 32 PHE HD2 H 1 7.609 0.005 . 3 . . . . 119 PHE HD2 . 15942 1 354 . 1 1 32 32 PHE HE1 H 1 6.945 0.007 . 3 . . . . 119 PHE HE1 . 15942 1 355 . 1 1 32 32 PHE HE2 H 1 6.945 0.007 . 3 . . . . 119 PHE HE2 . 15942 1 356 . 1 1 32 32 PHE HZ H 1 6.899 0.011 . 1 . . . . 119 PHE HZ . 15942 1 357 . 1 1 32 32 PHE CA C 13 61.432 0.044 . 1 . . . . 119 PHE CA . 15942 1 358 . 1 1 32 32 PHE CB C 13 39.633 0.023 . 1 . . . . 119 PHE CB . 15942 1 359 . 1 1 32 32 PHE CD1 C 13 131.757 0.052 . 3 . . . . 119 PHE CD1 . 15942 1 360 . 1 1 32 32 PHE CD2 C 13 131.757 0.052 . 3 . . . . 119 PHE CD2 . 15942 1 361 . 1 1 32 32 PHE CE1 C 13 130.915 0.101 . 3 . . . . 119 PHE CE1 . 15942 1 362 . 1 1 32 32 PHE CE2 C 13 130.915 0.101 . 3 . . . . 119 PHE CE2 . 15942 1 363 . 1 1 32 32 PHE CZ C 13 128.558 0.027 . 1 . . . . 119 PHE CZ . 15942 1 364 . 1 1 32 32 PHE N N 15 116.279 0.007 . 1 . . . . 119 PHE N . 15942 1 365 . 1 1 33 33 SER H H 1 8.520 0.002 . 1 . . . . 120 SER H . 15942 1 366 . 1 1 33 33 SER HA H 1 4.205 0.004 . 1 . . . . 120 SER HA . 15942 1 367 . 1 1 33 33 SER HB2 H 1 3.468 0.006 . 1 . . . . 120 SER HB2 . 15942 1 368 . 1 1 33 33 SER HB3 H 1 3.813 0.002 . 1 . . . . 120 SER HB3 . 15942 1 369 . 1 1 33 33 SER CA C 13 61.254 0.025 . 1 . . . . 120 SER CA . 15942 1 370 . 1 1 33 33 SER CB C 13 62.322 0.049 . 1 . . . . 120 SER CB . 15942 1 371 . 1 1 33 33 SER N N 15 117.966 0.013 . 1 . . . . 120 SER N . 15942 1 372 . 1 1 34 34 ALA H H 1 7.074 0.007 . 1 . . . . 121 ALA H . 15942 1 373 . 1 1 34 34 ALA HA H 1 3.890 0.004 . 1 . . . . 121 ALA HA . 15942 1 374 . 1 1 34 34 ALA HB1 H 1 0.709 0.002 . 1 . . . . 121 ALA HB1 . 15942 1 375 . 1 1 34 34 ALA HB2 H 1 0.709 0.002 . 1 . . . . 121 ALA HB2 . 15942 1 376 . 1 1 34 34 ALA HB3 H 1 0.709 0.002 . 1 . . . . 121 ALA HB3 . 15942 1 377 . 1 1 34 34 ALA CA C 13 53.572 0.013 . 1 . . . . 121 ALA CA . 15942 1 378 . 1 1 34 34 ALA CB C 13 18.404 0.010 . 1 . . . . 121 ALA CB . 15942 1 379 . 1 1 34 34 ALA N N 15 121.426 0.007 . 1 . . . . 121 ALA N . 15942 1 380 . 1 1 35 35 PHE H H 1 7.400 0.010 . 1 . . . . 122 PHE H . 15942 1 381 . 1 1 35 35 PHE HA H 1 4.323 0.003 . 1 . . . . 122 PHE HA . 15942 1 382 . 1 1 35 35 PHE HB2 H 1 2.839 0.007 . 1 . . . . 122 PHE HB2 . 15942 1 383 . 1 1 35 35 PHE HB3 H 1 3.178 0.005 . 1 . . . . 122 PHE HB3 . 15942 1 384 . 1 1 35 35 PHE HD1 H 1 7.415 0.004 . 3 . . . . 122 PHE HD1 . 15942 1 385 . 1 1 35 35 PHE HD2 H 1 7.415 0.004 . 3 . . . . 122 PHE HD2 . 15942 1 386 . 1 1 35 35 PHE HE1 H 1 7.033 0.011 . 3 . . . . 122 PHE HE1 . 15942 1 387 . 1 1 35 35 PHE HE2 H 1 7.033 0.011 . 3 . . . . 122 PHE HE2 . 15942 1 388 . 1 1 35 35 PHE HZ H 1 7.073 0.010 . 1 . . . . 122 PHE HZ . 15942 1 389 . 1 1 35 35 PHE CA C 13 59.150 0.018 . 1 . . . . 122 PHE CA . 15942 1 390 . 1 1 35 35 PHE CB C 13 39.202 0.021 . 1 . . . . 122 PHE CB . 15942 1 391 . 1 1 35 35 PHE CD1 C 13 131.378 0.040 . 3 . . . . 122 PHE CD1 . 15942 1 392 . 1 1 35 35 PHE CD2 C 13 131.378 0.040 . 3 . . . . 122 PHE CD2 . 15942 1 393 . 1 1 35 35 PHE CE1 C 13 131.363 0.063 . 3 . . . . 122 PHE CE1 . 15942 1 394 . 1 1 35 35 PHE CE2 C 13 131.363 0.063 . 3 . . . . 122 PHE CE2 . 15942 1 395 . 1 1 35 35 PHE CZ C 13 129.543 0.065 . 1 . . . . 122 PHE CZ . 15942 1 396 . 1 1 35 35 PHE N N 15 112.984 0.011 . 1 . . . . 122 PHE N . 15942 1 397 . 1 1 36 36 GLY H H 1 7.291 0.003 . 1 . . . . 123 GLY H . 15942 1 398 . 1 1 36 36 GLY HA2 H 1 3.880 0.003 . 1 . . . . 123 GLY HA2 . 15942 1 399 . 1 1 36 36 GLY HA3 H 1 4.173 0.005 . 1 . . . . 123 GLY HA3 . 15942 1 400 . 1 1 36 36 GLY CA C 13 44.687 0.039 . 1 . . . . 123 GLY CA . 15942 1 401 . 1 1 36 36 GLY N N 15 104.283 0.010 . 1 . . . . 123 GLY N . 15942 1 402 . 1 1 37 37 ASN H H 1 8.355 0.016 . 1 . . . . 124 ASN H . 15942 1 403 . 1 1 37 37 ASN HA H 1 4.720 0.012 . 1 . . . . 124 ASN HA . 15942 1 404 . 1 1 37 37 ASN HB2 H 1 2.804 0.003 . 1 . . . . 124 ASN HB2 . 15942 1 405 . 1 1 37 37 ASN HB3 H 1 2.804 0.003 . 1 . . . . 124 ASN HB3 . 15942 1 406 . 1 1 37 37 ASN HD21 H 1 7.854 0.006 . 1 . . . . 124 ASN HD21 . 15942 1 407 . 1 1 37 37 ASN HD22 H 1 6.865 0.002 . 1 . . . . 124 ASN HD22 . 15942 1 408 . 1 1 37 37 ASN CA C 13 53.861 0.005 . 1 . . . . 124 ASN CA . 15942 1 409 . 1 1 37 37 ASN CB C 13 38.587 0.020 . 1 . . . . 124 ASN CB . 15942 1 410 . 1 1 37 37 ASN N N 15 115.915 0.007 . 1 . . . . 124 ASN N . 15942 1 411 . 1 1 37 37 ASN ND2 N 15 113.273 0.016 . 1 . . . . 124 ASN ND2 . 15942 1 412 . 1 1 38 38 ILE H H 1 8.744 0.006 . 1 . . . . 125 ILE H . 15942 1 413 . 1 1 38 38 ILE HA H 1 3.883 0.003 . 1 . . . . 125 ILE HA . 15942 1 414 . 1 1 38 38 ILE HB H 1 1.631 0.004 . 1 . . . . 125 ILE HB . 15942 1 415 . 1 1 38 38 ILE HD11 H 1 0.248 0.004 . 1 . . . . 125 ILE HD11 . 15942 1 416 . 1 1 38 38 ILE HD12 H 1 0.248 0.004 . 1 . . . . 125 ILE HD12 . 15942 1 417 . 1 1 38 38 ILE HD13 H 1 0.248 0.004 . 1 . . . . 125 ILE HD13 . 15942 1 418 . 1 1 38 38 ILE HG12 H 1 0.014 0.003 . 1 . . . . 125 ILE HG12 . 15942 1 419 . 1 1 38 38 ILE HG13 H 1 1.690 0.005 . 1 . . . . 125 ILE HG13 . 15942 1 420 . 1 1 38 38 ILE HG21 H 1 0.575 0.014 . 1 . . . . 125 ILE HG21 . 15942 1 421 . 1 1 38 38 ILE HG22 H 1 0.575 0.014 . 1 . . . . 125 ILE HG22 . 15942 1 422 . 1 1 38 38 ILE HG23 H 1 0.575 0.014 . 1 . . . . 125 ILE HG23 . 15942 1 423 . 1 1 38 38 ILE CA C 13 62.218 0.035 . 1 . . . . 125 ILE CA . 15942 1 424 . 1 1 38 38 ILE CB C 13 39.614 0.008 . 1 . . . . 125 ILE CB . 15942 1 425 . 1 1 38 38 ILE CD1 C 13 14.083 0.012 . 1 . . . . 125 ILE CD1 . 15942 1 426 . 1 1 38 38 ILE CG1 C 13 28.845 0.018 . 1 . . . . 125 ILE CG1 . 15942 1 427 . 1 1 38 38 ILE CG2 C 13 17.893 0.020 . 1 . . . . 125 ILE CG2 . 15942 1 428 . 1 1 38 38 ILE N N 15 127.719 0.008 . 1 . . . . 125 ILE N . 15942 1 429 . 1 1 39 39 LEU H H 1 9.144 0.010 . 1 . . . . 126 LEU H . 15942 1 430 . 1 1 39 39 LEU HA H 1 4.320 0.002 . 1 . . . . 126 LEU HA . 15942 1 431 . 1 1 39 39 LEU HB2 H 1 1.399 0.005 . 1 . . . . 126 LEU HB2 . 15942 1 432 . 1 1 39 39 LEU HB3 H 1 1.399 0.005 . 1 . . . . 126 LEU HB3 . 15942 1 433 . 1 1 39 39 LEU HD11 H 1 0.754 0.002 . 1 . . . . 126 LEU HD11 . 15942 1 434 . 1 1 39 39 LEU HD12 H 1 0.754 0.002 . 1 . . . . 126 LEU HD12 . 15942 1 435 . 1 1 39 39 LEU HD13 H 1 0.754 0.002 . 1 . . . . 126 LEU HD13 . 15942 1 436 . 1 1 39 39 LEU HD21 H 1 0.624 0.010 . 1 . . . . 126 LEU HD21 . 15942 1 437 . 1 1 39 39 LEU HD22 H 1 0.624 0.010 . 1 . . . . 126 LEU HD22 . 15942 1 438 . 1 1 39 39 LEU HD23 H 1 0.624 0.010 . 1 . . . . 126 LEU HD23 . 15942 1 439 . 1 1 39 39 LEU HG H 1 1.342 0.007 . 1 . . . . 126 LEU HG . 15942 1 440 . 1 1 39 39 LEU CA C 13 56.215 0.033 . 1 . . . . 126 LEU CA . 15942 1 441 . 1 1 39 39 LEU CB C 13 42.235 0.019 . 1 . . . . 126 LEU CB . 15942 1 442 . 1 1 39 39 LEU CD1 C 13 22.270 0.020 . 1 . . . . 126 LEU CD1 . 15942 1 443 . 1 1 39 39 LEU CD2 C 13 25.653 0.021 . 1 . . . . 126 LEU CD2 . 15942 1 444 . 1 1 39 39 LEU CG C 13 27.166 0.035 . 1 . . . . 126 LEU CG . 15942 1 445 . 1 1 39 39 LEU N N 15 128.186 0.008 . 1 . . . . 126 LEU N . 15942 1 446 . 1 1 40 40 SER H H 1 7.437 0.005 . 1 . . . . 127 SER H . 15942 1 447 . 1 1 40 40 SER HA H 1 4.562 0.003 . 1 . . . . 127 SER HA . 15942 1 448 . 1 1 40 40 SER HB2 H 1 3.760 0.008 . 1 . . . . 127 SER HB2 . 15942 1 449 . 1 1 40 40 SER HB3 H 1 3.805 0.009 . 1 . . . . 127 SER HB3 . 15942 1 450 . 1 1 40 40 SER CA C 13 57.815 0.025 . 1 . . . . 127 SER CA . 15942 1 451 . 1 1 40 40 SER CB C 13 64.662 0.027 . 1 . . . . 127 SER CB . 15942 1 452 . 1 1 40 40 SER N N 15 110.470 0.006 . 1 . . . . 127 SER N . 15942 1 453 . 1 1 41 41 CYS H H 1 8.433 0.009 . 1 . . . . 128 CYS H . 15942 1 454 . 1 1 41 41 CYS HA H 1 4.985 0.005 . 1 . . . . 128 CYS HA . 15942 1 455 . 1 1 41 41 CYS HB2 H 1 2.917 0.007 . 1 . . . . 128 CYS HB2 . 15942 1 456 . 1 1 41 41 CYS HB3 H 1 2.917 0.007 . 1 . . . . 128 CYS HB3 . 15942 1 457 . 1 1 41 41 CYS CA C 13 57.119 0.036 . 1 . . . . 128 CYS CA . 15942 1 458 . 1 1 41 41 CYS CB C 13 30.153 0.014 . 1 . . . . 128 CYS CB . 15942 1 459 . 1 1 41 41 CYS N N 15 119.349 0.043 . 1 . . . . 128 CYS N . 15942 1 460 . 1 1 42 42 LYS H H 1 8.516 0.003 . 1 . . . . 129 LYS H . 15942 1 461 . 1 1 42 42 LYS HA H 1 4.528 0.003 . 1 . . . . 129 LYS HA . 15942 1 462 . 1 1 42 42 LYS HB2 H 1 1.654 0.005 . 1 . . . . 129 LYS HB2 . 15942 1 463 . 1 1 42 42 LYS HB3 H 1 1.729 0.009 . 1 . . . . 129 LYS HB3 . 15942 1 464 . 1 1 42 42 LYS HD2 H 1 1.656 0.005 . 1 . . . . 129 LYS HD2 . 15942 1 465 . 1 1 42 42 LYS HD3 H 1 1.656 0.005 . 1 . . . . 129 LYS HD3 . 15942 1 466 . 1 1 42 42 LYS HE2 H 1 2.910 0.005 . 1 . . . . 129 LYS HE2 . 15942 1 467 . 1 1 42 42 LYS HE3 H 1 2.910 0.005 . 1 . . . . 129 LYS HE3 . 15942 1 468 . 1 1 42 42 LYS HG2 H 1 1.265 0.004 . 1 . . . . 129 LYS HG2 . 15942 1 469 . 1 1 42 42 LYS HG3 H 1 1.265 0.004 . 1 . . . . 129 LYS HG3 . 15942 1 470 . 1 1 42 42 LYS CA C 13 55.911 0.032 . 1 . . . . 129 LYS CA . 15942 1 471 . 1 1 42 42 LYS CB C 13 36.405 0.033 . 1 . . . . 129 LYS CB . 15942 1 472 . 1 1 42 42 LYS CD C 13 29.452 0.115 . 1 . . . . 129 LYS CD . 15942 1 473 . 1 1 42 42 LYS CE C 13 42.191 0.027 . 1 . . . . 129 LYS CE . 15942 1 474 . 1 1 42 42 LYS CG C 13 24.358 0.064 . 1 . . . . 129 LYS CG . 15942 1 475 . 1 1 42 42 LYS N N 15 121.505 0.083 . 1 . . . . 129 LYS N . 15942 1 476 . 1 1 43 43 VAL H H 1 8.415 0.002 . 1 . . . . 130 VAL H . 15942 1 477 . 1 1 43 43 VAL HA H 1 4.023 0.004 . 1 . . . . 130 VAL HA . 15942 1 478 . 1 1 43 43 VAL HB H 1 1.793 0.007 . 1 . . . . 130 VAL HB . 15942 1 479 . 1 1 43 43 VAL HG11 H 1 0.789 0.007 . 1 . . . . 130 VAL HG11 . 15942 1 480 . 1 1 43 43 VAL HG12 H 1 0.789 0.007 . 1 . . . . 130 VAL HG12 . 15942 1 481 . 1 1 43 43 VAL HG13 H 1 0.789 0.007 . 1 . . . . 130 VAL HG13 . 15942 1 482 . 1 1 43 43 VAL HG21 H 1 0.701 0.005 . 1 . . . . 130 VAL HG21 . 15942 1 483 . 1 1 43 43 VAL HG22 H 1 0.701 0.005 . 1 . . . . 130 VAL HG22 . 15942 1 484 . 1 1 43 43 VAL HG23 H 1 0.701 0.005 . 1 . . . . 130 VAL HG23 . 15942 1 485 . 1 1 43 43 VAL CA C 13 62.464 0.018 . 1 . . . . 130 VAL CA . 15942 1 486 . 1 1 43 43 VAL CB C 13 33.223 0.081 . 1 . . . . 130 VAL CB . 15942 1 487 . 1 1 43 43 VAL CG1 C 13 21.233 0.024 . 1 . . . . 130 VAL CG1 . 15942 1 488 . 1 1 43 43 VAL CG2 C 13 22.513 0.021 . 1 . . . . 130 VAL CG2 . 15942 1 489 . 1 1 43 43 VAL N N 15 123.940 0.018 . 1 . . . . 130 VAL N . 15942 1 490 . 1 1 44 44 VAL H H 1 8.590 0.006 . 1 . . . . 131 VAL H . 15942 1 491 . 1 1 44 44 VAL HA H 1 3.818 0.006 . 1 . . . . 131 VAL HA . 15942 1 492 . 1 1 44 44 VAL HB H 1 1.203 0.007 . 1 . . . . 131 VAL HB . 15942 1 493 . 1 1 44 44 VAL HG11 H 1 0.833 0.004 . 1 . . . . 131 VAL HG11 . 15942 1 494 . 1 1 44 44 VAL HG12 H 1 0.833 0.004 . 1 . . . . 131 VAL HG12 . 15942 1 495 . 1 1 44 44 VAL HG13 H 1 0.833 0.004 . 1 . . . . 131 VAL HG13 . 15942 1 496 . 1 1 44 44 VAL HG21 H 1 0.877 0.007 . 1 . . . . 131 VAL HG21 . 15942 1 497 . 1 1 44 44 VAL HG22 H 1 0.877 0.007 . 1 . . . . 131 VAL HG22 . 15942 1 498 . 1 1 44 44 VAL HG23 H 1 0.877 0.007 . 1 . . . . 131 VAL HG23 . 15942 1 499 . 1 1 44 44 VAL CA C 13 63.986 0.040 . 1 . . . . 131 VAL CA . 15942 1 500 . 1 1 44 44 VAL CB C 13 31.108 0.040 . 1 . . . . 131 VAL CB . 15942 1 501 . 1 1 44 44 VAL CG1 C 13 21.161 0.019 . 1 . . . . 131 VAL CG1 . 15942 1 502 . 1 1 44 44 VAL CG2 C 13 22.312 0.024 . 1 . . . . 131 VAL CG2 . 15942 1 503 . 1 1 44 44 VAL N N 15 129.469 0.013 . 1 . . . . 131 VAL N . 15942 1 504 . 1 1 45 45 CYS H H 1 8.314 0.004 . 1 . . . . 132 CYS H . 15942 1 505 . 1 1 45 45 CYS HA H 1 5.068 0.005 . 1 . . . . 132 CYS HA . 15942 1 506 . 1 1 45 45 CYS HB2 H 1 2.777 0.006 . 1 . . . . 132 CYS HB2 . 15942 1 507 . 1 1 45 45 CYS HB3 H 1 2.777 0.006 . 1 . . . . 132 CYS HB3 . 15942 1 508 . 1 1 45 45 CYS CA C 13 57.223 0.010 . 1 . . . . 132 CYS CA . 15942 1 509 . 1 1 45 45 CYS CB C 13 31.645 0.014 . 1 . . . . 132 CYS CB . 15942 1 510 . 1 1 45 45 CYS N N 15 123.813 0.008 . 1 . . . . 132 CYS N . 15942 1 511 . 1 1 46 46 ASP H H 1 8.690 0.003 . 1 . . . . 133 ASP H . 15942 1 512 . 1 1 46 46 ASP HA H 1 4.765 0.005 . 1 . . . . 133 ASP HA . 15942 1 513 . 1 1 46 46 ASP HB2 H 1 2.615 0.005 . 1 . . . . 133 ASP HB2 . 15942 1 514 . 1 1 46 46 ASP HB3 H 1 3.184 0.008 . 1 . . . . 133 ASP HB3 . 15942 1 515 . 1 1 46 46 ASP CA C 13 52.878 0.027 . 1 . . . . 133 ASP CA . 15942 1 516 . 1 1 46 46 ASP CB C 13 41.964 0.061 . 1 . . . . 133 ASP CB . 15942 1 517 . 1 1 46 46 ASP N N 15 123.318 0.008 . 1 . . . . 133 ASP N . 15942 1 518 . 1 1 47 47 GLU H H 1 9.357 0.013 . 1 . . . . 134 GLU H . 15942 1 519 . 1 1 47 47 GLU HA H 1 4.115 0.003 . 1 . . . . 134 GLU HA . 15942 1 520 . 1 1 47 47 GLU HB2 H 1 2.004 0.012 . 1 . . . . 134 GLU HB2 . 15942 1 521 . 1 1 47 47 GLU HB3 H 1 2.046 0.010 . 1 . . . . 134 GLU HB3 . 15942 1 522 . 1 1 47 47 GLU HG2 H 1 2.274 0.007 . 1 . . . . 134 GLU HG2 . 15942 1 523 . 1 1 47 47 GLU HG3 H 1 2.238 0.009 . 1 . . . . 134 GLU HG3 . 15942 1 524 . 1 1 47 47 GLU CA C 13 59.054 0.010 . 1 . . . . 134 GLU CA . 15942 1 525 . 1 1 47 47 GLU CB C 13 28.662 0.042 . 1 . . . . 134 GLU CB . 15942 1 526 . 1 1 47 47 GLU CG C 13 35.792 0.032 . 1 . . . . 134 GLU CG . 15942 1 527 . 1 1 47 47 GLU N N 15 119.825 0.008 . 1 . . . . 134 GLU N . 15942 1 528 . 1 1 48 48 ASN H H 1 8.568 0.003 . 1 . . . . 135 ASN H . 15942 1 529 . 1 1 48 48 ASN HA H 1 4.859 0.002 . 1 . . . . 135 ASN HA . 15942 1 530 . 1 1 48 48 ASN HB2 H 1 2.731 0.003 . 1 . . . . 135 ASN HB2 . 15942 1 531 . 1 1 48 48 ASN HB3 H 1 2.900 0.002 . 1 . . . . 135 ASN HB3 . 15942 1 532 . 1 1 48 48 ASN HD21 H 1 7.799 0.004 . 1 . . . . 135 ASN HD21 . 15942 1 533 . 1 1 48 48 ASN HD22 H 1 6.918 0.010 . 1 . . . . 135 ASN HD22 . 15942 1 534 . 1 1 48 48 ASN CA C 13 53.326 0.011 . 1 . . . . 135 ASN CA . 15942 1 535 . 1 1 48 48 ASN CB C 13 39.481 0.014 . 1 . . . . 135 ASN CB . 15942 1 536 . 1 1 48 48 ASN N N 15 117.026 0.011 . 1 . . . . 135 ASN N . 15942 1 537 . 1 1 48 48 ASN ND2 N 15 115.154 0.025 . 1 . . . . 135 ASN ND2 . 15942 1 538 . 1 1 49 49 GLY H H 1 7.972 0.002 . 1 . . . . 136 GLY H . 15942 1 539 . 1 1 49 49 GLY HA2 H 1 3.798 0.008 . 1 . . . . 136 GLY HA2 . 15942 1 540 . 1 1 49 49 GLY HA3 H 1 4.402 0.006 . 1 . . . . 136 GLY HA3 . 15942 1 541 . 1 1 49 49 GLY CA C 13 44.190 0.038 . 1 . . . . 136 GLY CA . 15942 1 542 . 1 1 49 49 GLY N N 15 108.730 0.027 . 1 . . . . 136 GLY N . 15942 1 543 . 1 1 50 50 SER H H 1 8.601 0.005 . 1 . . . . 137 SER H . 15942 1 544 . 1 1 50 50 SER HA H 1 4.591 0.004 . 1 . . . . 137 SER HA . 15942 1 545 . 1 1 50 50 SER HB2 H 1 4.012 0.002 . 1 . . . . 137 SER HB2 . 15942 1 546 . 1 1 50 50 SER HB3 H 1 3.708 0.003 . 1 . . . . 137 SER HB3 . 15942 1 547 . 1 1 50 50 SER CA C 13 58.538 0.020 . 1 . . . . 137 SER CA . 15942 1 548 . 1 1 50 50 SER CB C 13 63.834 0.011 . 1 . . . . 137 SER CB . 15942 1 549 . 1 1 50 50 SER N N 15 115.096 0.018 . 1 . . . . 137 SER N . 15942 1 550 . 1 1 51 51 LYS H H 1 9.244 0.007 . 1 . . . . 138 LYS H . 15942 1 551 . 1 1 51 51 LYS HA H 1 4.450 0.003 . 1 . . . . 138 LYS HA . 15942 1 552 . 1 1 51 51 LYS HB2 H 1 1.248 0.007 . 1 . . . . 138 LYS HB2 . 15942 1 553 . 1 1 51 51 LYS HB3 H 1 2.030 0.002 . 1 . . . . 138 LYS HB3 . 15942 1 554 . 1 1 51 51 LYS HD2 H 1 1.621 0.005 . 1 . . . . 138 LYS HD2 . 15942 1 555 . 1 1 51 51 LYS HD3 H 1 1.621 0.005 . 1 . . . . 138 LYS HD3 . 15942 1 556 . 1 1 51 51 LYS HE2 H 1 3.021 0.003 . 1 . . . . 138 LYS HE2 . 15942 1 557 . 1 1 51 51 LYS HE3 H 1 3.021 0.003 . 1 . . . . 138 LYS HE3 . 15942 1 558 . 1 1 51 51 LYS HG2 H 1 1.359 0.005 . 1 . . . . 138 LYS HG2 . 15942 1 559 . 1 1 51 51 LYS HG3 H 1 1.359 0.005 . 1 . . . . 138 LYS HG3 . 15942 1 560 . 1 1 51 51 LYS CA C 13 56.100 0.018 . 1 . . . . 138 LYS CA . 15942 1 561 . 1 1 51 51 LYS CB C 13 32.522 0.023 . 1 . . . . 138 LYS CB . 15942 1 562 . 1 1 51 51 LYS CD C 13 28.857 0.040 . 1 . . . . 138 LYS CD . 15942 1 563 . 1 1 51 51 LYS CE C 13 41.694 0.024 . 1 . . . . 138 LYS CE . 15942 1 564 . 1 1 51 51 LYS CG C 13 25.151 0.038 . 1 . . . . 138 LYS CG . 15942 1 565 . 1 1 51 51 LYS N N 15 124.811 0.029 . 1 . . . . 138 LYS N . 15942 1 566 . 1 1 52 52 GLY H H 1 9.222 0.008 . 1 . . . . 139 GLY H . 15942 1 567 . 1 1 52 52 GLY HA2 H 1 4.154 0.007 . 1 . . . . 139 GLY HA2 . 15942 1 568 . 1 1 52 52 GLY HA3 H 1 3.804 0.007 . 1 . . . . 139 GLY HA3 . 15942 1 569 . 1 1 52 52 GLY CA C 13 45.720 0.060 . 1 . . . . 139 GLY CA . 15942 1 570 . 1 1 52 52 GLY N N 15 107.802 0.015 . 1 . . . . 139 GLY N . 15942 1 571 . 1 1 53 53 TYR H H 1 7.299 0.007 . 1 . . . . 140 TYR H . 15942 1 572 . 1 1 53 53 TYR HA H 1 5.317 0.005 . 1 . . . . 140 TYR HA . 15942 1 573 . 1 1 53 53 TYR HB2 H 1 3.159 0.006 . 1 . . . . 140 TYR HB2 . 15942 1 574 . 1 1 53 53 TYR HB3 H 1 3.064 0.004 . 1 . . . . 140 TYR HB3 . 15942 1 575 . 1 1 53 53 TYR HD1 H 1 6.811 0.009 . 3 . . . . 140 TYR HD1 . 15942 1 576 . 1 1 53 53 TYR HD2 H 1 6.811 0.009 . 3 . . . . 140 TYR HD2 . 15942 1 577 . 1 1 53 53 TYR HE1 H 1 6.800 0.008 . 3 . . . . 140 TYR HE1 . 15942 1 578 . 1 1 53 53 TYR HE2 H 1 6.800 0.008 . 3 . . . . 140 TYR HE2 . 15942 1 579 . 1 1 53 53 TYR CA C 13 55.047 0.031 . 1 . . . . 140 TYR CA . 15942 1 580 . 1 1 53 53 TYR CB C 13 40.882 0.032 . 1 . . . . 140 TYR CB . 15942 1 581 . 1 1 53 53 TYR CD1 C 13 133.694 0.043 . 3 . . . . 140 TYR CD1 . 15942 1 582 . 1 1 53 53 TYR CD2 C 13 133.694 0.043 . 3 . . . . 140 TYR CD2 . 15942 1 583 . 1 1 53 53 TYR CE1 C 13 118.206 0.083 . 3 . . . . 140 TYR CE1 . 15942 1 584 . 1 1 53 53 TYR CE2 C 13 118.206 0.083 . 3 . . . . 140 TYR CE2 . 15942 1 585 . 1 1 53 53 TYR N N 15 114.258 0.027 . 1 . . . . 140 TYR N . 15942 1 586 . 1 1 54 54 GLY H H 1 8.929 0.004 . 1 . . . . 141 GLY H . 15942 1 587 . 1 1 54 54 GLY HA2 H 1 4.393 0.007 . 1 . . . . 141 GLY HA2 . 15942 1 588 . 1 1 54 54 GLY HA3 H 1 3.771 0.010 . 1 . . . . 141 GLY HA3 . 15942 1 589 . 1 1 54 54 GLY CA C 13 45.419 0.052 . 1 . . . . 141 GLY CA . 15942 1 590 . 1 1 54 54 GLY N N 15 105.754 0.017 . 1 . . . . 141 GLY N . 15942 1 591 . 1 1 55 55 PHE H H 1 8.686 0.003 . 1 . . . . 142 PHE H . 15942 1 592 . 1 1 55 55 PHE HA H 1 5.505 0.004 . 1 . . . . 142 PHE HA . 15942 1 593 . 1 1 55 55 PHE HB2 H 1 2.683 0.004 . 1 . . . . 142 PHE HB2 . 15942 1 594 . 1 1 55 55 PHE HB3 H 1 3.080 0.008 . 1 . . . . 142 PHE HB3 . 15942 1 595 . 1 1 55 55 PHE HD1 H 1 6.982 0.008 . 3 . . . . 142 PHE HD1 . 15942 1 596 . 1 1 55 55 PHE HD2 H 1 6.982 0.008 . 3 . . . . 142 PHE HD2 . 15942 1 597 . 1 1 55 55 PHE HE1 H 1 7.094 0.019 . 3 . . . . 142 PHE HE1 . 15942 1 598 . 1 1 55 55 PHE HE2 H 1 7.105 0.001 . 3 . . . . 142 PHE HE2 . 15942 1 599 . 1 1 55 55 PHE CA C 13 56.123 0.011 . 1 . . . . 142 PHE CA . 15942 1 600 . 1 1 55 55 PHE CB C 13 43.723 0.042 . 1 . . . . 142 PHE CB . 15942 1 601 . 1 1 55 55 PHE CD1 C 13 131.913 0.161 . 3 . . . . 142 PHE CD1 . 15942 1 602 . 1 1 55 55 PHE CD2 C 13 131.913 0.161 . 3 . . . . 142 PHE CD2 . 15942 1 603 . 1 1 55 55 PHE CE1 C 13 131.587 0.024 . 3 . . . . 142 PHE CE1 . 15942 1 604 . 1 1 55 55 PHE CE2 C 13 131.587 0.024 . 3 . . . . 142 PHE CE2 . 15942 1 605 . 1 1 55 55 PHE N N 15 115.891 0.010 . 1 . . . . 142 PHE N . 15942 1 606 . 1 1 56 56 VAL H H 1 8.069 0.006 . 1 . . . . 143 VAL H . 15942 1 607 . 1 1 56 56 VAL HA H 1 3.995 0.008 . 1 . . . . 143 VAL HA . 15942 1 608 . 1 1 56 56 VAL HB H 1 1.222 0.005 . 1 . . . . 143 VAL HB . 15942 1 609 . 1 1 56 56 VAL HG11 H 1 -0.128 0.002 . 1 . . . . 143 VAL HG11 . 15942 1 610 . 1 1 56 56 VAL HG12 H 1 -0.128 0.002 . 1 . . . . 143 VAL HG12 . 15942 1 611 . 1 1 56 56 VAL HG13 H 1 -0.128 0.002 . 1 . . . . 143 VAL HG13 . 15942 1 612 . 1 1 56 56 VAL HG21 H 1 0.215 0.004 . 1 . . . . 143 VAL HG21 . 15942 1 613 . 1 1 56 56 VAL HG22 H 1 0.215 0.004 . 1 . . . . 143 VAL HG22 . 15942 1 614 . 1 1 56 56 VAL HG23 H 1 0.215 0.004 . 1 . . . . 143 VAL HG23 . 15942 1 615 . 1 1 56 56 VAL CA C 13 61.694 0.028 . 1 . . . . 143 VAL CA . 15942 1 616 . 1 1 56 56 VAL CB C 13 34.577 0.022 . 1 . . . . 143 VAL CB . 15942 1 617 . 1 1 56 56 VAL CG1 C 13 21.802 0.014 . 1 . . . . 143 VAL CG1 . 15942 1 618 . 1 1 56 56 VAL CG2 C 13 21.260 0.024 . 1 . . . . 143 VAL CG2 . 15942 1 619 . 1 1 56 56 VAL N N 15 119.861 0.014 . 1 . . . . 143 VAL N . 15942 1 620 . 1 1 57 57 HIS H H 1 8.648 0.004 . 1 . . . . 144 HIS H . 15942 1 621 . 1 1 57 57 HIS HA H 1 5.177 0.005 . 1 . . . . 144 HIS HA . 15942 1 622 . 1 1 57 57 HIS HB2 H 1 2.925 0.005 . 1 . . . . 144 HIS HB2 . 15942 1 623 . 1 1 57 57 HIS HB3 H 1 3.119 0.007 . 1 . . . . 144 HIS HB3 . 15942 1 624 . 1 1 57 57 HIS HD1 H 1 7.631 0.019 . 1 . . . . 144 HIS HD1 . 15942 1 625 . 1 1 57 57 HIS HD2 H 1 6.816 0.011 . 1 . . . . 144 HIS HD2 . 15942 1 626 . 1 1 57 57 HIS HE1 H 1 7.637 0.001 . 1 . . . . 144 HIS HE1 . 15942 1 627 . 1 1 57 57 HIS CA C 13 53.086 0.025 . 1 . . . . 144 HIS CA . 15942 1 628 . 1 1 57 57 HIS CB C 13 31.347 0.018 . 1 . . . . 144 HIS CB . 15942 1 629 . 1 1 57 57 HIS CD2 C 13 119.779 0.047 . 1 . . . . 144 HIS CD2 . 15942 1 630 . 1 1 57 57 HIS CE1 C 13 137.765 0.030 . 1 . . . . 144 HIS CE1 . 15942 1 631 . 1 1 57 57 HIS N N 15 126.475 0.005 . 1 . . . . 144 HIS N . 15942 1 632 . 1 1 58 58 PHE H H 1 9.154 0.006 . 1 . . . . 145 PHE H . 15942 1 633 . 1 1 58 58 PHE HA H 1 5.010 0.006 . 1 . . . . 145 PHE HA . 15942 1 634 . 1 1 58 58 PHE HB2 H 1 3.256 0.003 . 1 . . . . 145 PHE HB2 . 15942 1 635 . 1 1 58 58 PHE HB3 H 1 3.410 0.004 . 1 . . . . 145 PHE HB3 . 15942 1 636 . 1 1 58 58 PHE HD1 H 1 7.053 0.006 . 3 . . . . 145 PHE HD1 . 15942 1 637 . 1 1 58 58 PHE HD2 H 1 7.053 0.006 . 3 . . . . 145 PHE HD2 . 15942 1 638 . 1 1 58 58 PHE HE1 H 1 7.166 0.005 . 3 . . . . 145 PHE HE1 . 15942 1 639 . 1 1 58 58 PHE HE2 H 1 7.166 0.005 . 3 . . . . 145 PHE HE2 . 15942 1 640 . 1 1 58 58 PHE HZ H 1 7.546 0.003 . 1 . . . . 145 PHE HZ . 15942 1 641 . 1 1 58 58 PHE CA C 13 58.642 0.031 . 1 . . . . 145 PHE CA . 15942 1 642 . 1 1 58 58 PHE CB C 13 41.590 0.022 . 1 . . . . 145 PHE CB . 15942 1 643 . 1 1 58 58 PHE CD1 C 13 131.980 0.118 . 3 . . . . 145 PHE CD1 . 15942 1 644 . 1 1 58 58 PHE CD2 C 13 131.980 0.118 . 3 . . . . 145 PHE CD2 . 15942 1 645 . 1 1 58 58 PHE CE1 C 13 131.562 0.136 . 3 . . . . 145 PHE CE1 . 15942 1 646 . 1 1 58 58 PHE CE2 C 13 131.562 0.136 . 3 . . . . 145 PHE CE2 . 15942 1 647 . 1 1 58 58 PHE CZ C 13 129.339 0.035 . 1 . . . . 145 PHE CZ . 15942 1 648 . 1 1 58 58 PHE N N 15 124.690 0.013 . 1 . . . . 145 PHE N . 15942 1 649 . 1 1 59 59 GLU H H 1 8.447 0.005 . 1 . . . . 146 GLU H . 15942 1 650 . 1 1 59 59 GLU HA H 1 3.957 0.010 . 1 . . . . 146 GLU HA . 15942 1 651 . 1 1 59 59 GLU HB2 H 1 2.370 0.010 . 1 . . . . 146 GLU HB2 . 15942 1 652 . 1 1 59 59 GLU HB3 H 1 1.994 0.005 . 1 . . . . 146 GLU HB3 . 15942 1 653 . 1 1 59 59 GLU HG2 H 1 2.331 0.008 . 1 . . . . 146 GLU HG2 . 15942 1 654 . 1 1 59 59 GLU HG3 H 1 2.331 0.008 . 1 . . . . 146 GLU HG3 . 15942 1 655 . 1 1 59 59 GLU CA C 13 59.158 0.039 . 1 . . . . 146 GLU CA . 15942 1 656 . 1 1 59 59 GLU CB C 13 31.184 0.018 . 1 . . . . 146 GLU CB . 15942 1 657 . 1 1 59 59 GLU CG C 13 36.636 0.031 . 1 . . . . 146 GLU CG . 15942 1 658 . 1 1 59 59 GLU N N 15 118.732 0.014 . 1 . . . . 146 GLU N . 15942 1 659 . 1 1 60 60 THR H H 1 7.870 0.003 . 1 . . . . 147 THR H . 15942 1 660 . 1 1 60 60 THR HA H 1 4.837 0.003 . 1 . . . . 147 THR HA . 15942 1 661 . 1 1 60 60 THR HB H 1 4.676 0.006 . 1 . . . . 147 THR HB . 15942 1 662 . 1 1 60 60 THR HG21 H 1 1.270 0.004 . 1 . . . . 147 THR HG21 . 15942 1 663 . 1 1 60 60 THR HG22 H 1 1.270 0.004 . 1 . . . . 147 THR HG22 . 15942 1 664 . 1 1 60 60 THR HG23 H 1 1.270 0.004 . 1 . . . . 147 THR HG23 . 15942 1 665 . 1 1 60 60 THR CA C 13 58.498 0.018 . 1 . . . . 147 THR CA . 15942 1 666 . 1 1 60 60 THR CB C 13 72.209 0.076 . 1 . . . . 147 THR CB . 15942 1 667 . 1 1 60 60 THR CG2 C 13 21.823 0.013 . 1 . . . . 147 THR CG2 . 15942 1 668 . 1 1 60 60 THR N N 15 103.829 0.009 . 1 . . . . 147 THR N . 15942 1 669 . 1 1 61 61 GLN H H 1 8.811 0.003 . 1 . . . . 148 GLN H . 15942 1 670 . 1 1 61 61 GLN HA H 1 3.967 0.004 . 1 . . . . 148 GLN HA . 15942 1 671 . 1 1 61 61 GLN HB2 H 1 1.948 0.004 . 1 . . . . 148 GLN HB2 . 15942 1 672 . 1 1 61 61 GLN HB3 H 1 2.087 0.007 . 1 . . . . 148 GLN HB3 . 15942 1 673 . 1 1 61 61 GLN HE21 H 1 7.864 0.007 . 1 . . . . 148 GLN HE21 . 15942 1 674 . 1 1 61 61 GLN HE22 H 1 6.917 0.021 . 1 . . . . 148 GLN HE22 . 15942 1 675 . 1 1 61 61 GLN HG2 H 1 2.370 0.004 . 1 . . . . 148 GLN HG2 . 15942 1 676 . 1 1 61 61 GLN HG3 H 1 2.370 0.004 . 1 . . . . 148 GLN HG3 . 15942 1 677 . 1 1 61 61 GLN CA C 13 58.105 0.063 . 1 . . . . 148 GLN CA . 15942 1 678 . 1 1 61 61 GLN CB C 13 28.524 0.064 . 1 . . . . 148 GLN CB . 15942 1 679 . 1 1 61 61 GLN CG C 13 33.264 0.041 . 1 . . . . 148 GLN CG . 15942 1 680 . 1 1 61 61 GLN N N 15 121.393 0.010 . 1 . . . . 148 GLN N . 15942 1 681 . 1 1 61 61 GLN NE2 N 15 112.557 0.020 . 1 . . . . 148 GLN NE2 . 15942 1 682 . 1 1 62 62 GLU H H 1 8.804 0.002 . 1 . . . . 149 GLU H . 15942 1 683 . 1 1 62 62 GLU HA H 1 3.899 0.002 . 1 . . . . 149 GLU HA . 15942 1 684 . 1 1 62 62 GLU HB2 H 1 2.057 0.006 . 1 . . . . 149 GLU HB2 . 15942 1 685 . 1 1 62 62 GLU HB3 H 1 1.889 0.004 . 1 . . . . 149 GLU HB3 . 15942 1 686 . 1 1 62 62 GLU HG2 H 1 2.365 0.004 . 1 . . . . 149 GLU HG2 . 15942 1 687 . 1 1 62 62 GLU HG3 H 1 2.263 0.007 . 1 . . . . 149 GLU HG3 . 15942 1 688 . 1 1 62 62 GLU CA C 13 60.129 0.011 . 1 . . . . 149 GLU CA . 15942 1 689 . 1 1 62 62 GLU CB C 13 28.842 0.039 . 1 . . . . 149 GLU CB . 15942 1 690 . 1 1 62 62 GLU CG C 13 36.712 0.028 . 1 . . . . 149 GLU CG . 15942 1 691 . 1 1 62 62 GLU N N 15 118.596 0.008 . 1 . . . . 149 GLU N . 15942 1 692 . 1 1 63 63 ALA H H 1 7.452 0.002 . 1 . . . . 150 ALA H . 15942 1 693 . 1 1 63 63 ALA HA H 1 3.708 0.003 . 1 . . . . 150 ALA HA . 15942 1 694 . 1 1 63 63 ALA HB1 H 1 0.895 0.005 . 1 . . . . 150 ALA HB1 . 15942 1 695 . 1 1 63 63 ALA HB2 H 1 0.895 0.005 . 1 . . . . 150 ALA HB2 . 15942 1 696 . 1 1 63 63 ALA HB3 H 1 0.895 0.005 . 1 . . . . 150 ALA HB3 . 15942 1 697 . 1 1 63 63 ALA CA C 13 54.958 0.028 . 1 . . . . 150 ALA CA . 15942 1 698 . 1 1 63 63 ALA CB C 13 20.122 0.016 . 1 . . . . 150 ALA CB . 15942 1 699 . 1 1 63 63 ALA N N 15 121.884 0.007 . 1 . . . . 150 ALA N . 15942 1 700 . 1 1 64 64 ALA H H 1 6.511 0.004 . 1 . . . . 151 ALA H . 15942 1 701 . 1 1 64 64 ALA HA H 1 3.577 0.005 . 1 . . . . 151 ALA HA . 15942 1 702 . 1 1 64 64 ALA HB1 H 1 1.434 0.004 . 1 . . . . 151 ALA HB1 . 15942 1 703 . 1 1 64 64 ALA HB2 H 1 1.434 0.004 . 1 . . . . 151 ALA HB2 . 15942 1 704 . 1 1 64 64 ALA HB3 H 1 1.434 0.004 . 1 . . . . 151 ALA HB3 . 15942 1 705 . 1 1 64 64 ALA CA C 13 54.982 0.016 . 1 . . . . 151 ALA CA . 15942 1 706 . 1 1 64 64 ALA CB C 13 18.183 0.014 . 1 . . . . 151 ALA CB . 15942 1 707 . 1 1 64 64 ALA N N 15 117.725 0.023 . 1 . . . . 151 ALA N . 15942 1 708 . 1 1 65 65 GLU H H 1 8.148 0.003 . 1 . . . . 152 GLU H . 15942 1 709 . 1 1 65 65 GLU HA H 1 3.796 0.001 . 1 . . . . 152 GLU HA . 15942 1 710 . 1 1 65 65 GLU HB2 H 1 1.997 0.006 . 1 . . . . 152 GLU HB2 . 15942 1 711 . 1 1 65 65 GLU HB3 H 1 1.997 0.006 . 1 . . . . 152 GLU HB3 . 15942 1 712 . 1 1 65 65 GLU HG2 H 1 2.400 0.005 . 1 . . . . 152 GLU HG2 . 15942 1 713 . 1 1 65 65 GLU HG3 H 1 2.295 0.009 . 1 . . . . 152 GLU HG3 . 15942 1 714 . 1 1 65 65 GLU CA C 13 59.125 0.021 . 1 . . . . 152 GLU CA . 15942 1 715 . 1 1 65 65 GLU CB C 13 29.030 0.022 . 1 . . . . 152 GLU CB . 15942 1 716 . 1 1 65 65 GLU CG C 13 36.546 0.042 . 1 . . . . 152 GLU CG . 15942 1 717 . 1 1 65 65 GLU N N 15 115.073 0.010 . 1 . . . . 152 GLU N . 15942 1 718 . 1 1 66 66 ARG H H 1 7.894 0.004 . 1 . . . . 153 ARG H . 15942 1 719 . 1 1 66 66 ARG HA H 1 3.983 0.002 . 1 . . . . 153 ARG HA . 15942 1 720 . 1 1 66 66 ARG HB2 H 1 1.839 0.006 . 1 . . . . 153 ARG HB2 . 15942 1 721 . 1 1 66 66 ARG HB3 H 1 1.993 0.007 . 1 . . . . 153 ARG HB3 . 15942 1 722 . 1 1 66 66 ARG HD2 H 1 3.289 0.009 . 1 . . . . 153 ARG HD2 . 15942 1 723 . 1 1 66 66 ARG HD3 H 1 3.327 0.008 . 1 . . . . 153 ARG HD3 . 15942 1 724 . 1 1 66 66 ARG HG2 H 1 1.803 0.004 . 1 . . . . 153 ARG HG2 . 15942 1 725 . 1 1 66 66 ARG HG3 H 1 1.684 0.005 . 1 . . . . 153 ARG HG3 . 15942 1 726 . 1 1 66 66 ARG CA C 13 59.056 0.017 . 1 . . . . 153 ARG CA . 15942 1 727 . 1 1 66 66 ARG CB C 13 30.659 0.036 . 1 . . . . 153 ARG CB . 15942 1 728 . 1 1 66 66 ARG CD C 13 43.730 0.014 . 1 . . . . 153 ARG CD . 15942 1 729 . 1 1 66 66 ARG CG C 13 28.019 0.028 . 1 . . . . 153 ARG CG . 15942 1 730 . 1 1 66 66 ARG N N 15 120.435 0.007 . 1 . . . . 153 ARG N . 15942 1 731 . 1 1 67 67 ALA H H 1 7.834 0.006 . 1 . . . . 154 ALA H . 15942 1 732 . 1 1 67 67 ALA HA H 1 2.305 0.005 . 1 . . . . 154 ALA HA . 15942 1 733 . 1 1 67 67 ALA HB1 H 1 1.237 0.004 . 1 . . . . 154 ALA HB1 . 15942 1 734 . 1 1 67 67 ALA HB2 H 1 1.237 0.004 . 1 . . . . 154 ALA HB2 . 15942 1 735 . 1 1 67 67 ALA HB3 H 1 1.237 0.004 . 1 . . . . 154 ALA HB3 . 15942 1 736 . 1 1 67 67 ALA CA C 13 54.553 0.027 . 1 . . . . 154 ALA CA . 15942 1 737 . 1 1 67 67 ALA CB C 13 19.329 0.012 . 1 . . . . 154 ALA CB . 15942 1 738 . 1 1 67 67 ALA N N 15 121.568 0.004 . 1 . . . . 154 ALA N . 15942 1 739 . 1 1 68 68 ILE H H 1 7.900 0.005 . 1 . . . . 155 ILE H . 15942 1 740 . 1 1 68 68 ILE HA H 1 3.148 0.005 . 1 . . . . 155 ILE HA . 15942 1 741 . 1 1 68 68 ILE HB H 1 1.664 0.005 . 1 . . . . 155 ILE HB . 15942 1 742 . 1 1 68 68 ILE HD11 H 1 0.696 0.002 . 1 . . . . 155 ILE HD11 . 15942 1 743 . 1 1 68 68 ILE HD12 H 1 0.696 0.002 . 1 . . . . 155 ILE HD12 . 15942 1 744 . 1 1 68 68 ILE HD13 H 1 0.696 0.002 . 1 . . . . 155 ILE HD13 . 15942 1 745 . 1 1 68 68 ILE HG12 H 1 0.469 0.003 . 1 . . . . 155 ILE HG12 . 15942 1 746 . 1 1 68 68 ILE HG13 H 1 1.754 0.003 . 1 . . . . 155 ILE HG13 . 15942 1 747 . 1 1 68 68 ILE HG21 H 1 0.828 0.007 . 1 . . . . 155 ILE HG21 . 15942 1 748 . 1 1 68 68 ILE HG22 H 1 0.828 0.007 . 1 . . . . 155 ILE HG22 . 15942 1 749 . 1 1 68 68 ILE HG23 H 1 0.828 0.007 . 1 . . . . 155 ILE HG23 . 15942 1 750 . 1 1 68 68 ILE CA C 13 65.913 0.024 . 1 . . . . 155 ILE CA . 15942 1 751 . 1 1 68 68 ILE CB C 13 38.867 0.015 . 1 . . . . 155 ILE CB . 15942 1 752 . 1 1 68 68 ILE CD1 C 13 14.512 0.009 . 1 . . . . 155 ILE CD1 . 15942 1 753 . 1 1 68 68 ILE CG1 C 13 29.954 0.023 . 1 . . . . 155 ILE CG1 . 15942 1 754 . 1 1 68 68 ILE CG2 C 13 17.229 0.009 . 1 . . . . 155 ILE CG2 . 15942 1 755 . 1 1 68 68 ILE N N 15 117.448 0.005 . 1 . . . . 155 ILE N . 15942 1 756 . 1 1 69 69 GLU H H 1 7.717 0.003 . 1 . . . . 156 GLU H . 15942 1 757 . 1 1 69 69 GLU HA H 1 3.869 0.004 . 1 . . . . 156 GLU HA . 15942 1 758 . 1 1 69 69 GLU HB2 H 1 2.025 0.008 . 1 . . . . 156 GLU HB2 . 15942 1 759 . 1 1 69 69 GLU HB3 H 1 2.074 0.013 . 1 . . . . 156 GLU HB3 . 15942 1 760 . 1 1 69 69 GLU HG2 H 1 2.303 0.007 . 1 . . . . 156 GLU HG2 . 15942 1 761 . 1 1 69 69 GLU HG3 H 1 2.136 0.012 . 1 . . . . 156 GLU HG3 . 15942 1 762 . 1 1 69 69 GLU CA C 13 59.238 0.016 . 1 . . . . 156 GLU CA . 15942 1 763 . 1 1 69 69 GLU CB C 13 29.866 0.031 . 1 . . . . 156 GLU CB . 15942 1 764 . 1 1 69 69 GLU CG C 13 36.072 0.093 . 1 . . . . 156 GLU CG . 15942 1 765 . 1 1 69 69 GLU N N 15 117.854 0.004 . 1 . . . . 156 GLU N . 15942 1 766 . 1 1 70 70 LYS H H 1 7.910 0.004 . 1 . . . . 157 LYS H . 15942 1 767 . 1 1 70 70 LYS HA H 1 4.232 0.002 . 1 . . . . 157 LYS HA . 15942 1 768 . 1 1 70 70 LYS HB2 H 1 1.714 0.006 . 1 . . . . 157 LYS HB2 . 15942 1 769 . 1 1 70 70 LYS HB3 H 1 1.714 0.006 . 1 . . . . 157 LYS HB3 . 15942 1 770 . 1 1 70 70 LYS HD2 H 1 1.705 0.004 . 1 . . . . 157 LYS HD2 . 15942 1 771 . 1 1 70 70 LYS HD3 H 1 1.705 0.004 . 1 . . . . 157 LYS HD3 . 15942 1 772 . 1 1 70 70 LYS HE2 H 1 2.993 0.007 . 1 . . . . 157 LYS HE2 . 15942 1 773 . 1 1 70 70 LYS HE3 H 1 2.993 0.007 . 1 . . . . 157 LYS HE3 . 15942 1 774 . 1 1 70 70 LYS HG2 H 1 1.577 0.003 . 1 . . . . 157 LYS HG2 . 15942 1 775 . 1 1 70 70 LYS HG3 H 1 1.490 0.003 . 1 . . . . 157 LYS HG3 . 15942 1 776 . 1 1 70 70 LYS CA C 13 56.615 0.026 . 1 . . . . 157 LYS CA . 15942 1 777 . 1 1 70 70 LYS CB C 13 33.183 0.018 . 1 . . . . 157 LYS CB . 15942 1 778 . 1 1 70 70 LYS CD C 13 28.142 0.021 . 1 . . . . 157 LYS CD . 15942 1 779 . 1 1 70 70 LYS CE C 13 42.267 0.028 . 1 . . . . 157 LYS CE . 15942 1 780 . 1 1 70 70 LYS CG C 13 24.963 0.028 . 1 . . . . 157 LYS CG . 15942 1 781 . 1 1 70 70 LYS N N 15 114.346 0.006 . 1 . . . . 157 LYS N . 15942 1 782 . 1 1 71 71 MET H H 1 7.930 0.004 . 1 . . . . 158 MET H . 15942 1 783 . 1 1 71 71 MET HA H 1 4.801 0.004 . 1 . . . . 158 MET HA . 15942 1 784 . 1 1 71 71 MET HB2 H 1 2.110 0.007 . 1 . . . . 158 MET HB2 . 15942 1 785 . 1 1 71 71 MET HB3 H 1 1.878 0.004 . 1 . . . . 158 MET HB3 . 15942 1 786 . 1 1 71 71 MET HE1 H 1 1.708 0.003 . 1 . . . . 158 MET HE1 . 15942 1 787 . 1 1 71 71 MET HE2 H 1 1.708 0.003 . 1 . . . . 158 MET HE2 . 15942 1 788 . 1 1 71 71 MET HE3 H 1 1.708 0.003 . 1 . . . . 158 MET HE3 . 15942 1 789 . 1 1 71 71 MET HG2 H 1 2.226 0.005 . 1 . . . . 158 MET HG2 . 15942 1 790 . 1 1 71 71 MET HG3 H 1 2.226 0.005 . 1 . . . . 158 MET HG3 . 15942 1 791 . 1 1 71 71 MET CA C 13 53.780 0.021 . 1 . . . . 158 MET CA . 15942 1 792 . 1 1 71 71 MET CB C 13 32.454 0.074 . 1 . . . . 158 MET CB . 15942 1 793 . 1 1 71 71 MET CE C 13 15.995 0.014 . 1 . . . . 158 MET CE . 15942 1 794 . 1 1 71 71 MET CG C 13 32.892 0.039 . 1 . . . . 158 MET CG . 15942 1 795 . 1 1 71 71 MET N N 15 112.274 0.013 . 1 . . . . 158 MET N . 15942 1 796 . 1 1 72 72 ASN H H 1 7.963 0.003 . 1 . . . . 159 ASN H . 15942 1 797 . 1 1 72 72 ASN HA H 1 4.333 0.003 . 1 . . . . 159 ASN HA . 15942 1 798 . 1 1 72 72 ASN HB2 H 1 2.934 0.004 . 1 . . . . 159 ASN HB2 . 15942 1 799 . 1 1 72 72 ASN HB3 H 1 3.085 0.010 . 1 . . . . 159 ASN HB3 . 15942 1 800 . 1 1 72 72 ASN HD21 H 1 7.629 0.008 . 1 . . . . 159 ASN HD21 . 15942 1 801 . 1 1 72 72 ASN HD22 H 1 6.768 0.005 . 1 . . . . 159 ASN HD22 . 15942 1 802 . 1 1 72 72 ASN CA C 13 56.741 0.015 . 1 . . . . 159 ASN CA . 15942 1 803 . 1 1 72 72 ASN CB C 13 38.405 0.012 . 1 . . . . 159 ASN CB . 15942 1 804 . 1 1 72 72 ASN N N 15 116.361 0.007 . 1 . . . . 159 ASN N . 15942 1 805 . 1 1 72 72 ASN ND2 N 15 113.442 0.019 . 1 . . . . 159 ASN ND2 . 15942 1 806 . 1 1 73 73 GLY H H 1 8.897 0.003 . 1 . . . . 160 GLY H . 15942 1 807 . 1 1 73 73 GLY HA2 H 1 3.541 0.003 . 1 . . . . 160 GLY HA2 . 15942 1 808 . 1 1 73 73 GLY HA3 H 1 4.159 0.005 . 1 . . . . 160 GLY HA3 . 15942 1 809 . 1 1 73 73 GLY CA C 13 45.912 0.030 . 1 . . . . 160 GLY CA . 15942 1 810 . 1 1 73 73 GLY N N 15 117.237 0.015 . 1 . . . . 160 GLY N . 15942 1 811 . 1 1 74 74 MET H H 1 7.786 0.004 . 1 . . . . 161 MET H . 15942 1 812 . 1 1 74 74 MET HA H 1 4.499 0.004 . 1 . . . . 161 MET HA . 15942 1 813 . 1 1 74 74 MET HB2 H 1 1.959 0.003 . 1 . . . . 161 MET HB2 . 15942 1 814 . 1 1 74 74 MET HB3 H 1 2.134 0.005 . 1 . . . . 161 MET HB3 . 15942 1 815 . 1 1 74 74 MET HE1 H 1 2.077 0.001 . 1 . . . . 161 MET HE1 . 15942 1 816 . 1 1 74 74 MET HE2 H 1 2.077 0.001 . 1 . . . . 161 MET HE2 . 15942 1 817 . 1 1 74 74 MET HE3 H 1 2.077 0.001 . 1 . . . . 161 MET HE3 . 15942 1 818 . 1 1 74 74 MET HG2 H 1 2.355 0.005 . 1 . . . . 161 MET HG2 . 15942 1 819 . 1 1 74 74 MET HG3 H 1 2.828 0.002 . 1 . . . . 161 MET HG3 . 15942 1 820 . 1 1 74 74 MET CA C 13 54.177 0.028 . 1 . . . . 161 MET CA . 15942 1 821 . 1 1 74 74 MET CB C 13 33.028 0.023 . 1 . . . . 161 MET CB . 15942 1 822 . 1 1 74 74 MET CE C 13 17.789 0.024 . 1 . . . . 161 MET CE . 15942 1 823 . 1 1 74 74 MET CG C 13 33.037 0.052 . 1 . . . . 161 MET CG . 15942 1 824 . 1 1 74 74 MET N N 15 120.006 0.007 . 1 . . . . 161 MET N . 15942 1 825 . 1 1 75 75 LEU H H 1 8.019 0.003 . 1 . . . . 162 LEU H . 15942 1 826 . 1 1 75 75 LEU HA H 1 4.516 0.007 . 1 . . . . 162 LEU HA . 15942 1 827 . 1 1 75 75 LEU HB2 H 1 1.627 0.002 . 1 . . . . 162 LEU HB2 . 15942 1 828 . 1 1 75 75 LEU HB3 H 1 1.262 0.004 . 1 . . . . 162 LEU HB3 . 15942 1 829 . 1 1 75 75 LEU HD11 H 1 0.798 0.002 . 1 . . . . 162 LEU HD11 . 15942 1 830 . 1 1 75 75 LEU HD12 H 1 0.798 0.002 . 1 . . . . 162 LEU HD12 . 15942 1 831 . 1 1 75 75 LEU HD13 H 1 0.798 0.002 . 1 . . . . 162 LEU HD13 . 15942 1 832 . 1 1 75 75 LEU HD21 H 1 0.669 0.003 . 1 . . . . 162 LEU HD21 . 15942 1 833 . 1 1 75 75 LEU HD22 H 1 0.669 0.003 . 1 . . . . 162 LEU HD22 . 15942 1 834 . 1 1 75 75 LEU HD23 H 1 0.669 0.003 . 1 . . . . 162 LEU HD23 . 15942 1 835 . 1 1 75 75 LEU HG H 1 1.502 0.007 . 1 . . . . 162 LEU HG . 15942 1 836 . 1 1 75 75 LEU CA C 13 54.650 0.038 . 1 . . . . 162 LEU CA . 15942 1 837 . 1 1 75 75 LEU CB C 13 42.720 0.022 . 1 . . . . 162 LEU CB . 15942 1 838 . 1 1 75 75 LEU CD1 C 13 24.877 0.093 . 1 . . . . 162 LEU CD1 . 15942 1 839 . 1 1 75 75 LEU CD2 C 13 23.944 0.041 . 1 . . . . 162 LEU CD2 . 15942 1 840 . 1 1 75 75 LEU CG C 13 27.244 0.045 . 1 . . . . 162 LEU CG . 15942 1 841 . 1 1 75 75 LEU N N 15 120.579 0.013 . 1 . . . . 162 LEU N . 15942 1 842 . 1 1 76 76 LEU H H 1 8.721 0.002 . 1 . . . . 163 LEU H . 15942 1 843 . 1 1 76 76 LEU HA H 1 4.546 0.011 . 1 . . . . 163 LEU HA . 15942 1 844 . 1 1 76 76 LEU HB2 H 1 1.292 0.007 . 1 . . . . 163 LEU HB2 . 15942 1 845 . 1 1 76 76 LEU HB3 H 1 1.700 0.004 . 1 . . . . 163 LEU HB3 . 15942 1 846 . 1 1 76 76 LEU HD11 H 1 0.801 0.007 . 1 . . . . 163 LEU HD11 . 15942 1 847 . 1 1 76 76 LEU HD12 H 1 0.801 0.007 . 1 . . . . 163 LEU HD12 . 15942 1 848 . 1 1 76 76 LEU HD13 H 1 0.801 0.007 . 1 . . . . 163 LEU HD13 . 15942 1 849 . 1 1 76 76 LEU HD21 H 1 0.836 0.008 . 1 . . . . 163 LEU HD21 . 15942 1 850 . 1 1 76 76 LEU HD22 H 1 0.836 0.008 . 1 . . . . 163 LEU HD22 . 15942 1 851 . 1 1 76 76 LEU HD23 H 1 0.836 0.008 . 1 . . . . 163 LEU HD23 . 15942 1 852 . 1 1 76 76 LEU HG H 1 1.448 0.008 . 1 . . . . 163 LEU HG . 15942 1 853 . 1 1 76 76 LEU CA C 13 54.577 0.155 . 1 . . . . 163 LEU CA . 15942 1 854 . 1 1 76 76 LEU CB C 13 43.847 0.012 . 1 . . . . 163 LEU CB . 15942 1 855 . 1 1 76 76 LEU CD1 C 13 24.834 0.076 . 1 . . . . 163 LEU CD1 . 15942 1 856 . 1 1 76 76 LEU CD2 C 13 24.160 0.011 . 1 . . . . 163 LEU CD2 . 15942 1 857 . 1 1 76 76 LEU CG C 13 27.407 0.079 . 1 . . . . 163 LEU CG . 15942 1 858 . 1 1 76 76 LEU N N 15 126.461 0.015 . 1 . . . . 163 LEU N . 15942 1 859 . 1 1 77 77 ASN H H 1 9.387 0.003 . 1 . . . . 164 ASN H . 15942 1 860 . 1 1 77 77 ASN HA H 1 4.132 0.003 . 1 . . . . 164 ASN HA . 15942 1 861 . 1 1 77 77 ASN HB2 H 1 2.656 0.003 . 1 . . . . 164 ASN HB2 . 15942 1 862 . 1 1 77 77 ASN HB3 H 1 2.956 0.005 . 1 . . . . 164 ASN HB3 . 15942 1 863 . 1 1 77 77 ASN HD21 H 1 7.548 0.005 . 1 . . . . 164 ASN HD21 . 15942 1 864 . 1 1 77 77 ASN HD22 H 1 6.632 0.004 . 1 . . . . 164 ASN HD22 . 15942 1 865 . 1 1 77 77 ASN CA C 13 54.985 0.020 . 1 . . . . 164 ASN CA . 15942 1 866 . 1 1 77 77 ASN CB C 13 36.321 0.021 . 1 . . . . 164 ASN CB . 15942 1 867 . 1 1 77 77 ASN N N 15 126.844 0.019 . 1 . . . . 164 ASN N . 15942 1 868 . 1 1 77 77 ASN ND2 N 15 110.724 0.016 . 1 . . . . 164 ASN ND2 . 15942 1 869 . 1 1 78 78 ASP H H 1 8.507 0.004 . 1 . . . . 165 ASP H . 15942 1 870 . 1 1 78 78 ASP HA H 1 4.199 0.002 . 1 . . . . 165 ASP HA . 15942 1 871 . 1 1 78 78 ASP HB2 H 1 2.767 0.006 . 1 . . . . 165 ASP HB2 . 15942 1 872 . 1 1 78 78 ASP HB3 H 1 2.876 0.002 . 1 . . . . 165 ASP HB3 . 15942 1 873 . 1 1 78 78 ASP CA C 13 56.171 0.033 . 1 . . . . 165 ASP CA . 15942 1 874 . 1 1 78 78 ASP CB C 13 40.301 0.034 . 1 . . . . 165 ASP CB . 15942 1 875 . 1 1 78 78 ASP N N 15 110.436 0.006 . 1 . . . . 165 ASP N . 15942 1 876 . 1 1 79 79 ARG H H 1 7.555 0.002 . 1 . . . . 166 ARG H . 15942 1 877 . 1 1 79 79 ARG HA H 1 4.570 0.004 . 1 . . . . 166 ARG HA . 15942 1 878 . 1 1 79 79 ARG HB2 H 1 1.876 0.004 . 1 . . . . 166 ARG HB2 . 15942 1 879 . 1 1 79 79 ARG HB3 H 1 1.768 0.005 . 1 . . . . 166 ARG HB3 . 15942 1 880 . 1 1 79 79 ARG HD2 H 1 3.073 0.008 . 1 . . . . 166 ARG HD2 . 15942 1 881 . 1 1 79 79 ARG HD3 H 1 3.043 0.008 . 1 . . . . 166 ARG HD3 . 15942 1 882 . 1 1 79 79 ARG HG2 H 1 1.626 0.006 . 1 . . . . 166 ARG HG2 . 15942 1 883 . 1 1 79 79 ARG HG3 H 1 1.626 0.006 . 1 . . . . 166 ARG HG3 . 15942 1 884 . 1 1 79 79 ARG CA C 13 54.775 0.030 . 1 . . . . 166 ARG CA . 15942 1 885 . 1 1 79 79 ARG CB C 13 33.124 0.034 . 1 . . . . 166 ARG CB . 15942 1 886 . 1 1 79 79 ARG CD C 13 43.395 0.028 . 1 . . . . 166 ARG CD . 15942 1 887 . 1 1 79 79 ARG CG C 13 27.222 0.017 . 1 . . . . 166 ARG CG . 15942 1 888 . 1 1 79 79 ARG N N 15 119.021 0.014 . 1 . . . . 166 ARG N . 15942 1 889 . 1 1 80 80 LYS H H 1 8.580 0.007 . 1 . . . . 167 LYS H . 15942 1 890 . 1 1 80 80 LYS HA H 1 4.418 0.002 . 1 . . . . 167 LYS HA . 15942 1 891 . 1 1 80 80 LYS HB2 H 1 1.556 0.005 . 1 . . . . 167 LYS HB2 . 15942 1 892 . 1 1 80 80 LYS HB3 H 1 1.556 0.005 . 1 . . . . 167 LYS HB3 . 15942 1 893 . 1 1 80 80 LYS HD2 H 1 1.646 0.004 . 1 . . . . 167 LYS HD2 . 15942 1 894 . 1 1 80 80 LYS HD3 H 1 1.646 0.004 . 1 . . . . 167 LYS HD3 . 15942 1 895 . 1 1 80 80 LYS HE2 H 1 2.971 0.005 . 1 . . . . 167 LYS HE2 . 15942 1 896 . 1 1 80 80 LYS HE3 H 1 2.971 0.005 . 1 . . . . 167 LYS HE3 . 15942 1 897 . 1 1 80 80 LYS HG2 H 1 1.247 0.004 . 1 . . . . 167 LYS HG2 . 15942 1 898 . 1 1 80 80 LYS HG3 H 1 1.070 0.004 . 1 . . . . 167 LYS HG3 . 15942 1 899 . 1 1 80 80 LYS CA C 13 56.509 0.020 . 1 . . . . 167 LYS CA . 15942 1 900 . 1 1 80 80 LYS CB C 13 32.632 0.010 . 1 . . . . 167 LYS CB . 15942 1 901 . 1 1 80 80 LYS CD C 13 29.600 0.047 . 1 . . . . 167 LYS CD . 15942 1 902 . 1 1 80 80 LYS CE C 13 41.915 0.042 . 1 . . . . 167 LYS CE . 15942 1 903 . 1 1 80 80 LYS CG C 13 24.895 0.066 . 1 . . . . 167 LYS CG . 15942 1 904 . 1 1 80 80 LYS N N 15 125.003 0.026 . 1 . . . . 167 LYS N . 15942 1 905 . 1 1 81 81 VAL H H 1 8.615 0.005 . 1 . . . . 168 VAL H . 15942 1 906 . 1 1 81 81 VAL HA H 1 4.693 0.006 . 1 . . . . 168 VAL HA . 15942 1 907 . 1 1 81 81 VAL HB H 1 2.125 0.002 . 1 . . . . 168 VAL HB . 15942 1 908 . 1 1 81 81 VAL HG11 H 1 0.953 0.005 . 1 . . . . 168 VAL HG11 . 15942 1 909 . 1 1 81 81 VAL HG12 H 1 0.953 0.005 . 1 . . . . 168 VAL HG12 . 15942 1 910 . 1 1 81 81 VAL HG13 H 1 0.953 0.005 . 1 . . . . 168 VAL HG13 . 15942 1 911 . 1 1 81 81 VAL HG21 H 1 0.968 0.006 . 1 . . . . 168 VAL HG21 . 15942 1 912 . 1 1 81 81 VAL HG22 H 1 0.968 0.006 . 1 . . . . 168 VAL HG22 . 15942 1 913 . 1 1 81 81 VAL HG23 H 1 0.968 0.006 . 1 . . . . 168 VAL HG23 . 15942 1 914 . 1 1 81 81 VAL CA C 13 60.794 0.026 . 1 . . . . 168 VAL CA . 15942 1 915 . 1 1 81 81 VAL CB C 13 33.714 0.018 . 1 . . . . 168 VAL CB . 15942 1 916 . 1 1 81 81 VAL CG1 C 13 22.989 0.019 . 1 . . . . 168 VAL CG1 . 15942 1 917 . 1 1 81 81 VAL CG2 C 13 19.755 0.020 . 1 . . . . 168 VAL CG2 . 15942 1 918 . 1 1 81 81 VAL N N 15 123.333 0.008 . 1 . . . . 168 VAL N . 15942 1 919 . 1 1 82 82 PHE H H 1 8.015 0.003 . 1 . . . . 169 PHE H . 15942 1 920 . 1 1 82 82 PHE HA H 1 5.201 0.005 . 1 . . . . 169 PHE HA . 15942 1 921 . 1 1 82 82 PHE HB2 H 1 2.994 0.005 . 1 . . . . 169 PHE HB2 . 15942 1 922 . 1 1 82 82 PHE HB3 H 1 2.897 0.018 . 1 . . . . 169 PHE HB3 . 15942 1 923 . 1 1 82 82 PHE HD1 H 1 7.168 0.002 . 3 . . . . 169 PHE HD1 . 15942 1 924 . 1 1 82 82 PHE HD2 H 1 7.168 0.002 . 3 . . . . 169 PHE HD2 . 15942 1 925 . 1 1 82 82 PHE HE1 H 1 7.286 0.007 . 3 . . . . 169 PHE HE1 . 15942 1 926 . 1 1 82 82 PHE HE2 H 1 7.286 0.007 . 3 . . . . 169 PHE HE2 . 15942 1 927 . 1 1 82 82 PHE HZ H 1 7.324 0.009 . 1 . . . . 169 PHE HZ . 15942 1 928 . 1 1 82 82 PHE CA C 13 55.740 0.013 . 1 . . . . 169 PHE CA . 15942 1 929 . 1 1 82 82 PHE CB C 13 41.195 0.025 . 1 . . . . 169 PHE CB . 15942 1 930 . 1 1 82 82 PHE CD1 C 13 131.976 0.122 . 3 . . . . 169 PHE CD1 . 15942 1 931 . 1 1 82 82 PHE CD2 C 13 131.976 0.122 . 3 . . . . 169 PHE CD2 . 15942 1 932 . 1 1 82 82 PHE CE1 C 13 131.607 0.161 . 3 . . . . 169 PHE CE1 . 15942 1 933 . 1 1 82 82 PHE CE2 C 13 131.607 0.161 . 3 . . . . 169 PHE CE2 . 15942 1 934 . 1 1 82 82 PHE CZ C 13 129.718 0.003 . 1 . . . . 169 PHE CZ . 15942 1 935 . 1 1 82 82 PHE N N 15 123.167 0.008 . 1 . . . . 169 PHE N . 15942 1 936 . 1 1 83 83 VAL H H 1 8.194 0.003 . 1 . . . . 170 VAL H . 15942 1 937 . 1 1 83 83 VAL HA H 1 4.726 0.007 . 1 . . . . 170 VAL HA . 15942 1 938 . 1 1 83 83 VAL HB H 1 1.572 0.005 . 1 . . . . 170 VAL HB . 15942 1 939 . 1 1 83 83 VAL HG11 H 1 0.776 0.006 . 1 . . . . 170 VAL HG11 . 15942 1 940 . 1 1 83 83 VAL HG12 H 1 0.776 0.006 . 1 . . . . 170 VAL HG12 . 15942 1 941 . 1 1 83 83 VAL HG13 H 1 0.776 0.006 . 1 . . . . 170 VAL HG13 . 15942 1 942 . 1 1 83 83 VAL HG21 H 1 0.874 0.005 . 1 . . . . 170 VAL HG21 . 15942 1 943 . 1 1 83 83 VAL HG22 H 1 0.874 0.005 . 1 . . . . 170 VAL HG22 . 15942 1 944 . 1 1 83 83 VAL HG23 H 1 0.874 0.005 . 1 . . . . 170 VAL HG23 . 15942 1 945 . 1 1 83 83 VAL CA C 13 60.221 0.034 . 1 . . . . 170 VAL CA . 15942 1 946 . 1 1 83 83 VAL CB C 13 34.599 0.025 . 1 . . . . 170 VAL CB . 15942 1 947 . 1 1 83 83 VAL CG1 C 13 23.476 0.069 . 1 . . . . 170 VAL CG1 . 15942 1 948 . 1 1 83 83 VAL CG2 C 13 22.183 0.065 . 1 . . . . 170 VAL CG2 . 15942 1 949 . 1 1 83 83 VAL N N 15 126.188 0.009 . 1 . . . . 170 VAL N . 15942 1 950 . 1 1 84 84 GLY H H 1 7.961 0.005 . 1 . . . . 171 GLY H . 15942 1 951 . 1 1 84 84 GLY HA2 H 1 4.167 0.004 . 1 . . . . 171 GLY HA2 . 15942 1 952 . 1 1 84 84 GLY HA3 H 1 3.554 0.006 . 1 . . . . 171 GLY HA3 . 15942 1 953 . 1 1 84 84 GLY CA C 13 44.883 0.045 . 1 . . . . 171 GLY CA . 15942 1 954 . 1 1 84 84 GLY N N 15 111.238 0.017 . 1 . . . . 171 GLY N . 15942 1 955 . 1 1 85 85 ARG H H 1 8.529 0.002 . 1 . . . . 172 ARG H . 15942 1 956 . 1 1 85 85 ARG HA H 1 4.586 0.005 . 1 . . . . 172 ARG HA . 15942 1 957 . 1 1 85 85 ARG HB2 H 1 1.748 0.003 . 1 . . . . 172 ARG HB2 . 15942 1 958 . 1 1 85 85 ARG HB3 H 1 1.876 0.004 . 1 . . . . 172 ARG HB3 . 15942 1 959 . 1 1 85 85 ARG HD2 H 1 3.185 0.011 . 1 . . . . 172 ARG HD2 . 15942 1 960 . 1 1 85 85 ARG HD3 H 1 3.172 0.008 . 1 . . . . 172 ARG HD3 . 15942 1 961 . 1 1 85 85 ARG HG2 H 1 1.618 0.007 . 1 . . . . 172 ARG HG2 . 15942 1 962 . 1 1 85 85 ARG HG3 H 1 1.671 0.007 . 1 . . . . 172 ARG HG3 . 15942 1 963 . 1 1 85 85 ARG CA C 13 55.789 0.027 . 1 . . . . 172 ARG CA . 15942 1 964 . 1 1 85 85 ARG CB C 13 31.428 0.028 . 1 . . . . 172 ARG CB . 15942 1 965 . 1 1 85 85 ARG CD C 13 43.281 0.010 . 1 . . . . 172 ARG CD . 15942 1 966 . 1 1 85 85 ARG CG C 13 27.841 0.035 . 1 . . . . 172 ARG CG . 15942 1 967 . 1 1 85 85 ARG N N 15 118.659 0.041 . 1 . . . . 172 ARG N . 15942 1 968 . 1 1 86 86 PHE H H 1 8.364 0.011 . 1 . . . . 173 PHE H . 15942 1 969 . 1 1 86 86 PHE HA H 1 4.606 0.007 . 1 . . . . 173 PHE HA . 15942 1 970 . 1 1 86 86 PHE HB2 H 1 2.929 0.007 . 1 . . . . 173 PHE HB2 . 15942 1 971 . 1 1 86 86 PHE HB3 H 1 2.891 0.010 . 1 . . . . 173 PHE HB3 . 15942 1 972 . 1 1 86 86 PHE HD1 H 1 6.991 0.005 . 3 . . . . 173 PHE HD1 . 15942 1 973 . 1 1 86 86 PHE HD2 H 1 6.991 0.005 . 3 . . . . 173 PHE HD2 . 15942 1 974 . 1 1 86 86 PHE HE1 H 1 7.089 0.014 . 3 . . . . 173 PHE HE1 . 15942 1 975 . 1 1 86 86 PHE HE2 H 1 7.089 0.014 . 3 . . . . 173 PHE HE2 . 15942 1 976 . 1 1 86 86 PHE CA C 13 57.835 0.019 . 1 . . . . 173 PHE CA . 15942 1 977 . 1 1 86 86 PHE CB C 13 40.396 0.036 . 1 . . . . 173 PHE CB . 15942 1 978 . 1 1 86 86 PHE CD1 C 13 132.097 0.078 . 3 . . . . 173 PHE CD1 . 15942 1 979 . 1 1 86 86 PHE CD2 C 13 132.097 0.078 . 3 . . . . 173 PHE CD2 . 15942 1 980 . 1 1 86 86 PHE CE1 C 13 129.677 0.113 . 3 . . . . 173 PHE CE1 . 15942 1 981 . 1 1 86 86 PHE CE2 C 13 129.677 0.113 . 3 . . . . 173 PHE CE2 . 15942 1 982 . 1 1 86 86 PHE N N 15 122.170 0.030 . 1 . . . . 173 PHE N . 15942 1 983 . 1 1 87 87 LYS H H 1 8.147 0.000 . 1 . . . . 174 LYS H . 15942 1 984 . 1 1 87 87 LYS HA H 1 4.182 0.006 . 1 . . . . 174 LYS HA . 15942 1 985 . 1 1 87 87 LYS HB2 H 1 1.527 0.004 . 1 . . . . 174 LYS HB2 . 15942 1 986 . 1 1 87 87 LYS HB3 H 1 1.644 0.004 . 1 . . . . 174 LYS HB3 . 15942 1 987 . 1 1 87 87 LYS HD2 H 1 1.566 0.007 . 1 . . . . 174 LYS HD2 . 15942 1 988 . 1 1 87 87 LYS HD3 H 1 1.566 0.007 . 1 . . . . 174 LYS HD3 . 15942 1 989 . 1 1 87 87 LYS HE2 H 1 2.898 0.007 . 1 . . . . 174 LYS HE2 . 15942 1 990 . 1 1 87 87 LYS HE3 H 1 2.898 0.007 . 1 . . . . 174 LYS HE3 . 15942 1 991 . 1 1 87 87 LYS HG2 H 1 1.260 0.004 . 1 . . . . 174 LYS HG2 . 15942 1 992 . 1 1 87 87 LYS HG3 H 1 1.260 0.004 . 1 . . . . 174 LYS HG3 . 15942 1 993 . 1 1 87 87 LYS CA C 13 56.058 0.077 . 1 . . . . 174 LYS CA . 15942 1 994 . 1 1 87 87 LYS CB C 13 33.518 0.014 . 1 . . . . 174 LYS CB . 15942 1 995 . 1 1 87 87 LYS CD C 13 29.219 0.010 . 1 . . . . 174 LYS CD . 15942 1 996 . 1 1 87 87 LYS CE C 13 42.177 0.062 . 1 . . . . 174 LYS CE . 15942 1 997 . 1 1 87 87 LYS CG C 13 24.546 0.145 . 1 . . . . 174 LYS CG . 15942 1 998 . 1 1 87 87 LYS N N 15 125.164 0.000 . 1 . . . . 174 LYS N . 15942 1 999 . 1 1 88 88 SER H H 1 8.124 0.000 . 1 . . . . 175 SER H . 15942 1 1000 . 1 1 88 88 SER HA H 1 4.260 0.006 . 1 . . . . 175 SER HA . 15942 1 1001 . 1 1 88 88 SER HB2 H 1 3.839 0.003 . 1 . . . . 175 SER HB2 . 15942 1 1002 . 1 1 88 88 SER HB3 H 1 3.758 0.004 . 1 . . . . 175 SER HB3 . 15942 1 1003 . 1 1 88 88 SER CA C 13 58.099 0.024 . 1 . . . . 175 SER CA . 15942 1 1004 . 1 1 88 88 SER CB C 13 64.140 0.044 . 1 . . . . 175 SER CB . 15942 1 1005 . 1 1 88 88 SER N N 15 117.424 0.000 . 1 . . . . 175 SER N . 15942 1 1006 . 1 1 89 89 ARG H H 1 8.371 0.014 . 1 . . . . 176 ARG H . 15942 1 1007 . 1 1 89 89 ARG HA H 1 4.186 0.009 . 1 . . . . 176 ARG HA . 15942 1 1008 . 1 1 89 89 ARG HB2 H 1 1.707 0.004 . 1 . . . . 176 ARG HB2 . 15942 1 1009 . 1 1 89 89 ARG HB3 H 1 1.791 0.005 . 1 . . . . 176 ARG HB3 . 15942 1 1010 . 1 1 89 89 ARG HD2 H 1 3.114 0.002 . 1 . . . . 176 ARG HD2 . 15942 1 1011 . 1 1 89 89 ARG HD3 H 1 3.114 0.002 . 1 . . . . 176 ARG HD3 . 15942 1 1012 . 1 1 89 89 ARG HG2 H 1 1.537 0.007 . 1 . . . . 176 ARG HG2 . 15942 1 1013 . 1 1 89 89 ARG HG3 H 1 1.537 0.007 . 1 . . . . 176 ARG HG3 . 15942 1 1014 . 1 1 89 89 ARG CA C 13 56.597 0.122 . 1 . . . . 176 ARG CA . 15942 1 1015 . 1 1 89 89 ARG CB C 13 30.682 0.044 . 1 . . . . 176 ARG CB . 15942 1 1016 . 1 1 89 89 ARG CD C 13 43.330 0.022 . 1 . . . . 176 ARG CD . 15942 1 1017 . 1 1 89 89 ARG CG C 13 27.125 0.021 . 1 . . . . 176 ARG CG . 15942 1 1018 . 1 1 89 89 ARG N N 15 123.044 0.044 . 1 . . . . 176 ARG N . 15942 1 1019 . 1 1 90 90 LYS H H 1 8.264 0.009 . 1 . . . . 177 LYS H . 15942 1 1020 . 1 1 90 90 LYS HA H 1 4.179 0.003 . 1 . . . . 177 LYS HA . 15942 1 1021 . 1 1 90 90 LYS HB2 H 1 1.674 0.007 . 1 . . . . 177 LYS HB2 . 15942 1 1022 . 1 1 90 90 LYS HB3 H 1 1.751 0.008 . 1 . . . . 177 LYS HB3 . 15942 1 1023 . 1 1 90 90 LYS HD2 H 1 1.614 0.008 . 1 . . . . 177 LYS HD2 . 15942 1 1024 . 1 1 90 90 LYS HD3 H 1 1.614 0.008 . 1 . . . . 177 LYS HD3 . 15942 1 1025 . 1 1 90 90 LYS HE2 H 1 2.921 0.003 . 1 . . . . 177 LYS HE2 . 15942 1 1026 . 1 1 90 90 LYS HE3 H 1 2.921 0.003 . 1 . . . . 177 LYS HE3 . 15942 1 1027 . 1 1 90 90 LYS HG2 H 1 1.345 0.005 . 1 . . . . 177 LYS HG2 . 15942 1 1028 . 1 1 90 90 LYS HG3 H 1 1.345 0.005 . 1 . . . . 177 LYS HG3 . 15942 1 1029 . 1 1 90 90 LYS CA C 13 56.715 0.037 . 1 . . . . 177 LYS CA . 15942 1 1030 . 1 1 90 90 LYS CB C 13 32.859 0.050 . 1 . . . . 177 LYS CB . 15942 1 1031 . 1 1 90 90 LYS CD C 13 28.994 0.091 . 1 . . . . 177 LYS CD . 15942 1 1032 . 1 1 90 90 LYS CE C 13 42.139 0.026 . 1 . . . . 177 LYS CE . 15942 1 1033 . 1 1 90 90 LYS CG C 13 24.748 0.076 . 1 . . . . 177 LYS CG . 15942 1 1034 . 1 1 90 90 LYS N N 15 121.521 0.084 . 1 . . . . 177 LYS N . 15942 1 1035 . 1 1 91 91 GLU H H 1 8.254 0.010 . 1 . . . . 178 GLU H . 15942 1 1036 . 1 1 91 91 GLU HA H 1 4.150 0.007 . 1 . . . . 178 GLU HA . 15942 1 1037 . 1 1 91 91 GLU HB2 H 1 1.893 0.002 . 1 . . . . 178 GLU HB2 . 15942 1 1038 . 1 1 91 91 GLU HB3 H 1 1.989 0.011 . 1 . . . . 178 GLU HB3 . 15942 1 1039 . 1 1 91 91 GLU HG2 H 1 2.199 0.005 . 1 . . . . 178 GLU HG2 . 15942 1 1040 . 1 1 91 91 GLU HG3 H 1 2.199 0.005 . 1 . . . . 178 GLU HG3 . 15942 1 1041 . 1 1 91 91 GLU CA C 13 57.111 0.027 . 1 . . . . 178 GLU CA . 15942 1 1042 . 1 1 91 91 GLU CB C 13 30.189 0.024 . 1 . . . . 178 GLU CB . 15942 1 1043 . 1 1 91 91 GLU CG C 13 36.406 0.019 . 1 . . . . 178 GLU CG . 15942 1 1044 . 1 1 91 91 GLU N N 15 121.483 0.135 . 1 . . . . 178 GLU N . 15942 1 1045 . 1 1 92 92 ARG H H 1 8.150 0.006 . 1 . . . . 179 ARG H . 15942 1 1046 . 1 1 92 92 ARG HA H 1 4.195 0.003 . 1 . . . . 179 ARG HA . 15942 1 1047 . 1 1 92 92 ARG HB2 H 1 1.708 0.002 . 1 . . . . 179 ARG HB2 . 15942 1 1048 . 1 1 92 92 ARG HB3 H 1 1.794 0.003 . 1 . . . . 179 ARG HB3 . 15942 1 1049 . 1 1 92 92 ARG HD2 H 1 3.112 0.005 . 1 . . . . 179 ARG HD2 . 15942 1 1050 . 1 1 92 92 ARG HD3 H 1 3.113 0.005 . 1 . . . . 179 ARG HD3 . 15942 1 1051 . 1 1 92 92 ARG HG2 H 1 1.537 0.000 . 1 . . . . 179 ARG HG2 . 15942 1 1052 . 1 1 92 92 ARG HG3 H 1 1.537 0.000 . 1 . . . . 179 ARG HG3 . 15942 1 1053 . 1 1 92 92 ARG CA C 13 56.425 0.024 . 1 . . . . 179 ARG CA . 15942 1 1054 . 1 1 92 92 ARG CB C 13 30.657 0.043 . 1 . . . . 179 ARG CB . 15942 1 1055 . 1 1 92 92 ARG CD C 13 43.330 0.020 . 1 . . . . 179 ARG CD . 15942 1 1056 . 1 1 92 92 ARG CG C 13 27.316 0.000 . 1 . . . . 179 ARG CG . 15942 1 1057 . 1 1 92 92 ARG N N 15 120.054 0.009 . 1 . . . . 179 ARG N . 15942 1 1058 . 1 1 93 93 GLU H H 1 8.270 0.008 . 1 . . . . 180 GLU H . 15942 1 1059 . 1 1 93 93 GLU HA H 1 4.177 0.007 . 1 . . . . 180 GLU HA . 15942 1 1060 . 1 1 93 93 GLU HB2 H 1 1.890 0.005 . 1 . . . . 180 GLU HB2 . 15942 1 1061 . 1 1 93 93 GLU HB3 H 1 2.013 0.008 . 1 . . . . 180 GLU HB3 . 15942 1 1062 . 1 1 93 93 GLU HG2 H 1 2.203 0.005 . 2 . . . . 180 GLU HG2 . 15942 1 1063 . 1 1 93 93 GLU HG3 H 1 2.203 0.005 . 2 . . . . 180 GLU HG3 . 15942 1 1064 . 1 1 93 93 GLU CA C 13 56.694 0.052 . 1 . . . . 180 GLU CA . 15942 1 1065 . 1 1 93 93 GLU CB C 13 30.169 0.031 . 1 . . . . 180 GLU CB . 15942 1 1066 . 1 1 93 93 GLU CG C 13 36.429 0.026 . 1 . . . . 180 GLU CG . 15942 1 1067 . 1 1 93 93 GLU N N 15 121.301 0.075 . 1 . . . . 180 GLU N . 15942 1 1068 . 1 1 94 94 ALA H H 1 8.050 0.008 . 1 . . . . 181 ALA H . 15942 1 1069 . 1 1 94 94 ALA HA H 1 4.266 0.006 . 1 . . . . 181 ALA HA . 15942 1 1070 . 1 1 94 94 ALA HB1 H 1 1.331 0.008 . 1 . . . . 181 ALA HB1 . 15942 1 1071 . 1 1 94 94 ALA HB2 H 1 1.331 0.008 . 1 . . . . 181 ALA HB2 . 15942 1 1072 . 1 1 94 94 ALA HB3 H 1 1.331 0.008 . 1 . . . . 181 ALA HB3 . 15942 1 1073 . 1 1 94 94 ALA CA C 13 52.385 0.018 . 1 . . . . 181 ALA CA . 15942 1 1074 . 1 1 94 94 ALA CB C 13 19.478 0.016 . 1 . . . . 181 ALA CB . 15942 1 1075 . 1 1 94 94 ALA N N 15 124.255 0.056 . 1 . . . . 181 ALA N . 15942 1 1076 . 1 1 95 95 GLU H H 1 7.785 0.011 . 1 . . . . 182 GLU H . 15942 1 1077 . 1 1 95 95 GLU HA H 1 4.029 0.007 . 1 . . . . 182 GLU HA . 15942 1 1078 . 1 1 95 95 GLU HB2 H 1 1.841 0.006 . 1 . . . . 182 GLU HB2 . 15942 1 1079 . 1 1 95 95 GLU HB3 H 1 1.985 0.006 . 1 . . . . 182 GLU HB3 . 15942 1 1080 . 1 1 95 95 GLU HG2 H 1 2.159 0.006 . 1 . . . . 182 GLU HG2 . 15942 1 1081 . 1 1 95 95 GLU HG3 H 1 2.159 0.006 . 1 . . . . 182 GLU HG3 . 15942 1 1082 . 1 1 95 95 GLU CA C 13 58.088 0.028 . 1 . . . . 182 GLU CA . 15942 1 1083 . 1 1 95 95 GLU CB C 13 31.168 0.058 . 1 . . . . 182 GLU CB . 15942 1 1084 . 1 1 95 95 GLU CG C 13 36.793 0.036 . 1 . . . . 182 GLU CG . 15942 1 1085 . 1 1 95 95 GLU N N 15 125.178 0.037 . 1 . . . . 182 GLU N . 15942 1 stop_ save_