data_17451 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17451 _Entry.Title ; Central domain of RSV M2-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-09 _Entry.Accession_date 2011-02-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Virginie Dubosclard . . . 17451 2 Marie-Lise Blondot . . . 17451 3 Jean-Francois Eleouet . . . 17451 4 Francois Bontems . . . 17451 5 Christina Sizun . . . 17451 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17451 RDCs 2 17451 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 533 17451 '15N chemical shifts' 129 17451 '1H chemical shifts' 889 17451 'residual dipolar couplings' 100 17451 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-09 2011-02-09 update BMRB 'update entry citation' 17451 1 . . 2011-05-03 2011-02-09 original author 'original release' 17451 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L9J 'BMRB Entry Tracking System' 17451 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17451 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21523439 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N resonance assignment of the central domain of hRSV transcription antitermination factor M2-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 237 _Citation.Page_last 239 _Citation.Year 2011 _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 Virginie Dubosclard . . . 17451 1 2 Marie-Lise Blondot . . . 17451 1 3 Jean-Francois Eleouet . . . 17451 1 4 Francois Bontems . . . 17451 1 5 Christina Sizun . . . 17451 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17451 _Assembly.ID 1 _Assembly.Name M2-1 _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 M2-1 1 $M2-1 A . yes native no no . . . 17451 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M2-1 _Entity.Sf_category entity _Entity.Sf_framecode M2-1 _Entity.Entry_ID 17451 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name M2-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSEISGAAELDRTEEYALGV VGVLESYIGSINNITKQSAC VAMSKLLTELNSDDIKKLRD NEEPNSPKIRVYNTVISYIE SNRKNNKQTIHLLKRLPADV LKKTIKNTLDIHKSITINNP K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The two first residues GS are left after cleavage of the N-terminal GST tag. The M2-1 sequence starts at Glu59 and ends with Lys177.' _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L9J . "Hrsv M2-1 Core Domain Structure" . . . . . 100.00 121 100.00 100.00 3.58e-79 . . . . 17451 1 2 no PDB 4C3B . "Hrsv M2-1, P21 Crystal Form" . . . . . 99.17 199 99.17 99.17 2.55e-75 . . . . 17451 1 3 no PDB 4C3D . "Hrsv M2-1, P422 Crystal Form" . . . . . 99.17 199 99.17 99.17 2.55e-75 . . . . 17451 1 4 no PDB 4C3E . "Hrsv M2-1 Mutant S58d S61d, P21 Crystal" . . . . . 98.35 199 98.32 98.32 5.98e-74 . . . . 17451 1 5 no DBJ BAA00106 . "22K protein [Human respiratory syncytial virus]" . . . . . 99.17 194 99.17 99.17 3.09e-76 . . . . 17451 1 6 no GB AAB59860 . "envelope-associated protein [Human respiratory syncytial virus]" . . . . . 99.17 194 99.17 99.17 1.30e-75 . . . . 17451 1 7 no GB AAB86665 . "matrix protein M2 [Human respiratory syncytial virus]" . . . . . 99.17 194 99.17 99.17 1.30e-75 . . . . 17451 1 8 no GB AAB86677 . "matrix protein M2 [Human respiratory syncytial virus]" . . . . . 99.17 194 99.17 99.17 1.30e-75 . . . . 17451 1 9 no GB AAC14903 . "matrix protein M2 [Human respiratory syncytial virus]" . . . . . 99.17 194 99.17 99.17 1.30e-75 . . . . 17451 1 10 no GB AAC55971 . "matrix protein M2 [Human respiratory syncytial virus]" . . . . . 99.17 194 99.17 99.17 1.30e-75 . . . . 17451 1 11 no REF NP_044597 . "matrix (M2/22K) [Respiratory syncytial virus]" . . . . . 99.17 194 99.17 99.17 3.09e-76 . . . . 17451 1 12 no SP P04545 . "RecName: Full=Matrix M2-1; AltName: Full=Envelope-associated 22 kDa protein" . . . . . 99.17 194 99.17 99.17 1.30e-75 . . . . 17451 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 17451 1 2 . SER . 17451 1 3 59 GLU . 17451 1 4 60 ILE . 17451 1 5 61 SER . 17451 1 6 62 GLY . 17451 1 7 63 ALA . 17451 1 8 64 ALA . 17451 1 9 65 GLU . 17451 1 10 66 LEU . 17451 1 11 67 ASP . 17451 1 12 68 ARG . 17451 1 13 69 THR . 17451 1 14 70 GLU . 17451 1 15 71 GLU . 17451 1 16 72 TYR . 17451 1 17 73 ALA . 17451 1 18 74 LEU . 17451 1 19 75 GLY . 17451 1 20 76 VAL . 17451 1 21 77 VAL . 17451 1 22 78 GLY . 17451 1 23 79 VAL . 17451 1 24 80 LEU . 17451 1 25 81 GLU . 17451 1 26 82 SER . 17451 1 27 83 TYR . 17451 1 28 84 ILE . 17451 1 29 85 GLY . 17451 1 30 86 SER . 17451 1 31 87 ILE . 17451 1 32 88 ASN . 17451 1 33 89 ASN . 17451 1 34 90 ILE . 17451 1 35 91 THR . 17451 1 36 92 LYS . 17451 1 37 93 GLN . 17451 1 38 94 SER . 17451 1 39 95 ALA . 17451 1 40 96 CYS . 17451 1 41 97 VAL . 17451 1 42 98 ALA . 17451 1 43 99 MET . 17451 1 44 100 SER . 17451 1 45 101 LYS . 17451 1 46 102 LEU . 17451 1 47 103 LEU . 17451 1 48 104 THR . 17451 1 49 105 GLU . 17451 1 50 106 LEU . 17451 1 51 107 ASN . 17451 1 52 108 SER . 17451 1 53 109 ASP . 17451 1 54 110 ASP . 17451 1 55 111 ILE . 17451 1 56 112 LYS . 17451 1 57 113 LYS . 17451 1 58 114 LEU . 17451 1 59 115 ARG . 17451 1 60 116 ASP . 17451 1 61 117 ASN . 17451 1 62 118 GLU . 17451 1 63 119 GLU . 17451 1 64 120 PRO . 17451 1 65 121 ASN . 17451 1 66 122 SER . 17451 1 67 123 PRO . 17451 1 68 124 LYS . 17451 1 69 125 ILE . 17451 1 70 126 ARG . 17451 1 71 127 VAL . 17451 1 72 128 TYR . 17451 1 73 129 ASN . 17451 1 74 130 THR . 17451 1 75 131 VAL . 17451 1 76 132 ILE . 17451 1 77 133 SER . 17451 1 78 134 TYR . 17451 1 79 135 ILE . 17451 1 80 136 GLU . 17451 1 81 137 SER . 17451 1 82 138 ASN . 17451 1 83 139 ARG . 17451 1 84 140 LYS . 17451 1 85 141 ASN . 17451 1 86 142 ASN . 17451 1 87 143 LYS . 17451 1 88 144 GLN . 17451 1 89 145 THR . 17451 1 90 146 ILE . 17451 1 91 147 HIS . 17451 1 92 148 LEU . 17451 1 93 149 LEU . 17451 1 94 150 LYS . 17451 1 95 151 ARG . 17451 1 96 152 LEU . 17451 1 97 153 PRO . 17451 1 98 154 ALA . 17451 1 99 155 ASP . 17451 1 100 156 VAL . 17451 1 101 157 LEU . 17451 1 102 158 LYS . 17451 1 103 159 LYS . 17451 1 104 160 THR . 17451 1 105 161 ILE . 17451 1 106 162 LYS . 17451 1 107 163 ASN . 17451 1 108 164 THR . 17451 1 109 165 LEU . 17451 1 110 166 ASP . 17451 1 111 167 ILE . 17451 1 112 168 HIS . 17451 1 113 169 LYS . 17451 1 114 170 SER . 17451 1 115 171 ILE . 17451 1 116 172 THR . 17451 1 117 173 ILE . 17451 1 118 174 ASN . 17451 1 119 175 ASN . 17451 1 120 176 PRO . 17451 1 121 177 LYS . 17451 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 17451 1 . SER 2 2 17451 1 . GLU 3 3 17451 1 . ILE 4 4 17451 1 . SER 5 5 17451 1 . GLY 6 6 17451 1 . ALA 7 7 17451 1 . ALA 8 8 17451 1 . GLU 9 9 17451 1 . LEU 10 10 17451 1 . ASP 11 11 17451 1 . ARG 12 12 17451 1 . THR 13 13 17451 1 . GLU 14 14 17451 1 . GLU 15 15 17451 1 . TYR 16 16 17451 1 . ALA 17 17 17451 1 . LEU 18 18 17451 1 . GLY 19 19 17451 1 . VAL 20 20 17451 1 . VAL 21 21 17451 1 . GLY 22 22 17451 1 . VAL 23 23 17451 1 . LEU 24 24 17451 1 . GLU 25 25 17451 1 . SER 26 26 17451 1 . TYR 27 27 17451 1 . ILE 28 28 17451 1 . GLY 29 29 17451 1 . SER 30 30 17451 1 . ILE 31 31 17451 1 . ASN 32 32 17451 1 . ASN 33 33 17451 1 . ILE 34 34 17451 1 . THR 35 35 17451 1 . LYS 36 36 17451 1 . GLN 37 37 17451 1 . SER 38 38 17451 1 . ALA 39 39 17451 1 . CYS 40 40 17451 1 . VAL 41 41 17451 1 . ALA 42 42 17451 1 . MET 43 43 17451 1 . SER 44 44 17451 1 . LYS 45 45 17451 1 . LEU 46 46 17451 1 . LEU 47 47 17451 1 . THR 48 48 17451 1 . GLU 49 49 17451 1 . LEU 50 50 17451 1 . ASN 51 51 17451 1 . SER 52 52 17451 1 . ASP 53 53 17451 1 . ASP 54 54 17451 1 . ILE 55 55 17451 1 . LYS 56 56 17451 1 . LYS 57 57 17451 1 . LEU 58 58 17451 1 . ARG 59 59 17451 1 . ASP 60 60 17451 1 . ASN 61 61 17451 1 . GLU 62 62 17451 1 . GLU 63 63 17451 1 . PRO 64 64 17451 1 . ASN 65 65 17451 1 . SER 66 66 17451 1 . PRO 67 67 17451 1 . LYS 68 68 17451 1 . ILE 69 69 17451 1 . ARG 70 70 17451 1 . VAL 71 71 17451 1 . TYR 72 72 17451 1 . ASN 73 73 17451 1 . THR 74 74 17451 1 . VAL 75 75 17451 1 . ILE 76 76 17451 1 . SER 77 77 17451 1 . TYR 78 78 17451 1 . ILE 79 79 17451 1 . GLU 80 80 17451 1 . SER 81 81 17451 1 . ASN 82 82 17451 1 . ARG 83 83 17451 1 . LYS 84 84 17451 1 . ASN 85 85 17451 1 . ASN 86 86 17451 1 . LYS 87 87 17451 1 . GLN 88 88 17451 1 . THR 89 89 17451 1 . ILE 90 90 17451 1 . HIS 91 91 17451 1 . LEU 92 92 17451 1 . LEU 93 93 17451 1 . LYS 94 94 17451 1 . ARG 95 95 17451 1 . LEU 96 96 17451 1 . PRO 97 97 17451 1 . ALA 98 98 17451 1 . ASP 99 99 17451 1 . VAL 100 100 17451 1 . LEU 101 101 17451 1 . LYS 102 102 17451 1 . LYS 103 103 17451 1 . THR 104 104 17451 1 . ILE 105 105 17451 1 . LYS 106 106 17451 1 . ASN 107 107 17451 1 . THR 108 108 17451 1 . LEU 109 109 17451 1 . ASP 110 110 17451 1 . ILE 111 111 17451 1 . HIS 112 112 17451 1 . LYS 113 113 17451 1 . SER 114 114 17451 1 . ILE 115 115 17451 1 . THR 116 116 17451 1 . ILE 117 117 17451 1 . ASN 118 118 17451 1 . ASN 119 119 17451 1 . PRO 120 120 17451 1 . LYS 121 121 17451 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 17451 _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 $M2-1 . 11245 virus . Pneumovirus 'Human syncytial respiratory virus' . 01.048.2.01.001. virus . Pneumovirus 'Human respiratory syncytial virus' . . . . . . . . . . . . . . . . . . . . . 17451 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 17451 _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 $M2-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX . . . . . . 17451 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_M21-15N13C _Sample.Sf_category sample _Sample.Sf_framecode M21-15N13C _Sample.Entry_ID 17451 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 M2-1 '[U-100% 13C; U-100% 15N]' . . 1 $M2-1 . . 0.13 . . mM . . . . 17451 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17451 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17451 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17451 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17451 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17451 1 stop_ save_ save_M21-13C _Sample.Sf_category sample _Sample.Sf_framecode M21-13C _Sample.Entry_ID 17451 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 M2-1 '[U-100% 13C]' . . 1 $M2-1 . . 0.1 . . mM . . . . 17451 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17451 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17451 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17451 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17451 2 stop_ save_ save_M21-15N-c12e5 _Sample.Sf_category sample _Sample.Sf_framecode M21-15N-c12e5 _Sample.Entry_ID 17451 _Sample.ID 3 _Sample.Type 'liquid crystal' _Sample.Sub_type . _Sample.Details c12e5/hexanol _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 M2-1 '[U-100% 15N]' . . 1 $M2-1 . . 0.2 . . mM . . . . 17451 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17451 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17451 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17451 3 5 c12e5 'natural abundance' . . . . . . 0.055 . . v/v . . . . 17451 3 6 Hexanol 'natural abundance' . . . . . . 0.017 . . v/v . . . . 17451 3 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17451 3 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17451 3 stop_ save_ save_M21-15N-gel _Sample.Sf_category sample _Sample.Sf_framecode M21-15N-gel _Sample.Entry_ID 17451 _Sample.ID 4 _Sample.Type 'gel solution' _Sample.Sub_type . _Sample.Details 'polyacrylamide gel' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 M2-1 '[U-100% 15N]' . . 1 $M2-1 . . 0.12 . . mM . . . . 17451 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17451 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17451 4 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17451 4 5 acrylamide/bisacryamide 'natural abundance' . . . . . . 6 . . % . . . . 17451 4 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17451 4 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17451 4 stop_ save_ save_M21-15N _Sample.Sf_category sample _Sample.Sf_framecode M21-15N _Sample.Entry_ID 17451 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 M2-1 '[U-100% 15N]' . . 1 $M2-1 . . 0.12 . . mM . . . . 17451 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17451 5 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17451 5 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17451 5 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17451 5 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17451 5 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 17451 _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' 150 . mM 17451 1 pH 6.8 . pH 17451 1 pressure 1 . atm 17451 1 temperature 298 . K 17451 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17451 _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' . . 17451 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17451 1 processing 17451 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17451 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17451 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17451 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17451 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17451 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17451 3 'peak picking' 17451 3 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 17451 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17451 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17451 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 17451 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17451 1 2 spectrometer_2 Bruker Avance . 800 . . . 17451 1 3 spectrometer_3 Bruker Avance . 950 . . . 17451 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 17451 _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 $M21-15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 1 2 '3D HNCO' no . . . . . . . . . . 1 $M21-15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 1 3 '3D HNCA' no . . . . . . . . . . 1 $M21-15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $M21-15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 1 5 '3D HNCACB' no . . . . . . . . . . 1 $M21-15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $M21-15N13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $M21-15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17451 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $M21-13C isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17451 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $M21-13C isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17451 1 10 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . 2 $M21-13C isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17451 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 2 $M21-13C isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17451 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $M21-13C isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17451 1 13 '2D HBCBCGCDHD' no . . . . . . . . . . 2 $M21-13C isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17451 1 14 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 3 $M21-15N-c12e5 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 1 15 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 4 $M21-15N-gel anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17451 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 17451 _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 TSP 'methyl carbons' . . . . ppm 0 internal direct 1.00 . . . . . . . . . 17451 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.00 . . . . . . . . . 17451 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17451 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 17451 _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' . . . 17451 1 3 '3D HNCA' . . . 17451 1 4 '3D HN(CO)CA' . . . 17451 1 5 '3D HNCACB' . . . 17451 1 6 '3D CBCA(CO)NH' . . . 17451 1 7 '3D 1H-15N NOESY' . . . 17451 1 8 '2D 1H-13C HSQC' . . . 17451 1 9 '3D HCCH-TOCSY' . . . 17451 1 10 '3D HCCH-TOCSY aromatic' . . . 17451 1 11 '3D CCH-TOCSY' . . . 17451 1 12 '3D 1H-13C NOESY' . . . 17451 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLU H H 1 8.73 0.02 . 1 . . . . 59 GLU H . 17451 1 2 . 1 1 3 3 GLU HA H 1 4.27 0.02 . 1 . . . . 59 GLU HA . 17451 1 3 . 1 1 3 3 GLU HB2 H 1 2.01 0.02 . 2 . . . . 59 GLU HB2 . 17451 1 4 . 1 1 3 3 GLU HB3 H 1 1.90 0.02 . 2 . . . . 59 GLU HB3 . 17451 1 5 . 1 1 3 3 GLU HG2 H 1 2.25 0.02 . 2 . . . . 59 GLU HG2 . 17451 1 6 . 1 1 3 3 GLU HG3 H 1 2.20 0.02 . 2 . . . . 59 GLU HG3 . 17451 1 7 . 1 1 3 3 GLU C C 13 176.30 0.25 . 1 . . . . 59 GLU C . 17451 1 8 . 1 1 3 3 GLU CA C 13 56.50 0.25 . 1 . . . . 59 GLU CA . 17451 1 9 . 1 1 3 3 GLU CB C 13 29.45 0.25 . 1 . . . . 59 GLU CB . 17451 1 10 . 1 1 3 3 GLU CG C 13 35.77 0.25 . 1 . . . . 59 GLU CG . 17451 1 11 . 1 1 3 3 GLU N N 15 123.20 0.15 . 1 . . . . 59 GLU N . 17451 1 12 . 1 1 4 4 ILE H H 1 8.18 0.02 . 1 . . . . 60 ILE H . 17451 1 13 . 1 1 4 4 ILE HA H 1 4.17 0.02 . 1 . . . . 60 ILE HA . 17451 1 14 . 1 1 4 4 ILE HB H 1 1.84 0.02 . 1 . . . . 60 ILE HB . 17451 1 15 . 1 1 4 4 ILE HG12 H 1 1.43 0.02 . 2 . . . . 60 ILE HG12 . 17451 1 16 . 1 1 4 4 ILE HG13 H 1 1.15 0.02 . 2 . . . . 60 ILE HG13 . 17451 1 17 . 1 1 4 4 ILE HG21 H 1 0.86 0.02 . 1 . . . . 60 ILE HG2 . 17451 1 18 . 1 1 4 4 ILE HG22 H 1 0.86 0.02 . 1 . . . . 60 ILE HG2 . 17451 1 19 . 1 1 4 4 ILE HG23 H 1 0.86 0.02 . 1 . . . . 60 ILE HG2 . 17451 1 20 . 1 1 4 4 ILE HD11 H 1 0.81 0.02 . 1 . . . . 60 ILE HD1 . 17451 1 21 . 1 1 4 4 ILE HD12 H 1 0.81 0.02 . 1 . . . . 60 ILE HD1 . 17451 1 22 . 1 1 4 4 ILE HD13 H 1 0.81 0.02 . 1 . . . . 60 ILE HD1 . 17451 1 23 . 1 1 4 4 ILE C C 13 176.10 0.25 . 1 . . . . 60 ILE C . 17451 1 24 . 1 1 4 4 ILE CA C 13 60.66 0.25 . 1 . . . . 60 ILE CA . 17451 1 25 . 1 1 4 4 ILE CB C 13 38.26 0.25 . 1 . . . . 60 ILE CB . 17451 1 26 . 1 1 4 4 ILE CG1 C 13 26.90 0.25 . 1 . . . . 60 ILE CG1 . 17451 1 27 . 1 1 4 4 ILE CG2 C 13 17.14 0.25 . 1 . . . . 60 ILE CG2 . 17451 1 28 . 1 1 4 4 ILE CD1 C 13 12.56 0.25 . 1 . . . . 60 ILE CD1 . 17451 1 29 . 1 1 4 4 ILE N N 15 121.60 0.15 . 1 . . . . 60 ILE N . 17451 1 30 . 1 1 5 5 SER H H 1 8.34 0.02 . 1 . . . . 61 SER H . 17451 1 31 . 1 1 5 5 SER HA H 1 4.42 0.02 . 1 . . . . 61 SER HA . 17451 1 32 . 1 1 5 5 SER HB2 H 1 3.83 0.02 . 2 . . . . 61 SER HB2 . 17451 1 33 . 1 1 5 5 SER HB3 H 1 3.83 0.02 . 2 . . . . 61 SER HB3 . 17451 1 34 . 1 1 5 5 SER C C 13 174.80 0.25 . 1 . . . . 61 SER C . 17451 1 35 . 1 1 5 5 SER CA C 13 57.96 0.25 . 1 . . . . 61 SER CA . 17451 1 36 . 1 1 5 5 SER CB C 13 63.32 0.25 . 1 . . . . 61 SER CB . 17451 1 37 . 1 1 5 5 SER N N 15 120.10 0.15 . 1 . . . . 61 SER N . 17451 1 38 . 1 1 6 6 GLY H H 1 8.41 0.02 . 1 . . . . 62 GLY H . 17451 1 39 . 1 1 6 6 GLY HA2 H 1 3.93 0.02 . 2 . . . . 62 GLY HA2 . 17451 1 40 . 1 1 6 6 GLY HA3 H 1 3.92 0.02 . 2 . . . . 62 GLY HA3 . 17451 1 41 . 1 1 6 6 GLY C C 13 173.70 0.25 . 1 . . . . 62 GLY C . 17451 1 42 . 1 1 6 6 GLY CA C 13 44.91 0.25 . 1 . . . . 62 GLY CA . 17451 1 43 . 1 1 6 6 GLY N N 15 111.50 0.15 . 1 . . . . 62 GLY N . 17451 1 44 . 1 1 7 7 ALA H H 1 8.08 0.02 . 1 . . . . 63 ALA H . 17451 1 45 . 1 1 7 7 ALA HA H 1 4.25 0.02 . 1 . . . . 63 ALA HA . 17451 1 46 . 1 1 7 7 ALA HB1 H 1 1.33 0.02 . 1 . . . . 63 ALA HB . 17451 1 47 . 1 1 7 7 ALA HB2 H 1 1.33 0.02 . 1 . . . . 63 ALA HB . 17451 1 48 . 1 1 7 7 ALA HB3 H 1 1.33 0.02 . 1 . . . . 63 ALA HB . 17451 1 49 . 1 1 7 7 ALA C C 13 177.40 0.25 . 1 . . . . 63 ALA C . 17451 1 50 . 1 1 7 7 ALA CA C 13 52.25 0.25 . 1 . . . . 63 ALA CA . 17451 1 51 . 1 1 7 7 ALA CB C 13 18.84 0.25 . 1 . . . . 63 ALA CB . 17451 1 52 . 1 1 7 7 ALA N N 15 123.80 0.15 . 1 . . . . 63 ALA N . 17451 1 53 . 1 1 8 8 ALA H H 1 8.25 0.02 . 1 . . . . 64 ALA H . 17451 1 54 . 1 1 8 8 ALA HA H 1 4.24 0.02 . 1 . . . . 64 ALA HA . 17451 1 55 . 1 1 8 8 ALA HB1 H 1 1.33 0.02 . 1 . . . . 64 ALA HB . 17451 1 56 . 1 1 8 8 ALA HB2 H 1 1.33 0.02 . 1 . . . . 64 ALA HB . 17451 1 57 . 1 1 8 8 ALA HB3 H 1 1.33 0.02 . 1 . . . . 64 ALA HB . 17451 1 58 . 1 1 8 8 ALA C C 13 177.60 0.25 . 1 . . . . 64 ALA C . 17451 1 59 . 1 1 8 8 ALA CA C 13 52.16 0.25 . 1 . . . . 64 ALA CA . 17451 1 60 . 1 1 8 8 ALA CB C 13 18.81 0.25 . 1 . . . . 64 ALA CB . 17451 1 61 . 1 1 8 8 ALA N N 15 123.20 0.15 . 1 . . . . 64 ALA N . 17451 1 62 . 1 1 9 9 GLU H H 1 8.26 0.02 . 1 . . . . 65 GLU H . 17451 1 63 . 1 1 9 9 GLU HA H 1 4.20 0.02 . 1 . . . . 65 GLU HA . 17451 1 64 . 1 1 9 9 GLU HB2 H 1 2.00 0.02 . 2 . . . . 65 GLU HB2 . 17451 1 65 . 1 1 9 9 GLU HB3 H 1 1.88 0.02 . 2 . . . . 65 GLU HB3 . 17451 1 66 . 1 1 9 9 GLU HG2 H 1 2.21 0.02 . 2 . . . . 65 GLU HG2 . 17451 1 67 . 1 1 9 9 GLU HG3 H 1 2.19 0.02 . 2 . . . . 65 GLU HG3 . 17451 1 68 . 1 1 9 9 GLU C C 13 176.40 0.25 . 1 . . . . 65 GLU C . 17451 1 69 . 1 1 9 9 GLU CA C 13 56.26 0.25 . 1 . . . . 65 GLU CA . 17451 1 70 . 1 1 9 9 GLU CB C 13 29.60 0.25 . 1 . . . . 65 GLU CB . 17451 1 71 . 1 1 9 9 GLU CG C 13 35.94 0.25 . 1 . . . . 65 GLU CG . 17451 1 72 . 1 1 9 9 GLU N N 15 119.60 0.15 . 1 . . . . 65 GLU N . 17451 1 73 . 1 1 10 10 LEU H H 1 8.11 0.02 . 1 . . . . 66 LEU H . 17451 1 74 . 1 1 10 10 LEU HA H 1 4.24 0.02 . 1 . . . . 66 LEU HA . 17451 1 75 . 1 1 10 10 LEU HB2 H 1 1.58 0.02 . 2 . . . . 66 LEU HB2 . 17451 1 76 . 1 1 10 10 LEU HB3 H 1 1.52 0.02 . 2 . . . . 66 LEU HB3 . 17451 1 77 . 1 1 10 10 LEU HG H 1 1.57 0.02 . 1 . . . . 66 LEU HG . 17451 1 78 . 1 1 10 10 LEU HD11 H 1 0.84 0.02 . 2 . . . . 66 LEU HD1 . 17451 1 79 . 1 1 10 10 LEU HD12 H 1 0.84 0.02 . 2 . . . . 66 LEU HD1 . 17451 1 80 . 1 1 10 10 LEU HD13 H 1 0.84 0.02 . 2 . . . . 66 LEU HD1 . 17451 1 81 . 1 1 10 10 LEU HD21 H 1 0.80 0.02 . 2 . . . . 66 LEU HD2 . 17451 1 82 . 1 1 10 10 LEU HD22 H 1 0.80 0.02 . 2 . . . . 66 LEU HD2 . 17451 1 83 . 1 1 10 10 LEU HD23 H 1 0.80 0.02 . 2 . . . . 66 LEU HD2 . 17451 1 84 . 1 1 10 10 LEU C C 13 176.80 0.25 . 1 . . . . 66 LEU C . 17451 1 85 . 1 1 10 10 LEU CA C 13 54.89 0.25 . 1 . . . . 66 LEU CA . 17451 1 86 . 1 1 10 10 LEU CB C 13 42.02 0.25 . 1 . . . . 66 LEU CB . 17451 1 87 . 1 1 10 10 LEU CG C 13 26.65 0.25 . 1 . . . . 66 LEU CG . 17451 1 88 . 1 1 10 10 LEU CD1 C 13 24.51 0.25 . 2 . . . . 66 LEU CD1 . 17451 1 89 . 1 1 10 10 LEU CD2 C 13 23.16 0.25 . 2 . . . . 66 LEU CD2 . 17451 1 90 . 1 1 10 10 LEU N N 15 122.50 0.15 . 1 . . . . 66 LEU N . 17451 1 91 . 1 1 11 11 ASP H H 1 8.27 0.02 . 1 . . . . 67 ASP H . 17451 1 92 . 1 1 11 11 ASP HA H 1 4.50 0.02 . 1 . . . . 67 ASP HA . 17451 1 93 . 1 1 11 11 ASP HB2 H 1 2.64 0.02 . 2 . . . . 67 ASP HB2 . 17451 1 94 . 1 1 11 11 ASP HB3 H 1 2.58 0.02 . 2 . . . . 67 ASP HB3 . 17451 1 95 . 1 1 11 11 ASP C C 13 176.10 0.25 . 1 . . . . 67 ASP C . 17451 1 96 . 1 1 11 11 ASP CA C 13 54.03 0.25 . 1 . . . . 67 ASP CA . 17451 1 97 . 1 1 11 11 ASP CB C 13 40.77 0.25 . 1 . . . . 67 ASP CB . 17451 1 98 . 1 1 11 11 ASP N N 15 121.00 0.15 . 1 . . . . 67 ASP N . 17451 1 99 . 1 1 12 12 ARG H H 1 8.19 0.02 . 1 . . . . 68 ARG H . 17451 1 100 . 1 1 12 12 ARG HA H 1 4.35 0.02 . 1 . . . . 68 ARG HA . 17451 1 101 . 1 1 12 12 ARG HB2 H 1 1.84 0.02 . 2 . . . . 68 ARG HB2 . 17451 1 102 . 1 1 12 12 ARG HB3 H 1 1.68 0.02 . 2 . . . . 68 ARG HB3 . 17451 1 103 . 1 1 12 12 ARG HG2 H 1 1.58 0.02 . 2 . . . . 68 ARG HG2 . 17451 1 104 . 1 1 12 12 ARG HG3 H 1 1.52 0.02 . 2 . . . . 68 ARG HG3 . 17451 1 105 . 1 1 12 12 ARG HD2 H 1 3.11 0.02 . 2 . . . . 68 ARG HD2 . 17451 1 106 . 1 1 12 12 ARG HD3 H 1 3.11 0.02 . 2 . . . . 68 ARG HD3 . 17451 1 107 . 1 1 12 12 ARG C C 13 176.40 0.25 . 1 . . . . 68 ARG C . 17451 1 108 . 1 1 12 12 ARG CA C 13 55.68 0.25 . 1 . . . . 68 ARG CA . 17451 1 109 . 1 1 12 12 ARG CB C 13 30.14 0.25 . 1 . . . . 68 ARG CB . 17451 1 110 . 1 1 12 12 ARG CG C 13 26.72 0.25 . 1 . . . . 68 ARG CG . 17451 1 111 . 1 1 12 12 ARG CD C 13 42.87 0.25 . 1 . . . . 68 ARG CD . 17451 1 112 . 1 1 12 12 ARG N N 15 121.80 0.15 . 1 . . . . 68 ARG N . 17451 1 113 . 1 1 13 13 THR H H 1 8.20 0.02 . 1 . . . . 69 THR H . 17451 1 114 . 1 1 13 13 THR HA H 1 4.15 0.02 . 1 . . . . 69 THR HA . 17451 1 115 . 1 1 13 13 THR HB H 1 4.19 0.02 . 1 . . . . 69 THR HB . 17451 1 116 . 1 1 13 13 THR HG21 H 1 1.17 0.02 . 1 . . . . 69 THR HG2 . 17451 1 117 . 1 1 13 13 THR HG22 H 1 1.17 0.02 . 1 . . . . 69 THR HG2 . 17451 1 118 . 1 1 13 13 THR HG23 H 1 1.17 0.02 . 1 . . . . 69 THR HG2 . 17451 1 119 . 1 1 13 13 THR C C 13 175.10 0.25 . 1 . . . . 69 THR C . 17451 1 120 . 1 1 13 13 THR CA C 13 62.81 0.25 . 1 . . . . 69 THR CA . 17451 1 121 . 1 1 13 13 THR CB C 13 69.17 0.25 . 1 . . . . 69 THR CB . 17451 1 122 . 1 1 13 13 THR CG2 C 13 21.37 0.25 . 1 . . . . 69 THR CG2 . 17451 1 123 . 1 1 13 13 THR N N 15 115.40 0.15 . 1 . . . . 69 THR N . 17451 1 124 . 1 1 14 14 GLU H H 1 8.51 0.02 . 1 . . . . 70 GLU H . 17451 1 125 . 1 1 14 14 GLU HA H 1 4.16 0.02 . 1 . . . . 70 GLU HA . 17451 1 126 . 1 1 14 14 GLU HB2 H 1 1.94 0.02 . 2 . . . . 70 GLU HB2 . 17451 1 127 . 1 1 14 14 GLU HB3 H 1 1.88 0.02 . 2 . . . . 70 GLU HB3 . 17451 1 128 . 1 1 14 14 GLU HG2 H 1 2.21 0.02 . 2 . . . . 70 GLU HG2 . 17451 1 129 . 1 1 14 14 GLU HG3 H 1 2.19 0.02 . 2 . . . . 70 GLU HG3 . 17451 1 130 . 1 1 14 14 GLU C C 13 176.80 0.25 . 1 . . . . 70 GLU C . 17451 1 131 . 1 1 14 14 GLU CA C 13 57.22 0.25 . 1 . . . . 70 GLU CA . 17451 1 132 . 1 1 14 14 GLU CB C 13 29.64 0.25 . 1 . . . . 70 GLU CB . 17451 1 133 . 1 1 14 14 GLU CG C 13 36.11 0.25 . 1 . . . . 70 GLU CG . 17451 1 134 . 1 1 14 14 GLU N N 15 122.60 0.15 . 1 . . . . 70 GLU N . 17451 1 135 . 1 1 15 15 GLU H H 1 8.28 0.02 . 1 . . . . 71 GLU H . 17451 1 136 . 1 1 15 15 GLU HA H 1 3.96 0.02 . 1 . . . . 71 GLU HA . 17451 1 137 . 1 1 15 15 GLU HB2 H 1 1.87 0.02 . 2 . . . . 71 GLU HB2 . 17451 1 138 . 1 1 15 15 GLU HB3 H 1 1.87 0.02 . 2 . . . . 71 GLU HB3 . 17451 1 139 . 1 1 15 15 GLU HG2 H 1 2.10 0.02 . 2 . . . . 71 GLU HG2 . 17451 1 140 . 1 1 15 15 GLU HG3 H 1 2.05 0.02 . 2 . . . . 71 GLU HG3 . 17451 1 141 . 1 1 15 15 GLU C C 13 177.10 0.25 . 1 . . . . 71 GLU C . 17451 1 142 . 1 1 15 15 GLU CA C 13 57.37 0.25 . 1 . . . . 71 GLU CA . 17451 1 143 . 1 1 15 15 GLU CB C 13 29.48 0.25 . 1 . . . . 71 GLU CB . 17451 1 144 . 1 1 15 15 GLU CG C 13 36.05 0.25 . 1 . . . . 71 GLU CG . 17451 1 145 . 1 1 15 15 GLU N N 15 120.80 0.15 . 1 . . . . 71 GLU N . 17451 1 146 . 1 1 16 16 TYR H H 1 8.00 0.02 . 1 . . . . 72 TYR H . 17451 1 147 . 1 1 16 16 TYR HA H 1 4.35 0.02 . 1 . . . . 72 TYR H . 17451 1 148 . 1 1 16 16 TYR HB2 H 1 3.01 0.02 . 2 . . . . 72 TYR H . 17451 1 149 . 1 1 16 16 TYR HB3 H 1 2.94 0.02 . 2 . . . . 72 TYR H . 17451 1 150 . 1 1 16 16 TYR HD1 H 1 7.05 0.02 . 3 . . . . 72 TYR H . 17451 1 151 . 1 1 16 16 TYR HD2 H 1 7.05 0.02 . 3 . . . . 72 TYR H . 17451 1 152 . 1 1 16 16 TYR HE1 H 1 6.75 0.02 . 3 . . . . 72 TYR H . 17451 1 153 . 1 1 16 16 TYR HE2 H 1 6.75 0.02 . 3 . . . . 72 TYR H . 17451 1 154 . 1 1 16 16 TYR C C 13 176.30 0.25 . 1 . . . . 72 TYR C . 17451 1 155 . 1 1 16 16 TYR CA C 13 58.26 0.25 . 1 . . . . 72 TYR C . 17451 1 156 . 1 1 16 16 TYR CB C 13 37.88 0.25 . 1 . . . . 72 TYR C . 17451 1 157 . 1 1 16 16 TYR CD1 C 13 133.00 0.25 . 3 . . . . 72 TYR C . 17451 1 158 . 1 1 16 16 TYR CD2 C 13 133.00 0.25 . 3 . . . . 72 TYR C . 17451 1 159 . 1 1 16 16 TYR CE1 C 13 117.90 0.25 . 3 . . . . 72 TYR C . 17451 1 160 . 1 1 16 16 TYR CE2 C 13 117.90 0.25 . 3 . . . . 72 TYR C . 17451 1 161 . 1 1 16 16 TYR N N 15 119.80 0.15 . 1 . . . . 72 TYR N . 17451 1 162 . 1 1 17 17 ALA H H 1 8.03 0.02 . 1 . . . . 73 ALA H . 17451 1 163 . 1 1 17 17 ALA HA H 1 4.13 0.02 . 1 . . . . 73 ALA HA . 17451 1 164 . 1 1 17 17 ALA HB1 H 1 1.34 0.02 . 1 . . . . 73 ALA HB . 17451 1 165 . 1 1 17 17 ALA HB2 H 1 1.34 0.02 . 1 . . . . 73 ALA HB . 17451 1 166 . 1 1 17 17 ALA HB3 H 1 1.34 0.02 . 1 . . . . 73 ALA HB . 17451 1 167 . 1 1 17 17 ALA C C 13 178.00 0.25 . 1 . . . . 73 ALA C . 17451 1 168 . 1 1 17 17 ALA CA C 13 53.03 0.25 . 1 . . . . 73 ALA CA . 17451 1 169 . 1 1 17 17 ALA CB C 13 18.31 0.25 . 1 . . . . 73 ALA CB . 17451 1 170 . 1 1 17 17 ALA N N 15 123.90 0.15 . 1 . . . . 73 ALA N . 17451 1 171 . 1 1 18 18 LEU H H 1 7.82 0.02 . 1 . . . . 74 LEU H . 17451 1 172 . 1 1 18 18 LEU HA H 1 4.23 0.02 . 1 . . . . 74 LEU HA . 17451 1 173 . 1 1 18 18 LEU HB2 H 1 1.37 0.02 . 2 . . . . 74 LEU HB2 . 17451 1 174 . 1 1 18 18 LEU HB3 H 1 1.70 0.02 . 2 . . . . 74 LEU HB3 . 17451 1 175 . 1 1 18 18 LEU HG H 1 1.62 0.02 . 1 . . . . 74 LEU HG . 17451 1 176 . 1 1 18 18 LEU HD11 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 17451 1 177 . 1 1 18 18 LEU HD12 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 17451 1 178 . 1 1 18 18 LEU HD13 H 1 0.78 0.02 . 2 . . . . 74 LEU HD1 . 17451 1 179 . 1 1 18 18 LEU HD21 H 1 0.75 0.02 . 2 . . . . 74 LEU HD2 . 17451 1 180 . 1 1 18 18 LEU HD22 H 1 0.75 0.02 . 2 . . . . 74 LEU HD2 . 17451 1 181 . 1 1 18 18 LEU HD23 H 1 0.75 0.02 . 2 . . . . 74 LEU HD2 . 17451 1 182 . 1 1 18 18 LEU C C 13 178.30 0.25 . 1 . . . . 74 LEU C . 17451 1 183 . 1 1 18 18 LEU CA C 13 55.19 0.25 . 1 . . . . 74 LEU CA . 17451 1 184 . 1 1 18 18 LEU CB C 13 43.30 0.25 . 1 . . . . 74 LEU CB . 17451 1 185 . 1 1 18 18 LEU CG C 13 26.59 0.25 . 1 . . . . 74 LEU CG . 17451 1 186 . 1 1 18 18 LEU CD1 C 13 25.14 0.25 . 2 . . . . 74 LEU CD1 . 17451 1 187 . 1 1 18 18 LEU CD2 C 13 22.63 0.25 . 2 . . . . 74 LEU CD2 . 17451 1 188 . 1 1 18 18 LEU N N 15 118.40 0.15 . 1 . . . . 74 LEU N . 17451 1 189 . 1 1 19 19 GLY H H 1 7.90 0.02 . 1 . . . . 75 GLY H . 17451 1 190 . 1 1 19 19 GLY HA2 H 1 3.94 0.02 . 2 . . . . 75 GLY HA2 . 17451 1 191 . 1 1 19 19 GLY HA3 H 1 4.05 0.02 . 2 . . . . 75 GLY HA3 . 17451 1 192 . 1 1 19 19 GLY C C 13 173.10 0.25 . 1 . . . . 75 GLY C . 17451 1 193 . 1 1 19 19 GLY CA C 13 44.08 0.25 . 1 . . . . 75 GLY CA . 17451 1 194 . 1 1 19 19 GLY N N 15 107.90 0.15 . 1 . . . . 75 GLY N . 17451 1 195 . 1 1 20 20 VAL H H 1 8.12 0.02 . 1 . . . . 76 VAL H . 17451 1 196 . 1 1 20 20 VAL HA H 1 3.50 0.02 . 1 . . . . 76 VAL HA . 17451 1 197 . 1 1 20 20 VAL HB H 1 1.95 0.02 . 1 . . . . 76 VAL HB . 17451 1 198 . 1 1 20 20 VAL HG11 H 1 0.84 0.02 . 2 . . . . 76 VAL HG1 . 17451 1 199 . 1 1 20 20 VAL HG12 H 1 0.84 0.02 . 2 . . . . 76 VAL HG1 . 17451 1 200 . 1 1 20 20 VAL HG13 H 1 0.84 0.02 . 2 . . . . 76 VAL HG1 . 17451 1 201 . 1 1 20 20 VAL HG21 H 1 0.95 0.02 . 2 . . . . 76 VAL HG2 . 17451 1 202 . 1 1 20 20 VAL HG22 H 1 0.95 0.02 . 2 . . . . 76 VAL HG2 . 17451 1 203 . 1 1 20 20 VAL HG23 H 1 0.95 0.02 . 2 . . . . 76 VAL HG2 . 17451 1 204 . 1 1 20 20 VAL C C 13 177.10 0.25 . 1 . . . . 76 VAL C . 17451 1 205 . 1 1 20 20 VAL CA C 13 66.48 0.25 . 1 . . . . 76 VAL CA . 17451 1 206 . 1 1 20 20 VAL CB C 13 31.92 0.25 . 1 . . . . 76 VAL CB . 17451 1 207 . 1 1 20 20 VAL CG1 C 13 22.03 0.25 . 2 . . . . 76 VAL CG1 . 17451 1 208 . 1 1 20 20 VAL CG2 C 13 22.55 0.25 . 2 . . . . 76 VAL CG2 . 17451 1 209 . 1 1 20 20 VAL N N 15 119.50 0.15 . 1 . . . . 76 VAL N . 17451 1 210 . 1 1 21 21 VAL H H 1 8.12 0.02 . 1 . . . . 77 VAL H . 17451 1 211 . 1 1 21 21 VAL HA H 1 3.38 0.02 . 1 . . . . 77 VAL HA . 17451 1 212 . 1 1 21 21 VAL HB H 1 1.94 0.02 . 1 . . . . 77 VAL HB . 17451 1 213 . 1 1 21 21 VAL HG11 H 1 0.85 0.02 . 2 . . . . 77 VAL HG1 . 17451 1 214 . 1 1 21 21 VAL HG12 H 1 0.85 0.02 . 2 . . . . 77 VAL HG1 . 17451 1 215 . 1 1 21 21 VAL HG13 H 1 0.85 0.02 . 2 . . . . 77 VAL HG1 . 17451 1 216 . 1 1 21 21 VAL HG21 H 1 0.85 0.02 . 2 . . . . 77 VAL HG2 . 17451 1 217 . 1 1 21 21 VAL HG22 H 1 0.85 0.02 . 2 . . . . 77 VAL HG2 . 17451 1 218 . 1 1 21 21 VAL HG23 H 1 0.85 0.02 . 2 . . . . 77 VAL HG2 . 17451 1 219 . 1 1 21 21 VAL C C 13 177.50 0.25 . 1 . . . . 77 VAL C . 17451 1 220 . 1 1 21 21 VAL CA C 13 66.81 0.25 . 1 . . . . 77 VAL CA . 17451 1 221 . 1 1 21 21 VAL CB C 13 31.06 0.25 . 1 . . . . 77 VAL CB . 17451 1 222 . 1 1 21 21 VAL CG1 C 13 22.97 0.25 . 2 . . . . 77 VAL CG1 . 17451 1 223 . 1 1 21 21 VAL CG2 C 13 21.02 0.25 . 2 . . . . 77 VAL CG2 . 17451 1 224 . 1 1 21 21 VAL N N 15 118.10 0.15 . 1 . . . . 77 VAL N . 17451 1 225 . 1 1 22 22 GLY H H 1 7.66 0.02 . 1 . . . . 78 GLY H . 17451 1 226 . 1 1 22 22 GLY HA2 H 1 3.91 0.02 . 2 . . . . 78 GLY HA2 . 17451 1 227 . 1 1 22 22 GLY HA3 H 1 3.76 0.02 . 2 . . . . 78 GLY HA3 . 17451 1 228 . 1 1 22 22 GLY C C 13 177.50 0.25 . 1 . . . . 78 GLY C . 17451 1 229 . 1 1 22 22 GLY CA C 13 46.89 0.25 . 1 . . . . 78 GLY CA . 17451 1 230 . 1 1 22 22 GLY N N 15 106.90 0.15 . 1 . . . . 78 GLY N . 17451 1 231 . 1 1 23 23 VAL H H 1 8.22 0.02 . 1 . . . . 79 VAL H . 17451 1 232 . 1 1 23 23 VAL HA H 1 3.43 0.02 . 1 . . . . 79 VAL HA . 17451 1 233 . 1 1 23 23 VAL HB H 1 2.07 0.02 . 1 . . . . 79 VAL HB . 17451 1 234 . 1 1 23 23 VAL HG11 H 1 0.69 0.02 . 2 . . . . 79 VAL HG1 . 17451 1 235 . 1 1 23 23 VAL HG12 H 1 0.69 0.02 . 2 . . . . 79 VAL HG1 . 17451 1 236 . 1 1 23 23 VAL HG13 H 1 0.69 0.02 . 2 . . . . 79 VAL HG1 . 17451 1 237 . 1 1 23 23 VAL HG21 H 1 0.95 0.02 . 2 . . . . 79 VAL HG2 . 17451 1 238 . 1 1 23 23 VAL HG22 H 1 0.95 0.02 . 2 . . . . 79 VAL HG2 . 17451 1 239 . 1 1 23 23 VAL HG23 H 1 0.95 0.02 . 2 . . . . 79 VAL HG2 . 17451 1 240 . 1 1 23 23 VAL C C 13 177.20 0.25 . 1 . . . . 79 VAL C . 17451 1 241 . 1 1 23 23 VAL CA C 13 67.02 0.25 . 1 . . . . 79 VAL CA . 17451 1 242 . 1 1 23 23 VAL CB C 13 31.52 0.25 . 1 . . . . 79 VAL CB . 17451 1 243 . 1 1 23 23 VAL CG1 C 13 21.43 0.25 . 2 . . . . 79 VAL CG1 . 17451 1 244 . 1 1 23 23 VAL CG2 C 13 23.45 0.25 . 2 . . . . 79 VAL CG2 . 17451 1 245 . 1 1 23 23 VAL N N 15 125.10 0.15 . 1 . . . . 79 VAL N . 17451 1 246 . 1 1 24 24 LEU H H 1 7.52 0.02 . 1 . . . . 80 LEU H . 17451 1 247 . 1 1 24 24 LEU HA H 1 3.97 0.02 . 1 . . . . 80 LEU HA . 17451 1 248 . 1 1 24 24 LEU HB2 H 1 2.07 0.02 . 2 . . . . 80 LEU HB2 . 17451 1 249 . 1 1 24 24 LEU HB3 H 1 1.31 0.02 . 2 . . . . 80 LEU HB3 . 17451 1 250 . 1 1 24 24 LEU HG H 1 1.89 0.02 . 1 . . . . 80 LEU HG . 17451 1 251 . 1 1 24 24 LEU HD11 H 1 0.67 0.02 . 2 . . . . 80 LEU HD1 . 17451 1 252 . 1 1 24 24 LEU HD12 H 1 0.67 0.02 . 2 . . . . 80 LEU HD1 . 17451 1 253 . 1 1 24 24 LEU HD13 H 1 0.67 0.02 . 2 . . . . 80 LEU HD1 . 17451 1 254 . 1 1 24 24 LEU HD21 H 1 0.86 0.02 . 2 . . . . 80 LEU HD2 . 17451 1 255 . 1 1 24 24 LEU HD22 H 1 0.86 0.02 . 2 . . . . 80 LEU HD2 . 17451 1 256 . 1 1 24 24 LEU HD23 H 1 0.86 0.02 . 2 . . . . 80 LEU HD2 . 17451 1 257 . 1 1 24 24 LEU C C 13 178.80 0.25 . 1 . . . . 80 LEU C . 17451 1 258 . 1 1 24 24 LEU CA C 13 58.12 0.25 . 1 . . . . 80 LEU CA . 17451 1 259 . 1 1 24 24 LEU CB C 13 40.88 0.25 . 1 . . . . 80 LEU CB . 17451 1 260 . 1 1 24 24 LEU CG C 13 25.74 0.25 . 1 . . . . 80 LEU CG . 17451 1 261 . 1 1 24 24 LEU CD1 C 13 26.81 0.25 . 2 . . . . 80 LEU CD1 . 17451 1 262 . 1 1 24 24 LEU CD2 C 13 22.92 0.25 . 2 . . . . 80 LEU CD2 . 17451 1 263 . 1 1 24 24 LEU N N 15 119.60 0.15 . 1 . . . . 80 LEU N . 17451 1 264 . 1 1 25 25 GLU H H 1 9.13 0.02 . 1 . . . . 81 GLU H . 17451 1 265 . 1 1 25 25 GLU HA H 1 3.78 0.02 . 1 . . . . 81 GLU HA . 17451 1 266 . 1 1 25 25 GLU HB2 H 1 2.07 0.02 . 2 . . . . 81 GLU HB2 . 17451 1 267 . 1 1 25 25 GLU HB3 H 1 1.86 0.02 . 2 . . . . 81 GLU HB3 . 17451 1 268 . 1 1 25 25 GLU HG2 H 1 2.51 0.02 . 2 . . . . 81 GLU HG2 . 17451 1 269 . 1 1 25 25 GLU HG3 H 1 2.06 0.02 . 2 . . . . 81 GLU HG3 . 17451 1 270 . 1 1 25 25 GLU C C 13 180.60 0.25 . 1 . . . . 81 GLU C . 17451 1 271 . 1 1 25 25 GLU CA C 13 59.35 0.25 . 1 . . . . 81 GLU CA . 17451 1 272 . 1 1 25 25 GLU CB C 13 29.47 0.25 . 1 . . . . 81 GLU CB . 17451 1 273 . 1 1 25 25 GLU CG C 13 37.40 0.25 . 1 . . . . 81 GLU CG . 17451 1 274 . 1 1 25 25 GLU N N 15 118.00 0.15 . 1 . . . . 81 GLU N . 17451 1 275 . 1 1 26 26 SER H H 1 8.18 0.02 . 1 . . . . 82 SER H . 17451 1 276 . 1 1 26 26 SER HA H 1 4.14 0.02 . 1 . . . . 82 SER HA . 17451 1 277 . 1 1 26 26 SER HB2 H 1 4.18 0.02 . 2 . . . . 82 SER HB2 . 17451 1 278 . 1 1 26 26 SER HB3 H 1 4.03 0.02 . 2 . . . . 82 SER HB3 . 17451 1 279 . 1 1 26 26 SER C C 13 175.30 0.25 . 1 . . . . 82 SER C . 17451 1 280 . 1 1 26 26 SER CA C 13 62.19 0.25 . 1 . . . . 82 SER CA . 17451 1 281 . 1 1 26 26 SER CB C 13 62.47 0.25 . 1 . . . . 82 SER CB . 17451 1 282 . 1 1 26 26 SER N N 15 117.00 0.15 . 1 . . . . 82 SER N . 17451 1 283 . 1 1 27 27 TYR H H 1 8.40 0.02 . 1 . . . . 83 TYR H . 17451 1 284 . 1 1 27 27 TYR HA H 1 4.33 0.02 . 1 . . . . 83 TYR HA . 17451 1 285 . 1 1 27 27 TYR HB2 H 1 3.03 0.02 . 2 . . . . 83 TYR HB2 . 17451 1 286 . 1 1 27 27 TYR HB3 H 1 2.95 0.02 . 2 . . . . 83 TYR HB3 . 17451 1 287 . 1 1 27 27 TYR HD1 H 1 6.77 0.02 . 3 . . . . 83 TYR HD1 . 17451 1 288 . 1 1 27 27 TYR HD2 H 1 6.77 0.02 . 3 . . . . 83 TYR HD2 . 17451 1 289 . 1 1 27 27 TYR HE1 H 1 6.46 0.02 . 3 . . . . 83 TYR HE1 . 17451 1 290 . 1 1 27 27 TYR HE2 H 1 6.46 0.02 . 3 . . . . 83 TYR HE2 . 17451 1 291 . 1 1 27 27 TYR C C 13 179.20 0.25 . 1 . . . . 83 TYR C . 17451 1 292 . 1 1 27 27 TYR CA C 13 61.35 0.25 . 1 . . . . 83 TYR CA . 17451 1 293 . 1 1 27 27 TYR CB C 13 38.41 0.25 . 1 . . . . 83 TYR CB . 17451 1 294 . 1 1 27 27 TYR CD1 C 13 132.80 0.25 . 3 . . . . 83 TYR CD1 . 17451 1 295 . 1 1 27 27 TYR CD2 C 13 132.80 0.25 . 3 . . . . 83 TYR CD2 . 17451 1 296 . 1 1 27 27 TYR CE1 C 13 117.90 0.25 . 3 . . . . 83 TYR CE1 . 17451 1 297 . 1 1 27 27 TYR CE2 C 13 117.90 0.25 . 3 . . . . 83 TYR CE2 . 17451 1 298 . 1 1 27 27 TYR N N 15 122.50 0.15 . 1 . . . . 83 TYR N . 17451 1 299 . 1 1 28 28 ILE H H 1 8.04 0.02 . 1 . . . . 84 ILE H . 17451 1 300 . 1 1 28 28 ILE HA H 1 3.63 0.02 . 1 . . . . 84 ILE HA . 17451 1 301 . 1 1 28 28 ILE HB H 1 2.03 0.02 . 1 . . . . 84 ILE HB . 17451 1 302 . 1 1 28 28 ILE HG12 H 1 1.49 0.02 . 2 . . . . 84 ILE HG12 . 17451 1 303 . 1 1 28 28 ILE HG13 H 1 1.49 0.02 . 2 . . . . 84 ILE HG13 . 17451 1 304 . 1 1 28 28 ILE HG21 H 1 1.04 0.02 . 1 . . . . 84 ILE HG2 . 17451 1 305 . 1 1 28 28 ILE HG22 H 1 1.04 0.02 . 1 . . . . 84 ILE HG2 . 17451 1 306 . 1 1 28 28 ILE HG23 H 1 1.04 0.02 . 1 . . . . 84 ILE HG2 . 17451 1 307 . 1 1 28 28 ILE HD11 H 1 0.81 0.02 . 1 . . . . 84 ILE HD1 . 17451 1 308 . 1 1 28 28 ILE HD12 H 1 0.81 0.02 . 1 . . . . 84 ILE HD1 . 17451 1 309 . 1 1 28 28 ILE HD13 H 1 0.81 0.02 . 1 . . . . 84 ILE HD1 . 17451 1 310 . 1 1 28 28 ILE C C 13 177.20 0.25 . 1 . . . . 84 ILE C . 17451 1 311 . 1 1 28 28 ILE CA C 13 64.58 0.25 . 1 . . . . 84 ILE CA . 17451 1 312 . 1 1 28 28 ILE CB C 13 36.86 0.25 . 1 . . . . 84 ILE CB . 17451 1 313 . 1 1 28 28 ILE CG1 C 13 26.44 0.25 . 1 . . . . 84 ILE CG1 . 17451 1 314 . 1 1 28 28 ILE CG2 C 13 18.71 0.25 . 1 . . . . 84 ILE CG2 . 17451 1 315 . 1 1 28 28 ILE CD1 C 13 13.86 0.25 . 1 . . . . 84 ILE CD1 . 17451 1 316 . 1 1 28 28 ILE N N 15 112.90 0.15 . 1 . . . . 84 ILE N . 17451 1 317 . 1 1 29 29 GLY H H 1 7.66 0.02 . 1 . . . . 85 GLY H . 17451 1 318 . 1 1 29 29 GLY HA2 H 1 4.24 0.02 . 2 . . . . 85 GLY HA2 . 17451 1 319 . 1 1 29 29 GLY HA3 H 1 3.52 0.02 . 2 . . . . 85 GLY HA3 . 17451 1 320 . 1 1 29 29 GLY C C 13 172.80 0.25 . 1 . . . . 85 GLY C . 17451 1 321 . 1 1 29 29 GLY CA C 13 44.40 0.25 . 1 . . . . 85 GLY CA . 17451 1 322 . 1 1 29 29 GLY N N 15 108.30 0.15 . 1 . . . . 85 GLY N . 17451 1 323 . 1 1 30 30 SER H H 1 7.60 0.02 . 1 . . . . 86 SER H . 17451 1 324 . 1 1 30 30 SER HA H 1 4.16 0.02 . 1 . . . . 86 SER HA . 17451 1 325 . 1 1 30 30 SER HB2 H 1 4.01 0.02 . 2 . . . . 86 SER HB2 . 17451 1 326 . 1 1 30 30 SER HB3 H 1 3.92 0.02 . 2 . . . . 86 SER HB3 . 17451 1 327 . 1 1 30 30 SER C C 13 173.80 0.25 . 1 . . . . 86 SER C . 17451 1 328 . 1 1 30 30 SER CA C 13 58.06 0.25 . 1 . . . . 86 SER CA . 17451 1 329 . 1 1 30 30 SER CB C 13 61.61 0.25 . 1 . . . . 86 SER CB . 17451 1 330 . 1 1 30 30 SER N N 15 113.50 0.15 . 1 . . . . 86 SER N . 17451 1 331 . 1 1 31 31 ILE H H 1 8.16 0.02 . 1 . . . . 87 ILE H . 17451 1 332 . 1 1 31 31 ILE HA H 1 4.60 0.02 . 1 . . . . 87 ILE HA . 17451 1 333 . 1 1 31 31 ILE HB H 1 1.75 0.02 . 1 . . . . 87 ILE HB . 17451 1 334 . 1 1 31 31 ILE HG12 H 1 1.28 0.02 . 2 . . . . 87 ILE HG12 . 17451 1 335 . 1 1 31 31 ILE HG13 H 1 0.99 0.02 . 2 . . . . 87 ILE HG13 . 17451 1 336 . 1 1 31 31 ILE HG21 H 1 0.84 0.02 . 1 . . . . 87 ILE HG2 . 17451 1 337 . 1 1 31 31 ILE HG22 H 1 0.84 0.02 . 1 . . . . 87 ILE HG2 . 17451 1 338 . 1 1 31 31 ILE HG23 H 1 0.84 0.02 . 1 . . . . 87 ILE HG2 . 17451 1 339 . 1 1 31 31 ILE HD11 H 1 0.79 0.02 . 1 . . . . 87 ILE HD1 . 17451 1 340 . 1 1 31 31 ILE HD12 H 1 0.79 0.02 . 1 . . . . 87 ILE HD1 . 17451 1 341 . 1 1 31 31 ILE HD13 H 1 0.79 0.02 . 1 . . . . 87 ILE HD1 . 17451 1 342 . 1 1 31 31 ILE C C 13 176.10 0.25 . 1 . . . . 87 ILE C . 17451 1 343 . 1 1 31 31 ILE CA C 13 59.88 0.25 . 1 . . . . 87 ILE CA . 17451 1 344 . 1 1 31 31 ILE CB C 13 41.21 0.25 . 1 . . . . 87 ILE CB . 17451 1 345 . 1 1 31 31 ILE CG1 C 13 26.49 0.25 . 1 . . . . 87 ILE CG1 . 17451 1 346 . 1 1 31 31 ILE CG2 C 13 17.22 0.25 . 1 . . . . 87 ILE CG2 . 17451 1 347 . 1 1 31 31 ILE CD1 C 13 12.92 0.25 . 1 . . . . 87 ILE CD1 . 17451 1 348 . 1 1 31 31 ILE N N 15 114.60 0.15 . 1 . . . . 87 ILE N . 17451 1 349 . 1 1 32 32 ASN H H 1 8.70 0.02 . 1 . . . . 88 ASN H . 17451 1 350 . 1 1 32 32 ASN HA H 1 4.33 0.02 . 1 . . . . 88 ASN HA . 17451 1 351 . 1 1 32 32 ASN HB2 H 1 2.94 0.02 . 2 . . . . 88 ASN HB2 . 17451 1 352 . 1 1 32 32 ASN HB3 H 1 2.80 0.02 . 2 . . . . 88 ASN HB3 . 17451 1 353 . 1 1 32 32 ASN HD21 H 1 7.48 0.02 . 2 . . . . 88 ASN HD21 . 17451 1 354 . 1 1 32 32 ASN HD22 H 1 7.04 0.02 . 2 . . . . 88 ASN HD22 . 17451 1 355 . 1 1 32 32 ASN C C 13 173.20 0.25 . 1 . . . . 88 ASN C . 17451 1 356 . 1 1 32 32 ASN CA C 13 54.38 0.25 . 1 . . . . 88 ASN CA . 17451 1 357 . 1 1 32 32 ASN CB C 13 37.34 0.25 . 1 . . . . 88 ASN CB . 17451 1 358 . 1 1 32 32 ASN N N 15 114.40 0.15 . 1 . . . . 88 ASN N . 17451 1 359 . 1 1 32 32 ASN ND2 N 15 114.90 0.15 . 1 . . . . 88 ASN ND2 . 17451 1 360 . 1 1 33 33 ASN H H 1 8.56 0.02 . 1 . . . . 89 ASN H . 17451 1 361 . 1 1 33 33 ASN HA H 1 4.28 0.02 . 1 . . . . 89 ASN HA . 17451 1 362 . 1 1 33 33 ASN HB2 H 1 2.87 0.02 . 2 . . . . 89 ASN HB2 . 17451 1 363 . 1 1 33 33 ASN HB3 H 1 2.70 0.02 . 2 . . . . 89 ASN HB3 . 17451 1 364 . 1 1 33 33 ASN HD21 H 1 7.57 0.02 . 2 . . . . 89 ASN HD21 . 17451 1 365 . 1 1 33 33 ASN HD22 H 1 6.83 0.02 . 2 . . . . 89 ASN HD22 . 17451 1 366 . 1 1 33 33 ASN C C 13 174.00 0.25 . 1 . . . . 89 ASN C . 17451 1 367 . 1 1 33 33 ASN CA C 13 53.55 0.25 . 1 . . . . 89 ASN CA . 17451 1 368 . 1 1 33 33 ASN CB C 13 37.20 0.25 . 1 . . . . 89 ASN CB . 17451 1 369 . 1 1 33 33 ASN N N 15 114.40 0.15 . 1 . . . . 89 ASN N . 17451 1 370 . 1 1 33 33 ASN ND2 N 15 113.40 0.15 . 1 . . . . 89 ASN ND2 . 17451 1 371 . 1 1 34 34 ILE H H 1 7.94 0.02 . 1 . . . . 90 ILE H . 17451 1 372 . 1 1 34 34 ILE HA H 1 4.25 0.02 . 1 . . . . 90 ILE HA . 17451 1 373 . 1 1 34 34 ILE HB H 1 2.09 0.02 . 1 . . . . 90 ILE HB . 17451 1 374 . 1 1 34 34 ILE HG12 H 1 1.68 0.02 . 2 . . . . 90 ILE HG12 . 17451 1 375 . 1 1 34 34 ILE HG13 H 1 1.54 0.02 . 2 . . . . 90 ILE HG13 . 17451 1 376 . 1 1 34 34 ILE HG21 H 1 1.02 0.02 . 1 . . . . 90 ILE HG2 . 17451 1 377 . 1 1 34 34 ILE HG22 H 1 1.02 0.02 . 1 . . . . 90 ILE HG2 . 17451 1 378 . 1 1 34 34 ILE HG23 H 1 1.02 0.02 . 1 . . . . 90 ILE HG2 . 17451 1 379 . 1 1 34 34 ILE HD11 H 1 0.72 0.02 . 1 . . . . 90 ILE HD1 . 17451 1 380 . 1 1 34 34 ILE HD12 H 1 0.72 0.02 . 1 . . . . 90 ILE HD1 . 17451 1 381 . 1 1 34 34 ILE HD13 H 1 0.72 0.02 . 1 . . . . 90 ILE HD1 . 17451 1 382 . 1 1 34 34 ILE C C 13 177.00 0.25 . 1 . . . . 90 ILE C . 17451 1 383 . 1 1 34 34 ILE CA C 13 58.14 0.25 . 1 . . . . 90 ILE CA . 17451 1 384 . 1 1 34 34 ILE CB C 13 36.24 0.25 . 1 . . . . 90 ILE CB . 17451 1 385 . 1 1 34 34 ILE CG1 C 13 26.25 0.25 . 1 . . . . 90 ILE CG1 . 17451 1 386 . 1 1 34 34 ILE CG2 C 13 17.95 0.25 . 1 . . . . 90 ILE CG2 . 17451 1 387 . 1 1 34 34 ILE CD1 C 13 8.73 0.25 . 1 . . . . 90 ILE CD1 . 17451 1 388 . 1 1 34 34 ILE N N 15 119.90 0.15 . 1 . . . . 90 ILE N . 17451 1 389 . 1 1 35 35 THR H H 1 8.42 0.02 . 1 . . . . 91 THR H . 17451 1 390 . 1 1 35 35 THR HA H 1 4.39 0.02 . 1 . . . . 91 THR HA . 17451 1 391 . 1 1 35 35 THR HB H 1 4.70 0.02 . 1 . . . . 91 THR HB . 17451 1 392 . 1 1 35 35 THR HG21 H 1 1.37 0.02 . 1 . . . . 91 THR HG2 . 17451 1 393 . 1 1 35 35 THR HG22 H 1 1.37 0.02 . 1 . . . . 91 THR HG2 . 17451 1 394 . 1 1 35 35 THR HG23 H 1 1.37 0.02 . 1 . . . . 91 THR HG2 . 17451 1 395 . 1 1 35 35 THR C C 13 174.50 0.25 . 1 . . . . 91 THR C . 17451 1 396 . 1 1 35 35 THR CA C 13 60.38 0.25 . 1 . . . . 91 THR CA . 17451 1 397 . 1 1 35 35 THR CB C 13 70.88 0.25 . 1 . . . . 91 THR CB . 17451 1 398 . 1 1 35 35 THR CG2 C 13 21.59 0.25 . 1 . . . . 91 THR CG2 . 17451 1 399 . 1 1 35 35 THR N N 15 118.20 0.15 . 1 . . . . 91 THR N . 17451 1 400 . 1 1 36 36 LYS H H 1 8.78 0.02 . 1 . . . . 92 LYS H . 17451 1 401 . 1 1 36 36 LYS HA H 1 3.37 0.02 . 1 . . . . 92 LYS HA . 17451 1 402 . 1 1 36 36 LYS HB2 H 1 2.01 0.02 . 2 . . . . 92 LYS HB2 . 17451 1 403 . 1 1 36 36 LYS HB3 H 1 1.81 0.02 . 2 . . . . 92 LYS HB3 . 17451 1 404 . 1 1 36 36 LYS HG2 H 1 1.34 0.02 . 2 . . . . 92 LYS HG2 . 17451 1 405 . 1 1 36 36 LYS HG3 H 1 1.09 0.02 . 2 . . . . 92 LYS HG3 . 17451 1 406 . 1 1 36 36 LYS HD2 H 1 1.74 0.02 . 2 . . . . 92 LYS HD2 . 17451 1 407 . 1 1 36 36 LYS HD3 H 1 1.74 0.02 . 2 . . . . 92 LYS HD3 . 17451 1 408 . 1 1 36 36 LYS HE2 H 1 2.89 0.02 . 2 . . . . 92 LYS HE2 . 17451 1 409 . 1 1 36 36 LYS HE3 H 1 2.72 0.02 . 2 . . . . 92 LYS HE3 . 17451 1 410 . 1 1 36 36 LYS C C 13 178.80 0.25 . 1 . . . . 92 LYS C . 17451 1 411 . 1 1 36 36 LYS CA C 13 59.87 0.25 . 1 . . . . 92 LYS CA . 17451 1 412 . 1 1 36 36 LYS CB C 13 33.08 0.25 . 1 . . . . 92 LYS CB . 17451 1 413 . 1 1 36 36 LYS CG C 13 25.20 0.25 . 1 . . . . 92 LYS CG . 17451 1 414 . 1 1 36 36 LYS CD C 13 29.84 0.25 . 1 . . . . 92 LYS CD . 17451 1 415 . 1 1 36 36 LYS CE C 13 42.18 0.25 . 1 . . . . 92 LYS CE . 17451 1 416 . 1 1 36 36 LYS N N 15 122.70 0.15 . 1 . . . . 92 LYS N . 17451 1 417 . 1 1 37 37 GLN H H 1 8.66 0.02 . 1 . . . . 93 GLN H . 17451 1 418 . 1 1 37 37 GLN HA H 1 3.66 0.02 . 1 . . . . 93 GLN HA . 17451 1 419 . 1 1 37 37 GLN HB2 H 1 2.14 0.02 . 2 . . . . 93 GLN HB2 . 17451 1 420 . 1 1 37 37 GLN HB3 H 1 1.85 0.02 . 2 . . . . 93 GLN HB3 . 17451 1 421 . 1 1 37 37 GLN HG2 H 1 2.43 0.02 . 2 . . . . 93 GLN HG2 . 17451 1 422 . 1 1 37 37 GLN HG3 H 1 2.10 0.02 . 2 . . . . 93 GLN HG3 . 17451 1 423 . 1 1 37 37 GLN HE21 H 1 7.19 0.02 . 2 . . . . 93 GLN HE21 . 17451 1 424 . 1 1 37 37 GLN HE22 H 1 6.71 0.02 . 2 . . . . 93 GLN HE22 . 17451 1 425 . 1 1 37 37 GLN C C 13 177.00 0.25 . 1 . . . . 93 GLN C . 17451 1 426 . 1 1 37 37 GLN CA C 13 59.62 0.25 . 1 . . . . 93 GLN CA . 17451 1 427 . 1 1 37 37 GLN CB C 13 27.46 0.25 . 1 . . . . 93 GLN CB . 17451 1 428 . 1 1 37 37 GLN CG C 13 32.41 0.25 . 1 . . . . 93 GLN CG . 17451 1 429 . 1 1 37 37 GLN N N 15 117.50 0.15 . 1 . . . . 93 GLN N . 17451 1 430 . 1 1 37 37 GLN NE2 N 15 110.90 0.15 . 1 . . . . 93 GLN NE2 . 17451 1 431 . 1 1 38 38 SER H H 1 7.79 0.02 . 1 . . . . 94 SER H . 17451 1 432 . 1 1 38 38 SER HA H 1 4.03 0.02 . 1 . . . . 94 SER HA . 17451 1 433 . 1 1 38 38 SER HB2 H 1 3.92 0.02 . 2 . . . . 94 SER HB2 . 17451 1 434 . 1 1 38 38 SER HB3 H 1 3.70 0.02 . 2 . . . . 94 SER HB3 . 17451 1 435 . 1 1 38 38 SER C C 13 177.00 0.25 . 1 . . . . 94 SER C . 17451 1 436 . 1 1 38 38 SER CA C 13 61.86 0.25 . 1 . . . . 94 SER CA . 17451 1 437 . 1 1 38 38 SER CB C 13 62.05 0.25 . 1 . . . . 94 SER CB . 17451 1 438 . 1 1 38 38 SER N N 15 115.30 0.15 . 1 . . . . 94 SER N . 17451 1 439 . 1 1 39 39 ALA H H 1 7.99 0.02 . 1 . . . . 95 ALA H . 17451 1 440 . 1 1 39 39 ALA HA H 1 3.59 0.02 . 1 . . . . 95 ALA HA . 17451 1 441 . 1 1 39 39 ALA HB1 H 1 0.56 0.02 . 1 . . . . 95 ALA HB . 17451 1 442 . 1 1 39 39 ALA HB2 H 1 0.56 0.02 . 1 . . . . 95 ALA HB . 17451 1 443 . 1 1 39 39 ALA HB3 H 1 0.56 0.02 . 1 . . . . 95 ALA HB . 17451 1 444 . 1 1 39 39 ALA C C 13 178.50 0.25 . 1 . . . . 95 ALA C . 17451 1 445 . 1 1 39 39 ALA CA C 13 54.66 0.25 . 1 . . . . 95 ALA CA . 17451 1 446 . 1 1 39 39 ALA CB C 13 16.66 0.25 . 1 . . . . 95 ALA CB . 17451 1 447 . 1 1 39 39 ALA N N 15 124.20 0.15 . 1 . . . . 95 ALA N . 17451 1 448 . 1 1 40 40 CYS H H 1 7.94 0.02 . 1 . . . . 96 CYS H . 17451 1 449 . 1 1 40 40 CYS HA H 1 3.76 0.02 . 1 . . . . 96 CYS HA . 17451 1 450 . 1 1 40 40 CYS HB2 H 1 2.93 0.02 . 2 . . . . 96 CYS HB2 . 17451 1 451 . 1 1 40 40 CYS HB3 H 1 2.48 0.02 . 2 . . . . 96 CYS HB3 . 17451 1 452 . 1 1 40 40 CYS C C 13 176.20 0.25 . 1 . . . . 96 CYS C . 17451 1 453 . 1 1 40 40 CYS CA C 13 64.76 0.25 . 1 . . . . 96 CYS CA . 17451 1 454 . 1 1 40 40 CYS CB C 13 26.69 0.25 . 1 . . . . 96 CYS CB . 17451 1 455 . 1 1 40 40 CYS N N 15 116.40 0.15 . 1 . . . . 96 CYS N . 17451 1 456 . 1 1 41 41 VAL H H 1 7.94 0.02 . 1 . . . . 97 VAL H . 17451 1 457 . 1 1 41 41 VAL HA H 1 3.40 0.02 . 1 . . . . 97 VAL HA . 17451 1 458 . 1 1 41 41 VAL HB H 1 2.04 0.02 . 1 . . . . 97 VAL HB . 17451 1 459 . 1 1 41 41 VAL HG11 H 1 1.02 0.02 . 2 . . . . 97 VAL HG1 . 17451 1 460 . 1 1 41 41 VAL HG12 H 1 1.02 0.02 . 2 . . . . 97 VAL HG1 . 17451 1 461 . 1 1 41 41 VAL HG13 H 1 1.02 0.02 . 2 . . . . 97 VAL HG1 . 17451 1 462 . 1 1 41 41 VAL HG21 H 1 0.86 0.02 . 2 . . . . 97 VAL HG2 . 17451 1 463 . 1 1 41 41 VAL HG22 H 1 0.86 0.02 . 2 . . . . 97 VAL HG2 . 17451 1 464 . 1 1 41 41 VAL HG23 H 1 0.86 0.02 . 2 . . . . 97 VAL HG2 . 17451 1 465 . 1 1 41 41 VAL C C 13 178.20 0.25 . 1 . . . . 97 VAL C . 17451 1 466 . 1 1 41 41 VAL CA C 13 66.57 0.25 . 1 . . . . 97 VAL CA . 17451 1 467 . 1 1 41 41 VAL CB C 13 31.48 0.25 . 1 . . . . 97 VAL CB . 17451 1 468 . 1 1 41 41 VAL CG1 C 13 22.58 0.25 . 2 . . . . 97 VAL CG1 . 17451 1 469 . 1 1 41 41 VAL CG2 C 13 20.83 0.25 . 2 . . . . 97 VAL CG2 . 17451 1 470 . 1 1 41 41 VAL N N 15 120.90 0.15 . 1 . . . . 97 VAL N . 17451 1 471 . 1 1 42 42 ALA H H 1 7.97 0.02 . 1 . . . . 98 ALA H . 17451 1 472 . 1 1 42 42 ALA HA H 1 3.97 0.02 . 1 . . . . 98 ALA HA . 17451 1 473 . 1 1 42 42 ALA HB1 H 1 1.40 0.02 . 1 . . . . 98 ALA HB . 17451 1 474 . 1 1 42 42 ALA HB2 H 1 1.40 0.02 . 1 . . . . 98 ALA HB . 17451 1 475 . 1 1 42 42 ALA HB3 H 1 1.40 0.02 . 1 . . . . 98 ALA HB . 17451 1 476 . 1 1 42 42 ALA C C 13 178.60 0.25 . 1 . . . . 98 ALA C . 17451 1 477 . 1 1 42 42 ALA CA C 13 54.94 0.25 . 1 . . . . 98 ALA CA . 17451 1 478 . 1 1 42 42 ALA CB C 13 16.96 0.25 . 1 . . . . 98 ALA CB . 17451 1 479 . 1 1 42 42 ALA N N 15 121.90 0.15 . 1 . . . . 98 ALA N . 17451 1 480 . 1 1 43 43 MET H H 1 8.41 0.02 . 1 . . . . 99 MET H . 17451 1 481 . 1 1 43 43 MET HA H 1 3.93 0.02 . 1 . . . . 99 MET HA . 17451 1 482 . 1 1 43 43 MET HB2 H 1 2.06 0.02 . 2 . . . . 99 MET HB2 . 17451 1 483 . 1 1 43 43 MET HB3 H 1 1.95 0.02 . 2 . . . . 99 MET HB3 . 17451 1 484 . 1 1 43 43 MET HG2 H 1 2.19 0.02 . 2 . . . . 99 MET HG2 . 17451 1 485 . 1 1 43 43 MET HG3 H 1 2.23 0.02 . 2 . . . . 99 MET HG3 . 17451 1 486 . 1 1 43 43 MET HE1 H 1 1.75 0.02 . 1 . . . . 99 MET HE3 . 17451 1 487 . 1 1 43 43 MET HE2 H 1 1.75 0.02 . 1 . . . . 99 MET HE2 . 17451 1 488 . 1 1 43 43 MET HE3 H 1 1.75 0.02 . 1 . . . . 99 MET HE3 . 17451 1 489 . 1 1 43 43 MET C C 13 176.70 0.25 . 1 . . . . 99 MET C . 17451 1 490 . 1 1 43 43 MET CA C 13 57.47 0.25 . 1 . . . . 99 MET CA . 17451 1 491 . 1 1 43 43 MET CB C 13 31.35 0.25 . 1 . . . . 99 MET CB . 17451 1 492 . 1 1 43 43 MET CG C 13 34.81 0.25 . 1 . . . . 99 MET CG . 17451 1 493 . 1 1 43 43 MET CE C 13 17.89 0.25 . 1 . . . . 99 MET CE . 17451 1 494 . 1 1 43 43 MET N N 15 118.00 0.15 . 1 . . . . 99 MET N . 17451 1 495 . 1 1 44 44 SER H H 1 7.57 0.02 . 1 . . . . 100 SER H . 17451 1 496 . 1 1 44 44 SER HA H 1 3.92 0.02 . 1 . . . . 100 SER HA . 17451 1 497 . 1 1 44 44 SER HB2 H 1 3.96 0.02 . 2 . . . . 100 SER HB2 . 17451 1 498 . 1 1 44 44 SER HB3 H 1 3.83 0.02 . 2 . . . . 100 SER HB3 . 17451 1 499 . 1 1 44 44 SER C C 13 176.80 0.25 . 1 . . . . 100 SER C . 17451 1 500 . 1 1 44 44 SER CA C 13 61.26 0.25 . 1 . . . . 100 SER CA . 17451 1 501 . 1 1 44 44 SER CB C 13 62.47 0.25 . 1 . . . . 100 SER CB . 17451 1 502 . 1 1 44 44 SER N N 15 112.20 0.15 . 1 . . . . 100 SER N . 17451 1 503 . 1 1 45 45 LYS H H 1 7.79 0.02 . 1 . . . . 101 LYS H . 17451 1 504 . 1 1 45 45 LYS HA H 1 4.04 0.02 . 1 . . . . 101 LYS HA . 17451 1 505 . 1 1 45 45 LYS HB2 H 1 2.02 0.02 . 2 . . . . 101 LYS HB2 . 17451 1 506 . 1 1 45 45 LYS HB3 H 1 1.87 0.02 . 2 . . . . 101 LYS HB3 . 17451 1 507 . 1 1 45 45 LYS HG2 H 1 1.59 0.02 . 2 . . . . 101 LYS HG2 . 17451 1 508 . 1 1 45 45 LYS HG3 H 1 1.41 0.02 . 2 . . . . 101 LYS HG3 . 17451 1 509 . 1 1 45 45 LYS HD2 H 1 1.58 0.02 . 2 . . . . 101 LYS HD2 . 17451 1 510 . 1 1 45 45 LYS HD3 H 1 1.58 0.02 . 2 . . . . 101 LYS HD3 . 17451 1 511 . 1 1 45 45 LYS HE2 H 1 2.84 0.02 . 2 . . . . 101 LYS HE2 . 17451 1 512 . 1 1 45 45 LYS HE3 H 1 2.82 0.02 . 2 . . . . 101 LYS HE3 . 17451 1 513 . 1 1 45 45 LYS C C 13 179.60 0.25 . 1 . . . . 101 LYS C . 17451 1 514 . 1 1 45 45 LYS CA C 13 59.26 0.25 . 1 . . . . 101 LYS CA . 17451 1 515 . 1 1 45 45 LYS CB C 13 31.57 0.25 . 1 . . . . 101 LYS CB . 17451 1 516 . 1 1 45 45 LYS CG C 13 25.33 0.25 . 1 . . . . 101 LYS CG . 17451 1 517 . 1 1 45 45 LYS CD C 13 28.83 0.25 . 1 . . . . 101 LYS CD . 17451 1 518 . 1 1 45 45 LYS CE C 13 41.58 0.25 . 1 . . . . 101 LYS CE . 17451 1 519 . 1 1 45 45 LYS N N 15 119.10 0.15 . 1 . . . . 101 LYS N . 17451 1 520 . 1 1 46 46 LEU H H 1 8.40 0.02 . 1 . . . . 102 LEU H . 17451 1 521 . 1 1 46 46 LEU HA H 1 3.90 0.02 . 1 . . . . 102 LEU HA . 17451 1 522 . 1 1 46 46 LEU HB2 H 1 1.85 0.02 . 2 . . . . 102 LEU HB2 . 17451 1 523 . 1 1 46 46 LEU HB3 H 1 1.15 0.02 . 2 . . . . 102 LEU HB3 . 17451 1 524 . 1 1 46 46 LEU HG H 1 1.20 0.02 . 1 . . . . 102 LEU HG . 17451 1 525 . 1 1 46 46 LEU HD11 H 1 0.52 0.02 . 2 . . . . 102 LEU HD1 . 17451 1 526 . 1 1 46 46 LEU HD12 H 1 0.52 0.02 . 2 . . . . 102 LEU HD1 . 17451 1 527 . 1 1 46 46 LEU HD13 H 1 0.52 0.02 . 2 . . . . 102 LEU HD1 . 17451 1 528 . 1 1 46 46 LEU HD21 H 1 0.21 0.02 . 2 . . . . 102 LEU HD2 . 17451 1 529 . 1 1 46 46 LEU HD22 H 1 0.21 0.02 . 2 . . . . 102 LEU HD2 . 17451 1 530 . 1 1 46 46 LEU HD23 H 1 0.21 0.02 . 2 . . . . 102 LEU HD2 . 17451 1 531 . 1 1 46 46 LEU C C 13 178.70 0.25 . 1 . . . . 102 LEU C . 17451 1 532 . 1 1 46 46 LEU CA C 13 57.61 0.25 . 1 . . . . 102 LEU CA . 17451 1 533 . 1 1 46 46 LEU CB C 13 41.06 0.25 . 1 . . . . 102 LEU CB . 17451 1 534 . 1 1 46 46 LEU CG C 13 26.54 0.25 . 1 . . . . 102 LEU CG . 17451 1 535 . 1 1 46 46 LEU CD1 C 13 26.50 0.25 . 2 . . . . 102 LEU CD1 . 17451 1 536 . 1 1 46 46 LEU CD2 C 13 22.08 0.25 . 2 . . . . 102 LEU CD2 . 17451 1 537 . 1 1 46 46 LEU N N 15 123.20 0.15 . 1 . . . . 102 LEU N . 17451 1 538 . 1 1 47 47 LEU H H 1 8.62 0.02 . 1 . . . . 103 LEU H . 17451 1 539 . 1 1 47 47 LEU HA H 1 3.82 0.02 . 1 . . . . 103 LEU HA . 17451 1 540 . 1 1 47 47 LEU HB2 H 1 2.09 0.02 . 2 . . . . 103 LEU HB2 . 17451 1 541 . 1 1 47 47 LEU HB3 H 1 1.27 0.02 . 2 . . . . 103 LEU HB3 . 17451 1 542 . 1 1 47 47 LEU HG H 1 2.01 0.02 . 1 . . . . 103 LEU HG . 17451 1 543 . 1 1 47 47 LEU HD11 H 1 0.63 0.02 . 2 . . . . 103 LEU HD1 . 17451 1 544 . 1 1 47 47 LEU HD12 H 1 0.63 0.02 . 2 . . . . 103 LEU HD1 . 17451 1 545 . 1 1 47 47 LEU HD13 H 1 0.63 0.02 . 2 . . . . 103 LEU HD1 . 17451 1 546 . 1 1 47 47 LEU HD21 H 1 0.78 0.02 . 2 . . . . 103 LEU HD2 . 17451 1 547 . 1 1 47 47 LEU HD22 H 1 0.78 0.02 . 2 . . . . 103 LEU HD2 . 17451 1 548 . 1 1 47 47 LEU HD23 H 1 0.78 0.02 . 2 . . . . 103 LEU HD2 . 17451 1 549 . 1 1 47 47 LEU C C 13 179.20 0.25 . 1 . . . . 103 LEU C . 17451 1 550 . 1 1 47 47 LEU CA C 13 57.63 0.25 . 1 . . . . 103 LEU CA . 17451 1 551 . 1 1 47 47 LEU CB C 13 41.45 0.25 . 1 . . . . 103 LEU CB . 17451 1 552 . 1 1 47 47 LEU CG C 13 26.03 0.25 . 1 . . . . 103 LEU CG . 17451 1 553 . 1 1 47 47 LEU CD1 C 13 26.18 0.25 . 2 . . . . 103 LEU CD1 . 17451 1 554 . 1 1 47 47 LEU CD2 C 13 22.60 0.25 . 2 . . . . 103 LEU CD2 . 17451 1 555 . 1 1 47 47 LEU N N 15 116.80 0.15 . 1 . . . . 103 LEU N . 17451 1 556 . 1 1 48 48 THR H H 1 7.58 0.02 . 1 . . . . 104 THR H . 17451 1 557 . 1 1 48 48 THR HA H 1 4.01 0.02 . 1 . . . . 104 THR HA . 17451 1 558 . 1 1 48 48 THR HB H 1 4.36 0.02 . 1 . . . . 104 THR HB . 17451 1 559 . 1 1 48 48 THR HG21 H 1 1.28 0.02 . 1 . . . . 104 THR HG2 . 17451 1 560 . 1 1 48 48 THR HG22 H 1 1.28 0.02 . 1 . . . . 104 THR HG2 . 17451 1 561 . 1 1 48 48 THR HG23 H 1 1.28 0.02 . 1 . . . . 104 THR HG2 . 17451 1 562 . 1 1 48 48 THR C C 13 175.10 0.25 . 1 . . . . 104 THR C . 17451 1 563 . 1 1 48 48 THR CA C 13 65.17 0.25 . 1 . . . . 104 THR CA . 17451 1 564 . 1 1 48 48 THR CB C 13 68.99 0.25 . 1 . . . . 104 THR CB . 17451 1 565 . 1 1 48 48 THR CG2 C 13 21.64 0.25 . 1 . . . . 104 THR CG2 . 17451 1 566 . 1 1 48 48 THR N N 15 112.70 0.15 . 1 . . . . 104 THR N . 17451 1 567 . 1 1 49 49 GLU H H 1 7.57 0.02 . 1 . . . . 105 GLU H . 17451 1 568 . 1 1 49 49 GLU HA H 1 4.22 0.02 . 1 . . . . 105 GLU HA . 17451 1 569 . 1 1 49 49 GLU HB2 H 1 2.28 0.02 . 2 . . . . 105 GLU HB2 . 17451 1 570 . 1 1 49 49 GLU HB3 H 1 2.11 0.02 . 2 . . . . 105 GLU HB3 . 17451 1 571 . 1 1 49 49 GLU HG2 H 1 2.35 0.02 . 2 . . . . 105 GLU HG2 . 17451 1 572 . 1 1 49 49 GLU HG3 H 1 2.27 0.02 . 2 . . . . 105 GLU HG3 . 17451 1 573 . 1 1 49 49 GLU C C 13 176.50 0.25 . 1 . . . . 105 GLU C . 17451 1 574 . 1 1 49 49 GLU CA C 13 56.42 0.25 . 1 . . . . 105 GLU CA . 17451 1 575 . 1 1 49 49 GLU CB C 13 29.76 0.25 . 1 . . . . 105 GLU CB . 17451 1 576 . 1 1 49 49 GLU CG C 13 35.87 0.25 . 1 . . . . 105 GLU CG . 17451 1 577 . 1 1 49 49 GLU N N 15 119.20 0.15 . 1 . . . . 105 GLU N . 17451 1 578 . 1 1 50 50 LEU H H 1 7.32 0.02 . 1 . . . . 106 LEU H . 17451 1 579 . 1 1 50 50 LEU HA H 1 4.37 0.02 . 1 . . . . 106 LEU HA . 17451 1 580 . 1 1 50 50 LEU HB2 H 1 1.89 0.02 . 2 . . . . 106 LEU HB2 . 17451 1 581 . 1 1 50 50 LEU HB3 H 1 1.17 0.02 . 2 . . . . 106 LEU HB3 . 17451 1 582 . 1 1 50 50 LEU HG H 1 1.90 0.02 . 1 . . . . 106 LEU HG . 17451 1 583 . 1 1 50 50 LEU HD11 H 1 0.76 0.02 . 2 . . . . 106 LEU HD1 . 17451 1 584 . 1 1 50 50 LEU HD12 H 1 0.76 0.02 . 2 . . . . 106 LEU HD1 . 17451 1 585 . 1 1 50 50 LEU HD13 H 1 0.76 0.02 . 2 . . . . 106 LEU HD1 . 17451 1 586 . 1 1 50 50 LEU HD21 H 1 0.89 0.02 . 2 . . . . 106 LEU HD2 . 17451 1 587 . 1 1 50 50 LEU HD22 H 1 0.89 0.02 . 2 . . . . 106 LEU HD2 . 17451 1 588 . 1 1 50 50 LEU HD23 H 1 0.89 0.02 . 2 . . . . 106 LEU HD2 . 17451 1 589 . 1 1 50 50 LEU C C 13 174.30 0.25 . 1 . . . . 106 LEU C . 17451 1 590 . 1 1 50 50 LEU CA C 13 53.82 0.25 . 1 . . . . 106 LEU CA . 17451 1 591 . 1 1 50 50 LEU CB C 13 43.33 0.25 . 1 . . . . 106 LEU CB . 17451 1 592 . 1 1 50 50 LEU CG C 13 25.96 0.25 . 1 . . . . 106 LEU CG . 17451 1 593 . 1 1 50 50 LEU CD1 C 13 25.84 0.25 . 2 . . . . 106 LEU CD1 . 17451 1 594 . 1 1 50 50 LEU CD2 C 13 23.41 0.25 . 2 . . . . 106 LEU CD2 . 17451 1 595 . 1 1 50 50 LEU N N 15 119.60 0.15 . 1 . . . . 106 LEU N . 17451 1 596 . 1 1 51 51 ASN H H 1 8.76 0.02 . 1 . . . . 107 ASN H . 17451 1 597 . 1 1 51 51 ASN HA H 1 4.88 0.02 . 1 . . . . 107 ASN HA . 17451 1 598 . 1 1 51 51 ASN HB2 H 1 3.04 0.02 . 2 . . . . 107 ASN HB2 . 17451 1 599 . 1 1 51 51 ASN HB3 H 1 2.73 0.02 . 2 . . . . 107 ASN HB3 . 17451 1 600 . 1 1 51 51 ASN HD21 H 1 7.58 0.02 . 2 . . . . 107 ASN HD21 . 17451 1 601 . 1 1 51 51 ASN HD22 H 1 7.09 0.02 . 2 . . . . 107 ASN HD22 . 17451 1 602 . 1 1 51 51 ASN C C 13 176.60 0.25 . 1 . . . . 107 ASN C . 17451 1 603 . 1 1 51 51 ASN CA C 13 51.42 0.25 . 1 . . . . 107 ASN CA . 17451 1 604 . 1 1 51 51 ASN CB C 13 39.17 0.25 . 1 . . . . 107 ASN CB . 17451 1 605 . 1 1 51 51 ASN N N 15 119.60 0.15 . 1 . . . . 107 ASN N . 17451 1 606 . 1 1 51 51 ASN ND2 N 15 113.40 0.15 . 1 . . . . 107 ASN ND2 . 17451 1 607 . 1 1 52 52 SER H H 1 9.02 0.02 . 1 . . . . 108 SER H . 17451 1 608 . 1 1 52 52 SER HA H 1 3.83 0.02 . 1 . . . . 108 SER HA . 17451 1 609 . 1 1 52 52 SER HB2 H 1 3.83 0.02 . 2 . . . . 108 SER HB2 . 17451 1 610 . 1 1 52 52 SER HB3 H 1 3.94 0.02 . 2 . . . . 108 SER HB3 . 17451 1 611 . 1 1 52 52 SER C C 13 176.00 0.25 . 1 . . . . 108 SER C . 17451 1 612 . 1 1 52 52 SER CA C 13 62.10 0.25 . 1 . . . . 108 SER CA . 17451 1 613 . 1 1 52 52 SER CB C 13 62.38 0.25 . 1 . . . . 108 SER CB . 17451 1 614 . 1 1 52 52 SER N N 15 121.90 0.15 . 1 . . . . 108 SER N . 17451 1 615 . 1 1 53 53 ASP H H 1 8.36 0.02 . 1 . . . . 109 ASP H . 17451 1 616 . 1 1 53 53 ASP HA H 1 4.33 0.02 . 1 . . . . 109 ASP HA . 17451 1 617 . 1 1 53 53 ASP HB2 H 1 2.68 0.02 . 2 . . . . 109 ASP HB2 . 17451 1 618 . 1 1 53 53 ASP HB3 H 1 2.57 0.02 . 2 . . . . 109 ASP HB3 . 17451 1 619 . 1 1 53 53 ASP C C 13 178.80 0.25 . 1 . . . . 109 ASP C . 17451 1 620 . 1 1 53 53 ASP CA C 13 57.51 0.25 . 1 . . . . 109 ASP CA . 17451 1 621 . 1 1 53 53 ASP CB C 13 39.67 0.25 . 1 . . . . 109 ASP CB . 17451 1 622 . 1 1 53 53 ASP N N 15 121.50 0.15 . 1 . . . . 109 ASP N . 17451 1 623 . 1 1 54 54 ASP H H 1 7.65 0.02 . 1 . . . . 110 ASP H . 17451 1 624 . 1 1 54 54 ASP HA H 1 4.37 0.02 . 1 . . . . 110 ASP HA . 17451 1 625 . 1 1 54 54 ASP HB2 H 1 2.87 0.02 . 2 . . . . 110 ASP HB2 . 17451 1 626 . 1 1 54 54 ASP HB3 H 1 2.55 0.02 . 2 . . . . 110 ASP HB3 . 17451 1 627 . 1 1 54 54 ASP C C 13 178.50 0.25 . 1 . . . . 110 ASP C . 17451 1 628 . 1 1 54 54 ASP CA C 13 56.93 0.25 . 1 . . . . 110 ASP CA . 17451 1 629 . 1 1 54 54 ASP CB C 13 39.98 0.25 . 1 . . . . 110 ASP CB . 17451 1 630 . 1 1 54 54 ASP N N 15 119.80 0.15 . 1 . . . . 110 ASP N . 17451 1 631 . 1 1 55 55 ILE H H 1 7.33 0.02 . 1 . . . . 111 ILE H . 17451 1 632 . 1 1 55 55 ILE HA H 1 3.50 0.02 . 1 . . . . 111 ILE HA . 17451 1 633 . 1 1 55 55 ILE HB H 1 1.84 0.02 . 1 . . . . 111 ILE HB . 17451 1 634 . 1 1 55 55 ILE HG12 H 1 1.58 0.02 . 2 . . . . 111 ILE HG12 . 17451 1 635 . 1 1 55 55 ILE HG13 H 1 1.15 0.02 . 2 . . . . 111 ILE HG13 . 17451 1 636 . 1 1 55 55 ILE HG21 H 1 0.92 0.02 . 1 . . . . 111 ILE HG2 . 17451 1 637 . 1 1 55 55 ILE HG22 H 1 0.92 0.02 . 1 . . . . 111 ILE HG2 . 17451 1 638 . 1 1 55 55 ILE HG23 H 1 0.92 0.02 . 1 . . . . 111 ILE HG2 . 17451 1 639 . 1 1 55 55 ILE HD11 H 1 0.77 0.02 . 1 . . . . 111 ILE HD1 . 17451 1 640 . 1 1 55 55 ILE HD12 H 1 0.77 0.02 . 1 . . . . 111 ILE HD1 . 17451 1 641 . 1 1 55 55 ILE HD13 H 1 0.77 0.02 . 1 . . . . 111 ILE HD1 . 17451 1 642 . 1 1 55 55 ILE C C 13 177.40 0.25 . 1 . . . . 111 ILE C . 17451 1 643 . 1 1 55 55 ILE CA C 13 63.50 0.25 . 1 . . . . 111 ILE CA . 17451 1 644 . 1 1 55 55 ILE CB C 13 36.04 0.25 . 1 . . . . 111 ILE CB . 17451 1 645 . 1 1 55 55 ILE CG1 C 13 28.39 0.25 . 1 . . . . 111 ILE CG1 . 17451 1 646 . 1 1 55 55 ILE CG2 C 13 18.40 0.25 . 1 . . . . 111 ILE CG2 . 17451 1 647 . 1 1 55 55 ILE CD1 C 13 13.22 0.25 . 1 . . . . 111 ILE CD1 . 17451 1 648 . 1 1 55 55 ILE N N 15 119.60 0.15 . 1 . . . . 111 ILE N . 17451 1 649 . 1 1 56 56 LYS H H 1 8.40 0.02 . 1 . . . . 112 LYS H . 17451 1 650 . 1 1 56 56 LYS HA H 1 3.51 0.02 . 1 . . . . 112 LYS HA . 17451 1 651 . 1 1 56 56 LYS HB2 H 1 1.88 0.02 . 2 . . . . 112 LYS HB2 . 17451 1 652 . 1 1 56 56 LYS HB3 H 1 1.84 0.02 . 2 . . . . 112 LYS HB3 . 17451 1 653 . 1 1 56 56 LYS HG2 H 1 1.58 0.02 . 2 . . . . 112 LYS HG2 . 17451 1 654 . 1 1 56 56 LYS HG3 H 1 1.20 0.02 . 2 . . . . 112 LYS HG3 . 17451 1 655 . 1 1 56 56 LYS HD2 H 1 1.66 0.02 . 2 . . . . 112 LYS HD2 . 17451 1 656 . 1 1 56 56 LYS HD3 H 1 1.62 0.02 . 2 . . . . 112 LYS HD3 . 17451 1 657 . 1 1 56 56 LYS HE2 H 1 2.91 0.02 . 2 . . . . 112 LYS HE2 . 17451 1 658 . 1 1 56 56 LYS HE3 H 1 2.75 0.02 . 2 . . . . 112 LYS HE3 . 17451 1 659 . 1 1 56 56 LYS C C 13 177.20 0.25 . 1 . . . . 112 LYS C . 17451 1 660 . 1 1 56 56 LYS CA C 13 60.38 0.25 . 1 . . . . 112 LYS CA . 17451 1 661 . 1 1 56 56 LYS CB C 13 31.97 0.25 . 1 . . . . 112 LYS CB . 17451 1 662 . 1 1 56 56 LYS CG C 13 26.83 0.25 . 1 . . . . 112 LYS CG . 17451 1 663 . 1 1 56 56 LYS CD C 13 29.60 0.25 . 1 . . . . 112 LYS CD . 17451 1 664 . 1 1 56 56 LYS CE C 13 41.96 0.25 . 1 . . . . 112 LYS CE . 17451 1 665 . 1 1 56 56 LYS N N 15 121.60 0.15 . 1 . . . . 112 LYS N . 17451 1 666 . 1 1 57 57 LYS H H 1 7.20 0.02 . 1 . . . . 113 LYS H . 17451 1 667 . 1 1 57 57 LYS HA H 1 3.95 0.02 . 1 . . . . 113 LYS HA . 17451 1 668 . 1 1 57 57 LYS HB2 H 1 1.82 0.02 . 2 . . . . 113 LYS HB2 . 17451 1 669 . 1 1 57 57 LYS HB3 H 1 1.82 0.02 . 2 . . . . 113 LYS HB3 . 17451 1 670 . 1 1 57 57 LYS HG2 H 1 1.54 0.02 . 2 . . . . 113 LYS HG2 . 17451 1 671 . 1 1 57 57 LYS HG3 H 1 1.36 0.02 . 2 . . . . 113 LYS HG3 . 17451 1 672 . 1 1 57 57 LYS HD2 H 1 1.66 0.02 . 2 . . . . 113 LYS HD2 . 17451 1 673 . 1 1 57 57 LYS HD3 H 1 1.66 0.02 . 2 . . . . 113 LYS HD3 . 17451 1 674 . 1 1 57 57 LYS HE2 H 1 2.92 0.02 . 2 . . . . 113 LYS HE2 . 17451 1 675 . 1 1 57 57 LYS HE3 H 1 2.92 0.02 . 2 . . . . 113 LYS HE3 . 17451 1 676 . 1 1 57 57 LYS C C 13 178.90 0.25 . 1 . . . . 113 LYS C . 17451 1 677 . 1 1 57 57 LYS CA C 13 59.16 0.25 . 1 . . . . 113 LYS CA . 17451 1 678 . 1 1 57 57 LYS CB C 13 31.62 0.25 . 1 . . . . 113 LYS CB . 17451 1 679 . 1 1 57 57 LYS CG C 13 24.91 0.25 . 1 . . . . 113 LYS CG . 17451 1 680 . 1 1 57 57 LYS CD C 13 28.73 0.25 . 1 . . . . 113 LYS CD . 17451 1 681 . 1 1 57 57 LYS CE C 13 41.61 0.25 . 1 . . . . 113 LYS CE . 17451 1 682 . 1 1 57 57 LYS N N 15 117.00 0.15 . 1 . . . . 113 LYS N . 17451 1 683 . 1 1 58 58 LEU H H 1 6.91 0.02 . 1 . . . . 114 LEU H . 17451 1 684 . 1 1 58 58 LEU HA H 1 3.90 0.02 . 1 . . . . 114 LEU HA . 17451 1 685 . 1 1 58 58 LEU HB2 H 1 1.21 0.02 . 2 . . . . 114 LEU HB2 . 17451 1 686 . 1 1 58 58 LEU HB3 H 1 1.46 0.02 . 2 . . . . 114 LEU HB3 . 17451 1 687 . 1 1 58 58 LEU HG H 1 1.69 0.02 . 1 . . . . 114 LEU HG . 17451 1 688 . 1 1 58 58 LEU HD11 H 1 0.80 0.02 . 2 . . . . 114 LEU HD1 . 17451 1 689 . 1 1 58 58 LEU HD12 H 1 0.80 0.02 . 2 . . . . 114 LEU HD1 . 17451 1 690 . 1 1 58 58 LEU HD13 H 1 0.80 0.02 . 2 . . . . 114 LEU HD1 . 17451 1 691 . 1 1 58 58 LEU HD21 H 1 0.77 0.02 . 2 . . . . 114 LEU HD2 . 17451 1 692 . 1 1 58 58 LEU HD22 H 1 0.77 0.02 . 2 . . . . 114 LEU HD2 . 17451 1 693 . 1 1 58 58 LEU HD23 H 1 0.77 0.02 . 2 . . . . 114 LEU HD2 . 17451 1 694 . 1 1 58 58 LEU C C 13 179.90 0.25 . 1 . . . . 114 LEU C . 17451 1 695 . 1 1 58 58 LEU CA C 13 57.23 0.25 . 1 . . . . 114 LEU CA . 17451 1 696 . 1 1 58 58 LEU CB C 13 40.65 0.25 . 1 . . . . 114 LEU CB . 17451 1 697 . 1 1 58 58 LEU CG C 13 26.15 0.25 . 1 . . . . 114 LEU CG . 17451 1 698 . 1 1 58 58 LEU CD1 C 13 25.17 0.25 . 2 . . . . 114 LEU CD1 . 17451 1 699 . 1 1 58 58 LEU CD2 C 13 22.27 0.25 . 2 . . . . 114 LEU CD2 . 17451 1 700 . 1 1 58 58 LEU N N 15 118.00 0.15 . 1 . . . . 114 LEU N . 17451 1 701 . 1 1 59 59 ARG H H 1 7.97 0.02 . 1 . . . . 115 ARG H . 17451 1 702 . 1 1 59 59 ARG HA H 1 3.51 0.02 . 1 . . . . 115 ARG HA . 17451 1 703 . 1 1 59 59 ARG HB2 H 1 2.20 0.02 . 2 . . . . 115 ARG HB2 . 17451 1 704 . 1 1 59 59 ARG HB3 H 1 1.35 0.02 . 2 . . . . 115 ARG HB3 . 17451 1 705 . 1 1 59 59 ARG HG2 H 1 1.81 0.02 . 2 . . . . 115 ARG HG2 . 17451 1 706 . 1 1 59 59 ARG HG3 H 1 1.63 0.02 . 2 . . . . 115 ARG HG3 . 17451 1 707 . 1 1 59 59 ARG HD2 H 1 3.40 0.02 . 2 . . . . 115 ARG HD2 . 17451 1 708 . 1 1 59 59 ARG HD3 H 1 2.90 0.02 . 2 . . . . 115 ARG HD3 . 17451 1 709 . 1 1 59 59 ARG C C 13 178.10 0.25 . 1 . . . . 115 ARG C . 17451 1 710 . 1 1 59 59 ARG CA C 13 59.39 0.25 . 1 . . . . 115 ARG CA . 17451 1 711 . 1 1 59 59 ARG CB C 13 29.55 0.25 . 1 . . . . 115 ARG CB . 17451 1 712 . 1 1 59 59 ARG CG C 13 25.73 0.25 . 1 . . . . 115 ARG CG . 17451 1 713 . 1 1 59 59 ARG CD C 13 42.72 0.25 . 1 . . . . 115 ARG CD . 17451 1 714 . 1 1 59 59 ARG N N 15 121.00 0.15 . 1 . . . . 115 ARG N . 17451 1 715 . 1 1 60 60 ASP H H 1 8.40 0.02 . 1 . . . . 116 ASP H . 17451 1 716 . 1 1 60 60 ASP HA H 1 4.44 0.02 . 1 . . . . 116 ASP HA . 17451 1 717 . 1 1 60 60 ASP HB2 H 1 2.71 0.02 . 2 . . . . 116 ASP HB2 . 17451 1 718 . 1 1 60 60 ASP HB3 H 1 2.65 0.02 . 2 . . . . 116 ASP HB3 . 17451 1 719 . 1 1 60 60 ASP C C 13 176.00 0.25 . 1 . . . . 116 ASP C . 17451 1 720 . 1 1 60 60 ASP CA C 13 55.76 0.25 . 1 . . . . 116 ASP CA . 17451 1 721 . 1 1 60 60 ASP CB C 13 39.33 0.25 . 1 . . . . 116 ASP CB . 17451 1 722 . 1 1 60 60 ASP N N 15 118.30 0.15 . 1 . . . . 116 ASP N . 17451 1 723 . 1 1 61 61 ASN H H 1 7.29 0.02 . 1 . . . . 117 ASN H . 17451 1 724 . 1 1 61 61 ASN HA H 1 4.78 0.02 . 1 . . . . 117 ASN HA . 17451 1 725 . 1 1 61 61 ASN HB2 H 1 2.91 0.02 . 2 . . . . 117 ASN HB2 . 17451 1 726 . 1 1 61 61 ASN HB3 H 1 2.67 0.02 . 2 . . . . 117 ASN HB3 . 17451 1 727 . 1 1 61 61 ASN HD21 H 1 7.62 0.02 . 2 . . . . 117 ASN HD21 . 17451 1 728 . 1 1 61 61 ASN HD22 H 1 6.84 0.02 . 2 . . . . 117 ASN HD22 . 17451 1 729 . 1 1 61 61 ASN C C 13 175.30 0.25 . 1 . . . . 117 ASN C . 17451 1 730 . 1 1 61 61 ASN CA C 13 52.72 0.25 . 1 . . . . 117 ASN CA . 17451 1 731 . 1 1 61 61 ASN CB C 13 39.48 0.25 . 1 . . . . 117 ASN CB . 17451 1 732 . 1 1 61 61 ASN N N 15 116.30 0.15 . 1 . . . . 117 ASN N . 17451 1 733 . 1 1 61 61 ASN ND2 N 15 112.80 0.15 . 1 . . . . 117 ASN ND2 . 17451 1 734 . 1 1 62 62 GLU H H 1 7.37 0.02 . 1 . . . . 118 GLU H . 17451 1 735 . 1 1 62 62 GLU HA H 1 4.27 0.02 . 1 . . . . 118 GLU HA . 17451 1 736 . 1 1 62 62 GLU HB2 H 1 2.18 0.02 . 2 . . . . 118 GLU HB2 . 17451 1 737 . 1 1 62 62 GLU HB3 H 1 2.33 0.02 . 2 . . . . 118 GLU HB3 . 17451 1 738 . 1 1 62 62 GLU HG2 H 1 2.57 0.02 . 2 . . . . 118 GLU HG2 . 17451 1 739 . 1 1 62 62 GLU HG3 H 1 2.31 0.02 . 2 . . . . 118 GLU HG3 . 17451 1 740 . 1 1 62 62 GLU C C 13 176.30 0.25 . 1 . . . . 118 GLU C . 17451 1 741 . 1 1 62 62 GLU CA C 13 54.86 0.25 . 1 . . . . 118 GLU CA . 17451 1 742 . 1 1 62 62 GLU CB C 13 30.74 0.25 . 1 . . . . 118 GLU CB . 17451 1 743 . 1 1 62 62 GLU CG C 13 37.02 0.25 . 1 . . . . 118 GLU CG . 17451 1 744 . 1 1 62 62 GLU N N 15 119.80 0.15 . 1 . . . . 118 GLU N . 17451 1 745 . 1 1 63 63 GLU H H 1 8.98 0.02 . 1 . . . . 119 GLU H . 17451 1 746 . 1 1 63 63 GLU HA H 1 4.41 0.02 . 1 . . . . 119 GLU HA . 17451 1 747 . 1 1 63 63 GLU HB2 H 1 2.12 0.02 . 2 . . . . 119 GLU HB2 . 17451 1 748 . 1 1 63 63 GLU HB3 H 1 1.96 0.02 . 2 . . . . 119 GLU HB3 . 17451 1 749 . 1 1 63 63 GLU HG2 H 1 2.41 0.02 . 2 . . . . 119 GLU HG2 . 17451 1 750 . 1 1 63 63 GLU HG3 H 1 2.37 0.02 . 2 . . . . 119 GLU HG3 . 17451 1 751 . 1 1 63 63 GLU CA C 13 54.85 0.25 . 1 . . . . 119 GLU CA . 17451 1 752 . 1 1 63 63 GLU CB C 13 28.45 0.25 . 1 . . . . 119 GLU CB . 17451 1 753 . 1 1 63 63 GLU CG C 13 35.77 0.25 . 1 . . . . 119 GLU CG . 17451 1 754 . 1 1 63 63 GLU N N 15 124.70 0.15 . 1 . . . . 119 GLU N . 17451 1 755 . 1 1 64 64 PRO HA H 1 4.19 0.02 . 1 . . . . 120 PRO HA . 17451 1 756 . 1 1 64 64 PRO HB2 H 1 2.28 0.02 . 2 . . . . 120 PRO HB2 . 17451 1 757 . 1 1 64 64 PRO HB3 H 1 1.84 0.02 . 2 . . . . 120 PRO HB3 . 17451 1 758 . 1 1 64 64 PRO HG2 H 1 2.01 0.02 . 2 . . . . 120 PRO HG2 . 17451 1 759 . 1 1 64 64 PRO HG3 H 1 2.01 0.02 . 2 . . . . 120 PRO HG3 . 17451 1 760 . 1 1 64 64 PRO HD2 H 1 3.82 0.02 . 2 . . . . 120 PRO HD2 . 17451 1 761 . 1 1 64 64 PRO HD3 H 1 3.69 0.02 . 2 . . . . 120 PRO HD3 . 17451 1 762 . 1 1 64 64 PRO C C 13 177.20 0.25 . 1 . . . . 120 PRO C . 17451 1 763 . 1 1 64 64 PRO CA C 13 64.25 0.25 . 1 . . . . 120 PRO CA . 17451 1 764 . 1 1 64 64 PRO CB C 13 31.49 0.25 . 1 . . . . 120 PRO CB . 17451 1 765 . 1 1 64 64 PRO CG C 13 27.26 0.25 . 1 . . . . 120 PRO CG . 17451 1 766 . 1 1 64 64 PRO CD C 13 50.13 0.25 . 1 . . . . 120 PRO CD . 17451 1 767 . 1 1 65 65 ASN H H 1 8.51 0.02 . 1 . . . . 121 ASN H . 17451 1 768 . 1 1 65 65 ASN HA H 1 4.57 0.02 . 1 . . . . 121 ASN HA . 17451 1 769 . 1 1 65 65 ASN HB2 H 1 2.96 0.02 . 2 . . . . 121 ASN HB2 . 17451 1 770 . 1 1 65 65 ASN HB3 H 1 2.88 0.02 . 2 . . . . 121 ASN HB3 . 17451 1 771 . 1 1 65 65 ASN HD21 H 1 7.62 0.02 . 2 . . . . 121 ASN HD21 . 17451 1 772 . 1 1 65 65 ASN HD22 H 1 6.92 0.02 . 2 . . . . 121 ASN HD22 . 17451 1 773 . 1 1 65 65 ASN C C 13 174.80 0.25 . 1 . . . . 121 ASN C . 17451 1 774 . 1 1 65 65 ASN CA C 13 52.81 0.25 . 1 . . . . 121 ASN CA . 17451 1 775 . 1 1 65 65 ASN CB C 13 37.46 0.25 . 1 . . . . 121 ASN CB . 17451 1 776 . 1 1 65 65 ASN N N 15 114.50 0.15 . 1 . . . . 121 ASN N . 17451 1 777 . 1 1 65 65 ASN ND2 N 15 113.60 0.15 . 1 . . . . 121 ASN ND2 . 17451 1 778 . 1 1 66 66 SER H H 1 7.96 0.02 . 1 . . . . 122 SER H . 17451 1 779 . 1 1 66 66 SER HA H 1 4.74 0.02 . 1 . . . . 122 SER HA . 17451 1 780 . 1 1 66 66 SER HB2 H 1 4.39 0.02 . 2 . . . . 122 SER HB2 . 17451 1 781 . 1 1 66 66 SER HB3 H 1 4.01 0.02 . 2 . . . . 122 SER HB3 . 17451 1 782 . 1 1 66 66 SER CA C 13 55.39 0.25 . 1 . . . . 122 SER CA . 17451 1 783 . 1 1 66 66 SER CB C 13 65.06 0.25 . 1 . . . . 122 SER CB . 17451 1 784 . 1 1 66 66 SER N N 15 116.60 0.15 . 1 . . . . 122 SER N . 17451 1 785 . 1 1 67 67 PRO HA H 1 4.45 0.02 . 1 . . . . 123 PRO HA . 17451 1 786 . 1 1 67 67 PRO HB2 H 1 2.38 0.02 . 2 . . . . 123 PRO HB2 . 17451 1 787 . 1 1 67 67 PRO HB3 H 1 1.95 0.02 . 2 . . . . 123 PRO HB3 . 17451 1 788 . 1 1 67 67 PRO HG2 H 1 2.06 0.02 . 2 . . . . 123 PRO HG2 . 17451 1 789 . 1 1 67 67 PRO HG3 H 1 2.04 0.02 . 2 . . . . 123 PRO HG3 . 17451 1 790 . 1 1 67 67 PRO HD2 H 1 4.01 0.02 . 2 . . . . 123 PRO HD2 . 17451 1 791 . 1 1 67 67 PRO HD3 H 1 3.99 0.02 . 2 . . . . 123 PRO HD3 . 17451 1 792 . 1 1 67 67 PRO C C 13 177.70 0.25 . 1 . . . . 123 PRO C . 17451 1 793 . 1 1 67 67 PRO CA C 13 64.15 0.25 . 1 . . . . 123 PRO CA . 17451 1 794 . 1 1 67 67 PRO CB C 13 31.73 0.25 . 1 . . . . 123 PRO CB . 17451 1 795 . 1 1 67 67 PRO CG C 13 26.93 0.25 . 1 . . . . 123 PRO CG . 17451 1 796 . 1 1 67 67 PRO CD C 13 51.17 0.25 . 1 . . . . 123 PRO CD . 17451 1 797 . 1 1 68 68 LYS H H 1 8.09 0.02 . 1 . . . . 124 LYS H . 17451 1 798 . 1 1 68 68 LYS HA H 1 3.73 0.02 . 1 . . . . 124 LYS HA . 17451 1 799 . 1 1 68 68 LYS HB2 H 1 1.46 0.02 . 2 . . . . 124 LYS HB2 . 17451 1 800 . 1 1 68 68 LYS HB3 H 1 1.36 0.02 . 2 . . . . 124 LYS HB3 . 17451 1 801 . 1 1 68 68 LYS HG2 H 1 1.25 0.02 . 2 . . . . 124 LYS HG2 . 17451 1 802 . 1 1 68 68 LYS HG3 H 1 1.13 0.02 . 2 . . . . 124 LYS HG3 . 17451 1 803 . 1 1 68 68 LYS HD2 H 1 1.52 0.02 . 2 . . . . 124 LYS HD2 . 17451 1 804 . 1 1 68 68 LYS HD3 H 1 1.52 0.02 . 2 . . . . 124 LYS HD3 . 17451 1 805 . 1 1 68 68 LYS HE2 H 1 2.82 0.02 . 2 . . . . 124 LYS HE2 . 17451 1 806 . 1 1 68 68 LYS HE3 H 1 2.79 0.02 . 2 . . . . 124 LYS HE3 . 17451 1 807 . 1 1 68 68 LYS C C 13 177.50 0.25 . 1 . . . . 124 LYS C . 17451 1 808 . 1 1 68 68 LYS CA C 13 57.62 0.25 . 1 . . . . 124 LYS CA . 17451 1 809 . 1 1 68 68 LYS CB C 13 32.38 0.25 . 1 . . . . 124 LYS CB . 17451 1 810 . 1 1 68 68 LYS CG C 13 25.42 0.25 . 1 . . . . 124 LYS CG . 17451 1 811 . 1 1 68 68 LYS CD C 13 28.53 0.25 . 1 . . . . 124 LYS CD . 17451 1 812 . 1 1 68 68 LYS CE C 13 41.37 0.25 . 1 . . . . 124 LYS CE . 17451 1 813 . 1 1 68 68 LYS N N 15 116.60 0.15 . 1 . . . . 124 LYS N . 17451 1 814 . 1 1 69 69 ILE H H 1 7.43 0.02 . 1 . . . . 125 ILE H . 17451 1 815 . 1 1 69 69 ILE HA H 1 3.52 0.02 . 1 . . . . 125 ILE HA . 17451 1 816 . 1 1 69 69 ILE HB H 1 1.93 0.02 . 1 . . . . 125 ILE HB . 17451 1 817 . 1 1 69 69 ILE HG12 H 1 1.63 0.02 . 2 . . . . 125 ILE HG12 . 17451 1 818 . 1 1 69 69 ILE HG13 H 1 1.27 0.02 . 2 . . . . 125 ILE HG13 . 17451 1 819 . 1 1 69 69 ILE HG21 H 1 0.88 0.02 . 1 . . . . 125 ILE HG2 . 17451 1 820 . 1 1 69 69 ILE HG22 H 1 0.88 0.02 . 1 . . . . 125 ILE HG2 . 17451 1 821 . 1 1 69 69 ILE HG23 H 1 0.88 0.02 . 1 . . . . 125 ILE HG2 . 17451 1 822 . 1 1 69 69 ILE HD11 H 1 0.98 0.02 . 1 . . . . 125 ILE HD1 . 17451 1 823 . 1 1 69 69 ILE HD12 H 1 0.98 0.02 . 1 . . . . 125 ILE HD1 . 17451 1 824 . 1 1 69 69 ILE HD13 H 1 0.98 0.02 . 1 . . . . 125 ILE HD1 . 17451 1 825 . 1 1 69 69 ILE C C 13 177.00 0.25 . 1 . . . . 125 ILE C . 17451 1 826 . 1 1 69 69 ILE CA C 13 66.11 0.25 . 1 . . . . 125 ILE CA . 17451 1 827 . 1 1 69 69 ILE CB C 13 37.05 0.25 . 1 . . . . 125 ILE CB . 17451 1 828 . 1 1 69 69 ILE CG1 C 13 29.87 0.25 . 1 . . . . 125 ILE CG1 . 17451 1 829 . 1 1 69 69 ILE CG2 C 13 16.87 0.25 . 1 . . . . 125 ILE CG2 . 17451 1 830 . 1 1 69 69 ILE CD1 C 13 12.92 0.25 . 1 . . . . 125 ILE CD1 . 17451 1 831 . 1 1 69 69 ILE N N 15 118.40 0.15 . 1 . . . . 125 ILE N . 17451 1 832 . 1 1 70 70 ARG H H 1 7.53 0.02 . 1 . . . . 126 ARG H . 17451 1 833 . 1 1 70 70 ARG HA H 1 4.11 0.02 . 1 . . . . 126 ARG HA . 17451 1 834 . 1 1 70 70 ARG HB2 H 1 1.88 0.02 . 2 . . . . 126 ARG HB2 . 17451 1 835 . 1 1 70 70 ARG HB3 H 1 1.82 0.02 . 2 . . . . 126 ARG HB3 . 17451 1 836 . 1 1 70 70 ARG HG2 H 1 1.65 0.02 . 2 . . . . 126 ARG HG2 . 17451 1 837 . 1 1 70 70 ARG HG3 H 1 1.65 0.02 . 2 . . . . 126 ARG HG3 . 17451 1 838 . 1 1 70 70 ARG HD2 H 1 3.18 0.02 . 2 . . . . 126 ARG HD2 . 17451 1 839 . 1 1 70 70 ARG HD3 H 1 3.18 0.02 . 2 . . . . 126 ARG HD3 . 17451 1 840 . 1 1 70 70 ARG C C 13 178.90 0.25 . 1 . . . . 126 ARG C . 17451 1 841 . 1 1 70 70 ARG CA C 13 58.71 0.25 . 1 . . . . 126 ARG CA . 17451 1 842 . 1 1 70 70 ARG CB C 13 29.52 0.25 . 1 . . . . 126 ARG CB . 17451 1 843 . 1 1 70 70 ARG CG C 13 26.89 0.25 . 1 . . . . 126 ARG CG . 17451 1 844 . 1 1 70 70 ARG CD C 13 42.93 0.25 . 1 . . . . 126 ARG CD . 17451 1 845 . 1 1 70 70 ARG N N 15 116.80 0.15 . 1 . . . . 126 ARG N . 17451 1 846 . 1 1 71 71 VAL H H 1 6.73 0.02 . 1 . . . . 127 VAL H . 17451 1 847 . 1 1 71 71 VAL HA H 1 3.61 0.02 . 1 . . . . 127 VAL HA . 17451 1 848 . 1 1 71 71 VAL HB H 1 1.91 0.02 . 1 . . . . 127 VAL HB . 17451 1 849 . 1 1 71 71 VAL HG11 H 1 0.90 0.02 . 2 . . . . 127 VAL HG1 . 17451 1 850 . 1 1 71 71 VAL HG12 H 1 0.90 0.02 . 2 . . . . 127 VAL HG1 . 17451 1 851 . 1 1 71 71 VAL HG13 H 1 0.90 0.02 . 2 . . . . 127 VAL HG1 . 17451 1 852 . 1 1 71 71 VAL HG21 H 1 0.73 0.02 . 2 . . . . 127 VAL HG2 . 17451 1 853 . 1 1 71 71 VAL HG22 H 1 0.73 0.02 . 2 . . . . 127 VAL HG2 . 17451 1 854 . 1 1 71 71 VAL HG23 H 1 0.73 0.02 . 2 . . . . 127 VAL HG2 . 17451 1 855 . 1 1 71 71 VAL C C 13 178.00 0.25 . 1 . . . . 127 VAL C . 17451 1 856 . 1 1 71 71 VAL CA C 13 65.83 0.25 . 1 . . . . 127 VAL CA . 17451 1 857 . 1 1 71 71 VAL CB C 13 30.89 0.25 . 1 . . . . 127 VAL CB . 17451 1 858 . 1 1 71 71 VAL CG1 C 13 21.32 0.25 . 2 . . . . 127 VAL CG1 . 17451 1 859 . 1 1 71 71 VAL CG2 C 13 20.47 0.25 . 2 . . . . 127 VAL CG2 . 17451 1 860 . 1 1 71 71 VAL N N 15 120.20 0.15 . 1 . . . . 127 VAL N . 17451 1 861 . 1 1 72 72 TYR H H 1 8.27 0.02 . 1 . . . . 128 TYR H . 17451 1 862 . 1 1 72 72 TYR HA H 1 4.19 0.02 . 1 . . . . 128 TYR HA . 17451 1 863 . 1 1 72 72 TYR HB2 H 1 2.95 0.02 . 2 . . . . 128 TYR HB2 . 17451 1 864 . 1 1 72 72 TYR HB3 H 1 2.82 0.02 . 2 . . . . 128 TYR HB3 . 17451 1 865 . 1 1 72 72 TYR HD1 H 1 6.78 0.02 . 3 . . . . 128 TYR HD1 . 17451 1 866 . 1 1 72 72 TYR HD2 H 1 6.78 0.02 . 3 . . . . 128 TYR HD2 . 17451 1 867 . 1 1 72 72 TYR HE1 H 1 6.63 0.02 . 3 . . . . 128 TYR HE1 . 17451 1 868 . 1 1 72 72 TYR HE2 H 1 6.63 0.02 . 3 . . . . 128 TYR HE2 . 17451 1 869 . 1 1 72 72 TYR C C 13 177.90 0.25 . 1 . . . . 128 TYR C . 17451 1 870 . 1 1 72 72 TYR CA C 13 59.78 0.25 . 1 . . . . 128 TYR CA . 17451 1 871 . 1 1 72 72 TYR CB C 13 36.62 0.25 . 1 . . . . 128 TYR CB . 17451 1 872 . 1 1 72 72 TYR CD1 C 13 131.00 0.25 . 3 . . . . 128 TYR CD1 . 17451 1 873 . 1 1 72 72 TYR CD2 C 13 131.00 0.25 . 3 . . . . 128 TYR CD2 . 17451 1 874 . 1 1 72 72 TYR CE1 C 13 117.70 0.25 . 3 . . . . 128 TYR CE1 . 17451 1 875 . 1 1 72 72 TYR CE2 C 13 117.70 0.25 . 3 . . . . 128 TYR CE2 . 17451 1 876 . 1 1 72 72 TYR N N 15 117.80 0.15 . 1 . . . . 128 TYR N . 17451 1 877 . 1 1 73 73 ASN H H 1 8.56 0.02 . 1 . . . . 129 ASN H . 17451 1 878 . 1 1 73 73 ASN HA H 1 4.57 0.02 . 1 . . . . 129 ASN HA . 17451 1 879 . 1 1 73 73 ASN HB2 H 1 2.86 0.02 . 2 . . . . 129 ASN HB2 . 17451 1 880 . 1 1 73 73 ASN HB3 H 1 2.71 0.02 . 2 . . . . 129 ASN HB3 . 17451 1 881 . 1 1 73 73 ASN HD21 H 1 7.49 0.02 . 2 . . . . 129 ASN HD21 . 17451 1 882 . 1 1 73 73 ASN HD22 H 1 7.05 0.02 . 2 . . . . 129 ASN HD22 . 17451 1 883 . 1 1 73 73 ASN C C 13 178.60 0.25 . 1 . . . . 129 ASN C . 17451 1 884 . 1 1 73 73 ASN CA C 13 55.58 0.25 . 1 . . . . 129 ASN CA . 17451 1 885 . 1 1 73 73 ASN CB C 13 37.05 0.25 . 1 . . . . 129 ASN CB . 17451 1 886 . 1 1 73 73 ASN N N 15 116.60 0.15 . 1 . . . . 129 ASN N . 17451 1 887 . 1 1 73 73 ASN ND2 N 15 110.80 0.15 . 1 . . . . 129 ASN ND2 . 17451 1 888 . 1 1 74 74 THR H H 1 8.21 0.02 . 1 . . . . 130 THR H . 17451 1 889 . 1 1 74 74 THR HA H 1 3.83 0.02 . 1 . . . . 130 THR HA . 17451 1 890 . 1 1 74 74 THR HB H 1 4.42 0.02 . 1 . . . . 130 THR HB . 17451 1 891 . 1 1 74 74 THR HG21 H 1 1.17 0.02 . 1 . . . . 130 THR HG2 . 17451 1 892 . 1 1 74 74 THR HG22 H 1 1.17 0.02 . 1 . . . . 130 THR HG2 . 17451 1 893 . 1 1 74 74 THR HG23 H 1 1.17 0.02 . 1 . . . . 130 THR HG2 . 17451 1 894 . 1 1 74 74 THR C C 13 175.60 0.25 . 1 . . . . 130 THR C . 17451 1 895 . 1 1 74 74 THR CA C 13 66.58 0.25 . 1 . . . . 130 THR CA . 17451 1 896 . 1 1 74 74 THR CB C 13 68.23 0.25 . 1 . . . . 130 THR CB . 17451 1 897 . 1 1 74 74 THR CG2 C 13 21.19 0.25 . 1 . . . . 130 THR CG2 . 17451 1 898 . 1 1 74 74 THR N N 15 120.70 0.15 . 1 . . . . 130 THR N . 17451 1 899 . 1 1 75 75 VAL H H 1 8.15 0.02 . 1 . . . . 131 VAL H . 17451 1 900 . 1 1 75 75 VAL HA H 1 3.60 0.02 . 1 . . . . 131 VAL HA . 17451 1 901 . 1 1 75 75 VAL HB H 1 2.17 0.02 . 1 . . . . 131 VAL HB . 17451 1 902 . 1 1 75 75 VAL HG11 H 1 0.97 0.02 . 2 . . . . 131 VAL HG1 . 17451 1 903 . 1 1 75 75 VAL HG12 H 1 0.97 0.02 . 2 . . . . 131 VAL HG1 . 17451 1 904 . 1 1 75 75 VAL HG13 H 1 0.97 0.02 . 2 . . . . 131 VAL HG1 . 17451 1 905 . 1 1 75 75 VAL HG21 H 1 1.04 0.02 . 2 . . . . 131 VAL HG2 . 17451 1 906 . 1 1 75 75 VAL HG22 H 1 1.04 0.02 . 2 . . . . 131 VAL HG2 . 17451 1 907 . 1 1 75 75 VAL HG23 H 1 1.04 0.02 . 2 . . . . 131 VAL HG2 . 17451 1 908 . 1 1 75 75 VAL C C 13 177.70 0.25 . 1 . . . . 131 VAL C . 17451 1 909 . 1 1 75 75 VAL CA C 13 67.93 0.25 . 1 . . . . 131 VAL CA . 17451 1 910 . 1 1 75 75 VAL CB C 13 31.44 0.25 . 1 . . . . 131 VAL CB . 17451 1 911 . 1 1 75 75 VAL CG1 C 13 21.16 0.25 . 2 . . . . 131 VAL CG1 . 17451 1 912 . 1 1 75 75 VAL CG2 C 13 22.64 0.25 . 2 . . . . 131 VAL CG2 . 17451 1 913 . 1 1 75 75 VAL N N 15 122.50 0.15 . 1 . . . . 131 VAL N . 17451 1 914 . 1 1 76 76 ILE H H 1 8.80 0.02 . 1 . . . . 132 ILE H . 17451 1 915 . 1 1 76 76 ILE HA H 1 3.52 0.02 . 1 . . . . 132 ILE HA . 17451 1 916 . 1 1 76 76 ILE HB H 1 1.89 0.02 . 1 . . . . 132 ILE HB . 17451 1 917 . 1 1 76 76 ILE HG12 H 1 1.90 0.02 . 2 . . . . 132 ILE HG12 . 17451 1 918 . 1 1 76 76 ILE HG13 H 1 0.86 0.02 . 2 . . . . 132 ILE HG13 . 17451 1 919 . 1 1 76 76 ILE HG21 H 1 0.89 0.02 . 1 . . . . 132 ILE HG2 . 17451 1 920 . 1 1 76 76 ILE HG22 H 1 0.89 0.02 . 1 . . . . 132 ILE HG2 . 17451 1 921 . 1 1 76 76 ILE HG23 H 1 0.89 0.02 . 1 . . . . 132 ILE HG2 . 17451 1 922 . 1 1 76 76 ILE HD11 H 1 0.74 0.02 . 1 . . . . 132 ILE HD1 . 17451 1 923 . 1 1 76 76 ILE HD12 H 1 0.74 0.02 . 1 . . . . 132 ILE HD1 . 17451 1 924 . 1 1 76 76 ILE HD13 H 1 0.74 0.02 . 1 . . . . 132 ILE HD1 . 17451 1 925 . 1 1 76 76 ILE C C 13 177.20 0.25 . 1 . . . . 132 ILE C . 17451 1 926 . 1 1 76 76 ILE CA C 13 66.41 0.25 . 1 . . . . 132 ILE CA . 17451 1 927 . 1 1 76 76 ILE CB C 13 37.95 0.25 . 1 . . . . 132 ILE CB . 17451 1 928 . 1 1 76 76 ILE CG1 C 13 30.41 0.25 . 1 . . . . 132 ILE CG1 . 17451 1 929 . 1 1 76 76 ILE CG2 C 13 16.80 0.25 . 1 . . . . 132 ILE CG2 . 17451 1 930 . 1 1 76 76 ILE CD1 C 13 14.20 0.25 . 1 . . . . 132 ILE CD1 . 17451 1 931 . 1 1 76 76 ILE N N 15 120.00 0.15 . 1 . . . . 132 ILE N . 17451 1 932 . 1 1 77 77 SER H H 1 7.84 0.02 . 1 . . . . 133 SER H . 17451 1 933 . 1 1 77 77 SER HA H 1 4.21 0.02 . 1 . . . . 133 SER HA . 17451 1 934 . 1 1 77 77 SER HB2 H 1 3.88 0.02 . 2 . . . . 133 SER HB2 . 17451 1 935 . 1 1 77 77 SER HB3 H 1 3.88 0.02 . 2 . . . . 133 SER HB3 . 17451 1 936 . 1 1 77 77 SER C C 13 177.70 0.25 . 1 . . . . 133 SER C . 17451 1 937 . 1 1 77 77 SER CA C 13 61.61 0.25 . 1 . . . . 133 SER CA . 17451 1 938 . 1 1 77 77 SER CB C 13 61.90 0.25 . 1 . . . . 133 SER CB . 17451 1 939 . 1 1 77 77 SER N N 15 114.30 0.15 . 1 . . . . 133 SER N . 17451 1 940 . 1 1 78 78 TYR H H 1 7.95 0.02 . 1 . . . . 134 TYR H . 17451 1 941 . 1 1 78 78 TYR HA H 1 4.48 0.02 . 1 . . . . 134 TYR HA . 17451 1 942 . 1 1 78 78 TYR HB2 H 1 3.01 0.02 . 2 . . . . 134 TYR HB2 . 17451 1 943 . 1 1 78 78 TYR HB3 H 1 2.99 0.02 . 2 . . . . 134 TYR HB3 . 17451 1 944 . 1 1 78 78 TYR HD1 H 1 6.88 0.02 . 3 . . . . 134 TYR HD1 . 17451 1 945 . 1 1 78 78 TYR HD2 H 1 6.88 0.02 . 3 . . . . 134 TYR HD2 . 17451 1 946 . 1 1 78 78 TYR HE1 H 1 6.62 0.02 . 3 . . . . 134 TYR HE1 . 17451 1 947 . 1 1 78 78 TYR HE2 H 1 6.62 0.02 . 3 . . . . 134 TYR HE2 . 17451 1 948 . 1 1 78 78 TYR C C 13 178.20 0.25 . 1 . . . . 134 TYR C . 17451 1 949 . 1 1 78 78 TYR CA C 13 61.04 0.25 . 1 . . . . 134 TYR CA . 17451 1 950 . 1 1 78 78 TYR CB C 13 37.50 0.25 . 1 . . . . 134 TYR CB . 17451 1 951 . 1 1 78 78 TYR CD1 C 13 130.80 0.25 . 3 . . . . 134 TYR CD1 . 17451 1 952 . 1 1 78 78 TYR CD2 C 13 130.80 0.25 . 3 . . . . 134 TYR CD2 . 17451 1 953 . 1 1 78 78 TYR CE1 C 13 117.70 0.25 . 3 . . . . 134 TYR CE1 . 17451 1 954 . 1 1 78 78 TYR CE2 C 13 117.70 0.25 . 3 . . . . 134 TYR CE2 . 17451 1 955 . 1 1 78 78 TYR N N 15 121.40 0.15 . 1 . . . . 134 TYR N . 17451 1 956 . 1 1 79 79 ILE H H 1 8.89 0.02 . 1 . . . . 135 ILE H . 17451 1 957 . 1 1 79 79 ILE HA H 1 3.58 0.02 . 1 . . . . 135 ILE HA . 17451 1 958 . 1 1 79 79 ILE HB H 1 2.06 0.02 . 1 . . . . 135 ILE HB . 17451 1 959 . 1 1 79 79 ILE HG12 H 1 2.01 0.02 . 2 . . . . 135 ILE HG12 . 17451 1 960 . 1 1 79 79 ILE HG13 H 1 1.10 0.02 . 2 . . . . 135 ILE HG13 . 17451 1 961 . 1 1 79 79 ILE HG21 H 1 0.97 0.02 . 1 . . . . 135 ILE HG2 . 17451 1 962 . 1 1 79 79 ILE HG22 H 1 0.97 0.02 . 1 . . . . 135 ILE HG2 . 17451 1 963 . 1 1 79 79 ILE HG23 H 1 0.97 0.02 . 1 . . . . 135 ILE HG2 . 17451 1 964 . 1 1 79 79 ILE HD11 H 1 0.72 0.02 . 1 . . . . 135 ILE HD1 . 17451 1 965 . 1 1 79 79 ILE HD12 H 1 0.72 0.02 . 1 . . . . 135 ILE HD1 . 17451 1 966 . 1 1 79 79 ILE HD13 H 1 0.72 0.02 . 1 . . . . 135 ILE HD1 . 17451 1 967 . 1 1 79 79 ILE C C 13 179.20 0.25 . 1 . . . . 135 ILE C . 17451 1 968 . 1 1 79 79 ILE CA C 13 66.02 0.25 . 1 . . . . 135 ILE CA . 17451 1 969 . 1 1 79 79 ILE CB C 13 38.27 0.25 . 1 . . . . 135 ILE CB . 17451 1 970 . 1 1 79 79 ILE CG1 C 13 29.48 0.25 . 1 . . . . 135 ILE CG1 . 17451 1 971 . 1 1 79 79 ILE CG2 C 13 17.27 0.25 . 1 . . . . 135 ILE CG2 . 17451 1 972 . 1 1 79 79 ILE CD1 C 13 16.81 0.25 . 1 . . . . 135 ILE CD1 . 17451 1 973 . 1 1 79 79 ILE N N 15 122.60 0.15 . 1 . . . . 135 ILE N . 17451 1 974 . 1 1 80 80 GLU H H 1 8.42 0.02 . 1 . . . . 136 GLU H . 17451 1 975 . 1 1 80 80 GLU HA H 1 4.07 0.02 . 1 . . . . 136 GLU HA . 17451 1 976 . 1 1 80 80 GLU HB2 H 1 2.08 0.02 . 2 . . . . 136 GLU HB2 . 17451 1 977 . 1 1 80 80 GLU HB3 H 1 2.03 0.02 . 2 . . . . 136 GLU HB3 . 17451 1 978 . 1 1 80 80 GLU HG2 H 1 2.45 0.02 . 2 . . . . 136 GLU HG2 . 17451 1 979 . 1 1 80 80 GLU HG3 H 1 2.31 0.02 . 2 . . . . 136 GLU HG3 . 17451 1 980 . 1 1 80 80 GLU C C 13 179.60 0.25 . 1 . . . . 136 GLU C . 17451 1 981 . 1 1 80 80 GLU CA C 13 58.99 0.25 . 1 . . . . 136 GLU CA . 17451 1 982 . 1 1 80 80 GLU CB C 13 28.80 0.25 . 1 . . . . 136 GLU CB . 17451 1 983 . 1 1 80 80 GLU CG C 13 35.99 0.25 . 1 . . . . 136 GLU CG . 17451 1 984 . 1 1 80 80 GLU N N 15 118.80 0.15 . 1 . . . . 136 GLU N . 17451 1 985 . 1 1 81 81 SER H H 1 8.40 0.02 . 1 . . . . 137 SER H . 17451 1 986 . 1 1 81 81 SER HA H 1 4.11 0.02 . 1 . . . . 137 SER HA . 17451 1 987 . 1 1 81 81 SER HB2 H 1 4.02 0.02 . 2 . . . . 137 SER HB2 . 17451 1 988 . 1 1 81 81 SER HB3 H 1 3.97 0.02 . 2 . . . . 137 SER HB3 . 17451 1 989 . 1 1 81 81 SER C C 13 176.70 0.25 . 1 . . . . 137 SER C . 17451 1 990 . 1 1 81 81 SER CA C 13 61.61 0.25 . 1 . . . . 137 SER CA . 17451 1 991 . 1 1 81 81 SER CB C 13 62.70 0.25 . 1 . . . . 137 SER CB . 17451 1 992 . 1 1 81 81 SER N N 15 116.00 0.15 . 1 . . . . 137 SER N . 17451 1 993 . 1 1 82 82 ASN H H 1 8.57 0.02 . 1 . . . . 138 ASN H . 17451 1 994 . 1 1 82 82 ASN HA H 1 4.20 0.02 . 1 . . . . 138 ASN HA . 17451 1 995 . 1 1 82 82 ASN HB2 H 1 2.93 0.02 . 2 . . . . 138 ASN HB2 . 17451 1 996 . 1 1 82 82 ASN HB3 H 1 2.76 0.02 . 2 . . . . 138 ASN HB3 . 17451 1 997 . 1 1 82 82 ASN HD21 H 1 7.61 0.02 . 2 . . . . 138 ASN HD21 . 17451 1 998 . 1 1 82 82 ASN HD22 H 1 6.78 0.02 . 2 . . . . 138 ASN HD22 . 17451 1 999 . 1 1 82 82 ASN C C 13 176.00 0.25 . 1 . . . . 138 ASN C . 17451 1 1000 . 1 1 82 82 ASN CA C 13 56.29 0.25 . 1 . . . . 138 ASN CA . 17451 1 1001 . 1 1 82 82 ASN CB C 13 40.04 0.25 . 1 . . . . 138 ASN CB . 17451 1 1002 . 1 1 82 82 ASN N N 15 121.90 0.15 . 1 . . . . 138 ASN N . 17451 1 1003 . 1 1 82 82 ASN ND2 N 15 117.80 0.15 . 1 . . . . 138 ASN ND2 . 17451 1 1004 . 1 1 83 83 ARG H H 1 7.82 0.02 . 1 . . . . 139 ARG H . 17451 1 1005 . 1 1 83 83 ARG HA H 1 4.04 0.02 . 1 . . . . 139 ARG HA . 17451 1 1006 . 1 1 83 83 ARG HB2 H 1 1.96 0.02 . 2 . . . . 139 ARG HB2 . 17451 1 1007 . 1 1 83 83 ARG HB3 H 1 1.93 0.02 . 2 . . . . 139 ARG HB3 . 17451 1 1008 . 1 1 83 83 ARG HG2 H 1 1.84 0.02 . 2 . . . . 139 ARG HG2 . 17451 1 1009 . 1 1 83 83 ARG HG3 H 1 1.72 0.02 . 2 . . . . 139 ARG HG3 . 17451 1 1010 . 1 1 83 83 ARG HD2 H 1 3.23 0.02 . 2 . . . . 139 ARG HD2 . 17451 1 1011 . 1 1 83 83 ARG HD3 H 1 3.23 0.02 . 2 . . . . 139 ARG HD3 . 17451 1 1012 . 1 1 83 83 ARG C C 13 178.30 0.25 . 1 . . . . 139 ARG C . 17451 1 1013 . 1 1 83 83 ARG CA C 13 57.84 0.25 . 1 . . . . 139 ARG CA . 17451 1 1014 . 1 1 83 83 ARG CB C 13 29.82 0.25 . 1 . . . . 139 ARG CB . 17451 1 1015 . 1 1 83 83 ARG CG C 13 26.82 0.25 . 1 . . . . 139 ARG CG . 17451 1 1016 . 1 1 83 83 ARG CD C 13 42.95 0.25 . 1 . . . . 139 ARG CD . 17451 1 1017 . 1 1 83 83 ARG N N 15 117.10 0.15 . 1 . . . . 139 ARG N . 17451 1 1018 . 1 1 84 84 LYS H H 1 7.33 0.02 . 1 . . . . 140 LYS H . 17451 1 1019 . 1 1 84 84 LYS HA H 1 4.08 0.02 . 1 . . . . 140 LYS HA . 17451 1 1020 . 1 1 84 84 LYS HB2 H 1 1.89 0.02 . 2 . . . . 140 LYS HB2 . 17451 1 1021 . 1 1 84 84 LYS HB3 H 1 1.84 0.02 . 2 . . . . 140 LYS HB3 . 17451 1 1022 . 1 1 84 84 LYS HG2 H 1 1.55 0.02 . 2 . . . . 140 LYS HG2 . 17451 1 1023 . 1 1 84 84 LYS HG3 H 1 1.42 0.02 . 2 . . . . 140 LYS HG3 . 17451 1 1024 . 1 1 84 84 LYS HD2 H 1 1.67 0.02 . 2 . . . . 140 LYS HD2 . 17451 1 1025 . 1 1 84 84 LYS HD3 H 1 1.59 0.02 . 2 . . . . 140 LYS HD3 . 17451 1 1026 . 1 1 84 84 LYS HE2 H 1 2.96 0.02 . 2 . . . . 140 LYS HE2 . 17451 1 1027 . 1 1 84 84 LYS HE3 H 1 2.92 0.02 . 2 . . . . 140 LYS HE3 . 17451 1 1028 . 1 1 84 84 LYS C C 13 177.30 0.25 . 1 . . . . 140 LYS C . 17451 1 1029 . 1 1 84 84 LYS CA C 13 58.21 0.25 . 1 . . . . 140 LYS CA . 17451 1 1030 . 1 1 84 84 LYS CB C 13 32.61 0.25 . 1 . . . . 140 LYS CB . 17451 1 1031 . 1 1 84 84 LYS CG C 13 24.86 0.25 . 1 . . . . 140 LYS CG . 17451 1 1032 . 1 1 84 84 LYS CD C 13 28.83 0.25 . 1 . . . . 140 LYS CD . 17451 1 1033 . 1 1 84 84 LYS CE C 13 41.51 0.25 . 1 . . . . 140 LYS CE . 17451 1 1034 . 1 1 84 84 LYS N N 15 118.20 0.15 . 1 . . . . 140 LYS N . 17451 1 1035 . 1 1 85 85 ASN H H 1 8.08 0.02 . 1 . . . . 141 ASN H . 17451 1 1036 . 1 1 85 85 ASN HA H 1 4.60 0.02 . 1 . . . . 141 ASN HA . 17451 1 1037 . 1 1 85 85 ASN HB2 H 1 3.00 0.02 . 2 . . . . 141 ASN HB2 . 17451 1 1038 . 1 1 85 85 ASN HB3 H 1 2.77 0.02 . 2 . . . . 141 ASN HB3 . 17451 1 1039 . 1 1 85 85 ASN HD21 H 1 7.76 0.02 . 2 . . . . 141 ASN HD21 . 17451 1 1040 . 1 1 85 85 ASN HD22 H 1 7.02 0.02 . 2 . . . . 141 ASN HD22 . 17451 1 1041 . 1 1 85 85 ASN CA C 13 53.51 0.25 . 1 . . . . 141 ASN CA . 17451 1 1042 . 1 1 85 85 ASN CB C 13 38.11 0.25 . 1 . . . . 141 ASN CB . 17451 1 1043 . 1 1 85 85 ASN N N 15 114.60 0.15 . 1 . . . . 141 ASN N . 17451 1 1044 . 1 1 85 85 ASN ND2 N 15 114.00 0.15 . 1 . . . . 141 ASN ND2 . 17451 1 1045 . 1 1 86 86 ASN H H 1 7.95 0.02 . 1 . . . . 142 ASN H . 17451 1 1046 . 1 1 86 86 ASN HA H 1 4.43 0.02 . 1 . . . . 142 ASN HA . 17451 1 1047 . 1 1 86 86 ASN HB2 H 1 2.85 0.02 . 2 . . . . 142 ASN HB2 . 17451 1 1048 . 1 1 86 86 ASN HB3 H 1 2.81 0.02 . 2 . . . . 142 ASN HB3 . 17451 1 1049 . 1 1 86 86 ASN HD21 H 1 7.59 0.02 . 2 . . . . 142 ASN HD21 . 17451 1 1050 . 1 1 86 86 ASN HD22 H 1 6.91 0.02 . 2 . . . . 142 ASN HD22 . 17451 1 1051 . 1 1 86 86 ASN C C 13 176.30 0.25 . 1 . . . . 142 ASN C . 17451 1 1052 . 1 1 86 86 ASN CA C 13 56.60 0.25 . 1 . . . . 142 ASN CA . 17451 1 1053 . 1 1 86 86 ASN CB C 13 36.77 0.25 . 1 . . . . 142 ASN CB . 17451 1 1054 . 1 1 86 86 ASN N N 15 116.40 0.15 . 1 . . . . 142 ASN N . 17451 1 1055 . 1 1 86 86 ASN ND2 N 15 113.20 0.15 . 1 . . . . 142 ASN ND2 . 17451 1 1056 . 1 1 87 87 LYS H H 1 7.92 0.02 . 1 . . . . 143 LYS H . 17451 1 1057 . 1 1 87 87 LYS HA H 1 3.88 0.02 . 1 . . . . 143 LYS HA . 17451 1 1058 . 1 1 87 87 LYS HB2 H 1 1.93 0.02 . 2 . . . . 143 LYS HB2 . 17451 1 1059 . 1 1 87 87 LYS HB3 H 1 1.82 0.02 . 2 . . . . 143 LYS HB3 . 17451 1 1060 . 1 1 87 87 LYS HG2 H 1 1.52 0.02 . 2 . . . . 143 LYS HG2 . 17451 1 1061 . 1 1 87 87 LYS HG3 H 1 1.34 0.02 . 2 . . . . 143 LYS HG3 . 17451 1 1062 . 1 1 87 87 LYS HD2 H 1 1.67 0.02 . 2 . . . . 143 LYS HD2 . 17451 1 1063 . 1 1 87 87 LYS HD3 H 1 1.67 0.02 . 2 . . . . 143 LYS HD3 . 17451 1 1064 . 1 1 87 87 LYS HE2 H 1 2.97 0.02 . 2 . . . . 143 LYS HE2 . 17451 1 1065 . 1 1 87 87 LYS HE3 H 1 2.97 0.02 . 2 . . . . 143 LYS HE3 . 17451 1 1066 . 1 1 87 87 LYS C C 13 179.30 0.25 . 1 . . . . 143 LYS C . 17451 1 1067 . 1 1 87 87 LYS CA C 13 59.46 0.25 . 1 . . . . 143 LYS CA . 17451 1 1068 . 1 1 87 87 LYS CB C 13 31.45 0.25 . 1 . . . . 143 LYS CB . 17451 1 1069 . 1 1 87 87 LYS CG C 13 24.94 0.25 . 1 . . . . 143 LYS CG . 17451 1 1070 . 1 1 87 87 LYS CD C 13 28.83 0.25 . 1 . . . . 143 LYS CD . 17451 1 1071 . 1 1 87 87 LYS CE C 13 41.47 0.25 . 1 . . . . 143 LYS CE . 17451 1 1072 . 1 1 87 87 LYS N N 15 121.30 0.15 . 1 . . . . 143 LYS N . 17451 1 1073 . 1 1 88 88 GLN H H 1 8.00 0.02 . 1 . . . . 144 GLN H . 17451 1 1074 . 1 1 88 88 GLN HA H 1 4.11 0.02 . 1 . . . . 144 GLN HA . 17451 1 1075 . 1 1 88 88 GLN HB2 H 1 1.99 0.02 . 2 . . . . 144 GLN HB2 . 17451 1 1076 . 1 1 88 88 GLN HB3 H 1 1.94 0.02 . 2 . . . . 144 GLN HB3 . 17451 1 1077 . 1 1 88 88 GLN HG2 H 1 2.37 0.02 . 2 . . . . 144 GLN HG2 . 17451 1 1078 . 1 1 88 88 GLN HG3 H 1 2.36 0.02 . 2 . . . . 144 GLN HG3 . 17451 1 1079 . 1 1 88 88 GLN HE21 H 1 7.35 0.02 . 2 . . . . 144 GLN HE21 . 17451 1 1080 . 1 1 88 88 GLN HE22 H 1 6.75 0.02 . 2 . . . . 144 GLN HE22 . 17451 1 1081 . 1 1 88 88 GLN C C 13 178.20 0.25 . 1 . . . . 144 GLN C . 17451 1 1082 . 1 1 88 88 GLN CA C 13 57.56 0.25 . 1 . . . . 144 GLN CA . 17451 1 1083 . 1 1 88 88 GLN CB C 13 28.01 0.25 . 1 . . . . 144 GLN CB . 17451 1 1084 . 1 1 88 88 GLN CG C 13 33.22 0.25 . 1 . . . . 144 GLN CG . 17451 1 1085 . 1 1 88 88 GLN N N 15 119.20 0.15 . 1 . . . . 144 GLN N . 17451 1 1086 . 1 1 88 88 GLN NE2 N 15 110.90 0.15 . 1 . . . . 144 GLN NE2 . 17451 1 1087 . 1 1 89 89 THR H H 1 7.66 0.02 . 1 . . . . 145 THR H . 17451 1 1088 . 1 1 89 89 THR HA H 1 3.89 0.02 . 1 . . . . 145 THR HA . 17451 1 1089 . 1 1 89 89 THR HB H 1 4.50 0.02 . 1 . . . . 145 THR HB . 17451 1 1090 . 1 1 89 89 THR HG21 H 1 1.14 0.02 . 1 . . . . 145 THR HG2 . 17451 1 1091 . 1 1 89 89 THR HG22 H 1 1.14 0.02 . 1 . . . . 145 THR HG2 . 17451 1 1092 . 1 1 89 89 THR HG23 H 1 1.14 0.02 . 1 . . . . 145 THR HG2 . 17451 1 1093 . 1 1 89 89 THR C C 13 175.30 0.25 . 1 . . . . 145 THR C . 17451 1 1094 . 1 1 89 89 THR CA C 13 67.33 0.25 . 1 . . . . 145 THR CA . 17451 1 1095 . 1 1 89 89 THR CB C 13 67.27 0.25 . 1 . . . . 145 THR CB . 17451 1 1096 . 1 1 89 89 THR CG2 C 13 20.32 0.25 . 1 . . . . 145 THR CG2 . 17451 1 1097 . 1 1 89 89 THR N N 15 117.50 0.15 . 1 . . . . 145 THR N . 17451 1 1098 . 1 1 90 90 ILE H H 1 8.36 0.02 . 1 . . . . 146 ILE H . 17451 1 1099 . 1 1 90 90 ILE HA H 1 3.32 0.02 . 1 . . . . 146 ILE HA . 17451 1 1100 . 1 1 90 90 ILE HB H 1 1.83 0.02 . 1 . . . . 146 ILE HB . 17451 1 1101 . 1 1 90 90 ILE HG12 H 1 1.87 0.02 . 2 . . . . 146 ILE HG12 . 17451 1 1102 . 1 1 90 90 ILE HG13 H 1 0.78 0.02 . 2 . . . . 146 ILE HG13 . 17451 1 1103 . 1 1 90 90 ILE HG21 H 1 0.72 0.02 . 1 . . . . 146 ILE HG2 . 17451 1 1104 . 1 1 90 90 ILE HG22 H 1 0.72 0.02 . 1 . . . . 146 ILE HG2 . 17451 1 1105 . 1 1 90 90 ILE HG23 H 1 0.72 0.02 . 1 . . . . 146 ILE HG2 . 17451 1 1106 . 1 1 90 90 ILE HD11 H 1 0.85 0.02 . 1 . . . . 146 ILE HD1 . 17451 1 1107 . 1 1 90 90 ILE HD12 H 1 0.85 0.02 . 1 . . . . 146 ILE HD1 . 17451 1 1108 . 1 1 90 90 ILE HD13 H 1 0.85 0.02 . 1 . . . . 146 ILE HD1 . 17451 1 1109 . 1 1 90 90 ILE C C 13 176.70 0.25 . 1 . . . . 146 ILE C . 17451 1 1110 . 1 1 90 90 ILE CA C 13 66.60 0.25 . 1 . . . . 146 ILE CA . 17451 1 1111 . 1 1 90 90 ILE CB C 13 37.85 0.25 . 1 . . . . 146 ILE CB . 17451 1 1112 . 1 1 90 90 ILE CG1 C 13 30.33 0.25 . 1 . . . . 146 ILE CG1 . 17451 1 1113 . 1 1 90 90 ILE CG2 C 13 16.85 0.25 . 1 . . . . 146 ILE CG2 . 17451 1 1114 . 1 1 90 90 ILE CD1 C 13 13.77 0.25 . 1 . . . . 146 ILE CD1 . 17451 1 1115 . 1 1 90 90 ILE N N 15 122.80 0.15 . 1 . . . . 146 ILE N . 17451 1 1116 . 1 1 91 91 HIS H H 1 7.54 0.02 . 1 . . . . 147 HIS H . 17451 1 1117 . 1 1 91 91 HIS HA H 1 4.14 0.02 . 1 . . . . 147 HIS HA . 17451 1 1118 . 1 1 91 91 HIS HB2 H 1 3.20 0.02 . 2 . . . . 147 HIS HB2 . 17451 1 1119 . 1 1 91 91 HIS HB3 H 1 3.10 0.02 . 2 . . . . 147 HIS HB3 . 17451 1 1120 . 1 1 91 91 HIS HD2 H 1 6.85 0.02 . 1 . . . . 147 HIS HD2 . 17451 1 1121 . 1 1 91 91 HIS HE1 H 1 7.52 0.02 . 1 . . . . 147 HIS HE1 . 17451 1 1122 . 1 1 91 91 HIS C C 13 177.10 0.25 . 1 . . . . 147 HIS C . 17451 1 1123 . 1 1 91 91 HIS CA C 13 59.55 0.25 . 1 . . . . 147 HIS CA . 17451 1 1124 . 1 1 91 91 HIS CB C 13 30.02 0.25 . 1 . . . . 147 HIS CB . 17451 1 1125 . 1 1 91 91 HIS CD2 C 13 119.50 0.25 . 1 . . . . 147 HIS CD2 . 17451 1 1126 . 1 1 91 91 HIS CE1 C 13 138.30 0.25 . 1 . . . . 147 HIS CE1 . 17451 1 1127 . 1 1 91 91 HIS N N 15 117.30 0.15 . 1 . . . . 147 HIS N . 17451 1 1128 . 1 1 92 92 LEU H H 1 8.01 0.02 . 1 . . . . 148 LEU H . 17451 1 1129 . 1 1 92 92 LEU HA H 1 3.93 0.02 . 1 . . . . 148 LEU HA . 17451 1 1130 . 1 1 92 92 LEU HB2 H 1 1.99 0.02 . 2 . . . . 148 LEU HB2 . 17451 1 1131 . 1 1 92 92 LEU HB3 H 1 1.78 0.02 . 2 . . . . 148 LEU HB3 . 17451 1 1132 . 1 1 92 92 LEU HG H 1 1.89 0.02 . 1 . . . . 148 LEU HG . 17451 1 1133 . 1 1 92 92 LEU HD11 H 1 0.93 0.02 . 2 . . . . 148 LEU HD1 . 17451 1 1134 . 1 1 92 92 LEU HD12 H 1 0.93 0.02 . 2 . . . . 148 LEU HD1 . 17451 1 1135 . 1 1 92 92 LEU HD13 H 1 0.93 0.02 . 2 . . . . 148 LEU HD1 . 17451 1 1136 . 1 1 92 92 LEU HD21 H 1 0.89 0.02 . 2 . . . . 148 LEU HD2 . 17451 1 1137 . 1 1 92 92 LEU HD22 H 1 0.89 0.02 . 2 . . . . 148 LEU HD2 . 17451 1 1138 . 1 1 92 92 LEU HD23 H 1 0.89 0.02 . 2 . . . . 148 LEU HD2 . 17451 1 1139 . 1 1 92 92 LEU C C 13 180.30 0.25 . 1 . . . . 148 LEU C . 17451 1 1140 . 1 1 92 92 LEU CA C 13 57.93 0.25 . 1 . . . . 148 LEU CA . 17451 1 1141 . 1 1 92 92 LEU CB C 13 41.74 0.25 . 1 . . . . 148 LEU CB . 17451 1 1142 . 1 1 92 92 LEU CG C 13 26.41 0.25 . 1 . . . . 148 LEU CG . 17451 1 1143 . 1 1 92 92 LEU CD1 C 13 24.98 0.25 . 2 . . . . 148 LEU CD1 . 17451 1 1144 . 1 1 92 92 LEU CD2 C 13 23.41 0.25 . 2 . . . . 148 LEU CD2 . 17451 1 1145 . 1 1 92 92 LEU N N 15 119.70 0.15 . 1 . . . . 148 LEU N . 17451 1 1146 . 1 1 93 93 LEU H H 1 8.31 0.02 . 1 . . . . 149 LEU H . 17451 1 1147 . 1 1 93 93 LEU HA H 1 3.88 0.02 . 1 . . . . 149 LEU HA . 17451 1 1148 . 1 1 93 93 LEU HB2 H 1 1.82 0.02 . 2 . . . . 149 LEU HB2 . 17451 1 1149 . 1 1 93 93 LEU HB3 H 1 1.37 0.02 . 2 . . . . 149 LEU HB3 . 17451 1 1150 . 1 1 93 93 LEU HG H 1 1.70 0.02 . 1 . . . . 149 LEU HG . 17451 1 1151 . 1 1 93 93 LEU HD11 H 1 0.51 0.02 . 2 . . . . 149 LEU HD1 . 17451 1 1152 . 1 1 93 93 LEU HD12 H 1 0.51 0.02 . 2 . . . . 149 LEU HD1 . 17451 1 1153 . 1 1 93 93 LEU HD13 H 1 0.51 0.02 . 2 . . . . 149 LEU HD1 . 17451 1 1154 . 1 1 93 93 LEU HD21 H 1 0.20 0.02 . 2 . . . . 149 LEU HD2 . 17451 1 1155 . 1 1 93 93 LEU HD22 H 1 0.20 0.02 . 2 . . . . 149 LEU HD2 . 17451 1 1156 . 1 1 93 93 LEU HD23 H 1 0.20 0.02 . 2 . . . . 149 LEU HD2 . 17451 1 1157 . 1 1 93 93 LEU C C 13 177.90 0.25 . 1 . . . . 149 LEU C . 17451 1 1158 . 1 1 93 93 LEU CA C 13 57.39 0.25 . 1 . . . . 149 LEU CA . 17451 1 1159 . 1 1 93 93 LEU CB C 13 41.41 0.25 . 1 . . . . 149 LEU CB . 17451 1 1160 . 1 1 93 93 LEU CG C 13 26.22 0.25 . 1 . . . . 149 LEU CG . 17451 1 1161 . 1 1 93 93 LEU CD1 C 13 26.36 0.25 . 2 . . . . 149 LEU CD1 . 17451 1 1162 . 1 1 93 93 LEU CD2 C 13 21.70 0.25 . 2 . . . . 149 LEU CD2 . 17451 1 1163 . 1 1 93 93 LEU N N 15 120.90 0.15 . 1 . . . . 149 LEU N . 17451 1 1164 . 1 1 94 94 LYS H H 1 8.00 0.02 . 1 . . . . 150 LYS H . 17451 1 1165 . 1 1 94 94 LYS HA H 1 3.74 0.02 . 1 . . . . 150 LYS HA . 17451 1 1166 . 1 1 94 94 LYS HB2 H 1 1.84 0.02 . 2 . . . . 150 LYS HB2 . 17451 1 1167 . 1 1 94 94 LYS HB3 H 1 1.84 0.02 . 2 . . . . 150 LYS HB3 . 17451 1 1168 . 1 1 94 94 LYS HG2 H 1 1.50 0.02 . 2 . . . . 150 LYS HG2 . 17451 1 1169 . 1 1 94 94 LYS HG3 H 1 1.48 0.02 . 2 . . . . 150 LYS HG3 . 17451 1 1170 . 1 1 94 94 LYS HD2 H 1 1.66 0.02 . 2 . . . . 150 LYS HD2 . 17451 1 1171 . 1 1 94 94 LYS HD3 H 1 1.56 0.02 . 2 . . . . 150 LYS HD3 . 17451 1 1172 . 1 1 94 94 LYS HE2 H 1 2.90 0.02 . 2 . . . . 150 LYS HE2 . 17451 1 1173 . 1 1 94 94 LYS HE3 H 1 2.83 0.02 . 2 . . . . 150 LYS HE3 . 17451 1 1174 . 1 1 94 94 LYS C C 13 177.60 0.25 . 1 . . . . 150 LYS C . 17451 1 1175 . 1 1 94 94 LYS CA C 13 58.52 0.25 . 1 . . . . 150 LYS CA . 17451 1 1176 . 1 1 94 94 LYS CB C 13 32.11 0.25 . 1 . . . . 150 LYS CB . 17451 1 1177 . 1 1 94 94 LYS CG C 13 25.90 0.25 . 1 . . . . 150 LYS CG . 17451 1 1178 . 1 1 94 94 LYS CD C 13 29.34 0.25 . 1 . . . . 150 LYS CD . 17451 1 1179 . 1 1 94 94 LYS CE C 13 41.50 0.25 . 1 . . . . 150 LYS CE . 17451 1 1180 . 1 1 94 94 LYS N N 15 116.60 0.15 . 1 . . . . 150 LYS N . 17451 1 1181 . 1 1 95 95 ARG H H 1 7.30 0.02 . 1 . . . . 151 ARG H . 17451 1 1182 . 1 1 95 95 ARG HA H 1 4.16 0.02 . 1 . . . . 151 ARG HA . 17451 1 1183 . 1 1 95 95 ARG HB2 H 1 1.92 0.02 . 2 . . . . 151 ARG HB2 . 17451 1 1184 . 1 1 95 95 ARG HB3 H 1 1.77 0.02 . 2 . . . . 151 ARG HB3 . 17451 1 1185 . 1 1 95 95 ARG HG2 H 1 1.68 0.02 . 2 . . . . 151 ARG HG2 . 17451 1 1186 . 1 1 95 95 ARG HG3 H 1 1.61 0.02 . 2 . . . . 151 ARG HG3 . 17451 1 1187 . 1 1 95 95 ARG HD2 H 1 3.04 0.02 . 2 . . . . 151 ARG HD2 . 17451 1 1188 . 1 1 95 95 ARG HD3 H 1 3.04 0.02 . 2 . . . . 151 ARG HD3 . 17451 1 1189 . 1 1 95 95 ARG C C 13 177.50 0.25 . 1 . . . . 151 ARG C . 17451 1 1190 . 1 1 95 95 ARG CA C 13 55.69 0.25 . 1 . . . . 151 ARG CA . 17451 1 1191 . 1 1 95 95 ARG CB C 13 30.38 0.25 . 1 . . . . 151 ARG CB . 17451 1 1192 . 1 1 95 95 ARG CG C 13 27.14 0.25 . 1 . . . . 151 ARG CG . 17451 1 1193 . 1 1 95 95 ARG CD C 13 43.11 0.25 . 1 . . . . 151 ARG CD . 17451 1 1194 . 1 1 95 95 ARG N N 15 116.20 0.15 . 1 . . . . 151 ARG N . 17451 1 1195 . 1 1 96 96 LEU H H 1 7.49 0.02 . 1 . . . . 152 LEU H . 17451 1 1196 . 1 1 96 96 LEU HA H 1 4.43 0.02 . 1 . . . . 152 LEU HA . 17451 1 1197 . 1 1 96 96 LEU HB2 H 1 1.99 0.02 . 2 . . . . 152 LEU HB2 . 17451 1 1198 . 1 1 96 96 LEU HB3 H 1 1.10 0.02 . 2 . . . . 152 LEU HB3 . 17451 1 1199 . 1 1 96 96 LEU HG H 1 2.09 0.02 . 1 . . . . 152 LEU HG . 17451 1 1200 . 1 1 96 96 LEU HD11 H 1 0.91 0.02 . 2 . . . . 152 LEU HD1 . 17451 1 1201 . 1 1 96 96 LEU HD12 H 1 0.91 0.02 . 2 . . . . 152 LEU HD1 . 17451 1 1202 . 1 1 96 96 LEU HD13 H 1 0.91 0.02 . 2 . . . . 152 LEU HD1 . 17451 1 1203 . 1 1 96 96 LEU HD21 H 1 0.89 0.02 . 2 . . . . 152 LEU HD2 . 17451 1 1204 . 1 1 96 96 LEU HD22 H 1 0.89 0.02 . 2 . . . . 152 LEU HD2 . 17451 1 1205 . 1 1 96 96 LEU HD23 H 1 0.89 0.02 . 2 . . . . 152 LEU HD2 . 17451 1 1206 . 1 1 96 96 LEU CA C 13 53.17 0.25 . 1 . . . . 152 LEU CA . 17451 1 1207 . 1 1 96 96 LEU CB C 13 41.75 0.25 . 1 . . . . 152 LEU CB . 17451 1 1208 . 1 1 96 96 LEU CG C 13 25.63 0.25 . 1 . . . . 152 LEU CG . 17451 1 1209 . 1 1 96 96 LEU CD1 C 13 25.44 0.25 . 2 . . . . 152 LEU CD1 . 17451 1 1210 . 1 1 96 96 LEU CD2 C 13 22.06 0.25 . 2 . . . . 152 LEU CD2 . 17451 1 1211 . 1 1 96 96 LEU N N 15 122.70 0.15 . 1 . . . . 152 LEU N . 17451 1 1212 . 1 1 97 97 PRO HA H 1 4.47 0.02 . 1 . . . . 153 PRO HA . 17451 1 1213 . 1 1 97 97 PRO HB2 H 1 2.50 0.02 . 2 . . . . 153 PRO HB2 . 17451 1 1214 . 1 1 97 97 PRO HB3 H 1 1.95 0.02 . 2 . . . . 153 PRO HB3 . 17451 1 1215 . 1 1 97 97 PRO HG2 H 1 2.12 0.02 . 2 . . . . 153 PRO HG2 . 17451 1 1216 . 1 1 97 97 PRO HG3 H 1 2.17 0.02 . 2 . . . . 153 PRO HG3 . 17451 1 1217 . 1 1 97 97 PRO HD2 H 1 4.01 0.02 . 2 . . . . 153 PRO HD2 . 17451 1 1218 . 1 1 97 97 PRO HD3 H 1 3.38 0.02 . 2 . . . . 153 PRO HD3 . 17451 1 1219 . 1 1 97 97 PRO CA C 13 62.34 0.25 . 1 . . . . 153 PRO CA . 17451 1 1220 . 1 1 97 97 PRO CB C 13 31.92 0.25 . 1 . . . . 153 PRO CB . 17451 1 1221 . 1 1 97 97 PRO CG C 13 27.85 0.25 . 1 . . . . 153 PRO CG . 17451 1 1222 . 1 1 97 97 PRO CD C 13 50.00 0.25 . 1 . . . . 153 PRO CD . 17451 1 1223 . 1 1 98 98 ALA H H 1 8.92 0.02 . 1 . . . . 154 ALA H . 17451 1 1224 . 1 1 98 98 ALA HA H 1 3.96 0.02 . 1 . . . . 154 ALA HA . 17451 1 1225 . 1 1 98 98 ALA HB1 H 1 1.50 0.02 . 1 . . . . 154 ALA HB . 17451 1 1226 . 1 1 98 98 ALA HB2 H 1 1.50 0.02 . 1 . . . . 154 ALA HB . 17451 1 1227 . 1 1 98 98 ALA HB3 H 1 1.50 0.02 . 1 . . . . 154 ALA HB . 17451 1 1228 . 1 1 98 98 ALA C C 13 178.50 0.25 . 1 . . . . 154 ALA C . 17451 1 1229 . 1 1 98 98 ALA CA C 13 56.06 0.25 . 1 . . . . 154 ALA CA . 17451 1 1230 . 1 1 98 98 ALA CB C 13 18.19 0.25 . 1 . . . . 154 ALA CB . 17451 1 1231 . 1 1 98 98 ALA N N 15 126.40 0.15 . 1 . . . . 154 ALA N . 17451 1 1232 . 1 1 99 99 ASP H H 1 8.92 0.02 . 1 . . . . 155 ASP H . 17451 1 1233 . 1 1 99 99 ASP HA H 1 4.26 0.02 . 1 . . . . 155 ASP HA . 17451 1 1234 . 1 1 99 99 ASP HB2 H 1 2.68 0.02 . 2 . . . . 155 ASP HB2 . 17451 1 1235 . 1 1 99 99 ASP HB3 H 1 2.56 0.02 . 2 . . . . 155 ASP HB3 . 17451 1 1236 . 1 1 99 99 ASP C C 13 178.70 0.25 . 1 . . . . 155 ASP C . 17451 1 1237 . 1 1 99 99 ASP CA C 13 56.92 0.25 . 1 . . . . 155 ASP CA . 17451 1 1238 . 1 1 99 99 ASP CB C 13 39.32 0.25 . 1 . . . . 155 ASP CB . 17451 1 1239 . 1 1 99 99 ASP N N 15 114.30 0.15 . 1 . . . . 155 ASP N . 17451 1 1240 . 1 1 100 100 VAL H H 1 7.20 0.02 . 1 . . . . 156 VAL H . 17451 1 1241 . 1 1 100 100 VAL HA H 1 3.69 0.02 . 1 . . . . 156 VAL HA . 17451 1 1242 . 1 1 100 100 VAL HB H 1 2.08 0.02 . 1 . . . . 156 VAL HB . 17451 1 1243 . 1 1 100 100 VAL HG11 H 1 1.02 0.02 . 2 . . . . 156 VAL HG1 . 17451 1 1244 . 1 1 100 100 VAL HG12 H 1 1.02 0.02 . 2 . . . . 156 VAL HG1 . 17451 1 1245 . 1 1 100 100 VAL HG13 H 1 1.02 0.02 . 2 . . . . 156 VAL HG1 . 17451 1 1246 . 1 1 100 100 VAL HG21 H 1 1.05 0.02 . 2 . . . . 156 VAL HG2 . 17451 1 1247 . 1 1 100 100 VAL HG22 H 1 1.05 0.02 . 2 . . . . 156 VAL HG2 . 17451 1 1248 . 1 1 100 100 VAL HG23 H 1 1.05 0.02 . 2 . . . . 156 VAL HG2 . 17451 1 1249 . 1 1 100 100 VAL C C 13 179.40 0.25 . 1 . . . . 156 VAL C . 17451 1 1250 . 1 1 100 100 VAL CA C 13 65.11 0.25 . 1 . . . . 156 VAL CA . 17451 1 1251 . 1 1 100 100 VAL CB C 13 31.85 0.25 . 1 . . . . 156 VAL CB . 17451 1 1252 . 1 1 100 100 VAL CG1 C 13 21.41 0.25 . 2 . . . . 156 VAL CG1 . 17451 1 1253 . 1 1 100 100 VAL CG2 C 13 21.56 0.25 . 2 . . . . 156 VAL CG2 . 17451 1 1254 . 1 1 100 100 VAL N N 15 122.30 0.15 . 1 . . . . 156 VAL N . 17451 1 1255 . 1 1 101 101 LEU H H 1 8.85 0.02 . 1 . . . . 157 LEU H . 17451 1 1256 . 1 1 101 101 LEU HA H 1 3.96 0.02 . 1 . . . . 157 LEU HA . 17451 1 1257 . 1 1 101 101 LEU HB2 H 1 2.07 0.02 . 2 . . . . 157 LEU HB2 . 17451 1 1258 . 1 1 101 101 LEU HB3 H 1 1.48 0.02 . 2 . . . . 157 LEU HB3 . 17451 1 1259 . 1 1 101 101 LEU HG H 1 1.50 0.02 . 1 . . . . 157 LEU HG . 17451 1 1260 . 1 1 101 101 LEU HD11 H 1 0.79 0.02 . 2 . . . . 157 LEU HD1 . 17451 1 1261 . 1 1 101 101 LEU HD12 H 1 0.79 0.02 . 2 . . . . 157 LEU HD1 . 17451 1 1262 . 1 1 101 101 LEU HD13 H 1 0.79 0.02 . 2 . . . . 157 LEU HD1 . 17451 1 1263 . 1 1 101 101 LEU HD21 H 1 0.86 0.02 . 2 . . . . 157 LEU HD2 . 17451 1 1264 . 1 1 101 101 LEU HD22 H 1 0.86 0.02 . 2 . . . . 157 LEU HD2 . 17451 1 1265 . 1 1 101 101 LEU HD23 H 1 0.86 0.02 . 2 . . . . 157 LEU HD2 . 17451 1 1266 . 1 1 101 101 LEU C C 13 178.30 0.25 . 1 . . . . 157 LEU C . 17451 1 1267 . 1 1 101 101 LEU CA C 13 58.13 0.25 . 1 . . . . 157 LEU CA . 17451 1 1268 . 1 1 101 101 LEU CB C 13 40.44 0.25 . 1 . . . . 157 LEU CB . 17451 1 1269 . 1 1 101 101 LEU CG C 13 27.55 0.25 . 1 . . . . 157 LEU CG . 17451 1 1270 . 1 1 101 101 LEU CD1 C 13 26.51 0.25 . 2 . . . . 157 LEU CD1 . 17451 1 1271 . 1 1 101 101 LEU CD2 C 13 22.50 0.25 . 2 . . . . 157 LEU CD2 . 17451 1 1272 . 1 1 101 101 LEU N N 15 124.60 0.15 . 1 . . . . 157 LEU N . 17451 1 1273 . 1 1 102 102 LYS H H 1 8.82 0.02 . 1 . . . . 158 LYS H . 17451 1 1274 . 1 1 102 102 LYS HA H 1 3.83 0.02 . 1 . . . . 158 LYS HA . 17451 1 1275 . 1 1 102 102 LYS HB2 H 1 1.91 0.02 . 2 . . . . 158 LYS HB2 . 17451 1 1276 . 1 1 102 102 LYS HB3 H 1 1.82 0.02 . 2 . . . . 158 LYS HB3 . 17451 1 1277 . 1 1 102 102 LYS HG2 H 1 1.82 0.02 . 2 . . . . 158 LYS HG2 . 17451 1 1278 . 1 1 102 102 LYS HG3 H 1 1.01 0.02 . 2 . . . . 158 LYS HG3 . 17451 1 1279 . 1 1 102 102 LYS HD2 H 1 1.52 0.02 . 2 . . . . 158 LYS HD2 . 17451 1 1280 . 1 1 102 102 LYS HD3 H 1 1.52 0.02 . 2 . . . . 158 LYS HD3 . 17451 1 1281 . 1 1 102 102 LYS HE2 H 1 2.47 0.02 . 2 . . . . 158 LYS HE2 . 17451 1 1282 . 1 1 102 102 LYS HE3 H 1 2.12 0.02 . 2 . . . . 158 LYS HE3 . 17451 1 1283 . 1 1 102 102 LYS C C 13 178.20 0.25 . 1 . . . . 158 LYS C . 17451 1 1284 . 1 1 102 102 LYS CA C 13 61.07 0.25 . 1 . . . . 158 LYS CA . 17451 1 1285 . 1 1 102 102 LYS CB C 13 32.21 0.25 . 1 . . . . 158 LYS CB . 17451 1 1286 . 1 1 102 102 LYS CG C 13 28.32 0.25 . 1 . . . . 158 LYS CG . 17451 1 1287 . 1 1 102 102 LYS CD C 13 29.53 0.25 . 1 . . . . 158 LYS CD . 17451 1 1288 . 1 1 102 102 LYS CE C 13 41.03 0.25 . 1 . . . . 158 LYS CE . 17451 1 1289 . 1 1 102 102 LYS N N 15 117.60 0.15 . 1 . . . . 158 LYS N . 17451 1 1290 . 1 1 103 103 LYS H H 1 7.57 0.02 . 1 . . . . 159 LYS H . 17451 1 1291 . 1 1 103 103 LYS HA H 1 3.99 0.02 . 1 . . . . 159 LYS HA . 17451 1 1292 . 1 1 103 103 LYS HB2 H 1 1.92 0.02 . 2 . . . . 159 LYS HB2 . 17451 1 1293 . 1 1 103 103 LYS HB3 H 1 1.92 0.02 . 2 . . . . 159 LYS HB3 . 17451 1 1294 . 1 1 103 103 LYS HG2 H 1 1.56 0.02 . 2 . . . . 159 LYS HG2 . 17451 1 1295 . 1 1 103 103 LYS HG3 H 1 1.45 0.02 . 2 . . . . 159 LYS HG3 . 17451 1 1296 . 1 1 103 103 LYS HD2 H 1 1.67 0.02 . 2 . . . . 159 LYS HD2 . 17451 1 1297 . 1 1 103 103 LYS HD3 H 1 1.67 0.02 . 2 . . . . 159 LYS HD3 . 17451 1 1298 . 1 1 103 103 LYS HE2 H 1 2.95 0.02 . 2 . . . . 159 LYS HE2 . 17451 1 1299 . 1 1 103 103 LYS HE3 H 1 2.95 0.02 . 2 . . . . 159 LYS HE3 . 17451 1 1300 . 1 1 103 103 LYS C C 13 177.90 0.25 . 1 . . . . 159 LYS C . 17451 1 1301 . 1 1 103 103 LYS CA C 13 59.20 0.25 . 1 . . . . 159 LYS CA . 17451 1 1302 . 1 1 103 103 LYS CB C 13 31.90 0.25 . 1 . . . . 159 LYS CB . 17451 1 1303 . 1 1 103 103 LYS CG C 13 24.74 0.25 . 1 . . . . 159 LYS CG . 17451 1 1304 . 1 1 103 103 LYS CD C 13 28.73 0.25 . 1 . . . . 159 LYS CD . 17451 1 1305 . 1 1 103 103 LYS CE C 13 41.52 0.25 . 1 . . . . 159 LYS CE . 17451 1 1306 . 1 1 103 103 LYS N N 15 119.50 0.15 . 1 . . . . 159 LYS N . 17451 1 1307 . 1 1 104 104 THR H H 1 8.23 0.02 . 1 . . . . 160 THR H . 17451 1 1308 . 1 1 104 104 THR HA H 1 3.94 0.02 . 1 . . . . 160 THR HA . 17451 1 1309 . 1 1 104 104 THR HB H 1 4.31 0.02 . 1 . . . . 160 THR HB . 17451 1 1310 . 1 1 104 104 THR HG21 H 1 0.96 0.02 . 1 . . . . 160 THR HG2 . 17451 1 1311 . 1 1 104 104 THR HG22 H 1 0.96 0.02 . 1 . . . . 160 THR HG2 . 17451 1 1312 . 1 1 104 104 THR HG23 H 1 0.96 0.02 . 1 . . . . 160 THR HG2 . 17451 1 1313 . 1 1 104 104 THR C C 13 177.40 0.25 . 1 . . . . 160 THR C . 17451 1 1314 . 1 1 104 104 THR CA C 13 66.92 0.25 . 1 . . . . 160 THR CA . 17451 1 1315 . 1 1 104 104 THR CB C 13 68.26 0.25 . 1 . . . . 160 THR CB . 17451 1 1316 . 1 1 104 104 THR CG2 C 13 19.98 0.25 . 1 . . . . 160 THR CG2 . 17451 1 1317 . 1 1 104 104 THR N N 15 117.10 0.15 . 1 . . . . 160 THR N . 17451 1 1318 . 1 1 105 105 ILE H H 1 9.00 0.02 . 1 . . . . 161 ILE H . 17451 1 1319 . 1 1 105 105 ILE HA H 1 3.57 0.02 . 1 . . . . 161 ILE HA . 17451 1 1320 . 1 1 105 105 ILE HB H 1 1.91 0.02 . 1 . . . . 161 ILE HB . 17451 1 1321 . 1 1 105 105 ILE HG12 H 1 1.16 0.02 . 2 . . . . 161 ILE HG12 . 17451 1 1322 . 1 1 105 105 ILE HG13 H 1 1.87 0.02 . 2 . . . . 161 ILE HG13 . 17451 1 1323 . 1 1 105 105 ILE HG21 H 1 0.94 0.02 . 1 . . . . 161 ILE HG2 . 17451 1 1324 . 1 1 105 105 ILE HG22 H 1 0.94 0.02 . 1 . . . . 161 ILE HG2 . 17451 1 1325 . 1 1 105 105 ILE HG23 H 1 0.94 0.02 . 1 . . . . 161 ILE HG2 . 17451 1 1326 . 1 1 105 105 ILE HD11 H 1 0.76 0.02 . 1 . . . . 161 ILE HD1 . 17451 1 1327 . 1 1 105 105 ILE HD12 H 1 0.76 0.02 . 1 . . . . 161 ILE HD1 . 17451 1 1328 . 1 1 105 105 ILE HD13 H 1 0.76 0.02 . 1 . . . . 161 ILE HD1 . 17451 1 1329 . 1 1 105 105 ILE C C 13 176.90 0.25 . 1 . . . . 161 ILE C . 17451 1 1330 . 1 1 105 105 ILE CA C 13 65.92 0.25 . 1 . . . . 161 ILE CA . 17451 1 1331 . 1 1 105 105 ILE CB C 13 37.91 0.25 . 1 . . . . 161 ILE CB . 17451 1 1332 . 1 1 105 105 ILE CG1 C 13 27.83 0.25 . 1 . . . . 161 ILE CG1 . 17451 1 1333 . 1 1 105 105 ILE CG2 C 13 19.54 0.25 . 1 . . . . 161 ILE CG2 . 17451 1 1334 . 1 1 105 105 ILE CD1 C 13 14.93 0.25 . 1 . . . . 161 ILE CD1 . 17451 1 1335 . 1 1 105 105 ILE N N 15 125.10 0.15 . 1 . . . . 161 ILE N . 17451 1 1336 . 1 1 106 106 LYS H H 1 8.43 0.02 . 1 . . . . 162 LYS H . 17451 1 1337 . 1 1 106 106 LYS HA H 1 3.82 0.02 . 1 . . . . 162 LYS HA . 17451 1 1338 . 1 1 106 106 LYS HB2 H 1 2.04 0.02 . 2 . . . . 162 LYS HB2 . 17451 1 1339 . 1 1 106 106 LYS HB3 H 1 1.87 0.02 . 2 . . . . 162 LYS HB3 . 17451 1 1340 . 1 1 106 106 LYS HG2 H 1 1.45 0.02 . 2 . . . . 162 LYS HG2 . 17451 1 1341 . 1 1 106 106 LYS HG3 H 1 1.45 0.02 . 2 . . . . 162 LYS HG3 . 17451 1 1342 . 1 1 106 106 LYS HD2 H 1 1.72 0.02 . 2 . . . . 162 LYS HD2 . 17451 1 1343 . 1 1 106 106 LYS HD3 H 1 1.54 0.02 . 2 . . . . 162 LYS HD3 . 17451 1 1344 . 1 1 106 106 LYS HE2 H 1 2.94 0.02 . 2 . . . . 162 LYS HE2 . 17451 1 1345 . 1 1 106 106 LYS HE3 H 1 2.94 0.02 . 2 . . . . 162 LYS HE3 . 17451 1 1346 . 1 1 106 106 LYS C C 13 178.00 0.25 . 1 . . . . 162 LYS C . 17451 1 1347 . 1 1 106 106 LYS CA C 13 59.74 0.25 . 1 . . . . 162 LYS CA . 17451 1 1348 . 1 1 106 106 LYS CB C 13 31.86 0.25 . 1 . . . . 162 LYS CB . 17451 1 1349 . 1 1 106 106 LYS CG C 13 24.64 0.25 . 1 . . . . 162 LYS CG . 17451 1 1350 . 1 1 106 106 LYS CD C 13 28.24 0.25 . 1 . . . . 162 LYS CD . 17451 1 1351 . 1 1 106 106 LYS CE C 13 41.81 0.25 . 1 . . . . 162 LYS CE . 17451 1 1352 . 1 1 106 106 LYS N N 15 121.40 0.15 . 1 . . . . 162 LYS N . 17451 1 1353 . 1 1 107 107 ASN H H 1 8.46 0.02 . 1 . . . . 163 ASN H . 17451 1 1354 . 1 1 107 107 ASN HA H 1 4.45 0.02 . 1 . . . . 163 ASN HA . 17451 1 1355 . 1 1 107 107 ASN HB2 H 1 2.86 0.02 . 2 . . . . 163 ASN HB2 . 17451 1 1356 . 1 1 107 107 ASN HB3 H 1 2.39 0.02 . 2 . . . . 163 ASN HB3 . 17451 1 1357 . 1 1 107 107 ASN HD21 H 1 7.66 0.02 . 2 . . . . 163 ASN HD21 . 17451 1 1358 . 1 1 107 107 ASN HD22 H 1 7.03 0.02 . 2 . . . . 163 ASN HD22 . 17451 1 1359 . 1 1 107 107 ASN C C 13 177.50 0.25 . 1 . . . . 163 ASN C . 17451 1 1360 . 1 1 107 107 ASN CA C 13 55.60 0.25 . 1 . . . . 163 ASN CA . 17451 1 1361 . 1 1 107 107 ASN CB C 13 38.19 0.25 . 1 . . . . 163 ASN CB . 17451 1 1362 . 1 1 107 107 ASN N N 15 115.50 0.15 . 1 . . . . 163 ASN N . 17451 1 1363 . 1 1 107 107 ASN ND2 N 15 112.50 0.15 . 1 . . . . 163 ASN ND2 . 17451 1 1364 . 1 1 108 108 THR H H 1 7.96 0.02 . 1 . . . . 164 THR H . 17451 1 1365 . 1 1 108 108 THR HA H 1 3.71 0.02 . 1 . . . . 164 THR HA . 17451 1 1366 . 1 1 108 108 THR HB H 1 4.13 0.02 . 1 . . . . 164 THR HB . 17451 1 1367 . 1 1 108 108 THR HG21 H 1 1.01 0.02 . 1 . . . . 164 THR HG2 . 17451 1 1368 . 1 1 108 108 THR HG22 H 1 1.01 0.02 . 1 . . . . 164 THR HG2 . 17451 1 1369 . 1 1 108 108 THR HG23 H 1 1.01 0.02 . 1 . . . . 164 THR HG2 . 17451 1 1370 . 1 1 108 108 THR C C 13 175.90 0.25 . 1 . . . . 164 THR C . 17451 1 1371 . 1 1 108 108 THR CA C 13 67.97 0.25 . 1 . . . . 164 THR CA . 17451 1 1372 . 1 1 108 108 THR CB C 13 67.12 0.25 . 1 . . . . 164 THR CB . 17451 1 1373 . 1 1 108 108 THR CG2 C 13 21.47 0.25 . 1 . . . . 164 THR CG2 . 17451 1 1374 . 1 1 108 108 THR N N 15 117.60 0.15 . 1 . . . . 164 THR N . 17451 1 1375 . 1 1 109 109 LEU H H 1 8.95 0.02 . 1 . . . . 165 LEU H . 17451 1 1376 . 1 1 109 109 LEU HA H 1 4.01 0.02 . 1 . . . . 165 LEU HA . 17451 1 1377 . 1 1 109 109 LEU HB2 H 1 2.05 0.02 . 2 . . . . 165 LEU HB2 . 17451 1 1378 . 1 1 109 109 LEU HB3 H 1 1.52 0.02 . 2 . . . . 165 LEU HB3 . 17451 1 1379 . 1 1 109 109 LEU HG H 1 1.70 0.02 . 1 . . . . 165 LEU HG . 17451 1 1380 . 1 1 109 109 LEU HD11 H 1 0.82 0.02 . 2 . . . . 165 LEU HD1 . 17451 1 1381 . 1 1 109 109 LEU HD12 H 1 0.82 0.02 . 2 . . . . 165 LEU HD1 . 17451 1 1382 . 1 1 109 109 LEU HD13 H 1 0.82 0.02 . 2 . . . . 165 LEU HD1 . 17451 1 1383 . 1 1 109 109 LEU HD21 H 1 0.87 0.02 . 2 . . . . 165 LEU HD2 . 17451 1 1384 . 1 1 109 109 LEU HD22 H 1 0.87 0.02 . 2 . . . . 165 LEU HD2 . 17451 1 1385 . 1 1 109 109 LEU HD23 H 1 0.87 0.02 . 2 . . . . 165 LEU HD2 . 17451 1 1386 . 1 1 109 109 LEU C C 13 179.50 0.25 . 1 . . . . 165 LEU C . 17451 1 1387 . 1 1 109 109 LEU CA C 13 57.76 0.25 . 1 . . . . 165 LEU CA . 17451 1 1388 . 1 1 109 109 LEU CB C 13 41.56 0.25 . 1 . . . . 165 LEU CB . 17451 1 1389 . 1 1 109 109 LEU CG C 13 26.39 0.25 . 1 . . . . 165 LEU CG . 17451 1 1390 . 1 1 109 109 LEU CD1 C 13 26.02 0.25 . 2 . . . . 165 LEU CD1 . 17451 1 1391 . 1 1 109 109 LEU CD2 C 13 23.45 0.25 . 2 . . . . 165 LEU CD2 . 17451 1 1392 . 1 1 109 109 LEU N N 15 123.50 0.15 . 1 . . . . 165 LEU N . 17451 1 1393 . 1 1 110 110 ASP H H 1 8.39 0.02 . 1 . . . . 166 ASP H . 17451 1 1394 . 1 1 110 110 ASP HA H 1 4.40 0.02 . 1 . . . . 166 ASP HA . 17451 1 1395 . 1 1 110 110 ASP HB2 H 1 2.87 0.02 . 2 . . . . 166 ASP HB2 . 17451 1 1396 . 1 1 110 110 ASP HB3 H 1 2.66 0.02 . 2 . . . . 166 ASP HB3 . 17451 1 1397 . 1 1 110 110 ASP C C 13 179.30 0.25 . 1 . . . . 166 ASP C . 17451 1 1398 . 1 1 110 110 ASP CA C 13 57.21 0.25 . 1 . . . . 166 ASP CA . 17451 1 1399 . 1 1 110 110 ASP CB C 13 39.62 0.25 . 1 . . . . 166 ASP CB . 17451 1 1400 . 1 1 110 110 ASP N N 15 120.00 0.15 . 1 . . . . 166 ASP N . 17451 1 1401 . 1 1 111 111 ILE H H 1 7.70 0.02 . 1 . . . . 167 ILE H . 17451 1 1402 . 1 1 111 111 ILE HA H 1 3.75 0.02 . 1 . . . . 167 ILE HA . 17451 1 1403 . 1 1 111 111 ILE HB H 1 2.03 0.02 . 1 . . . . 167 ILE HB . 17451 1 1404 . 1 1 111 111 ILE HG12 H 1 1.15 0.02 . 2 . . . . 167 ILE HG12 . 17451 1 1405 . 1 1 111 111 ILE HG13 H 1 1.98 0.02 . 2 . . . . 167 ILE HG13 . 17451 1 1406 . 1 1 111 111 ILE HG21 H 1 0.95 0.02 . 1 . . . . 167 ILE HG2 . 17451 1 1407 . 1 1 111 111 ILE HG22 H 1 0.95 0.02 . 1 . . . . 167 ILE HG2 . 17451 1 1408 . 1 1 111 111 ILE HG23 H 1 0.95 0.02 . 1 . . . . 167 ILE HG2 . 17451 1 1409 . 1 1 111 111 ILE HD11 H 1 0.89 0.02 . 1 . . . . 167 ILE HD1 . 17451 1 1410 . 1 1 111 111 ILE HD12 H 1 0.89 0.02 . 1 . . . . 167 ILE HD1 . 17451 1 1411 . 1 1 111 111 ILE HD13 H 1 0.89 0.02 . 1 . . . . 167 ILE HD1 . 17451 1 1412 . 1 1 111 111 ILE C C 13 177.30 0.25 . 1 . . . . 167 ILE C . 17451 1 1413 . 1 1 111 111 ILE CA C 13 64.84 0.25 . 1 . . . . 167 ILE CA . 17451 1 1414 . 1 1 111 111 ILE CB C 13 38.00 0.25 . 1 . . . . 167 ILE CB . 17451 1 1415 . 1 1 111 111 ILE CG1 C 13 29.75 0.25 . 1 . . . . 167 ILE CG1 . 17451 1 1416 . 1 1 111 111 ILE CG2 C 13 17.72 0.25 . 1 . . . . 167 ILE CG2 . 17451 1 1417 . 1 1 111 111 ILE CD1 C 13 14.76 0.25 . 1 . . . . 167 ILE CD1 . 17451 1 1418 . 1 1 111 111 ILE N N 15 122.00 0.15 . 1 . . . . 167 ILE N . 17451 1 1419 . 1 1 112 112 HIS H H 1 8.71 0.02 . 1 . . . . 168 HIS H . 17451 1 1420 . 1 1 112 112 HIS HA H 1 4.06 0.02 . 1 . . . . 168 HIS HA . 17451 1 1421 . 1 1 112 112 HIS HB2 H 1 3.38 0.02 . 2 . . . . 168 HIS HB2 . 17451 1 1422 . 1 1 112 112 HIS HB3 H 1 3.01 0.02 . 2 . . . . 168 HIS HB3 . 17451 1 1423 . 1 1 112 112 HIS HD2 H 1 6.85 0.02 . 1 . . . . 168 HIS HD2 . 17451 1 1424 . 1 1 112 112 HIS HE1 H 1 7.65 0.02 . 1 . . . . 168 HIS HE1 . 17451 1 1425 . 1 1 112 112 HIS C C 13 177.80 0.25 . 1 . . . . 168 HIS C . 17451 1 1426 . 1 1 112 112 HIS CA C 13 60.40 0.25 . 1 . . . . 168 HIS CA . 17451 1 1427 . 1 1 112 112 HIS CB C 13 31.27 0.25 . 1 . . . . 168 HIS CB . 17451 1 1428 . 1 1 112 112 HIS CD2 C 13 119.40 0.25 . 1 . . . . 168 HIS CD2 . 17451 1 1429 . 1 1 112 112 HIS CE1 C 13 138.30 0.25 . 1 . . . . 168 HIS CE1 . 17451 1 1430 . 1 1 112 112 HIS N N 15 120.60 0.15 . 1 . . . . 168 HIS N . 17451 1 1431 . 1 1 113 113 LYS H H 1 8.54 0.02 . 1 . . . . 169 LYS H . 17451 1 1432 . 1 1 113 113 LYS HA H 1 3.86 0.02 . 1 . . . . 169 LYS HA . 17451 1 1433 . 1 1 113 113 LYS HB2 H 1 1.99 0.02 . 2 . . . . 169 LYS HB2 . 17451 1 1434 . 1 1 113 113 LYS HB3 H 1 1.93 0.02 . 2 . . . . 169 LYS HB3 . 17451 1 1435 . 1 1 113 113 LYS HG2 H 1 1.60 0.02 . 2 . . . . 169 LYS HG2 . 17451 1 1436 . 1 1 113 113 LYS HG3 H 1 1.47 0.02 . 2 . . . . 169 LYS HG3 . 17451 1 1437 . 1 1 113 113 LYS HD2 H 1 1.59 0.02 . 2 . . . . 169 LYS HD2 . 17451 1 1438 . 1 1 113 113 LYS HD3 H 1 1.59 0.02 . 2 . . . . 169 LYS HD3 . 17451 1 1439 . 1 1 113 113 LYS HE2 H 1 2.91 0.02 . 2 . . . . 169 LYS HE2 . 17451 1 1440 . 1 1 113 113 LYS HE3 H 1 2.91 0.02 . 2 . . . . 169 LYS HE3 . 17451 1 1441 . 1 1 113 113 LYS C C 13 177.90 0.25 . 1 . . . . 169 LYS C . 17451 1 1442 . 1 1 113 113 LYS CA C 13 59.03 0.25 . 1 . . . . 169 LYS CA . 17451 1 1443 . 1 1 113 113 LYS CB C 13 31.91 0.25 . 1 . . . . 169 LYS CB . 17451 1 1444 . 1 1 113 113 LYS CG C 13 25.09 0.25 . 1 . . . . 169 LYS CG . 17451 1 1445 . 1 1 113 113 LYS CD C 13 28.88 0.25 . 1 . . . . 169 LYS CD . 17451 1 1446 . 1 1 113 113 LYS CE C 13 41.67 0.25 . 1 . . . . 169 LYS CE . 17451 1 1447 . 1 1 113 113 LYS N N 15 119.30 0.15 . 1 . . . . 169 LYS N . 17451 1 1448 . 1 1 114 114 SER H H 1 7.75 0.02 . 1 . . . . 170 SER H . 17451 1 1449 . 1 1 114 114 SER HA H 1 4.24 0.02 . 1 . . . . 170 SER HA . 17451 1 1450 . 1 1 114 114 SER HB2 H 1 4.05 0.02 . 2 . . . . 170 SER HB2 . 17451 1 1451 . 1 1 114 114 SER HB3 H 1 3.94 0.02 . 2 . . . . 170 SER HB3 . 17451 1 1452 . 1 1 114 114 SER C C 13 175.70 0.25 . 1 . . . . 170 SER C . 17451 1 1453 . 1 1 114 114 SER CA C 13 61.00 0.25 . 1 . . . . 170 SER CA . 17451 1 1454 . 1 1 114 114 SER CB C 13 63.07 0.25 . 1 . . . . 170 SER CB . 17451 1 1455 . 1 1 114 114 SER N N 15 114.00 0.15 . 1 . . . . 170 SER N . 17451 1 1456 . 1 1 115 115 ILE H H 1 7.85 0.02 . 1 . . . . 171 ILE H . 17451 1 1457 . 1 1 115 115 ILE HA H 1 4.09 0.02 . 1 . . . . 171 ILE HA . 17451 1 1458 . 1 1 115 115 ILE HB H 1 1.93 0.02 . 1 . . . . 171 ILE HB . 17451 1 1459 . 1 1 115 115 ILE HG12 H 1 1.55 0.02 . 2 . . . . 171 ILE HG12 . 17451 1 1460 . 1 1 115 115 ILE HG13 H 1 1.25 0.02 . 2 . . . . 171 ILE HG13 . 17451 1 1461 . 1 1 115 115 ILE HG21 H 1 0.86 0.02 . 1 . . . . 171 ILE HG2 . 17451 1 1462 . 1 1 115 115 ILE HG22 H 1 0.86 0.02 . 1 . . . . 171 ILE HG2 . 17451 1 1463 . 1 1 115 115 ILE HG23 H 1 0.86 0.02 . 1 . . . . 171 ILE HG2 . 17451 1 1464 . 1 1 115 115 ILE HD11 H 1 0.80 0.02 . 1 . . . . 171 ILE HD1 . 17451 1 1465 . 1 1 115 115 ILE HD12 H 1 0.80 0.02 . 1 . . . . 171 ILE HD1 . 17451 1 1466 . 1 1 115 115 ILE HD13 H 1 0.80 0.02 . 1 . . . . 171 ILE HD1 . 17451 1 1467 . 1 1 115 115 ILE C C 13 177.10 0.25 . 1 . . . . 171 ILE C . 17451 1 1468 . 1 1 115 115 ILE CA C 13 62.58 0.25 . 1 . . . . 171 ILE CA . 17451 1 1469 . 1 1 115 115 ILE CB C 13 38.11 0.25 . 1 . . . . 171 ILE CB . 17451 1 1470 . 1 1 115 115 ILE CG1 C 13 27.15 0.25 . 1 . . . . 171 ILE CG1 . 17451 1 1471 . 1 1 115 115 ILE CG2 C 13 17.18 0.25 . 1 . . . . 171 ILE CG2 . 17451 1 1472 . 1 1 115 115 ILE CD1 C 13 13.84 0.25 . 1 . . . . 171 ILE CD1 . 17451 1 1473 . 1 1 115 115 ILE N N 15 118.20 0.15 . 1 . . . . 171 ILE N . 17451 1 1474 . 1 1 116 116 THR H H 1 7.70 0.02 . 1 . . . . 172 THR H . 17451 1 1475 . 1 1 116 116 THR HA H 1 4.13 0.02 . 1 . . . . 172 THR HA . 17451 1 1476 . 1 1 116 116 THR HB H 1 4.04 0.02 . 1 . . . . 172 THR HB . 17451 1 1477 . 1 1 116 116 THR HG21 H 1 1.01 0.02 . 1 . . . . 172 THR HG2 . 17451 1 1478 . 1 1 116 116 THR HG22 H 1 1.01 0.02 . 1 . . . . 172 THR HG2 . 17451 1 1479 . 1 1 116 116 THR HG23 H 1 1.01 0.02 . 1 . . . . 172 THR HG2 . 17451 1 1480 . 1 1 116 116 THR C C 13 175.30 0.25 . 1 . . . . 172 THR C . 17451 1 1481 . 1 1 116 116 THR CA C 13 63.18 0.25 . 1 . . . . 172 THR CA . 17451 1 1482 . 1 1 116 116 THR CB C 13 69.01 0.25 . 1 . . . . 172 THR CB . 17451 1 1483 . 1 1 116 116 THR CG2 C 13 20.93 0.25 . 1 . . . . 172 THR CG2 . 17451 1 1484 . 1 1 116 116 THR N N 15 114.60 0.15 . 1 . . . . 172 THR N . 17451 1 1485 . 1 1 117 117 ILE H H 1 7.78 0.02 . 1 . . . . 173 ILE H . 17451 1 1486 . 1 1 117 117 ILE HA H 1 4.03 0.02 . 1 . . . . 173 ILE HA . 17451 1 1487 . 1 1 117 117 ILE HB H 1 1.88 0.02 . 1 . . . . 173 ILE HB . 17451 1 1488 . 1 1 117 117 ILE HG12 H 1 1.45 0.02 . 2 . . . . 173 ILE HG12 . 17451 1 1489 . 1 1 117 117 ILE HG13 H 1 1.17 0.02 . 2 . . . . 173 ILE HG13 . 17451 1 1490 . 1 1 117 117 ILE HG21 H 1 0.85 0.02 . 1 . . . . 173 ILE HG2 . 17451 1 1491 . 1 1 117 117 ILE HG22 H 1 0.85 0.02 . 1 . . . . 173 ILE HG2 . 17451 1 1492 . 1 1 117 117 ILE HG23 H 1 0.85 0.02 . 1 . . . . 173 ILE HG2 . 17451 1 1493 . 1 1 117 117 ILE HD11 H 1 0.80 0.02 . 1 . . . . 173 ILE HD1 . 17451 1 1494 . 1 1 117 117 ILE HD12 H 1 0.80 0.02 . 1 . . . . 173 ILE HD1 . 17451 1 1495 . 1 1 117 117 ILE HD13 H 1 0.80 0.02 . 1 . . . . 173 ILE HD1 . 17451 1 1496 . 1 1 117 117 ILE C C 13 175.90 0.25 . 1 . . . . 173 ILE C . 17451 1 1497 . 1 1 117 117 ILE CA C 13 61.80 0.25 . 1 . . . . 173 ILE CA . 17451 1 1498 . 1 1 117 117 ILE CB C 13 37.99 0.25 . 1 . . . . 173 ILE CB . 17451 1 1499 . 1 1 117 117 ILE CG1 C 13 27.30 0.25 . 1 . . . . 173 ILE CG1 . 17451 1 1500 . 1 1 117 117 ILE CG2 C 13 16.97 0.25 . 1 . . . . 173 ILE CG2 . 17451 1 1501 . 1 1 117 117 ILE CD1 C 13 12.74 0.25 . 1 . . . . 173 ILE CD1 . 17451 1 1502 . 1 1 117 117 ILE N N 15 121.90 0.15 . 1 . . . . 173 ILE N . 17451 1 1503 . 1 1 118 118 ASN H H 1 8.09 0.02 . 1 . . . . 174 ASN H . 17451 1 1504 . 1 1 118 118 ASN HA H 1 4.67 0.02 . 1 . . . . 174 ASN HA . 17451 1 1505 . 1 1 118 118 ASN HB2 H 1 2.78 0.02 . 2 . . . . 174 ASN HB2 . 17451 1 1506 . 1 1 118 118 ASN HB3 H 1 2.66 0.02 . 2 . . . . 174 ASN HB3 . 17451 1 1507 . 1 1 118 118 ASN HD21 H 1 7.56 0.02 . 2 . . . . 174 ASN HD21 . 17451 1 1508 . 1 1 118 118 ASN HD22 H 1 6.86 0.02 . 2 . . . . 174 ASN HD22 . 17451 1 1509 . 1 1 118 118 ASN C C 13 174.30 0.25 . 1 . . . . 174 ASN C . 17451 1 1510 . 1 1 118 118 ASN CA C 13 52.94 0.25 . 1 . . . . 174 ASN CA . 17451 1 1511 . 1 1 118 118 ASN CB C 13 38.72 0.25 . 1 . . . . 174 ASN CB . 17451 1 1512 . 1 1 118 118 ASN N N 15 120.20 0.15 . 1 . . . . 174 ASN N . 17451 1 1513 . 1 1 118 118 ASN ND2 N 15 113.10 0.15 . 1 . . . . 174 ASN ND2 . 17451 1 1514 . 1 1 119 119 ASN H H 1 8.09 0.02 . 1 . . . . 175 ASN H . 17451 1 1515 . 1 1 119 119 ASN HA H 1 4.94 0.02 . 1 . . . . 175 ASN HA . 17451 1 1516 . 1 1 119 119 ASN HB2 H 1 2.74 0.02 . 2 . . . . 175 ASN HB2 . 17451 1 1517 . 1 1 119 119 ASN HB3 H 1 2.64 0.02 . 2 . . . . 175 ASN HB3 . 17451 1 1518 . 1 1 119 119 ASN HD21 H 1 7.57 0.02 . 2 . . . . 175 ASN HD21 . 17451 1 1519 . 1 1 119 119 ASN HD22 H 1 6.87 0.02 . 2 . . . . 175 ASN HD22 . 17451 1 1520 . 1 1 119 119 ASN CA C 13 51.16 0.25 . 1 . . . . 175 ASN CA . 17451 1 1521 . 1 1 119 119 ASN CB C 13 38.43 0.25 . 1 . . . . 175 ASN CB . 17451 1 1522 . 1 1 119 119 ASN N N 15 120.20 0.15 . 1 . . . . 175 ASN N . 17451 1 1523 . 1 1 119 119 ASN ND2 N 15 112.80 0.15 . 1 . . . . 175 ASN ND2 . 17451 1 1524 . 1 1 120 120 PRO HA H 1 4.39 0.02 . 1 . . . . 176 PRO HA . 17451 1 1525 . 1 1 120 120 PRO HB2 H 1 2.22 0.02 . 2 . . . . 176 PRO HB2 . 17451 1 1526 . 1 1 120 120 PRO HB3 H 1 1.94 0.02 . 2 . . . . 176 PRO HB3 . 17451 1 1527 . 1 1 120 120 PRO HG2 H 1 1.97 0.02 . 2 . . . . 176 PRO HG2 . 17451 1 1528 . 1 1 120 120 PRO HG3 H 1 1.97 0.02 . 2 . . . . 176 PRO HG3 . 17451 1 1529 . 1 1 120 120 PRO HD2 H 1 3.68 0.02 . 2 . . . . 176 PRO HD2 . 17451 1 1530 . 1 1 120 120 PRO HD3 H 1 3.63 0.02 . 2 . . . . 176 PRO HD3 . 17451 1 1531 . 1 1 120 120 PRO C C 13 175.90 0.25 . 1 . . . . 176 PRO C . 17451 1 1532 . 1 1 120 120 PRO CA C 13 63.18 0.25 . 1 . . . . 176 PRO CA . 17451 1 1533 . 1 1 120 120 PRO CB C 13 31.66 0.25 . 1 . . . . 176 PRO CB . 17451 1 1534 . 1 1 120 120 PRO CG C 13 26.91 0.25 . 1 . . . . 176 PRO CG . 17451 1 1535 . 1 1 120 120 PRO CD C 13 50.24 0.25 . 1 . . . . 176 PRO CD . 17451 1 1536 . 1 1 121 121 LYS H H 1 7.96 0.02 . 1 . . . . 177 LYS H . 17451 1 1537 . 1 1 121 121 LYS HA H 1 4.10 0.02 . 1 . . . . 177 LYS HA . 17451 1 1538 . 1 1 121 121 LYS HB2 H 1 1.79 0.02 . 2 . . . . 177 LYS HB2 . 17451 1 1539 . 1 1 121 121 LYS HB3 H 1 1.67 0.02 . 2 . . . . 177 LYS HB3 . 17451 1 1540 . 1 1 121 121 LYS HG2 H 1 1.39 0.02 . 2 . . . . 177 LYS HG2 . 17451 1 1541 . 1 1 121 121 LYS HG3 H 1 1.39 0.02 . 2 . . . . 177 LYS HG3 . 17451 1 1542 . 1 1 121 121 LYS HD2 H 1 1.65 0.02 . 2 . . . . 177 LYS HD2 . 17451 1 1543 . 1 1 121 121 LYS HD3 H 1 1.65 0.02 . 2 . . . . 177 LYS HD3 . 17451 1 1544 . 1 1 121 121 LYS HE2 H 1 2.96 0.02 . 2 . . . . 177 LYS HE2 . 17451 1 1545 . 1 1 121 121 LYS HE3 H 1 2.96 0.02 . 2 . . . . 177 LYS HE3 . 17451 1 1546 . 1 1 121 121 LYS CA C 13 57.28 0.25 . 1 . . . . 177 LYS CA . 17451 1 1547 . 1 1 121 121 LYS CB C 13 33.33 0.25 . 1 . . . . 177 LYS CB . 17451 1 1548 . 1 1 121 121 LYS CG C 13 24.45 0.25 . 1 . . . . 177 LYS CG . 17451 1 1549 . 1 1 121 121 LYS CD C 13 28.58 0.25 . 1 . . . . 177 LYS CD . 17451 1 1550 . 1 1 121 121 LYS CE C 13 41.67 0.25 . 1 . . . . 177 LYS CE . 17451 1 1551 . 1 1 121 121 LYS N N 15 126.90 0.15 . 1 . . . . 177 LYS N . 17451 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17451 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '2D 1H-15N IPAP HSQC' . . . 17451 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -17.2 . . . . . . . 76 VAL N . 76 VAL HN 17451 1 2 DHN . 1 1 21 21 VAL N N 15 . . 1 1 21 21 VAL H H 1 . -15.2 . . . . . . . 77 VAL N . 77 VAL HN 17451 1 3 DHN . 1 1 22 22 GLY N N 15 . . 1 1 22 22 GLY H H 1 . -15.1 . . . . . . . 78 GLY N . 78 GLY HN 17451 1 4 DHN . 1 1 23 23 VAL N N 15 . . 1 1 23 23 VAL H H 1 . -20.0 . . . . . . . 79 VAL N . 79 VAL HN 17451 1 5 DHN . 1 1 25 25 GLU N N 15 . . 1 1 25 25 GLU H H 1 . -16.6 . . . . . . . 81 GLU N . 81 GLU HN 17451 1 6 DHN . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . -18.0 . . . . . . . 82 SER N . 82 SER HN 17451 1 7 DHN . 1 1 28 28 ILE N N 15 . . 1 1 28 28 ILE H H 1 . -17.0 . . . . . . . 84 ILE N . 84 ILE HN 17451 1 8 DHN . 1 1 37 37 GLN N N 15 . . 1 1 37 37 GLN H H 1 . 15.1 . . . . . . . 93 GLN N . 93 GLN HN 17451 1 9 DHN . 1 1 38 38 SER N N 15 . . 1 1 38 38 SER H H 1 . -4.2 . . . . . . . 94 SER N . 94 SER HN 17451 1 10 DHN . 1 1 39 39 ALA N N 15 . . 1 1 39 39 ALA H H 1 . -4.6 . . . . . . . 95 ALA N . 95 ALA HN 17451 1 11 DHN . 1 1 40 40 CYS N N 15 . . 1 1 40 40 CYS H H 1 . 15.9 . . . . . . . 96 CYS N . 96 CYS HN 17451 1 12 DHN . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . -4.3 . . . . . . . 98 ALA N . 98 ALA HN 17451 1 13 DHN . 1 1 45 45 LYS N N 15 . . 1 1 45 45 LYS H H 1 . 4.8 . . . . . . . 101 LYS N . 101 LYS HN 17451 1 14 DHN . 1 1 46 46 LEU N N 15 . . 1 1 46 46 LEU H H 1 . -1.3 . . . . . . . 102 LEU N . 102 LEU HN 17451 1 15 DHN . 1 1 52 52 SER N N 15 . . 1 1 52 52 SER H H 1 . 2.9 . . . . . . . 108 SER N . 108 SER HN 17451 1 16 DHN . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H H 1 . 7.6 . . . . . . . 109 ASP N . 109 ASP HN 17451 1 17 DHN . 1 1 54 54 ASP N N 15 . . 1 1 54 54 ASP H H 1 . 33.0 . . . . . . . 110 ASP N . 110 ASP HN 17451 1 18 DHN . 1 1 55 55 ILE N N 15 . . 1 1 55 55 ILE H H 1 . 7.7 . . . . . . . 111 ILE N . 111 ILE HN 17451 1 19 DHN . 1 1 57 57 LYS N N 15 . . 1 1 57 57 LYS H H 1 . 19.2 . . . . . . . 113 LYS N . 113 LYS HN 17451 1 20 DHN . 1 1 58 58 LEU N N 15 . . 1 1 58 58 LEU H H 1 . 27.6 . . . . . . . 114 LEU N . 114 LEU HN 17451 1 21 DHN . 1 1 60 60 ASP N N 15 . . 1 1 60 60 ASP H H 1 . 9.6 . . . . . . . 116 ASP N . 116 ASP HN 17451 1 22 DHN . 1 1 62 62 GLU N N 15 . . 1 1 62 62 GLU H H 1 . -1.4 . . . . . . . 118 GLU N . 118 GLU HN 17451 1 23 DHN . 1 1 68 68 LYS N N 15 . . 1 1 68 68 LYS H H 1 . 23.6 . . . . . . . 124 LYS N . 124 LYS HN 17451 1 24 DHN . 1 1 69 69 ILE N N 15 . . 1 1 69 69 ILE H H 1 . 14.4 . . . . . . . 125 ILE N . 125 ILE HN 17451 1 25 DHN . 1 1 70 70 ARG N N 15 . . 1 1 70 70 ARG H H 1 . -3.0 . . . . . . . 126 ARG N . 126 ARG HN 17451 1 26 DHN . 1 1 71 71 VAL N N 15 . . 1 1 71 71 VAL H H 1 . 15.5 . . . . . . . 127 VAL N . 127 VAL HN 17451 1 27 DHN . 1 1 73 73 ASN N N 15 . . 1 1 73 73 ASN H H 1 . 6.4 . . . . . . . 129 ASN N . 129 ASN HN 17451 1 28 DHN . 1 1 74 74 THR N N 15 . . 1 1 74 74 THR H H 1 . -5.4 . . . . . . . 130 THR N . 130 THR HN 17451 1 29 DHN . 1 1 75 75 VAL N N 15 . . 1 1 75 75 VAL H H 1 . 13.7 . . . . . . . 131 VAL N . 131 VAL HN 17451 1 30 DHN . 1 1 77 77 SER N N 15 . . 1 1 77 77 SER H H 1 . -3.2 . . . . . . . 133 SER N . 133 SER HN 17451 1 31 DHN . 1 1 79 79 ILE N N 15 . . 1 1 79 79 ILE H H 1 . 20.5 . . . . . . . 135 ILE N . 135 ILE HN 17451 1 32 DHN . 1 1 80 80 GLU N N 15 . . 1 1 80 80 GLU H H 1 . 8.2 . . . . . . . 136 GLU N . 136 GLU HN 17451 1 33 DHN . 1 1 81 81 SER N N 15 . . 1 1 81 81 SER H H 1 . -7.6 . . . . . . . 137 SER N . 137 SER HN 17451 1 34 DHN . 1 1 82 82 ASN N N 15 . . 1 1 82 82 ASN H H 1 . 8.0 . . . . . . . 138 ASN N . 138 ASN HN 17451 1 35 DHN . 1 1 83 83 ARG N N 15 . . 1 1 83 83 ARG H H 1 . 25.3 . . . . . . . 139 ARG N . 139 ARG HN 17451 1 36 DHN . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . -2.8 . . . . . . . 140 LYS N . 140 LYS HN 17451 1 37 DHN . 1 1 88 88 GLN N N 15 . . 1 1 88 88 GLN H H 1 . -15.0 . . . . . . . 144 GLN N . 144 GLN HN 17451 1 38 DHN . 1 1 89 89 THR N N 15 . . 1 1 89 89 THR H H 1 . -17.1 . . . . . . . 145 THR N . 145 THR HN 17451 1 39 DHN . 1 1 93 93 LEU N N 15 . . 1 1 93 93 LEU H H 1 . -13.7 . . . . . . . 149 LEU N . 149 LEU HN 17451 1 40 DHN . 1 1 95 95 ARG N N 15 . . 1 1 95 95 ARG H H 1 . -9.4 . . . . . . . 151 ARG N . 151 ARG HN 17451 1 41 DHN . 1 1 99 99 ASP N N 15 . . 1 1 99 99 ASP H H 1 . -10.9 . . . . . . . 155 ASP N . 155 ASP HN 17451 1 42 DHN . 1 1 100 100 VAL N N 15 . . 1 1 100 100 VAL H H 1 . 10.2 . . . . . . . 156 VAL N . 156 VAL HN 17451 1 43 DHN . 1 1 101 101 LEU N N 15 . . 1 1 101 101 LEU H H 1 . 8.5 . . . . . . . 157 LEU N . 157 LEU HN 17451 1 44 DHN . 1 1 102 102 LYS N N 15 . . 1 1 102 102 LYS H H 1 . -6.1 . . . . . . . 158 LYS N . 158 LYS HN 17451 1 45 DHN . 1 1 103 103 LYS N N 15 . . 1 1 103 103 LYS H H 1 . -10.6 . . . . . . . 159 LYS N . 159 LYS HN 17451 1 46 DHN . 1 1 104 104 THR N N 15 . . 1 1 104 104 THR H H 1 . 10.0 . . . . . . . 160 THR N . 160 THR HN 17451 1 47 DHN . 1 1 106 106 LYS N N 15 . . 1 1 106 106 LYS H H 1 . -12.3 . . . . . . . 162 LYS N . 162 LYS HN 17451 1 48 DHN . 1 1 107 107 ASN N N 15 . . 1 1 107 107 ASN H H 1 . -7.3 . . . . . . . 163 ASN N . 163 ASN HN 17451 1 49 DHN . 1 1 108 108 THR N N 15 . . 1 1 108 108 THR H H 1 . 12.5 . . . . . . . 164 THR N . 164 THR HN 17451 1 50 DHN . 1 1 109 109 LEU N N 15 . . 1 1 109 109 LEU H H 1 . -7.0 . . . . . . . 165 LEU N . 165 LEU HN 17451 1 51 DHN . 1 1 110 110 ASP N N 15 . . 1 1 110 110 ASP H H 1 . -12.4 . . . . . . . 166 ASP N . 166 ASP HN 17451 1 52 DHN . 1 1 112 112 HIS N N 15 . . 1 1 112 112 HIS H H 1 . 1.5 . . . . . . . 168 HIS N . 168 HIS HN 17451 1 53 DHN . 1 1 113 113 LYS N N 15 . . 1 1 113 113 LYS H H 1 . -11.1 . . . . . . . 169 LYS N . 169 LYS HN 17451 1 54 DHN . 1 1 114 114 SER N N 15 . . 1 1 114 114 SER H H 1 . -10.3 . . . . . . . 170 SER N . 170 SER HN 17451 1 55 DHN . 1 1 115 115 ILE N N 15 . . 1 1 115 115 ILE H H 1 . 10.7 . . . . . . . 171 ILE N . 171 ILE HN 17451 1 56 DHN . 1 1 116 116 THR N N 15 . . 1 1 116 116 THR H H 1 . -7.2 . . . . . . . 172 THR N . 172 THR HN 17451 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 17451 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 15 '2D 1H-15N IPAP HSQC' . . . 17451 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 20 20 VAL N N 15 . . 1 1 20 20 VAL H H 1 . -8.7 . . . . . . . 76 VAL N . 76 VAL HN 17451 2 2 DHN . 1 1 21 21 VAL N N 15 . . 1 1 21 21 VAL H H 1 . -6.2 . . . . . . . 77 VAL N . 77 VAL HN 17451 2 3 DHN . 1 1 23 23 VAL N N 15 . . 1 1 23 23 VAL H H 1 . -9.7 . . . . . . . 79 VAL N . 79 VAL HN 17451 2 4 DHN . 1 1 24 24 LEU N N 15 . . 1 1 24 24 LEU H H 1 . -8.9 . . . . . . . 80 LEU N . 80 LEU HN 17451 2 5 DHN . 1 1 25 25 GLU N N 15 . . 1 1 25 25 GLU H H 1 . -9.6 . . . . . . . 81 GLU N . 81 GLU HN 17451 2 6 DHN . 1 1 27 27 TYR N N 15 . . 1 1 27 27 TYR H H 1 . -9.9 . . . . . . . 83 TYR N . 83 TYR HN 17451 2 7 DHN . 1 1 28 28 ILE N N 15 . . 1 1 28 28 ILE H H 1 . -11.1 . . . . . . . 84 ILE N . 84 ILE HN 17451 2 8 DHN . 1 1 36 36 LYS N N 15 . . 1 1 36 36 LYS H H 1 . -2.0 . . . . . . . 92 LYS N . 92 LYS HN 17451 2 9 DHN . 1 1 37 37 GLN N N 15 . . 1 1 37 37 GLN H H 1 . 9.0 . . . . . . . 93 GLN N . 93 GLN HN 17451 2 10 DHN . 1 1 42 42 ALA N N 15 . . 1 1 42 42 ALA H H 1 . -1.0 . . . . . . . 98 ALA N . 98 ALA HN 17451 2 11 DHN . 1 1 45 45 LYS N N 15 . . 1 1 45 45 LYS H H 1 . 3.8 . . . . . . . 101 LYS N . 101 LYS HN 17451 2 12 DHN . 1 1 46 46 LEU N N 15 . . 1 1 46 46 LEU H H 1 . 3.3 . . . . . . . 102 LEU N . 102 LEU HN 17451 2 13 DHN . 1 1 47 47 LEU N N 15 . . 1 1 47 47 LEU H H 1 . 8.3 . . . . . . . 103 LEU N . 103 LEU HN 17451 2 14 DHN . 1 1 52 52 SER N N 15 . . 1 1 52 52 SER H H 1 . -5.9 . . . . . . . 108 SER N . 108 SER HN 17451 2 15 DHN . 1 1 53 53 ASP N N 15 . . 1 1 53 53 ASP H H 1 . -4.2 . . . . . . . 109 ASP N . 109 ASP HN 17451 2 16 DHN . 1 1 55 55 ILE N N 15 . . 1 1 55 55 ILE H H 1 . -0.1 . . . . . . . 111 ILE N . 111 ILE HN 17451 2 17 DHN . 1 1 56 56 LYS N N 15 . . 1 1 56 56 LYS H H 1 . -5.4 . . . . . . . 112 LYS N . 112 LYS HN 17451 2 18 DHN . 1 1 57 57 LYS N N 15 . . 1 1 57 57 LYS H H 1 . 2.6 . . . . . . . 113 LYS N . 113 LYS HN 17451 2 19 DHN . 1 1 60 60 ASP N N 15 . . 1 1 60 60 ASP H H 1 . -6.3 . . . . . . . 116 ASP N . 116 ASP HN 17451 2 20 DHN . 1 1 68 68 LYS N N 15 . . 1 1 68 68 LYS H H 1 . 8.5 . . . . . . . 124 LYS N . 124 LYS HN 17451 2 21 DHN . 1 1 69 69 ILE N N 15 . . 1 1 69 69 ILE H H 1 . -1.9 . . . . . . . 125 ILE N . 125 ILE HN 17451 2 22 DHN . 1 1 71 71 VAL N N 15 . . 1 1 71 71 VAL H H 1 . -1.7 . . . . . . . 127 VAL N . 127 VAL HN 17451 2 23 DHN . 1 1 72 72 TYR N N 15 . . 1 1 72 72 TYR H H 1 . 5.5 . . . . . . . 128 TYR N . 128 TYR HN 17451 2 24 DHN . 1 1 73 73 ASN N N 15 . . 1 1 73 73 ASN H H 1 . -5.6 . . . . . . . 129 ASN N . 129 ASN HN 17451 2 25 DHN . 1 1 75 75 VAL N N 15 . . 1 1 75 75 VAL H H 1 . -0.5 . . . . . . . 131 VAL N . 131 VAL HN 17451 2 26 DHN . 1 1 76 76 ILE N N 15 . . 1 1 76 76 ILE H H 1 . 0.7 . . . . . . . 132 ILE N . 132 ILE HN 17451 2 27 DHN . 1 1 79 79 ILE N N 15 . . 1 1 79 79 ILE H H 1 . 2.7 . . . . . . . 135 ILE N . 135 ILE HN 17451 2 28 DHN . 1 1 80 80 GLU N N 15 . . 1 1 80 80 GLU H H 1 . -5.7 . . . . . . . 136 GLU N . 136 GLU HN 17451 2 29 DHN . 1 1 81 81 SER N N 15 . . 1 1 81 81 SER H H 1 . -11.6 . . . . . . . 137 SER N . 137 SER HN 17451 2 30 DHN . 1 1 82 82 ASN N N 15 . . 1 1 82 82 ASN H H 1 . -3.9 . . . . . . . 138 ASN N . 138 ASN HN 17451 2 31 DHN . 1 1 84 84 LYS N N 15 . . 1 1 84 84 LYS H H 1 . -8.2 . . . . . . . 140 LYS N . 140 LYS HN 17451 2 32 DHN . 1 1 88 88 GLN N N 15 . . 1 1 88 88 GLN H H 1 . -7.6 . . . . . . . 144 GLN N . 144 GLN HN 17451 2 33 DHN . 1 1 95 95 ARG N N 15 . . 1 1 95 95 ARG H H 1 . -7.7 . . . . . . . 151 ARG N . 151 ARG HN 17451 2 34 DHN . 1 1 99 99 ASP N N 15 . . 1 1 99 99 ASP H H 1 . -2.6 . . . . . . . 155 ASP N . 155 ASP HN 17451 2 35 DHN . 1 1 100 100 VAL N N 15 . . 1 1 100 100 VAL H H 1 . 1.3 . . . . . . . 156 VAL N . 156 VAL HN 17451 2 36 DHN . 1 1 101 101 LEU N N 15 . . 1 1 101 101 LEU H H 1 . 3.5 . . . . . . . 157 LEU N . 157 LEU HN 17451 2 37 DHN . 1 1 102 102 LYS N N 15 . . 1 1 102 102 LYS H H 1 . -0.8 . . . . . . . 158 LYS N . 158 LYS HN 17451 2 38 DHN . 1 1 104 104 THR N N 15 . . 1 1 104 104 THR H H 1 . 4.6 . . . . . . . 160 THR N . 160 THR HN 17451 2 39 DHN . 1 1 105 105 ILE N N 15 . . 1 1 105 105 ILE H H 1 . 0.6 . . . . . . . 161 ILE N . 161 ILE HN 17451 2 40 DHN . 1 1 107 107 ASN N N 15 . . 1 1 107 107 ASN H H 1 . -3.5 . . . . . . . 163 ASN N . 163 ASN HN 17451 2 41 DHN . 1 1 109 109 LEU N N 15 . . 1 1 109 109 LEU H H 1 . -2.8 . . . . . . . 165 LEU N . 165 LEU HN 17451 2 42 DHN . 1 1 110 110 ASP N N 15 . . 1 1 110 110 ASP H H 1 . -1.6 . . . . . . . 166 ASP N . 166 ASP HN 17451 2 43 DHN . 1 1 112 112 HIS N N 15 . . 1 1 112 112 HIS H H 1 . 2.6 . . . . . . . 168 HIS N . 168 HIS HN 17451 2 44 DHN . 1 1 113 113 LYS N N 15 . . 1 1 113 113 LYS H H 1 . -3.3 . . . . . . . 169 LYS N . 169 LYS HN 17451 2 stop_ save_