data_4918 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4918 _Entry.Title ; Letter to the Editor: Assignments of 1H and 15N resonances of the Pseudomonas aeruginosa K122-4 pilin monomer. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-12-12 _Entry.Accession_date 2000-12-13 _Entry.Last_release_date 2001-01-04 _Entry.Original_release_date 2001-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Keizer . W . 4918 2 Michal Kalsiak . . . 4918 3 Jeong-Yong Suh . . . 4918 4 Matthew Crump . P . 4918 5 Randall Irvin . T . 4918 6 Brian Sykes . D . 4918 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4918 coupling_constants 1 4918 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 124 4918 '1H chemical shifts' 632 4918 'coupling constants' 80 4918 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-01-04 2000-12-12 original author . 4918 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4918 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignments of 1H and 15N resonances of the Pseudomonas aeruginosa K122-4 pilin monomer ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 4 _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 385 _Citation.Page_last 386 _Citation.Year 2001 _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 David Keizer . W . 4918 1 2 Michal Kalsiak . . . 4918 1 3 Jeong-Yong Suh . . . 4918 1 4 Matthew Crump . P . 4918 1 5 Randall Irvin . T . 4918 1 6 Brian Sykes . D . 4918 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Pseudomonas 4918 1 aeruginosa 4918 1 pilin 4918 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_pilin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_pilin _Assembly.Entry_ID 4918 _Assembly.ID 1 _Assembly.Name 'Pseudomonas Type IV pilin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4918 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'pilin monomer' 1 $pilin . . . native . . . . . 4918 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . 4918 1 2 disulfide single . 1 . 1 CYS 108 108 SG . 1 . 1 CYS 121 121 SG . . . . . . . . . . 4918 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Pseudomonas Type IV pilin' system 4918 1 pilin abbreviation 4918 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Pilus structural protein' 4918 1 'Twitching motility' 4918 1 'Bacteria phage absorption' 4918 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_pilin _Entity.Sf_category entity _Entity.Sf_framecode pilin _Entity.Entry_ID 4918 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pseudomonas Type IV pilin' _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 ; ALEGTEFARAQLSEAMTLAS GLKTKVSDIFSQDGSCPANT AATAGIEKDTDINGKYVAKV TTGGTAAASGGCTIVATMKA SDVATPLRGKTLTLTLGNAD KGSYTWACTSNADNKYLPKT CQTATTTTP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13105 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P17838 . 'Fimbrial protein precursor (Pilin) (Strain P1)' . . . . . 94.57 157 99.18 99.18 3.12e-62 . . . . 4918 1 . . GenBank AAC63062 . 'type IV pilin precursor [Pseudomonas aeruginosa]' . . . . . 94.57 157 99.18 99.18 3.12e-62 . . . . 4918 1 . . PDB 1RG0 . 'Monoclinic Crystal Form Of The Truncated K122-4 Pilin From Pseudomonas Aeruginosa' . . . . . 96.90 126 99.20 100.00 3.17e-64 . . . . 4918 1 . . PDB 1QVE . 'Crystal Structure Of The Truncated K122-4 Pilin From Pseudomonas Aeruginosa' . . . . . 96.90 126 99.20 100.00 3.17e-64 . . . . 4918 1 . . PDB 1HPW . 'Structure Of A Pilin Monomer From Pseudomonas Aeruginosa: Implications For The Assembly Of Pili' . . . . . 100.00 129 100.00 100.00 6.44e-67 . . . . 4918 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pseudomonas Type IV pilin' common 4918 1 pilin abbreviation 4918 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 22 ALA . 4918 1 2 23 LEU . 4918 1 3 24 GLU . 4918 1 4 24 GLY . 4918 1 5 26 THR . 4918 1 6 27 GLU . 4918 1 7 28 PHE . 4918 1 8 29 ALA . 4918 1 9 30 ARG . 4918 1 10 31 ALA . 4918 1 11 32 GLN . 4918 1 12 33 LEU . 4918 1 13 34 SER . 4918 1 14 35 GLU . 4918 1 15 36 ALA . 4918 1 16 37 MET . 4918 1 17 38 THR . 4918 1 18 39 LEU . 4918 1 19 40 ALA . 4918 1 20 41 SER . 4918 1 21 42 GLY . 4918 1 22 43 LEU . 4918 1 23 44 LYS . 4918 1 24 45 THR . 4918 1 25 46 LYS . 4918 1 26 47 VAL . 4918 1 27 48 SER . 4918 1 28 49 ASP . 4918 1 29 50 ILE . 4918 1 30 51 PHE . 4918 1 31 52 SER . 4918 1 32 53 GLN . 4918 1 33 54 ASP . 4918 1 34 55 GLY . 4918 1 35 56 SER . 4918 1 36 57 CYS . 4918 1 37 58 PRO . 4918 1 38 59 ALA . 4918 1 39 60 ASN . 4918 1 40 61 THR . 4918 1 41 62 ALA . 4918 1 42 63 ALA . 4918 1 43 64 THR . 4918 1 44 65 ALA . 4918 1 45 66 GLY . 4918 1 46 67 ILE . 4918 1 47 68 GLU . 4918 1 48 69 LYS . 4918 1 49 70 ASP . 4918 1 50 71 THR . 4918 1 51 72 ASP . 4918 1 52 73 ILE . 4918 1 53 74 ASN . 4918 1 54 75 GLY . 4918 1 55 76 LYS . 4918 1 56 77 TYR . 4918 1 57 78 VAL . 4918 1 58 79 ALA . 4918 1 59 80 LYS . 4918 1 60 81 VAL . 4918 1 61 82 THR . 4918 1 62 83 THR . 4918 1 63 84 GLY . 4918 1 64 85 GLY . 4918 1 65 86 THR . 4918 1 66 87 ALA . 4918 1 67 88 ALA . 4918 1 68 89 ALA . 4918 1 69 90 SER . 4918 1 70 91 GLY . 4918 1 71 92 GLY . 4918 1 72 93 CYS . 4918 1 73 94 THR . 4918 1 74 95 ILE . 4918 1 75 96 VAL . 4918 1 76 97 ALA . 4918 1 77 98 THR . 4918 1 78 99 MET . 4918 1 79 100 LYS . 4918 1 80 101 ALA . 4918 1 81 102 SER . 4918 1 82 103 ASP . 4918 1 83 104 VAL . 4918 1 84 105 ALA . 4918 1 85 106 THR . 4918 1 86 107 PRO . 4918 1 87 108 LEU . 4918 1 88 109 ARG . 4918 1 89 110 GLY . 4918 1 90 111 LYS . 4918 1 91 112 THR . 4918 1 92 113 LEU . 4918 1 93 114 THR . 4918 1 94 115 LEU . 4918 1 95 116 THR . 4918 1 96 117 LEU . 4918 1 97 118 GLY . 4918 1 98 119 ASN . 4918 1 99 120 ALA . 4918 1 100 121 ASP . 4918 1 101 122 LYS . 4918 1 102 123 GLY . 4918 1 103 124 SER . 4918 1 104 125 TYR . 4918 1 105 126 THR . 4918 1 106 127 TRP . 4918 1 107 128 ALA . 4918 1 108 129 CYS . 4918 1 109 130 THR . 4918 1 110 131 SER . 4918 1 111 132 ASN . 4918 1 112 133 ALA . 4918 1 113 134 ASP . 4918 1 114 135 ASN . 4918 1 115 136 LYS . 4918 1 116 137 TYR . 4918 1 117 138 LEU . 4918 1 118 139 PRO . 4918 1 119 140 LYS . 4918 1 120 141 THR . 4918 1 121 142 CYS . 4918 1 122 143 GLN . 4918 1 123 144 THR . 4918 1 124 145 ALA . 4918 1 125 146 THR . 4918 1 126 147 THR . 4918 1 127 148 THR . 4918 1 128 149 THR . 4918 1 129 150 PRO . 4918 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 . ALA 1 1 4918 1 . LEU 2 2 4918 1 . GLU 3 3 4918 1 . GLY 4 4 4918 1 . THR 5 5 4918 1 . GLU 6 6 4918 1 . PHE 7 7 4918 1 . ALA 8 8 4918 1 . ARG 9 9 4918 1 . ALA 10 10 4918 1 . GLN 11 11 4918 1 . LEU 12 12 4918 1 . SER 13 13 4918 1 . GLU 14 14 4918 1 . ALA 15 15 4918 1 . MET 16 16 4918 1 . THR 17 17 4918 1 . LEU 18 18 4918 1 . ALA 19 19 4918 1 . SER 20 20 4918 1 . GLY 21 21 4918 1 . LEU 22 22 4918 1 . LYS 23 23 4918 1 . THR 24 24 4918 1 . LYS 25 25 4918 1 . VAL 26 26 4918 1 . SER 27 27 4918 1 . ASP 28 28 4918 1 . ILE 29 29 4918 1 . PHE 30 30 4918 1 . SER 31 31 4918 1 . GLN 32 32 4918 1 . ASP 33 33 4918 1 . GLY 34 34 4918 1 . SER 35 35 4918 1 . CYS 36 36 4918 1 . PRO 37 37 4918 1 . ALA 38 38 4918 1 . ASN 39 39 4918 1 . THR 40 40 4918 1 . ALA 41 41 4918 1 . ALA 42 42 4918 1 . THR 43 43 4918 1 . ALA 44 44 4918 1 . GLY 45 45 4918 1 . ILE 46 46 4918 1 . GLU 47 47 4918 1 . LYS 48 48 4918 1 . ASP 49 49 4918 1 . THR 50 50 4918 1 . ASP 51 51 4918 1 . ILE 52 52 4918 1 . ASN 53 53 4918 1 . GLY 54 54 4918 1 . LYS 55 55 4918 1 . TYR 56 56 4918 1 . VAL 57 57 4918 1 . ALA 58 58 4918 1 . LYS 59 59 4918 1 . VAL 60 60 4918 1 . THR 61 61 4918 1 . THR 62 62 4918 1 . GLY 63 63 4918 1 . GLY 64 64 4918 1 . THR 65 65 4918 1 . ALA 66 66 4918 1 . ALA 67 67 4918 1 . ALA 68 68 4918 1 . SER 69 69 4918 1 . GLY 70 70 4918 1 . GLY 71 71 4918 1 . CYS 72 72 4918 1 . THR 73 73 4918 1 . ILE 74 74 4918 1 . VAL 75 75 4918 1 . ALA 76 76 4918 1 . THR 77 77 4918 1 . MET 78 78 4918 1 . LYS 79 79 4918 1 . ALA 80 80 4918 1 . SER 81 81 4918 1 . ASP 82 82 4918 1 . VAL 83 83 4918 1 . ALA 84 84 4918 1 . THR 85 85 4918 1 . PRO 86 86 4918 1 . LEU 87 87 4918 1 . ARG 88 88 4918 1 . GLY 89 89 4918 1 . LYS 90 90 4918 1 . THR 91 91 4918 1 . LEU 92 92 4918 1 . THR 93 93 4918 1 . LEU 94 94 4918 1 . THR 95 95 4918 1 . LEU 96 96 4918 1 . GLY 97 97 4918 1 . ASN 98 98 4918 1 . ALA 99 99 4918 1 . ASP 100 100 4918 1 . LYS 101 101 4918 1 . GLY 102 102 4918 1 . SER 103 103 4918 1 . TYR 104 104 4918 1 . THR 105 105 4918 1 . TRP 106 106 4918 1 . ALA 107 107 4918 1 . CYS 108 108 4918 1 . THR 109 109 4918 1 . SER 110 110 4918 1 . ASN 111 111 4918 1 . ALA 112 112 4918 1 . ASP 113 113 4918 1 . ASN 114 114 4918 1 . LYS 115 115 4918 1 . TYR 116 116 4918 1 . LEU 117 117 4918 1 . PRO 118 118 4918 1 . LYS 119 119 4918 1 . THR 120 120 4918 1 . CYS 121 121 4918 1 . GLN 122 122 4918 1 . THR 123 123 4918 1 . ALA 124 124 4918 1 . THR 125 125 4918 1 . THR 126 126 4918 1 . THR 127 127 4918 1 . THR 128 128 4918 1 . PRO 129 129 4918 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 4918 _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 $pilin . 287 . . 'Pseudomonas aeruginosa' . . . Eubacteria . Pseudomonas aeruginosa K122-4 . . . . . . . . . . . . . . . . . . . . 4918 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 4918 _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 $pilin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4918 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pseudomonas Type IV pilin' . . . 1 $pilin . . 2.2 . . mM . . . . 4918 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-con_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-con_1 _Sample_condition_list.Entry_ID 4918 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.1 n/a 4918 1 temperature 303 0.5 K 4918 1 stop_ save_ save_Ex-cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_2 _Sample_condition_list.Entry_ID 4918 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.05 0.1 n/a 4918 2 temperature 303 0.5 K 4918 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 4918 _Software.ID 1 _Software.Name NMRPIPE _Software.Version 1.8 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing of Spectra' 4918 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4918 _Software.ID 2 _Software.Name NMRView _Software.Version 4.1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Analysis of spectra' 4918 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4918 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4918 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4918 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 800 . . . 4918 1 2 NMR_spectrometer_2 Varian UNITY . 600 . . . 4918 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 4918 _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-1H DQFCOSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 4 '2D 1H-13C CT HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 6 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 7 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 8 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4918 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H DQFCOSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-13C CT HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4918 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4918 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4918 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4918 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4918 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-con_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Several unassigned signals were observed that may correspond to a minor conformational species. ; _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-1H DQFCOSY' 1 $sample_1 . 4918 1 2 '2D 1H-1H TOCSY' 1 $sample_1 . 4918 1 3 '2D 1H-1H NOESY' 1 $sample_1 . 4918 1 4 '2D 1H-13C CT HSQC' 1 $sample_1 . 4918 1 5 '2D 1H-15N HSQC' 1 $sample_1 . 4918 1 6 '3D 1H-1H-15N NOESY' 1 $sample_1 . 4918 1 7 '3D 1H-1H-15N TOCSY' 1 $sample_1 . 4918 1 8 '3D HNHA' 1 $sample_1 . 4918 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 N N 15 121.4 0.05 . 1 . . . . . . . . 4918 1 2 . 1 1 3 3 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 4918 1 3 . 1 1 3 3 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 4918 1 4 . 1 1 3 3 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4918 1 5 . 1 1 3 3 GLU HB3 H 1 2.08 0.02 . 2 . . . . . . . . 4918 1 6 . 1 1 3 3 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 4918 1 7 . 1 1 4 4 GLY N N 15 109.4 0.05 . 1 . . . . . . . . 4918 1 8 . 1 1 4 4 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 4918 1 9 . 1 1 4 4 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 4918 1 10 . 1 1 4 4 GLY HA3 H 1 4.22 0.02 . 2 . . . . . . . . 4918 1 11 . 1 1 8 8 ALA N N 15 121.6 0.05 . 1 . . . . . . . . 4918 1 12 . 1 1 8 8 ALA H H 1 7.86 0.02 . 1 . . . . . . . . 4918 1 13 . 1 1 8 8 ALA HA H 1 3.61 0.02 . 1 . . . . . . . . 4918 1 14 . 1 1 8 8 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . 4918 1 15 . 1 1 8 8 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . 4918 1 16 . 1 1 8 8 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . 4918 1 17 . 1 1 9 9 ARG N N 15 117.1 0.05 . 1 . . . . . . . . 4918 1 18 . 1 1 9 9 ARG H H 1 8.55 0.02 . 1 . . . . . . . . 4918 1 19 . 1 1 10 10 ALA N N 15 122.3 0.05 . 1 . . . . . . . . 4918 1 20 . 1 1 10 10 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 4918 1 21 . 1 1 10 10 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 4918 1 22 . 1 1 10 10 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4918 1 23 . 1 1 10 10 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4918 1 24 . 1 1 10 10 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4918 1 25 . 1 1 11 11 GLN N N 15 119.9 0.05 . 1 . . . . . . . . 4918 1 26 . 1 1 11 11 GLN H H 1 7.53 0.02 . 1 . . . . . . . . 4918 1 27 . 1 1 11 11 GLN HA H 1 3.63 0.02 . 1 . . . . . . . . 4918 1 28 . 1 1 11 11 GLN HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4918 1 29 . 1 1 11 11 GLN HG2 H 1 0.06 0.02 . 2 . . . . . . . . 4918 1 30 . 1 1 11 11 GLN HG3 H 1 1.12 0.02 . 2 . . . . . . . . 4918 1 31 . 1 1 11 11 GLN NE2 N 15 105.5 0.05 . 1 . . . . . . . . 4918 1 32 . 1 1 11 11 GLN HE21 H 1 5.21 0.02 . 2 . . . . . . . . 4918 1 33 . 1 1 11 11 GLN HE22 H 1 6.17 0.02 . 2 . . . . . . . . 4918 1 34 . 1 1 12 12 LEU N N 15 118 0.05 . 1 . . . . . . . . 4918 1 35 . 1 1 12 12 LEU H H 1 7.62 0.02 . 1 . . . . . . . . 4918 1 36 . 1 1 12 12 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4918 1 37 . 1 1 12 12 LEU HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4918 1 38 . 1 1 12 12 LEU HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4918 1 39 . 1 1 13 13 SER N N 15 115.1 0.05 . 1 . . . . . . . . 4918 1 40 . 1 1 13 13 SER H H 1 8.21 0.02 . 1 . . . . . . . . 4918 1 41 . 1 1 13 13 SER HA H 1 4.11 0.02 . 1 . . . . . . . . 4918 1 42 . 1 1 14 14 GLU N N 15 123.5 0.05 . 1 . . . . . . . . 4918 1 43 . 1 1 14 14 GLU H H 1 7.54 0.02 . 1 . . . . . . . . 4918 1 44 . 1 1 14 14 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 4918 1 45 . 1 1 14 14 GLU HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4918 1 46 . 1 1 14 14 GLU HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4918 1 47 . 1 1 15 15 ALA N N 15 120.1 0.05 . 1 . . . . . . . . 4918 1 48 . 1 1 15 15 ALA H H 1 7.04 0.02 . 1 . . . . . . . . 4918 1 49 . 1 1 15 15 ALA HA H 1 3.85 0.02 . 1 . . . . . . . . 4918 1 50 . 1 1 15 15 ALA HB1 H 1 1.62 0.02 . 1 . . . . . . . . 4918 1 51 . 1 1 15 15 ALA HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4918 1 52 . 1 1 15 15 ALA HB3 H 1 1.62 0.02 . 1 . . . . . . . . 4918 1 53 . 1 1 16 16 MET N N 15 116.6 0.05 . 1 . . . . . . . . 4918 1 54 . 1 1 16 16 MET H H 1 7.69 0.02 . 1 . . . . . . . . 4918 1 55 . 1 1 16 16 MET HA H 1 4.14 0.02 . 1 . . . . . . . . 4918 1 56 . 1 1 16 16 MET HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4918 1 57 . 1 1 16 16 MET HG3 H 1 2.57 0.02 . 2 . . . . . . . . 4918 1 58 . 1 1 17 17 THR N N 15 120.3 0.05 . 1 . . . . . . . . 4918 1 59 . 1 1 17 17 THR H H 1 8.71 0.02 . 1 . . . . . . . . 4918 1 60 . 1 1 17 17 THR HA H 1 4.3 0.02 . 1 . . . . . . . . 4918 1 61 . 1 1 17 17 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 4918 1 62 . 1 1 17 17 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 4918 1 63 . 1 1 17 17 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 4918 1 64 . 1 1 17 17 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 4918 1 65 . 1 1 18 18 LEU N N 15 122.2 0.05 . 1 . . . . . . . . 4918 1 66 . 1 1 18 18 LEU H H 1 8.52 0.02 . 1 . . . . . . . . 4918 1 67 . 1 1 18 18 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 4918 1 68 . 1 1 18 18 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4918 1 69 . 1 1 18 18 LEU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4918 1 70 . 1 1 18 18 LEU HG H 1 1.22 0.02 . 1 . . . . . . . . 4918 1 71 . 1 1 18 18 LEU HD11 H 1 0.76 0.02 . 2 . . . . . . . . 4918 1 72 . 1 1 18 18 LEU HD12 H 1 0.76 0.02 . 2 . . . . . . . . 4918 1 73 . 1 1 18 18 LEU HD13 H 1 0.76 0.02 . 2 . . . . . . . . 4918 1 74 . 1 1 18 18 LEU HD21 H 1 0.55 0.02 . 2 . . . . . . . . 4918 1 75 . 1 1 18 18 LEU HD22 H 1 0.55 0.02 . 2 . . . . . . . . 4918 1 76 . 1 1 18 18 LEU HD23 H 1 0.55 0.02 . 2 . . . . . . . . 4918 1 77 . 1 1 19 19 ALA N N 15 119.4 0.05 . 1 . . . . . . . . 4918 1 78 . 1 1 19 19 ALA H H 1 8.41 0.02 . 1 . . . . . . . . 4918 1 79 . 1 1 19 19 ALA HA H 1 3.95 0.02 . 1 . . . . . . . . 4918 1 80 . 1 1 19 19 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 4918 1 81 . 1 1 19 19 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 4918 1 82 . 1 1 19 19 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 4918 1 83 . 1 1 20 20 SER N N 15 111.5 0.05 . 1 . . . . . . . . 4918 1 84 . 1 1 20 20 SER H H 1 8.3 0.02 . 1 . . . . . . . . 4918 1 85 . 1 1 20 20 SER HA H 1 3.68 0.02 . 1 . . . . . . . . 4918 1 86 . 1 1 20 20 SER HB2 H 1 3.79 0.02 . 2 . . . . . . . . 4918 1 87 . 1 1 20 20 SER HB3 H 1 4.06 0.02 . 2 . . . . . . . . 4918 1 88 . 1 1 21 21 GLY N N 15 107.6 0.05 . 1 . . . . . . . . 4918 1 89 . 1 1 21 21 GLY H H 1 7.62 0.02 . 1 . . . . . . . . 4918 1 90 . 1 1 21 21 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 4918 1 91 . 1 1 21 21 GLY HA3 H 1 4.04 0.02 . 2 . . . . . . . . 4918 1 92 . 1 1 22 22 LEU N N 15 119.3 0.05 . 1 . . . . . . . . 4918 1 93 . 1 1 22 22 LEU H H 1 7.29 0.02 . 1 . . . . . . . . 4918 1 94 . 1 1 22 22 LEU HA H 1 4.5 0.02 . 1 . . . . . . . . 4918 1 95 . 1 1 22 22 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 4918 1 96 . 1 1 22 22 LEU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4918 1 97 . 1 1 22 22 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4918 1 98 . 1 1 22 22 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 99 . 1 1 22 22 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 100 . 1 1 22 22 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 101 . 1 1 22 22 LEU HD21 H 1 0.9 0.02 . 2 . . . . . . . . 4918 1 102 . 1 1 22 22 LEU HD22 H 1 0.9 0.02 . 2 . . . . . . . . 4918 1 103 . 1 1 22 22 LEU HD23 H 1 0.9 0.02 . 2 . . . . . . . . 4918 1 104 . 1 1 23 23 LYS N N 15 118.9 0.05 . 1 . . . . . . . . 4918 1 105 . 1 1 23 23 LYS H H 1 7.03 0.02 . 1 . . . . . . . . 4918 1 106 . 1 1 23 23 LYS HA H 1 3.15 0.02 . 1 . . . . . . . . 4918 1 107 . 1 1 23 23 LYS HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4918 1 108 . 1 1 24 24 THR N N 15 113.5 0.05 . 1 . . . . . . . . 4918 1 109 . 1 1 24 24 THR H H 1 8.23 0.02 . 1 . . . . . . . . 4918 1 110 . 1 1 24 24 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 4918 1 111 . 1 1 24 24 THR HB H 1 4.67 0.02 . 1 . . . . . . . . 4918 1 112 . 1 1 24 24 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 4918 1 113 . 1 1 24 24 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 4918 1 114 . 1 1 24 24 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 4918 1 115 . 1 1 25 25 LYS N N 15 121.2 0.05 . 1 . . . . . . . . 4918 1 116 . 1 1 25 25 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 4918 1 117 . 1 1 25 25 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 4918 1 118 . 1 1 25 25 LYS HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4918 1 119 . 1 1 25 25 LYS HG3 H 1 1.61 0.02 . 2 . . . . . . . . 4918 1 120 . 1 1 26 26 VAL N N 15 117 0.05 . 1 . . . . . . . . 4918 1 121 . 1 1 26 26 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 4918 1 122 . 1 1 26 26 VAL HA H 1 3.68 0.02 . 1 . . . . . . . . 4918 1 123 . 1 1 26 26 VAL HB H 1 2.34 0.02 . 1 . . . . . . . . 4918 1 124 . 1 1 26 26 VAL HG11 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 125 . 1 1 26 26 VAL HG12 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 126 . 1 1 26 26 VAL HG13 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 127 . 1 1 27 27 SER N N 15 115.3 0.05 . 1 . . . . . . . . 4918 1 128 . 1 1 27 27 SER H H 1 8.94 0.02 . 1 . . . . . . . . 4918 1 129 . 1 1 27 27 SER HA H 1 4.08 0.02 . 1 . . . . . . . . 4918 1 130 . 1 1 28 28 ASP N N 15 124.3 0.05 . 1 . . . . . . . . 4918 1 131 . 1 1 28 28 ASP H H 1 8.76 0.02 . 1 . . . . . . . . 4918 1 132 . 1 1 28 28 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 4918 1 133 . 1 1 28 28 ASP HB2 H 1 2.7 0.02 . 2 . . . . . . . . 4918 1 134 . 1 1 28 28 ASP HB3 H 1 3.03 0.02 . 2 . . . . . . . . 4918 1 135 . 1 1 29 29 ILE N N 15 121.5 0.05 . 1 . . . . . . . . 4918 1 136 . 1 1 29 29 ILE H H 1 7.54 0.02 . 1 . . . . . . . . 4918 1 137 . 1 1 29 29 ILE HA H 1 3.85 0.02 . 1 . . . . . . . . 4918 1 138 . 1 1 29 29 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 4918 1 139 . 1 1 29 29 ILE HG12 H 1 1.43 0.02 . 2 . . . . . . . . 4918 1 140 . 1 1 29 29 ILE HD11 H 1 1.022 0.02 . 1 . . . . . . . . 4918 1 141 . 1 1 29 29 ILE HD12 H 1 1.022 0.02 . 1 . . . . . . . . 4918 1 142 . 1 1 29 29 ILE HD13 H 1 1.022 0.02 . 1 . . . . . . . . 4918 1 143 . 1 1 30 30 PHE N N 15 122.9 0.05 . 1 . . . . . . . . 4918 1 144 . 1 1 30 30 PHE H H 1 8.75 0.02 . 1 . . . . . . . . 4918 1 145 . 1 1 30 30 PHE HA H 1 4.49 0.02 . 1 . . . . . . . . 4918 1 146 . 1 1 30 30 PHE HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4918 1 147 . 1 1 30 30 PHE HB3 H 1 3.27 0.02 . 2 . . . . . . . . 4918 1 148 . 1 1 30 30 PHE HD1 H 1 6.94 0.02 . 3 . . . . . . . . 4918 1 149 . 1 1 30 30 PHE HE1 H 1 7.14 0.02 . 3 . . . . . . . . 4918 1 150 . 1 1 30 30 PHE HZ H 1 7.35 0.02 . 1 . . . . . . . . 4918 1 151 . 1 1 31 31 SER N N 15 115.1 0.05 . 1 . . . . . . . . 4918 1 152 . 1 1 31 31 SER H H 1 8.94 0.02 . 1 . . . . . . . . 4918 1 153 . 1 1 31 31 SER HA H 1 4.07 0.02 . 1 . . . . . . . . 4918 1 154 . 1 1 31 31 SER HB2 H 1 4.27 0.02 . 2 . . . . . . . . 4918 1 155 . 1 1 32 32 GLN N N 15 119.6 0.05 . 1 . . . . . . . . 4918 1 156 . 1 1 32 32 GLN H H 1 7.88 0.02 . 1 . . . . . . . . 4918 1 157 . 1 1 32 32 GLN HA H 1 4.25 0.02 . 1 . . . . . . . . 4918 1 158 . 1 1 32 32 GLN HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4918 1 159 . 1 1 32 32 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4918 1 160 . 1 1 32 32 GLN HG3 H 1 2.53 0.02 . 2 . . . . . . . . 4918 1 161 . 1 1 32 32 GLN NE2 N 15 111.8 0.05 . 1 . . . . . . . . 4918 1 162 . 1 1 32 32 GLN HE21 H 1 7.45 0.02 . 2 . . . . . . . . 4918 1 163 . 1 1 32 32 GLN HE22 H 1 6.73 0.02 . 2 . . . . . . . . 4918 1 164 . 1 1 33 33 ASP N N 15 115.7 0.05 . 1 . . . . . . . . 4918 1 165 . 1 1 33 33 ASP H H 1 8.59 0.02 . 1 . . . . . . . . 4918 1 166 . 1 1 33 33 ASP HA H 1 4.82 0.02 . 1 . . . . . . . . 4918 1 167 . 1 1 33 33 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4918 1 168 . 1 1 33 33 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4918 1 169 . 1 1 34 34 GLY N N 15 109.8 0.05 . 1 . . . . . . . . 4918 1 170 . 1 1 34 34 GLY H H 1 8.15 0.02 . 1 . . . . . . . . 4918 1 171 . 1 1 34 34 GLY HA2 H 1 3.1 0.02 . 2 . . . . . . . . 4918 1 172 . 1 1 34 34 GLY HA3 H 1 3.67 0.02 . 2 . . . . . . . . 4918 1 173 . 1 1 35 35 SER N N 15 112.4 0.05 . 1 . . . . . . . . 4918 1 174 . 1 1 35 35 SER H H 1 7.26 0.02 . 1 . . . . . . . . 4918 1 175 . 1 1 35 35 SER HA H 1 4.64 0.02 . 1 . . . . . . . . 4918 1 176 . 1 1 35 35 SER HB2 H 1 3.59 0.02 . 2 . . . . . . . . 4918 1 177 . 1 1 35 35 SER HB3 H 1 3.7 0.02 . 2 . . . . . . . . 4918 1 178 . 1 1 36 36 CYS N N 15 116.4 0.05 . 1 . . . . . . . . 4918 1 179 . 1 1 36 36 CYS H H 1 8.17 0.02 . 1 . . . . . . . . 4918 1 180 . 1 1 36 36 CYS HA H 1 5.45 0.02 . 1 . . . . . . . . 4918 1 181 . 1 1 36 36 CYS HB2 H 1 2.41 0.02 . 2 . . . . . . . . 4918 1 182 . 1 1 36 36 CYS HB3 H 1 3.34 0.02 . 2 . . . . . . . . 4918 1 183 . 1 1 37 37 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 4918 1 184 . 1 1 37 37 PRO HB2 H 1 2.1 0.02 . 2 . . . . . . . . 4918 1 185 . 1 1 37 37 PRO HB3 H 1 2.31 0.02 . 2 . . . . . . . . 4918 1 186 . 1 1 37 37 PRO HG2 H 1 1.83 0.02 . 2 . . . . . . . . 4918 1 187 . 1 1 37 37 PRO HG3 H 1 1.89 0.02 . 2 . . . . . . . . 4918 1 188 . 1 1 37 37 PRO HD2 H 1 3.46 0.02 . 2 . . . . . . . . 4918 1 189 . 1 1 37 37 PRO HD3 H 1 3.59 0.02 . 2 . . . . . . . . 4918 1 190 . 1 1 38 38 ALA N N 15 128.1 0.05 . 1 . . . . . . . . 4918 1 191 . 1 1 38 38 ALA H H 1 8.76 0.02 . 1 . . . . . . . . 4918 1 192 . 1 1 38 38 ALA HA H 1 5.14 0.02 . 1 . . . . . . . . 4918 1 193 . 1 1 38 38 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 4918 1 194 . 1 1 38 38 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 4918 1 195 . 1 1 38 38 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 4918 1 196 . 1 1 39 39 ASN N N 15 123.4 0.05 . 1 . . . . . . . . 4918 1 197 . 1 1 39 39 ASN H H 1 8.1 0.02 . 1 . . . . . . . . 4918 1 198 . 1 1 39 39 ASN HA H 1 5.29 0.02 . 1 . . . . . . . . 4918 1 199 . 1 1 39 39 ASN HB2 H 1 2.3 0.02 . 2 . . . . . . . . 4918 1 200 . 1 1 39 39 ASN HB3 H 1 3.33 0.02 . 2 . . . . . . . . 4918 1 201 . 1 1 39 39 ASN ND2 N 15 109.8 0.05 . 1 . . . . . . . . 4918 1 202 . 1 1 39 39 ASN HD21 H 1 7.64 0.02 . 2 . . . . . . . . 4918 1 203 . 1 1 39 39 ASN HD22 H 1 7.52 0.02 . 2 . . . . . . . . 4918 1 204 . 1 1 40 40 THR N N 15 110.7 0.05 . 1 . . . . . . . . 4918 1 205 . 1 1 40 40 THR H H 1 7.34 0.02 . 1 . . . . . . . . 4918 1 206 . 1 1 40 40 THR HA H 1 4.08 0.02 . 1 . . . . . . . . 4918 1 207 . 1 1 40 40 THR HB H 1 4.3 0.02 . 1 . . . . . . . . 4918 1 208 . 1 1 40 40 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 4918 1 209 . 1 1 40 40 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 4918 1 210 . 1 1 40 40 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 4918 1 211 . 1 1 41 41 ALA N N 15 121.5 0.05 . 1 . . . . . . . . 4918 1 212 . 1 1 41 41 ALA H H 1 7.81 0.02 . 1 . . . . . . . . 4918 1 213 . 1 1 41 41 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 4918 1 214 . 1 1 41 41 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4918 1 215 . 1 1 41 41 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4918 1 216 . 1 1 41 41 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4918 1 217 . 1 1 42 42 ALA N N 15 122.8 0.05 . 1 . . . . . . . . 4918 1 218 . 1 1 42 42 ALA H H 1 8.61 0.02 . 1 . . . . . . . . 4918 1 219 . 1 1 42 42 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4918 1 220 . 1 1 42 42 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4918 1 221 . 1 1 42 42 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4918 1 222 . 1 1 42 42 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4918 1 223 . 1 1 43 43 THR N N 15 117.3 0.05 . 1 . . . . . . . . 4918 1 224 . 1 1 43 43 THR H H 1 8.26 0.02 . 1 . . . . . . . . 4918 1 225 . 1 1 43 43 THR HA H 1 4.53 0.02 . 1 . . . . . . . . 4918 1 226 . 1 1 43 43 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 4918 1 227 . 1 1 43 43 THR HG21 H 1 1.43 0.02 . 1 . . . . . . . . 4918 1 228 . 1 1 43 43 THR HG22 H 1 1.43 0.02 . 1 . . . . . . . . 4918 1 229 . 1 1 43 43 THR HG23 H 1 1.43 0.02 . 1 . . . . . . . . 4918 1 230 . 1 1 44 44 ALA N N 15 126.7 0.05 . 1 . . . . . . . . 4918 1 231 . 1 1 44 44 ALA H H 1 8.64 0.02 . 1 . . . . . . . . 4918 1 232 . 1 1 44 44 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 4918 1 233 . 1 1 44 44 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 234 . 1 1 44 44 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 235 . 1 1 44 44 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 236 . 1 1 45 45 GLY N N 15 105.5 0.05 . 1 . . . . . . . . 4918 1 237 . 1 1 45 45 GLY H H 1 8.3 0.02 . 1 . . . . . . . . 4918 1 238 . 1 1 45 45 GLY HA2 H 1 3.71 0.02 . 2 . . . . . . . . 4918 1 239 . 1 1 45 45 GLY HA3 H 1 4.1 0.02 . 2 . . . . . . . . 4918 1 240 . 1 1 46 46 ILE N N 15 123 0.05 . 1 . . . . . . . . 4918 1 241 . 1 1 46 46 ILE H H 1 8.25 0.02 . 1 . . . . . . . . 4918 1 242 . 1 1 46 46 ILE HA H 1 4.12 0.02 . 1 . . . . . . . . 4918 1 243 . 1 1 46 46 ILE HB H 1 1.88 0.02 . 2 . . . . . . . . 4918 1 244 . 1 1 46 46 ILE HG12 H 1 1.17 0.02 . 2 . . . . . . . . 4918 1 245 . 1 1 46 46 ILE HG13 H 1 1.64 0.02 . 2 . . . . . . . . 4918 1 246 . 1 1 46 46 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 4918 1 247 . 1 1 46 46 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 4918 1 248 . 1 1 46 46 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 4918 1 249 . 1 1 46 46 ILE HD11 H 1 0.9 0.02 . 1 . . . . . . . . 4918 1 250 . 1 1 46 46 ILE HD12 H 1 0.9 0.02 . 1 . . . . . . . . 4918 1 251 . 1 1 46 46 ILE HD13 H 1 0.9 0.02 . 1 . . . . . . . . 4918 1 252 . 1 1 47 47 GLU N N 15 127.1 0.05 . 1 . . . . . . . . 4918 1 253 . 1 1 47 47 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 4918 1 254 . 1 1 47 47 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 4918 1 255 . 1 1 47 47 GLU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4918 1 256 . 1 1 47 47 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4918 1 257 . 1 1 47 47 GLU HG3 H 1 2.43 0.02 . 2 . . . . . . . . 4918 1 258 . 1 1 48 48 LYS N N 15 121.3 0.05 . 1 . . . . . . . . 4918 1 259 . 1 1 48 48 LYS H H 1 8.87 0.02 . 1 . . . . . . . . 4918 1 260 . 1 1 48 48 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 4918 1 261 . 1 1 48 48 LYS HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4918 1 262 . 1 1 48 48 LYS HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4918 1 263 . 1 1 49 49 ASP N N 15 120.8 0.05 . 1 . . . . . . . . 4918 1 264 . 1 1 49 49 ASP H H 1 7.86 0.02 . 1 . . . . . . . . 4918 1 265 . 1 1 49 49 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 4918 1 266 . 1 1 49 49 ASP HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4918 1 267 . 1 1 49 49 ASP HB3 H 1 3.13 0.02 . 2 . . . . . . . . 4918 1 268 . 1 1 50 50 THR N N 15 118.1 0.05 . 1 . . . . . . . . 4918 1 269 . 1 1 50 50 THR H H 1 8.58 0.02 . 1 . . . . . . . . 4918 1 270 . 1 1 50 50 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 4918 1 271 . 1 1 50 50 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 4918 1 272 . 1 1 50 50 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 273 . 1 1 50 50 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 274 . 1 1 50 50 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 275 . 1 1 51 51 ASP N N 15 121.6 0.05 . 1 . . . . . . . . 4918 1 276 . 1 1 51 51 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 4918 1 277 . 1 1 51 51 ASP HA H 1 4.77 0.02 . 1 . . . . . . . . 4918 1 278 . 1 1 51 51 ASP HB2 H 1 2.9 0.02 . 2 . . . . . . . . 4918 1 279 . 1 1 51 51 ASP HB3 H 1 3.01 0.02 . 2 . . . . . . . . 4918 1 280 . 1 1 52 52 ILE N N 15 125.8 0.05 . 1 . . . . . . . . 4918 1 281 . 1 1 52 52 ILE H H 1 7.71 0.02 . 1 . . . . . . . . 4918 1 282 . 1 1 52 52 ILE HA H 1 4.08 0.02 . 1 . . . . . . . . 4918 1 283 . 1 1 52 52 ILE HB H 1 2.14 0.02 . 1 . . . . . . . . 4918 1 284 . 1 1 53 53 ASN N N 15 114.9 0.05 . 1 . . . . . . . . 4918 1 285 . 1 1 53 53 ASN H H 1 7.16 0.02 . 1 . . . . . . . . 4918 1 286 . 1 1 53 53 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . 4918 1 287 . 1 1 53 53 ASN HB2 H 1 2.57 0.02 . 2 . . . . . . . . 4918 1 288 . 1 1 53 53 ASN HB3 H 1 2.96 0.02 . 2 . . . . . . . . 4918 1 289 . 1 1 53 53 ASN ND2 N 15 116.1 0.05 . 1 . . . . . . . . 4918 1 290 . 1 1 53 53 ASN HD21 H 1 7.34 0.02 . 2 . . . . . . . . 4918 1 291 . 1 1 53 53 ASN HD22 H 1 6.89 0.02 . 2 . . . . . . . . 4918 1 292 . 1 1 54 54 GLY N N 15 105.7 0.05 . 1 . . . . . . . . 4918 1 293 . 1 1 54 54 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 4918 1 294 . 1 1 54 54 GLY HA2 H 1 3.63 0.02 . 2 . . . . . . . . 4918 1 295 . 1 1 54 54 GLY HA3 H 1 4.43 0.02 . 2 . . . . . . . . 4918 1 296 . 1 1 55 55 LYS N N 15 126.9 0.05 . 1 . . . . . . . . 4918 1 297 . 1 1 55 55 LYS H H 1 10.3 0.02 . 1 . . . . . . . . 4918 1 298 . 1 1 55 55 LYS HA H 1 3.75 0.02 . 1 . . . . . . . . 4918 1 299 . 1 1 56 56 TYR N N 15 118.2 0.05 . 1 . . . . . . . . 4918 1 300 . 1 1 56 56 TYR H H 1 10.69 0.02 . 1 . . . . . . . . 4918 1 301 . 1 1 56 56 TYR HA H 1 4.64 0.02 . 1 . . . . . . . . 4918 1 302 . 1 1 56 56 TYR HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4918 1 303 . 1 1 56 56 TYR HB3 H 1 3.23 0.02 . 2 . . . . . . . . 4918 1 304 . 1 1 56 56 TYR HD1 H 1 7.02 0.02 . 3 . . . . . . . . 4918 1 305 . 1 1 56 56 TYR HE1 H 1 6.81 0.02 . 3 . . . . . . . . 4918 1 306 . 1 1 57 57 VAL N N 15 120.6 0.05 . 1 . . . . . . . . 4918 1 307 . 1 1 57 57 VAL H H 1 6.8 0.02 . 1 . . . . . . . . 4918 1 308 . 1 1 57 57 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 4918 1 309 . 1 1 57 57 VAL HB H 1 1.48 0.02 . 1 . . . . . . . . 4918 1 310 . 1 1 57 57 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 4918 1 311 . 1 1 57 57 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 4918 1 312 . 1 1 57 57 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 4918 1 313 . 1 1 57 57 VAL HG21 H 1 1.06 0.02 . 2 . . . . . . . . 4918 1 314 . 1 1 57 57 VAL HG22 H 1 1.06 0.02 . 2 . . . . . . . . 4918 1 315 . 1 1 57 57 VAL HG23 H 1 1.06 0.02 . 2 . . . . . . . . 4918 1 316 . 1 1 58 58 ALA N N 15 129.9 0.05 . 1 . . . . . . . . 4918 1 317 . 1 1 58 58 ALA H H 1 9.25 0.02 . 1 . . . . . . . . 4918 1 318 . 1 1 58 58 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 4918 1 319 . 1 1 58 58 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4918 1 320 . 1 1 58 58 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4918 1 321 . 1 1 58 58 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4918 1 322 . 1 1 59 59 LYS N N 15 111.6 0.05 . 1 . . . . . . . . 4918 1 323 . 1 1 59 59 LYS H H 1 7.34 0.02 . 1 . . . . . . . . 4918 1 324 . 1 1 59 59 LYS HA H 1 5.09 0.02 . 1 . . . . . . . . 4918 1 325 . 1 1 59 59 LYS HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4918 1 326 . 1 1 60 60 VAL N N 15 119.8 0.05 . 1 . . . . . . . . 4918 1 327 . 1 1 60 60 VAL H H 1 7.55 0.02 . 1 . . . . . . . . 4918 1 328 . 1 1 60 60 VAL HA H 1 4.79 0.02 . 1 . . . . . . . . 4918 1 329 . 1 1 60 60 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 4918 1 330 . 1 1 60 60 VAL HG11 H 1 0.6 0.02 . 2 . . . . . . . . 4918 1 331 . 1 1 60 60 VAL HG12 H 1 0.6 0.02 . 2 . . . . . . . . 4918 1 332 . 1 1 60 60 VAL HG13 H 1 0.6 0.02 . 2 . . . . . . . . 4918 1 333 . 1 1 60 60 VAL HG21 H 1 0.76 0.02 . 2 . . . . . . . . 4918 1 334 . 1 1 60 60 VAL HG22 H 1 0.76 0.02 . 2 . . . . . . . . 4918 1 335 . 1 1 60 60 VAL HG23 H 1 0.76 0.02 . 2 . . . . . . . . 4918 1 336 . 1 1 61 61 THR N N 15 123.7 0.05 . 1 . . . . . . . . 4918 1 337 . 1 1 61 61 THR H H 1 8.95 0.02 . 1 . . . . . . . . 4918 1 338 . 1 1 61 61 THR HA H 1 5.32 0.02 . 1 . . . . . . . . 4918 1 339 . 1 1 61 61 THR HB H 1 3.73 0.02 . 1 . . . . . . . . 4918 1 340 . 1 1 61 61 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 4918 1 341 . 1 1 61 61 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 4918 1 342 . 1 1 61 61 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 4918 1 343 . 1 1 62 62 THR N N 15 124.4 0.05 . 1 . . . . . . . . 4918 1 344 . 1 1 62 62 THR H H 1 9.86 0.02 . 1 . . . . . . . . 4918 1 345 . 1 1 62 62 THR HA H 1 5.41 0.02 . 1 . . . . . . . . 4918 1 346 . 1 1 62 62 THR HB H 1 4.65 0.02 . 1 . . . . . . . . 4918 1 347 . 1 1 62 62 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4918 1 348 . 1 1 62 62 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4918 1 349 . 1 1 62 62 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4918 1 350 . 1 1 63 63 GLY N N 15 112.1 0.05 . 1 . . . . . . . . 4918 1 351 . 1 1 63 63 GLY H H 1 8.7 0.02 . 1 . . . . . . . . 4918 1 352 . 1 1 63 63 GLY HA2 H 1 3.97 0.02 . 2 . . . . . . . . 4918 1 353 . 1 1 63 63 GLY HA3 H 1 4.08 0.02 . 2 . . . . . . . . 4918 1 354 . 1 1 64 64 GLY N N 15 113.4 0.05 . 1 . . . . . . . . 4918 1 355 . 1 1 64 64 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 4918 1 356 . 1 1 64 64 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 4918 1 357 . 1 1 64 64 GLY HA3 H 1 4.79 0.02 . 2 . . . . . . . . 4918 1 358 . 1 1 65 65 THR N N 15 116.4 0.05 . 1 . . . . . . . . 4918 1 359 . 1 1 65 65 THR H H 1 7.82 0.02 . 1 . . . . . . . . 4918 1 360 . 1 1 65 65 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 4918 1 361 . 1 1 65 65 THR HB H 1 3.92 0.02 . 1 . . . . . . . . 4918 1 362 . 1 1 65 65 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4918 1 363 . 1 1 65 65 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4918 1 364 . 1 1 65 65 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4918 1 365 . 1 1 66 66 ALA N N 15 129.7 0.05 . 1 . . . . . . . . 4918 1 366 . 1 1 66 66 ALA H H 1 8.49 0.02 . 1 . . . . . . . . 4918 1 367 . 1 1 66 66 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 4918 1 368 . 1 1 66 66 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4918 1 369 . 1 1 66 66 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4918 1 370 . 1 1 66 66 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4918 1 371 . 1 1 67 67 ALA N N 15 126 0.05 . 1 . . . . . . . . 4918 1 372 . 1 1 67 67 ALA H H 1 8.89 0.02 . 1 . . . . . . . . 4918 1 373 . 1 1 67 67 ALA HA H 1 4.69 0.02 . 1 . . . . . . . . 4918 1 374 . 1 1 67 67 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 375 . 1 1 67 67 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 376 . 1 1 67 67 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 377 . 1 1 68 68 ALA N N 15 123.6 0.05 . 1 . . . . . . . . 4918 1 378 . 1 1 68 68 ALA H H 1 8.79 0.02 . 1 . . . . . . . . 4918 1 379 . 1 1 68 68 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 4918 1 380 . 1 1 68 68 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4918 1 381 . 1 1 68 68 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4918 1 382 . 1 1 68 68 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4918 1 383 . 1 1 69 69 SER N N 15 103.8 0.05 . 1 . . . . . . . . 4918 1 384 . 1 1 69 69 SER H H 1 7.54 0.02 . 1 . . . . . . . . 4918 1 385 . 1 1 69 69 SER HA H 1 4.34 0.02 . 1 . . . . . . . . 4918 1 386 . 1 1 69 69 SER HB2 H 1 3.75 0.02 . 2 . . . . . . . . 4918 1 387 . 1 1 69 69 SER HB3 H 1 4.16 0.02 . 2 . . . . . . . . 4918 1 388 . 1 1 70 70 GLY N N 15 110.9 0.05 . 1 . . . . . . . . 4918 1 389 . 1 1 70 70 GLY H H 1 7.74 0.02 . 1 . . . . . . . . 4918 1 390 . 1 1 70 70 GLY HA2 H 1 2.5 0.02 . 2 . . . . . . . . 4918 1 391 . 1 1 70 70 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 4918 1 392 . 1 1 71 71 GLY N N 15 109.3 0.05 . 1 . . . . . . . . 4918 1 393 . 1 1 71 71 GLY H H 1 8.09 0.02 . 1 . . . . . . . . 4918 1 394 . 1 1 71 71 GLY HA2 H 1 3.27 0.02 . 2 . . . . . . . . 4918 1 395 . 1 1 71 71 GLY HA3 H 1 4.8 0.02 . 2 . . . . . . . . 4918 1 396 . 1 1 72 72 CYS N N 15 114.9 0.05 . 1 . . . . . . . . 4918 1 397 . 1 1 72 72 CYS H H 1 6.27 0.02 . 1 . . . . . . . . 4918 1 398 . 1 1 72 72 CYS HA H 1 5.02 0.02 . 1 . . . . . . . . 4918 1 399 . 1 1 72 72 CYS HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4918 1 400 . 1 1 72 72 CYS HB3 H 1 3.74 0.02 . 2 . . . . . . . . 4918 1 401 . 1 1 73 73 THR N N 15 112 0.05 . 1 . . . . . . . . 4918 1 402 . 1 1 73 73 THR H H 1 8.78 0.02 . 1 . . . . . . . . 4918 1 403 . 1 1 73 73 THR HA H 1 5.73 0.02 . 1 . . . . . . . . 4918 1 404 . 1 1 73 73 THR HB H 1 3.99 0.02 . 1 . . . . . . . . 4918 1 405 . 1 1 73 73 THR HG21 H 1 1.2 0.02 . 1 . . . . . . . . 4918 1 406 . 1 1 73 73 THR HG22 H 1 1.2 0.02 . 1 . . . . . . . . 4918 1 407 . 1 1 73 73 THR HG23 H 1 1.2 0.02 . 1 . . . . . . . . 4918 1 408 . 1 1 74 74 ILE N N 15 121.2 0.05 . 1 . . . . . . . . 4918 1 409 . 1 1 74 74 ILE H H 1 9.09 0.02 . 1 . . . . . . . . 4918 1 410 . 1 1 74 74 ILE HA H 1 4.31 0.02 . 1 . . . . . . . . 4918 1 411 . 1 1 74 74 ILE HB H 1 1.57 0.02 . 1 . . . . . . . . 4918 1 412 . 1 1 74 74 ILE HG12 H 1 1.72 0.02 . 1 . . . . . . . . 4918 1 413 . 1 1 74 74 ILE HG13 H 1 1.72 0.02 . 1 . . . . . . . . 4918 1 414 . 1 1 74 74 ILE HG21 H 1 0.8 0.02 . 1 . . . . . . . . 4918 1 415 . 1 1 74 74 ILE HG22 H 1 0.8 0.02 . 1 . . . . . . . . 4918 1 416 . 1 1 74 74 ILE HG23 H 1 0.8 0.02 . 1 . . . . . . . . 4918 1 417 . 1 1 74 74 ILE HD11 H 1 0.31 0.02 . 1 . . . . . . . . 4918 1 418 . 1 1 74 74 ILE HD12 H 1 0.31 0.02 . 1 . . . . . . . . 4918 1 419 . 1 1 74 74 ILE HD13 H 1 0.31 0.02 . 1 . . . . . . . . 4918 1 420 . 1 1 75 75 VAL N N 15 125.8 0.05 . 1 . . . . . . . . 4918 1 421 . 1 1 75 75 VAL H H 1 9.22 0.02 . 1 . . . . . . . . 4918 1 422 . 1 1 75 75 VAL HA H 1 5.16 0.02 . 1 . . . . . . . . 4918 1 423 . 1 1 75 75 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . 4918 1 424 . 1 1 75 75 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4918 1 425 . 1 1 75 75 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4918 1 426 . 1 1 75 75 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4918 1 427 . 1 1 75 75 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 428 . 1 1 75 75 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 429 . 1 1 75 75 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 430 . 1 1 76 76 ALA N N 15 135.2 0.05 . 1 . . . . . . . . 4918 1 431 . 1 1 76 76 ALA H H 1 10.15 0.02 . 1 . . . . . . . . 4918 1 432 . 1 1 76 76 ALA HA H 1 5.31 0.02 . 1 . . . . . . . . 4918 1 433 . 1 1 76 76 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 434 . 1 1 76 76 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 435 . 1 1 76 76 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4918 1 436 . 1 1 77 77 THR N N 15 118.4 0.05 . 1 . . . . . . . . 4918 1 437 . 1 1 77 77 THR H H 1 8.69 0.02 . 1 . . . . . . . . 4918 1 438 . 1 1 77 77 THR HA H 1 4.75 0.02 . 1 . . . . . . . . 4918 1 439 . 1 1 77 77 THR HB H 1 3.81 0.02 . 1 . . . . . . . . 4918 1 440 . 1 1 77 77 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4918 1 441 . 1 1 77 77 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4918 1 442 . 1 1 77 77 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4918 1 443 . 1 1 78 78 MET N N 15 125.3 0.05 . 1 . . . . . . . . 4918 1 444 . 1 1 78 78 MET H H 1 9.25 0.02 . 1 . . . . . . . . 4918 1 445 . 1 1 78 78 MET HA H 1 4.98 0.02 . 1 . . . . . . . . 4918 1 446 . 1 1 78 78 MET HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4918 1 447 . 1 1 78 78 MET HB3 H 1 2.41 0.02 . 2 . . . . . . . . 4918 1 448 . 1 1 78 78 MET HG3 H 1 2.56 0.02 . 2 . . . . . . . . 4918 1 449 . 1 1 79 79 LYS N N 15 119.2 0.05 . 1 . . . . . . . . 4918 1 450 . 1 1 79 79 LYS H H 1 8.4 0.02 . 1 . . . . . . . . 4918 1 451 . 1 1 79 79 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 4918 1 452 . 1 1 79 79 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4918 1 453 . 1 1 79 79 LYS HG2 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 454 . 1 1 79 79 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 4918 1 455 . 1 1 79 79 LYS HD3 H 1 2.29 0.02 . 2 . . . . . . . . 4918 1 456 . 1 1 80 80 ALA N N 15 120.2 0.05 . 1 . . . . . . . . 4918 1 457 . 1 1 80 80 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 4918 1 458 . 1 1 80 80 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 4918 1 459 . 1 1 80 80 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 4918 1 460 . 1 1 80 80 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 4918 1 461 . 1 1 80 80 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 4918 1 462 . 1 1 81 81 SER N N 15 110.7 0.05 . 1 . . . . . . . . 4918 1 463 . 1 1 81 81 SER H H 1 7.63 0.02 . 1 . . . . . . . . 4918 1 464 . 1 1 81 81 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4918 1 465 . 1 1 81 81 SER HB3 H 1 3.8 0.02 . 2 . . . . . . . . 4918 1 466 . 1 1 82 82 ASP N N 15 115.5 0.05 . 1 . . . . . . . . 4918 1 467 . 1 1 82 82 ASP H H 1 8.66 0.02 . 1 . . . . . . . . 4918 1 468 . 1 1 82 82 ASP HA H 1 4.31 0.02 . 1 . . . . . . . . 4918 1 469 . 1 1 82 82 ASP HB3 H 1 2.95 0.02 . 2 . . . . . . . . 4918 1 470 . 1 1 83 83 VAL N N 15 112 0.05 . 1 . . . . . . . . 4918 1 471 . 1 1 83 83 VAL H H 1 7.33 0.02 . 1 . . . . . . . . 4918 1 472 . 1 1 83 83 VAL HA H 1 4.31 0.02 . 1 . . . . . . . . 4918 1 473 . 1 1 83 83 VAL HB H 1 2 0.02 . 1 . . . . . . . . 4918 1 474 . 1 1 83 83 VAL HG11 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 475 . 1 1 83 83 VAL HG12 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 476 . 1 1 83 83 VAL HG13 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 477 . 1 1 83 83 VAL HG21 H 1 0.8 0.02 . 2 . . . . . . . . 4918 1 478 . 1 1 83 83 VAL HG22 H 1 0.8 0.02 . 2 . . . . . . . . 4918 1 479 . 1 1 83 83 VAL HG23 H 1 0.8 0.02 . 2 . . . . . . . . 4918 1 480 . 1 1 84 84 ALA N N 15 128.2 0.05 . 1 . . . . . . . . 4918 1 481 . 1 1 84 84 ALA H H 1 9.61 0.02 . 1 . . . . . . . . 4918 1 482 . 1 1 84 84 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 4918 1 483 . 1 1 84 84 ALA HB1 H 1 1.16 0.02 . 1 . . . . . . . . 4918 1 484 . 1 1 84 84 ALA HB2 H 1 1.16 0.02 . 1 . . . . . . . . 4918 1 485 . 1 1 84 84 ALA HB3 H 1 1.16 0.02 . 1 . . . . . . . . 4918 1 486 . 1 1 85 85 THR N N 15 119.2 0.05 . 1 . . . . . . . . 4918 1 487 . 1 1 85 85 THR H H 1 8.85 0.02 . 1 . . . . . . . . 4918 1 488 . 1 1 85 85 THR HA H 1 3.74 0.02 . 1 . . . . . . . . 4918 1 489 . 1 1 85 85 THR HB H 1 4.31 0.02 . 1 . . . . . . . . 4918 1 490 . 1 1 85 85 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 491 . 1 1 85 85 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 492 . 1 1 85 85 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 493 . 1 1 86 86 PRO HA H 1 4.53 0.02 . 1 . . . . . . . . 4918 1 494 . 1 1 86 86 PRO HB3 H 1 2.5 0.02 . 2 . . . . . . . . 4918 1 495 . 1 1 86 86 PRO HG2 H 1 1.54 0.02 . 2 . . . . . . . . 4918 1 496 . 1 1 86 86 PRO HG3 H 1 1.95 0.02 . 2 . . . . . . . . 4918 1 497 . 1 1 86 86 PRO HD2 H 1 3.39 0.02 . 2 . . . . . . . . 4918 1 498 . 1 1 86 86 PRO HD3 H 1 3.79 0.02 . 2 . . . . . . . . 4918 1 499 . 1 1 87 87 LEU N N 15 114.5 0.05 . 1 . . . . . . . . 4918 1 500 . 1 1 87 87 LEU H H 1 8.04 0.02 . 1 . . . . . . . . 4918 1 501 . 1 1 87 87 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 4918 1 502 . 1 1 87 87 LEU HB2 H 1 1.41 0.02 . 2 . . . . . . . . 4918 1 503 . 1 1 87 87 LEU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4918 1 504 . 1 1 87 87 LEU HG H 1 1.03 0.02 . 1 . . . . . . . . 4918 1 505 . 1 1 87 87 LEU HD11 H 1 0.53 0.02 . 2 . . . . . . . . 4918 1 506 . 1 1 87 87 LEU HD12 H 1 0.53 0.02 . 2 . . . . . . . . 4918 1 507 . 1 1 87 87 LEU HD13 H 1 0.53 0.02 . 2 . . . . . . . . 4918 1 508 . 1 1 87 87 LEU HD21 H 1 0.88 0.02 . 2 . . . . . . . . 4918 1 509 . 1 1 87 87 LEU HD22 H 1 0.88 0.02 . 2 . . . . . . . . 4918 1 510 . 1 1 87 87 LEU HD23 H 1 0.88 0.02 . 2 . . . . . . . . 4918 1 511 . 1 1 88 88 ARG N N 15 119.4 0.05 . 1 . . . . . . . . 4918 1 512 . 1 1 88 88 ARG H H 1 7.02 0.02 . 1 . . . . . . . . 4918 1 513 . 1 1 88 88 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . 4918 1 514 . 1 1 88 88 ARG HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4918 1 515 . 1 1 88 88 ARG HG2 H 1 1.15 0.02 . 2 . . . . . . . . 4918 1 516 . 1 1 88 88 ARG HG3 H 1 1.33 0.02 . 2 . . . . . . . . 4918 1 517 . 1 1 89 89 GLY N N 15 111.5 0.05 . 1 . . . . . . . . 4918 1 518 . 1 1 89 89 GLY H H 1 7.52 0.02 . 1 . . . . . . . . 4918 1 519 . 1 1 89 89 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 4918 1 520 . 1 1 89 89 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4918 1 521 . 1 1 90 90 LYS N N 15 119.3 0.05 . 1 . . . . . . . . 4918 1 522 . 1 1 90 90 LYS H H 1 7.67 0.02 . 1 . . . . . . . . 4918 1 523 . 1 1 90 90 LYS HA H 1 4.47 0.02 . 1 . . . . . . . . 4918 1 524 . 1 1 90 90 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4918 1 525 . 1 1 90 90 LYS HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4918 1 526 . 1 1 90 90 LYS HG3 H 1 1.14 0.02 . 2 . . . . . . . . 4918 1 527 . 1 1 90 90 LYS HD3 H 1 1.53 0.02 . 2 . . . . . . . . 4918 1 528 . 1 1 91 91 THR N N 15 108.2 0.05 . 1 . . . . . . . . 4918 1 529 . 1 1 91 91 THR H H 1 9.32 0.02 . 1 . . . . . . . . 4918 1 530 . 1 1 91 91 THR HA H 1 5.67 0.02 . 1 . . . . . . . . 4918 1 531 . 1 1 91 91 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 4918 1 532 . 1 1 91 91 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4918 1 533 . 1 1 91 91 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4918 1 534 . 1 1 91 91 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4918 1 535 . 1 1 92 92 LEU N N 15 124.8 0.05 . 1 . . . . . . . . 4918 1 536 . 1 1 92 92 LEU H H 1 8.68 0.02 . 1 . . . . . . . . 4918 1 537 . 1 1 92 92 LEU HA H 1 4.88 0.02 . 1 . . . . . . . . 4918 1 538 . 1 1 92 92 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 4918 1 539 . 1 1 92 92 LEU HG H 1 1.82 0.02 . 1 . . . . . . . . 4918 1 540 . 1 1 92 92 LEU HD11 H 1 0.8 0.02 . 2 . . . . . . . . 4918 1 541 . 1 1 92 92 LEU HD12 H 1 0.8 0.02 . 2 . . . . . . . . 4918 1 542 . 1 1 92 92 LEU HD13 H 1 0.8 0.02 . 2 . . . . . . . . 4918 1 543 . 1 1 92 92 LEU HD21 H 1 0.88 0.02 . 2 . . . . . . . . 4918 1 544 . 1 1 92 92 LEU HD22 H 1 0.88 0.02 . 2 . . . . . . . . 4918 1 545 . 1 1 92 92 LEU HD23 H 1 0.88 0.02 . 2 . . . . . . . . 4918 1 546 . 1 1 93 93 THR N N 15 124.7 0.05 . 1 . . . . . . . . 4918 1 547 . 1 1 93 93 THR H H 1 9.81 0.02 . 1 . . . . . . . . 4918 1 548 . 1 1 93 93 THR HA H 1 5.3 0.02 . 1 . . . . . . . . 4918 1 549 . 1 1 93 93 THR HB H 1 4 0.02 . 1 . . . . . . . . 4918 1 550 . 1 1 93 93 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 4918 1 551 . 1 1 93 93 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 4918 1 552 . 1 1 93 93 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 4918 1 553 . 1 1 94 94 LEU N N 15 126 0.05 . 1 . . . . . . . . 4918 1 554 . 1 1 94 94 LEU H H 1 9.53 0.02 . 1 . . . . . . . . 4918 1 555 . 1 1 94 94 LEU HA H 1 5.63 0.02 . 1 . . . . . . . . 4918 1 556 . 1 1 94 94 LEU HB2 H 1 1.45 0.02 . 2 . . . . . . . . 4918 1 557 . 1 1 94 94 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4918 1 558 . 1 1 94 94 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 4918 1 559 . 1 1 94 94 LEU HD11 H 1 1.04 0.02 . 2 . . . . . . . . 4918 1 560 . 1 1 94 94 LEU HD12 H 1 1.04 0.02 . 2 . . . . . . . . 4918 1 561 . 1 1 94 94 LEU HD13 H 1 1.04 0.02 . 2 . . . . . . . . 4918 1 562 . 1 1 94 94 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 563 . 1 1 94 94 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 564 . 1 1 94 94 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 4918 1 565 . 1 1 95 95 THR N N 15 118.4 0.05 . 1 . . . . . . . . 4918 1 566 . 1 1 95 95 THR H H 1 8.85 0.02 . 1 . . . . . . . . 4918 1 567 . 1 1 95 95 THR HA H 1 5.15 0.02 . 1 . . . . . . . . 4918 1 568 . 1 1 95 95 THR HB H 1 3.75 0.02 . 1 . . . . . . . . 4918 1 569 . 1 1 95 95 THR HG21 H 1 0.97 0.02 . 1 . . . . . . . . 4918 1 570 . 1 1 95 95 THR HG22 H 1 0.97 0.02 . 1 . . . . . . . . 4918 1 571 . 1 1 95 95 THR HG23 H 1 0.97 0.02 . 1 . . . . . . . . 4918 1 572 . 1 1 96 96 LEU N N 15 133.9 0.05 . 1 . . . . . . . . 4918 1 573 . 1 1 96 96 LEU H H 1 8.79 0.02 . 1 . . . . . . . . 4918 1 574 . 1 1 96 96 LEU HA H 1 3.37 0.02 . 1 . . . . . . . . 4918 1 575 . 1 1 96 96 LEU HB2 H 1 -0.04 0.02 . 2 . . . . . . . . 4918 1 576 . 1 1 96 96 LEU HB3 H 1 0.96 0.02 . 2 . . . . . . . . 4918 1 577 . 1 1 96 96 LEU HG H 1 0.58 0.02 . 1 . . . . . . . . 4918 1 578 . 1 1 96 96 LEU HD11 H 1 -0.16 0.02 . 2 . . . . . . . . 4918 1 579 . 1 1 96 96 LEU HD12 H 1 -0.16 0.02 . 2 . . . . . . . . 4918 1 580 . 1 1 96 96 LEU HD13 H 1 -0.16 0.02 . 2 . . . . . . . . 4918 1 581 . 1 1 96 96 LEU HD21 H 1 -0.26 0.02 . 2 . . . . . . . . 4918 1 582 . 1 1 96 96 LEU HD22 H 1 -0.26 0.02 . 2 . . . . . . . . 4918 1 583 . 1 1 96 96 LEU HD23 H 1 -0.26 0.02 . 2 . . . . . . . . 4918 1 584 . 1 1 97 97 GLY N N 15 119.4 0.05 . 1 . . . . . . . . 4918 1 585 . 1 1 97 97 GLY H H 1 9.04 0.02 . 1 . . . . . . . . 4918 1 586 . 1 1 97 97 GLY HA2 H 1 3.54 0.02 . 2 . . . . . . . . 4918 1 587 . 1 1 97 97 GLY HA3 H 1 4.81 0.02 . 2 . . . . . . . . 4918 1 588 . 1 1 98 98 ASN N N 15 114.5 0.05 . 1 . . . . . . . . 4918 1 589 . 1 1 98 98 ASN H H 1 8.51 0.02 . 1 . . . . . . . . 4918 1 590 . 1 1 98 98 ASN HA H 1 4.41 0.02 . 1 . . . . . . . . 4918 1 591 . 1 1 98 98 ASN HB2 H 1 2.65 0.02 . 2 . . . . . . . . 4918 1 592 . 1 1 98 98 ASN HB3 H 1 3.35 0.02 . 2 . . . . . . . . 4918 1 593 . 1 1 98 98 ASN ND2 N 15 112.8 0.05 . 1 . . . . . . . . 4918 1 594 . 1 1 98 98 ASN HD21 H 1 6.79 0.02 . 2 . . . . . . . . 4918 1 595 . 1 1 98 98 ASN HD22 H 1 7.86 0.02 . 2 . . . . . . . . 4918 1 596 . 1 1 99 99 ALA N N 15 120.6 0.05 . 1 . . . . . . . . 4918 1 597 . 1 1 99 99 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 4918 1 598 . 1 1 99 99 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 4918 1 599 . 1 1 99 99 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 4918 1 600 . 1 1 99 99 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 4918 1 601 . 1 1 99 99 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 4918 1 602 . 1 1 100 100 ASP N N 15 115.8 0.05 . 1 . . . . . . . . 4918 1 603 . 1 1 100 100 ASP H H 1 9.2 0.02 . 1 . . . . . . . . 4918 1 604 . 1 1 100 100 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 4918 1 605 . 1 1 100 100 ASP HB2 H 1 2.49 0.02 . 2 . . . . . . . . 4918 1 606 . 1 1 100 100 ASP HB3 H 1 2.7 0.02 . 2 . . . . . . . . 4918 1 607 . 1 1 101 101 LYS N N 15 119.5 0.05 . 1 . . . . . . . . 4918 1 608 . 1 1 101 101 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 4918 1 609 . 1 1 101 101 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . 4918 1 610 . 1 1 101 101 LYS HB2 H 1 1.7 0.02 . 2 . . . . . . . . 4918 1 611 . 1 1 101 101 LYS HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4918 1 612 . 1 1 101 101 LYS HG2 H 1 1.28 0.02 . 2 . . . . . . . . 4918 1 613 . 1 1 101 101 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4918 1 614 . 1 1 102 102 GLY N N 15 107.6 0.05 . 1 . . . . . . . . 4918 1 615 . 1 1 102 102 GLY H H 1 7.87 0.02 . 1 . . . . . . . . 4918 1 616 . 1 1 102 102 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 4918 1 617 . 1 1 102 102 GLY HA3 H 1 3.75 0.02 . 2 . . . . . . . . 4918 1 618 . 1 1 103 103 SER N N 15 115.8 0.05 . 1 . . . . . . . . 4918 1 619 . 1 1 103 103 SER H H 1 7.59 0.02 . 1 . . . . . . . . 4918 1 620 . 1 1 103 103 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 4918 1 621 . 1 1 103 103 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 4918 1 622 . 1 1 103 103 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 4918 1 623 . 1 1 104 104 TYR N N 15 122.2 0.05 . 1 . . . . . . . . 4918 1 624 . 1 1 104 104 TYR H H 1 8.15 0.02 . 1 . . . . . . . . 4918 1 625 . 1 1 104 104 TYR HA H 1 4.67 0.02 . 1 . . . . . . . . 4918 1 626 . 1 1 104 104 TYR HB2 H 1 2.8 0.02 . 2 . . . . . . . . 4918 1 627 . 1 1 104 104 TYR HB3 H 1 2.94 0.02 . 2 . . . . . . . . 4918 1 628 . 1 1 104 104 TYR HD1 H 1 7.07 0.02 . 3 . . . . . . . . 4918 1 629 . 1 1 104 104 TYR HE1 H 1 7.02 0.02 . 3 . . . . . . . . 4918 1 630 . 1 1 105 105 THR N N 15 115.2 0.05 . 1 . . . . . . . . 4918 1 631 . 1 1 105 105 THR H H 1 8.4 0.02 . 1 . . . . . . . . 4918 1 632 . 1 1 105 105 THR HA H 1 4.66 0.02 . 1 . . . . . . . . 4918 1 633 . 1 1 105 105 THR HB H 1 4.13 0.02 . 1 . . . . . . . . 4918 1 634 . 1 1 105 105 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4918 1 635 . 1 1 105 105 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4918 1 636 . 1 1 105 105 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4918 1 637 . 1 1 106 106 TRP N N 15 121.9 0.05 . 1 . . . . . . . . 4918 1 638 . 1 1 106 106 TRP H H 1 8.61 0.02 . 1 . . . . . . . . 4918 1 639 . 1 1 106 106 TRP HA H 1 5.22 0.02 . 1 . . . . . . . . 4918 1 640 . 1 1 106 106 TRP HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4918 1 641 . 1 1 106 106 TRP HD1 H 1 7.21 0.02 . 2 . . . . . . . . 4918 1 642 . 1 1 106 106 TRP NE1 N 15 129.1 0.05 . 1 . . . . . . . . 4918 1 643 . 1 1 106 106 TRP HE1 H 1 10.16 0.02 . 1 . . . . . . . . 4918 1 644 . 1 1 106 106 TRP HE3 H 1 7.5 0.02 . 1 . . . . . . . . 4918 1 645 . 1 1 106 106 TRP HZ2 H 1 7.5 0.02 . 1 . . . . . . . . 4918 1 646 . 1 1 106 106 TRP HZ3 H 1 6.77 0.02 . 1 . . . . . . . . 4918 1 647 . 1 1 106 106 TRP HH2 H 1 6.77 0.02 . 1 . . . . . . . . 4918 1 648 . 1 1 107 107 ALA N N 15 127.3 0.05 . 1 . . . . . . . . 4918 1 649 . 1 1 107 107 ALA H H 1 8.64 0.02 . 1 . . . . . . . . 4918 1 650 . 1 1 107 107 ALA HA H 1 4.7 0.02 . 1 . . . . . . . . 4918 1 651 . 1 1 107 107 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 4918 1 652 . 1 1 107 107 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 4918 1 653 . 1 1 107 107 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 4918 1 654 . 1 1 108 108 CYS N N 15 124.5 0.05 . 1 . . . . . . . . 4918 1 655 . 1 1 108 108 CYS H H 1 9.23 0.02 . 1 . . . . . . . . 4918 1 656 . 1 1 108 108 CYS HA H 1 5.72 0.02 . 1 . . . . . . . . 4918 1 657 . 1 1 108 108 CYS HB2 H 1 3.18 0.02 . 2 . . . . . . . . 4918 1 658 . 1 1 108 108 CYS HB3 H 1 3.32 0.02 . 2 . . . . . . . . 4918 1 659 . 1 1 109 109 THR N N 15 122.5 0.05 . 1 . . . . . . . . 4918 1 660 . 1 1 109 109 THR H H 1 9.69 0.02 . 1 . . . . . . . . 4918 1 661 . 1 1 109 109 THR HA H 1 5.37 0.02 . 1 . . . . . . . . 4918 1 662 . 1 1 109 109 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 4918 1 663 . 1 1 109 109 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 664 . 1 1 109 109 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 665 . 1 1 109 109 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4918 1 666 . 1 1 110 110 SER N N 15 112.4 0.05 . 1 . . . . . . . . 4918 1 667 . 1 1 110 110 SER H H 1 8.25 0.02 . 1 . . . . . . . . 4918 1 668 . 1 1 110 110 SER HA H 1 5.52 0.02 . 1 . . . . . . . . 4918 1 669 . 1 1 110 110 SER HB2 H 1 3.43 0.02 . 2 . . . . . . . . 4918 1 670 . 1 1 110 110 SER HB3 H 1 4.03 0.02 . 2 . . . . . . . . 4918 1 671 . 1 1 110 110 SER HG H 1 5.79 0.02 . 1 . . . . . . . . 4918 1 672 . 1 1 111 111 ASN N N 15 122 0.05 . 1 . . . . . . . . 4918 1 673 . 1 1 111 111 ASN H H 1 7.89 0.02 . 1 . . . . . . . . 4918 1 674 . 1 1 111 111 ASN HA H 1 5.09 0.02 . 1 . . . . . . . . 4918 1 675 . 1 1 111 111 ASN HB2 H 1 2.74 0.02 . 2 . . . . . . . . 4918 1 676 . 1 1 111 111 ASN HB3 H 1 3.33 0.02 . 2 . . . . . . . . 4918 1 677 . 1 1 111 111 ASN ND2 N 15 108.6 0.05 . 1 . . . . . . . . 4918 1 678 . 1 1 111 111 ASN HD21 H 1 7.12 0.02 . 2 . . . . . . . . 4918 1 679 . 1 1 111 111 ASN HD22 H 1 7.28 0.02 . 2 . . . . . . . . 4918 1 680 . 1 1 112 112 ALA N N 15 123.7 0.05 . 1 . . . . . . . . 4918 1 681 . 1 1 112 112 ALA H H 1 8.72 0.02 . 1 . . . . . . . . 4918 1 682 . 1 1 112 112 ALA HA H 1 4.48 0.02 . 1 . . . . . . . . 4918 1 683 . 1 1 112 112 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4918 1 684 . 1 1 112 112 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4918 1 685 . 1 1 112 112 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4918 1 686 . 1 1 113 113 ASP N N 15 118.4 0.05 . 1 . . . . . . . . 4918 1 687 . 1 1 113 113 ASP H H 1 8.22 0.02 . 1 . . . . . . . . 4918 1 688 . 1 1 113 113 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 4918 1 689 . 1 1 113 113 ASP HB2 H 1 1.32 0.02 . 2 . . . . . . . . 4918 1 690 . 1 1 113 113 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4918 1 691 . 1 1 114 114 ASN N N 15 121.3 0.05 . 1 . . . . . . . . 4918 1 692 . 1 1 114 114 ASN H H 1 8.39 0.02 . 1 . . . . . . . . 4918 1 693 . 1 1 114 114 ASN HA H 1 4.21 0.02 . 1 . . . . . . . . 4918 1 694 . 1 1 114 114 ASN HB2 H 1 2.68 0.02 . 2 . . . . . . . . 4918 1 695 . 1 1 114 114 ASN HB3 H 1 2.79 0.02 . 2 . . . . . . . . 4918 1 696 . 1 1 114 114 ASN ND2 N 15 113.3 0.05 . 1 . . . . . . . . 4918 1 697 . 1 1 114 114 ASN HD21 H 1 7.09 0.02 . 2 . . . . . . . . 4918 1 698 . 1 1 114 114 ASN HD22 H 1 7.64 0.02 . 2 . . . . . . . . 4918 1 699 . 1 1 115 115 LYS N N 15 116.8 0.05 . 1 . . . . . . . . 4918 1 700 . 1 1 115 115 LYS H H 1 7.21 0.02 . 1 . . . . . . . . 4918 1 701 . 1 1 115 115 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 4918 1 702 . 1 1 115 115 LYS HB2 H 1 1.23 0.02 . 2 . . . . . . . . 4918 1 703 . 1 1 115 115 LYS HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4918 1 704 . 1 1 116 116 TYR N N 15 116.1 0.05 . 1 . . . . . . . . 4918 1 705 . 1 1 116 116 TYR H H 1 7.65 0.02 . 1 . . . . . . . . 4918 1 706 . 1 1 116 116 TYR HA H 1 4.62 0.02 . 1 . . . . . . . . 4918 1 707 . 1 1 116 116 TYR HB2 H 1 2.5 0.02 . 2 . . . . . . . . 4918 1 708 . 1 1 116 116 TYR HB3 H 1 3.21 0.02 . 2 . . . . . . . . 4918 1 709 . 1 1 116 116 TYR HD1 H 1 7.11 0.02 . 2 . . . . . . . . 4918 1 710 . 1 1 116 116 TYR HE1 H 1 6.83 0.02 . 2 . . . . . . . . 4918 1 711 . 1 1 117 117 LEU N N 15 117.1 0.05 . 1 . . . . . . . . 4918 1 712 . 1 1 117 117 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4918 1 713 . 1 1 117 117 LEU HA H 1 3.99 0.02 . 1 . . . . . . . . 4918 1 714 . 1 1 117 117 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 4918 1 715 . 1 1 117 117 LEU HG H 1 1.3 0.02 . 2 . . . . . . . . 4918 1 716 . 1 1 117 117 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 4918 1 717 . 1 1 117 117 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 4918 1 718 . 1 1 117 117 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 4918 1 719 . 1 1 117 117 LEU HD21 H 1 0.35 0.02 . 2 . . . . . . . . 4918 1 720 . 1 1 117 117 LEU HD22 H 1 0.35 0.02 . 2 . . . . . . . . 4918 1 721 . 1 1 117 117 LEU HD23 H 1 0.35 0.02 . 2 . . . . . . . . 4918 1 722 . 1 1 121 121 CYS N N 15 120.4 0.05 . 1 . . . . . . . . 4918 1 723 . 1 1 121 121 CYS H H 1 7.92 0.02 . 1 . . . . . . . . 4918 1 724 . 1 1 121 121 CYS HA H 1 5.11 0.02 . 1 . . . . . . . . 4918 1 725 . 1 1 121 121 CYS HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4918 1 726 . 1 1 121 121 CYS HB3 H 1 3.16 0.02 . 2 . . . . . . . . 4918 1 727 . 1 1 122 122 GLN N N 15 120.2 0.05 . 1 . . . . . . . . 4918 1 728 . 1 1 122 122 GLN H H 1 7.74 0.02 . 1 . . . . . . . . 4918 1 729 . 1 1 122 122 GLN HA H 1 4.67 0.02 . 1 . . . . . . . . 4918 1 730 . 1 1 122 122 GLN HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4918 1 731 . 1 1 122 122 GLN HB3 H 1 2.15 0.02 . 2 . . . . . . . . 4918 1 732 . 1 1 122 122 GLN HG2 H 1 2.36 0.02 . 2 . . . . . . . . 4918 1 733 . 1 1 122 122 GLN HG3 H 1 2.44 0.02 . 2 . . . . . . . . 4918 1 734 . 1 1 122 122 GLN NE2 N 15 112.1 0.05 . 1 . . . . . . . . 4918 1 735 . 1 1 122 122 GLN HE21 H 1 6.75 0.02 . 2 . . . . . . . . 4918 1 736 . 1 1 122 122 GLN HE22 H 1 7.33 0.02 . 2 . . . . . . . . 4918 1 737 . 1 1 123 123 THR N N 15 117.1 0.05 . 1 . . . . . . . . 4918 1 738 . 1 1 123 123 THR H H 1 8.52 0.02 . 1 . . . . . . . . 4918 1 739 . 1 1 123 123 THR HA H 1 4.67 0.02 . 1 . . . . . . . . 4918 1 740 . 1 1 123 123 THR HB H 1 4.16 0.02 . 1 . . . . . . . . 4918 1 741 . 1 1 123 123 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 4918 1 742 . 1 1 123 123 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 4918 1 743 . 1 1 123 123 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 4918 1 744 . 1 1 124 124 ALA N N 15 127.9 0.05 . 1 . . . . . . . . 4918 1 745 . 1 1 124 124 ALA H H 1 8.53 0.02 . 1 . . . . . . . . 4918 1 746 . 1 1 124 124 ALA HA H 1 4.49 0.02 . 1 . . . . . . . . 4918 1 747 . 1 1 124 124 ALA HB1 H 1 1.4 0.02 . 1 . . . . . . . . 4918 1 748 . 1 1 124 124 ALA HB2 H 1 1.4 0.02 . 1 . . . . . . . . 4918 1 749 . 1 1 124 124 ALA HB3 H 1 1.4 0.02 . 1 . . . . . . . . 4918 1 750 . 1 1 125 125 THR N N 15 118.3 0.05 . 5 . . . . . . . . 4918 1 751 . 1 1 125 125 THR H H 1 8.58 0.02 . 5 . . . . . . . . 4918 1 752 . 1 1 125 125 THR HA H 1 4.1 0.02 . 5 . . . . . . . . 4918 1 753 . 1 1 125 125 THR HB H 1 4.28 0.02 . 5 . . . . . . . . 4918 1 754 . 1 1 125 125 THR HG21 H 1 1.18 0.02 . 5 . . . . . . . . 4918 1 755 . 1 1 125 125 THR HG22 H 1 1.18 0.02 . 5 . . . . . . . . 4918 1 756 . 1 1 125 125 THR HG23 H 1 1.18 0.02 . 5 . . . . . . . . 4918 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 4918 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $Ex-con_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4918 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 10 10 ALA H H 1 . . 1 1 10 10 ALA HA H 1 . 4.3 . . 0.1 . . . . . . . . . . . 4918 1 2 3JHNHA . 1 1 11 11 GLN H H 1 . . 1 1 11 11 GLN HA H 1 . 4.6 . . 0.1 . . . . . . . . . . . 4918 1 3 3JHNHA . 1 1 12 12 LEU H H 1 . . 1 1 12 12 LEU HA H 1 . 5.1 . . 0.1 . . . . . . . . . . . 4918 1 4 3JHNHA . 1 1 13 13 SER H H 1 . . 1 1 13 13 SER HA H 1 . 3.1 . . 0.1 . . . . . . . . . . . 4918 1 5 3JHNHA . 1 1 14 14 GLU H H 1 . . 1 1 14 14 GLU HA H 1 . 4.8 . . 0.1 . . . . . . . . . . . 4918 1 6 3JHNHA . 1 1 15 15 ALA H H 1 . . 1 1 15 15 ALA HA H 1 . 4.8 . . 0.1 . . . . . . . . . . . 4918 1 7 3JHNHA . 1 1 16 16 MET H H 1 . . 1 1 16 16 MET HA H 1 . 4.6 . . 0.1 . . . . . . . . . . . 4918 1 8 3JHNHA . 1 1 17 17 THR H H 1 . . 1 1 17 17 THR HA H 1 . 3.5 . . 0.1 . . . . . . . . . . . 4918 1 9 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 4.6 . . 0.1 . . . . . . . . . . . 4918 1 10 3JHNHA . 1 1 19 19 ALA H H 1 . . 1 1 19 19 ALA HA H 1 . 3.9 . . 0.1 . . . . . . . . . . . 4918 1 11 3JHNHA . 1 1 20 20 SER H H 1 . . 1 1 20 20 SER HA H 1 . 3.3 . . 0.1 . . . . . . . . . . . 4918 1 12 3JHNHA . 1 1 23 23 LYS H H 1 . . 1 1 23 23 LYS HA H 1 . 2.4 . . 0.1 . . . . . . . . . . . 4918 1 13 3JHNHA . 1 1 24 24 THR H H 1 . . 1 1 24 24 THR HA H 1 . 4.4 . . 0.1 . . . . . . . . . . . 4918 1 14 3JHNHA . 1 1 25 25 LYS H H 1 . . 1 1 25 25 LYS HA H 1 . 4.4 . . 0.1 . . . . . . . . . . . 4918 1 15 3JHNHA . 1 1 26 26 VAL H H 1 . . 1 1 26 26 VAL HA H 1 . 5.1 . . 0.1 . . . . . . . . . . . 4918 1 16 3JHNHA . 1 1 28 28 ASP H H 1 . . 1 1 28 28 ASP HA H 1 . 3.1 . . 0.1 . . . . . . . . . . . 4918 1 17 3JHNHA . 1 1 29 29 ILE H H 1 . . 1 1 29 29 ILE HA H 1 . 5.9 . . 0.1 . . . . . . . . . . . 4918 1 18 3JHNHA . 1 1 30 30 PHE H H 1 . . 1 1 30 30 PHE HA H 1 . 3.0 . . 0.1 . . . . . . . . . . . 4918 1 19 3JHNHA . 1 1 32 32 GLN H H 1 . . 1 1 32 32 GLN HA H 1 . 6.9 . . 0.1 . . . . . . . . . . . 4918 1 20 3JHNHA . 1 1 33 33 ASP H H 1 . . 1 1 33 33 ASP HA H 1 . 9.3 . . 0.1 . . . . . . . . . . . 4918 1 21 3JHNHA . 1 1 35 35 SER H H 1 . . 1 1 35 35 SER HA H 1 . 8.8 . . 0.1 . . . . . . . . . . . 4918 1 22 3JHNHA . 1 1 36 36 CYS H H 1 . . 1 1 36 36 CYS HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 4918 1 23 3JHNHA . 1 1 38 38 ALA H H 1 . . 1 1 38 38 ALA HA H 1 . 8.5 . . 0.1 . . . . . . . . . . . 4918 1 24 3JHNHA . 1 1 39 39 ASN H H 1 . . 1 1 39 39 ASN HA H 1 . 8.0 . . 0.1 . . . . . . . . . . . 4918 1 25 3JHNHA . 1 1 40 40 THR H H 1 . . 1 1 40 40 THR HA H 1 . 6.3 . . 0.1 . . . . . . . . . . . 4918 1 26 3JHNHA . 1 1 41 41 ALA H H 1 . . 1 1 41 41 ALA HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 4918 1 27 3JHNHA . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA HA H 1 . 4.2 . . 0.1 . . . . . . . . . . . 4918 1 28 3JHNHA . 1 1 43 43 THR H H 1 . . 1 1 43 43 THR HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4918 1 29 3JHNHA . 1 1 44 44 ALA H H 1 . . 1 1 44 44 ALA HA H 1 . 5.8 . . 0.1 . . . . . . . . . . . 4918 1 30 3JHNHA . 1 1 46 46 ILE H H 1 . . 1 1 46 46 ILE HA H 1 . 8.5 . . 0.1 . . . . . . . . . . . 4918 1 31 3JHNHA . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS HA H 1 . 4.3 . . 0.1 . . . . . . . . . . . 4918 1 32 3JHNHA . 1 1 49 49 ASP H H 1 . . 1 1 49 49 ASP HA H 1 . 5.3 . . 0.1 . . . . . . . . . . . 4918 1 33 3JHNHA . 1 1 50 50 THR H H 1 . . 1 1 50 50 THR HA H 1 . 7.9 . . 0.1 . . . . . . . . . . . 4918 1 34 3JHNHA . 1 1 51 51 ASP H H 1 . . 1 1 51 51 ASP HA H 1 . 8.3 . . 0.1 . . . . . . . . . . . 4918 1 35 3JHNHA . 1 1 52 52 ILE H H 1 . . 1 1 52 52 ILE HA H 1 . 9.3 . . 0.1 . . . . . . . . . . . 4918 1 36 3JHNHA . 1 1 53 53 ASN H H 1 . . 1 1 53 53 ASN HA H 1 . 9.3 . . 0.1 . . . . . . . . . . . 4918 1 37 3JHNHA . 1 1 55 55 LYS H H 1 . . 1 1 55 55 LYS HA H 1 . 5.8 . . 0.1 . . . . . . . . . . . 4918 1 38 3JHNHA . 1 1 56 56 TYR H H 1 . . 1 1 56 56 TYR HA H 1 . 9.4 . . 0.1 . . . . . . . . . . . 4918 1 39 3JHNHA . 1 1 57 57 VAL H H 1 . . 1 1 57 57 VAL HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4918 1 40 3JHNHA . 1 1 58 58 ALA H H 1 . . 1 1 58 58 ALA HA H 1 . 7.2 . . 0.1 . . . . . . . . . . . 4918 1 41 3JHNHA . 1 1 59 59 LYS H H 1 . . 1 1 59 59 LYS HA H 1 . 5.7 . . 0.1 . . . . . . . . . . . 4918 1 42 3JHNHA . 1 1 60 60 VAL H H 1 . . 1 1 60 60 VAL HA H 1 . 7.8 . . 0.1 . . . . . . . . . . . 4918 1 43 3JHNHA . 1 1 61 61 THR H H 1 . . 1 1 61 61 THR HA H 1 . 8.3 . . 0.1 . . . . . . . . . . . 4918 1 44 3JHNHA . 1 1 62 62 THR H H 1 . . 1 1 62 62 THR HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 4918 1 45 3JHNHA . 1 1 65 65 THR H H 1 . . 1 1 65 65 THR HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 4918 1 46 3JHNHA . 1 1 66 66 ALA H H 1 . . 1 1 66 66 ALA HA H 1 . 4.1 . . 0.1 . . . . . . . . . . . 4918 1 47 3JHNHA . 1 1 67 67 ALA H H 1 . . 1 1 67 67 ALA HA H 1 . 8.4 . . 0.1 . . . . . . . . . . . 4918 1 48 3JHNHA . 1 1 69 69 SER H H 1 . . 1 1 69 69 SER HA H 1 . 6.8 . . 0.1 . . . . . . . . . . . 4918 1 49 3JHNHA . 1 1 72 72 CYS H H 1 . . 1 1 72 72 CYS HA H 1 . 5.4 . . 0.1 . . . . . . . . . . . 4918 1 50 3JHNHA . 1 1 73 73 THR H H 1 . . 1 1 73 73 THR HA H 1 . 9.2 . . 0.1 . . . . . . . . . . . 4918 1 51 3JHNHA . 1 1 74 74 ILE H H 1 . . 1 1 74 74 ILE HA H 1 . 9.1 . . 0.1 . . . . . . . . . . . 4918 1 52 3JHNHA . 1 1 75 75 VAL H H 1 . . 1 1 75 75 VAL HA H 1 . 9.2 . . 0.1 . . . . . . . . . . . 4918 1 53 3JHNHA . 1 1 76 76 ALA H H 1 . . 1 1 76 76 ALA HA H 1 . 8.3 . . 0.1 . . . . . . . . . . . 4918 1 54 3JHNHA . 1 1 77 77 THR H H 1 . . 1 1 77 77 THR HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 4918 1 55 3JHNHA . 1 1 78 78 MET H H 1 . . 1 1 78 78 MET HA H 1 . 5.3 . . 0.1 . . . . . . . . . . . 4918 1 56 3JHNHA . 1 1 80 80 ALA H H 1 . . 1 1 80 80 ALA HA H 1 . 7.2 . . 0.1 . . . . . . . . . . . 4918 1 57 3JHNHA . 1 1 81 81 SER H H 1 . . 1 1 81 81 SER HA H 1 . 7.2 . . 0.1 . . . . . . . . . . . 4918 1 58 3JHNHA . 1 1 82 82 ASP H H 1 . . 1 1 82 82 ASP HA H 1 . 6.7 . . 0.1 . . . . . . . . . . . 4918 1 59 3JHNHA . 1 1 91 91 THR H H 1 . . 1 1 91 91 THR HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 4918 1 60 3JHNHA . 1 1 92 92 LEU H H 1 . . 1 1 92 92 LEU HA H 1 . 8.0 . . 0.1 . . . . . . . . . . . 4918 1 61 3JHNHA . 1 1 93 93 THR H H 1 . . 1 1 93 93 THR HA H 1 . 8.8 . . 0.1 . . . . . . . . . . . 4918 1 62 3JHNHA . 1 1 94 94 LEU H H 1 . . 1 1 94 94 LEU HA H 1 . 9.1 . . 0.1 . . . . . . . . . . . 4918 1 63 3JHNHA . 1 1 95 95 THR H H 1 . . 1 1 95 95 THR HA H 1 . 9.5 . . 0.1 . . . . . . . . . . . 4918 1 64 3JHNHA . 1 1 96 96 LEU H H 1 . . 1 1 96 96 LEU HA H 1 . 5.0 . . 0.1 . . . . . . . . . . . 4918 1 65 3JHNHA . 1 1 98 98 ASN H H 1 . . 1 1 98 98 ASN HA H 1 . 7.0 . . 0.1 . . . . . . . . . . . 4918 1 66 3JHNHA . 1 1 99 99 ALA H H 1 . . 1 1 99 99 ALA HA H 1 . 4.1 . . 0.1 . . . . . . . . . . . 4918 1 67 3JHNHA . 1 1 100 100 ASP H H 1 . . 1 1 100 100 ASP HA H 1 . 7.4 . . 0.1 . . . . . . . . . . . 4918 1 68 3JHNHA . 1 1 101 101 LYS H H 1 . . 1 1 101 101 LYS HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 4918 1 69 3JHNHA . 1 1 103 103 SER H H 1 . . 1 1 103 103 SER HA H 1 . 7.2 . . 0.1 . . . . . . . . . . . 4918 1 70 3JHNHA . 1 1 104 104 TYR H H 1 . . 1 1 104 104 TYR HA H 1 . 4.6 . . 0.1 . . . . . . . . . . . 4918 1 71 3JHNHA . 1 1 105 105 THR H H 1 . . 1 1 105 105 THR HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 4918 1 72 3JHNHA . 1 1 106 106 TRP H H 1 . . 1 1 106 106 TRP HA H 1 . 9.4 . . 0.1 . . . . . . . . . . . 4918 1 73 3JHNHA . 1 1 107 107 ALA H H 1 . . 1 1 107 107 ALA HA H 1 . 8.0 . . 0.1 . . . . . . . . . . . 4918 1 74 3JHNHA . 1 1 108 108 CYS H H 1 . . 1 1 108 108 CYS HA H 1 . 8.4 . . 0.1 . . . . . . . . . . . 4918 1 75 3JHNHA . 1 1 109 109 THR H H 1 . . 1 1 109 109 THR HA H 1 . 7.6 . . 0.1 . . . . . . . . . . . 4918 1 76 3JHNHA . 1 1 110 110 SER H H 1 . . 1 1 110 110 SER HA H 1 . 6.7 . . 0.1 . . . . . . . . . . . 4918 1 77 3JHNHA . 1 1 111 111 ASN H H 1 . . 1 1 111 111 ASN HA H 1 . 9.1 . . 0.1 . . . . . . . . . . . 4918 1 78 3JHNHA . 1 1 112 112 ALA H H 1 . . 1 1 112 112 ALA HA H 1 . 7.0 . . 0.1 . . . . . . . . . . . 4918 1 79 3JHNHA . 1 1 115 115 LYS H H 1 . . 1 1 115 115 LYS HA H 1 . 4.7 . . 0.1 . . . . . . . . . . . 4918 1 80 3JHNHA . 1 1 116 116 TYR H H 1 . . 1 1 116 116 TYR HA H 1 . 8.2 . . 0.1 . . . . . . . . . . . 4918 1 stop_ save_