data_1766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1766 _Entry.Title ; Two and Three-Dimensional Proton NMR Studies of Apo-Neocarzinostatin ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Xiaolian Gao . . . 1766 2 William Buckhart . . . 1766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 690 1766 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 5 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1766 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1766 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1766 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1766 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1766 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1766 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Gao, Xiaolian, Buckhart, William, "Two and Three-Dimensional Proton NMR Studies of Apo-Neocarzinostatin," Biochemistry 30 (31), 7730-7739 (1991). ; _Citation.Title 'Two and Three-Dimensional Proton NMR Studies of Apo-Neocarzinostatin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 31 _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 7730 _Citation.Page_last 7739 _Citation.Year 1991 _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 Xiaolian Gao . . . 1766 1 2 William Buckhart . . . 1766 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_neocarzinostatin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_neocarzinostatin _Assembly.Entry_ID 1766 _Assembly.ID 1 _Assembly.Name neocarzinostatin _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 neocarzinostatin 1 $neocarzinostatin . . . . . . . . . 1766 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID neocarzinostatin system 1766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_neocarzinostatin _Entity.Sf_category entity _Entity.Sf_framecode neocarzinostatin _Entity.Entry_ID 1766 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name neocarzinostatin _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 ; AAPTATVTPSSGLSDGTVVK VAGAGLQAGTAYDVGQCAWV DTGVLACNPADFSSVTADAN GSASTSLTVRRSFEGFLFDG TRWGTVDCTTAACQVGLSDA AGNGPEGVAISFN ; _Entity.Polymer_seq_one_letter_code ; AAPTATVTPSSGLSDGTVVK VAGAGLQAGTAYDVGQCAWV DTGVLACNPADFSSVTADAN GSASTSLTVRRSFEGFLFDG TRWGTVDCTTAACQVGLSDA AGNGPEGVAISFN ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1J5H . "Solution Structure Of Apo-Neocarzinostatin" . . . . . 100.00 122 100.00 100.00 8.23e-72 . . . . 1766 1 2 no PDB 1J5I . "Solution Structure Of A Novel Chromoprotein Derived From Apo-Neocarzinostatin And A Synthetic Chromophore" . . . . . 100.00 122 100.00 100.00 8.23e-72 . . . . 1766 1 3 no PDB 1NCO . "Structure Of The Antitumor Protein-Chromophore Complex Neocarzinostatin" . . . . . 100.00 113 100.00 100.00 3.47e-71 . . . . 1766 1 4 no PDB 1NOA . "Crystal Structure Of Apo-Neocarzinostatin At 0.15 Nm Resolution" . . . . . 100.00 113 100.00 100.00 3.47e-71 . . . . 1766 1 5 no PDB 1O5P . "Solution Structure Of Holo-Neocarzinostatin" . . . . . 100.00 113 100.00 100.00 3.47e-71 . . . . 1766 1 6 no PDB 2G0K . "Solution Structure Of Neocarzinostatin Apo-Protein" . . . . . 100.00 122 100.00 100.00 8.23e-72 . . . . 1766 1 7 no PDB 2G0L . "Solution Structure Of Neocarzinostatin Apo-Protein With Bound Flavone" . . . . . 100.00 122 100.00 100.00 8.23e-72 . . . . 1766 1 8 no DBJ BAA01764 . "neocarzinostatin preapoprotein [Streptomyces carzinostaticus]" . . . . . 100.00 147 100.00 100.00 1.24e-71 . . . . 1766 1 9 no DBJ BAB83894 . "neocarzinostatin apoprotein [synthetic construct]" . . . . . 100.00 150 100.00 100.00 5.92e-71 . . . . 1766 1 10 no DBJ BAB83895 . "his-tagged neocarzinostatin apoprotein [synthetic construct]" . . . . . 100.00 149 100.00 100.00 1.29e-71 . . . . 1766 1 11 no DBJ BAB86365 . "his-tagged neocarzinostatin apoprotein mutant F76W [synthetic construct]" . . . . . 100.00 149 99.12 100.00 1.09e-70 . . . . 1766 1 12 no DBJ BAB86366 . "his-tagged neocarzinostatin apoprotein mutant F78W [synthetic construct]" . . . . . 100.00 149 99.12 100.00 1.09e-70 . . . . 1766 1 13 no GB AAB28103 . "neocarzinostatin apoprotein [Streptomyces carzinostaticus]" . . . . . 100.00 147 100.00 100.00 1.24e-71 . . . . 1766 1 14 no GB AAM77994 . "neocarzinostatin apoprotein [Streptomyces carzinostaticus subsp. neocarzinostaticus]" . . . . . 100.00 147 100.00 100.00 1.24e-71 . . . . 1766 1 15 no SP P0A3R9 . "RecName: Full=Neocarzinostatin; Short=NCS; AltName: Full=Mitomalcin; Short=MMC; Flags: Precursor" . . . . . 100.00 147 100.00 100.00 1.24e-71 . . . . 1766 1 16 no SP P0A3S0 . "RecName: Full=Neocarzinostatin; Short=NCS; AltName: Full=Mitomalcin; Short=MMC" . . . . . 100.00 113 100.00 100.00 3.47e-71 . . . . 1766 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'apo form' variant 1766 1 neocarzinostatin common 1766 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 . ALA . 1766 1 2 . ALA . 1766 1 3 . PRO . 1766 1 4 . THR . 1766 1 5 . ALA . 1766 1 6 . THR . 1766 1 7 . VAL . 1766 1 8 . THR . 1766 1 9 . PRO . 1766 1 10 . SER . 1766 1 11 . SER . 1766 1 12 . GLY . 1766 1 13 . LEU . 1766 1 14 . SER . 1766 1 15 . ASP . 1766 1 16 . GLY . 1766 1 17 . THR . 1766 1 18 . VAL . 1766 1 19 . VAL . 1766 1 20 . LYS . 1766 1 21 . VAL . 1766 1 22 . ALA . 1766 1 23 . GLY . 1766 1 24 . ALA . 1766 1 25 . GLY . 1766 1 26 . LEU . 1766 1 27 . GLN . 1766 1 28 . ALA . 1766 1 29 . GLY . 1766 1 30 . THR . 1766 1 31 . ALA . 1766 1 32 . TYR . 1766 1 33 . ASP . 1766 1 34 . VAL . 1766 1 35 . GLY . 1766 1 36 . GLN . 1766 1 37 . CYS . 1766 1 38 . ALA . 1766 1 39 . TRP . 1766 1 40 . VAL . 1766 1 41 . ASP . 1766 1 42 . THR . 1766 1 43 . GLY . 1766 1 44 . VAL . 1766 1 45 . LEU . 1766 1 46 . ALA . 1766 1 47 . CYS . 1766 1 48 . ASN . 1766 1 49 . PRO . 1766 1 50 . ALA . 1766 1 51 . ASP . 1766 1 52 . PHE . 1766 1 53 . SER . 1766 1 54 . SER . 1766 1 55 . VAL . 1766 1 56 . THR . 1766 1 57 . ALA . 1766 1 58 . ASP . 1766 1 59 . ALA . 1766 1 60 . ASN . 1766 1 61 . GLY . 1766 1 62 . SER . 1766 1 63 . ALA . 1766 1 64 . SER . 1766 1 65 . THR . 1766 1 66 . SER . 1766 1 67 . LEU . 1766 1 68 . THR . 1766 1 69 . VAL . 1766 1 70 . ARG . 1766 1 71 . ARG . 1766 1 72 . SER . 1766 1 73 . PHE . 1766 1 74 . GLU . 1766 1 75 . GLY . 1766 1 76 . PHE . 1766 1 77 . LEU . 1766 1 78 . PHE . 1766 1 79 . ASP . 1766 1 80 . GLY . 1766 1 81 . THR . 1766 1 82 . ARG . 1766 1 83 . TRP . 1766 1 84 . GLY . 1766 1 85 . THR . 1766 1 86 . VAL . 1766 1 87 . ASP . 1766 1 88 . CYS . 1766 1 89 . THR . 1766 1 90 . THR . 1766 1 91 . ALA . 1766 1 92 . ALA . 1766 1 93 . CYS . 1766 1 94 . GLN . 1766 1 95 . VAL . 1766 1 96 . GLY . 1766 1 97 . LEU . 1766 1 98 . SER . 1766 1 99 . ASP . 1766 1 100 . ALA . 1766 1 101 . ALA . 1766 1 102 . GLY . 1766 1 103 . ASN . 1766 1 104 . GLY . 1766 1 105 . PRO . 1766 1 106 . GLU . 1766 1 107 . GLY . 1766 1 108 . VAL . 1766 1 109 . ALA . 1766 1 110 . ILE . 1766 1 111 . SER . 1766 1 112 . PHE . 1766 1 113 . ASN . 1766 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 1766 1 . ALA 2 2 1766 1 . PRO 3 3 1766 1 . THR 4 4 1766 1 . ALA 5 5 1766 1 . THR 6 6 1766 1 . VAL 7 7 1766 1 . THR 8 8 1766 1 . PRO 9 9 1766 1 . SER 10 10 1766 1 . SER 11 11 1766 1 . GLY 12 12 1766 1 . LEU 13 13 1766 1 . SER 14 14 1766 1 . ASP 15 15 1766 1 . GLY 16 16 1766 1 . THR 17 17 1766 1 . VAL 18 18 1766 1 . VAL 19 19 1766 1 . LYS 20 20 1766 1 . VAL 21 21 1766 1 . ALA 22 22 1766 1 . GLY 23 23 1766 1 . ALA 24 24 1766 1 . GLY 25 25 1766 1 . LEU 26 26 1766 1 . GLN 27 27 1766 1 . ALA 28 28 1766 1 . GLY 29 29 1766 1 . THR 30 30 1766 1 . ALA 31 31 1766 1 . TYR 32 32 1766 1 . ASP 33 33 1766 1 . VAL 34 34 1766 1 . GLY 35 35 1766 1 . GLN 36 36 1766 1 . CYS 37 37 1766 1 . ALA 38 38 1766 1 . TRP 39 39 1766 1 . VAL 40 40 1766 1 . ASP 41 41 1766 1 . THR 42 42 1766 1 . GLY 43 43 1766 1 . VAL 44 44 1766 1 . LEU 45 45 1766 1 . ALA 46 46 1766 1 . CYS 47 47 1766 1 . ASN 48 48 1766 1 . PRO 49 49 1766 1 . ALA 50 50 1766 1 . ASP 51 51 1766 1 . PHE 52 52 1766 1 . SER 53 53 1766 1 . SER 54 54 1766 1 . VAL 55 55 1766 1 . THR 56 56 1766 1 . ALA 57 57 1766 1 . ASP 58 58 1766 1 . ALA 59 59 1766 1 . ASN 60 60 1766 1 . GLY 61 61 1766 1 . SER 62 62 1766 1 . ALA 63 63 1766 1 . SER 64 64 1766 1 . THR 65 65 1766 1 . SER 66 66 1766 1 . LEU 67 67 1766 1 . THR 68 68 1766 1 . VAL 69 69 1766 1 . ARG 70 70 1766 1 . ARG 71 71 1766 1 . SER 72 72 1766 1 . PHE 73 73 1766 1 . GLU 74 74 1766 1 . GLY 75 75 1766 1 . PHE 76 76 1766 1 . LEU 77 77 1766 1 . PHE 78 78 1766 1 . ASP 79 79 1766 1 . GLY 80 80 1766 1 . THR 81 81 1766 1 . ARG 82 82 1766 1 . TRP 83 83 1766 1 . GLY 84 84 1766 1 . THR 85 85 1766 1 . VAL 86 86 1766 1 . ASP 87 87 1766 1 . CYS 88 88 1766 1 . THR 89 89 1766 1 . THR 90 90 1766 1 . ALA 91 91 1766 1 . ALA 92 92 1766 1 . CYS 93 93 1766 1 . GLN 94 94 1766 1 . VAL 95 95 1766 1 . GLY 96 96 1766 1 . LEU 97 97 1766 1 . SER 98 98 1766 1 . ASP 99 99 1766 1 . ALA 100 100 1766 1 . ALA 101 101 1766 1 . GLY 102 102 1766 1 . ASN 103 103 1766 1 . GLY 104 104 1766 1 . PRO 105 105 1766 1 . GLU 106 106 1766 1 . GLY 107 107 1766 1 . VAL 108 108 1766 1 . ALA 109 109 1766 1 . ILE 110 110 1766 1 . SER 111 111 1766 1 . PHE 112 112 1766 1 . ASN 113 113 1766 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 1766 _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 $neocarzinostatin . 1897 organism . 'Streptomyces carzinostaticus' . . . Bacteria . Streptomyces carzinostaticus generic . . . . . . . . . . . . . . . . . . . . 1766 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 1766 _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 $neocarzinostatin . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1766 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1766 _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 4.9 . na 1766 1 temperature 303 . K 1766 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1766 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1766 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 1766 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1766 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1766 _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 . water . . . . . . 4.65 . . . . . . 1 $entry_citation . . 1 $entry_citation 1766 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 1766 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 1 1 ALA HA H 1 4.01 . . 1 . . . . . . . . 1766 1 2 . 1 1 1 1 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 1766 1 3 . 1 1 1 1 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 1766 1 4 . 1 1 1 1 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 1766 1 5 . 1 1 2 2 ALA H H 1 8.39 . . 1 . . . . . . . . 1766 1 6 . 1 1 2 2 ALA HA H 1 4.61 . . 1 . . . . . . . . 1766 1 7 . 1 1 2 2 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 1766 1 8 . 1 1 2 2 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 1766 1 9 . 1 1 2 2 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 1766 1 10 . 1 1 3 3 PRO HA H 1 4.91 . . 1 . . . . . . . . 1766 1 11 . 1 1 3 3 PRO HB2 H 1 1.49 . . 2 . . . . . . . . 1766 1 12 . 1 1 3 3 PRO HB3 H 1 2.04 . . 2 . . . . . . . . 1766 1 13 . 1 1 3 3 PRO HG2 H 1 1.84 . . 2 . . . . . . . . 1766 1 14 . 1 1 3 3 PRO HG3 H 1 2.01 . . 2 . . . . . . . . 1766 1 15 . 1 1 3 3 PRO HD2 H 1 3.64 . . 2 . . . . . . . . 1766 1 16 . 1 1 3 3 PRO HD3 H 1 3.72 . . 2 . . . . . . . . 1766 1 17 . 1 1 4 4 THR H H 1 8.73 . . 1 . . . . . . . . 1766 1 18 . 1 1 4 4 THR HA H 1 4.57 . . 1 . . . . . . . . 1766 1 19 . 1 1 4 4 THR HB H 1 4 . . 1 . . . . . . . . 1766 1 20 . 1 1 4 4 THR HG21 H 1 1.08 . . 1 . . . . . . . . 1766 1 21 . 1 1 4 4 THR HG22 H 1 1.08 . . 1 . . . . . . . . 1766 1 22 . 1 1 4 4 THR HG23 H 1 1.08 . . 1 . . . . . . . . 1766 1 23 . 1 1 5 5 ALA H H 1 8.26 . . 1 . . . . . . . . 1766 1 24 . 1 1 5 5 ALA HA H 1 5.39 . . 1 . . . . . . . . 1766 1 25 . 1 1 5 5 ALA HB1 H 1 1.12 . . 1 . . . . . . . . 1766 1 26 . 1 1 5 5 ALA HB2 H 1 1.12 . . 1 . . . . . . . . 1766 1 27 . 1 1 5 5 ALA HB3 H 1 1.12 . . 1 . . . . . . . . 1766 1 28 . 1 1 6 6 THR H H 1 8.8 . . 1 . . . . . . . . 1766 1 29 . 1 1 6 6 THR HA H 1 4.5 . . 1 . . . . . . . . 1766 1 30 . 1 1 6 6 THR HB H 1 3.96 . . 1 . . . . . . . . 1766 1 31 . 1 1 6 6 THR HG21 H 1 1.09 . . 1 . . . . . . . . 1766 1 32 . 1 1 6 6 THR HG22 H 1 1.09 . . 1 . . . . . . . . 1766 1 33 . 1 1 6 6 THR HG23 H 1 1.09 . . 1 . . . . . . . . 1766 1 34 . 1 1 7 7 VAL H H 1 8.43 . . 1 . . . . . . . . 1766 1 35 . 1 1 7 7 VAL HA H 1 4.73 . . 1 . . . . . . . . 1766 1 36 . 1 1 7 7 VAL HB H 1 1.63 . . 1 . . . . . . . . 1766 1 37 . 1 1 7 7 VAL HG11 H 1 .66 . . 2 . . . . . . . . 1766 1 38 . 1 1 7 7 VAL HG12 H 1 .66 . . 2 . . . . . . . . 1766 1 39 . 1 1 7 7 VAL HG13 H 1 .66 . . 2 . . . . . . . . 1766 1 40 . 1 1 7 7 VAL HG21 H 1 .72 . . 2 . . . . . . . . 1766 1 41 . 1 1 7 7 VAL HG22 H 1 .72 . . 2 . . . . . . . . 1766 1 42 . 1 1 7 7 VAL HG23 H 1 .72 . . 2 . . . . . . . . 1766 1 43 . 1 1 8 8 THR H H 1 8.7 . . 1 . . . . . . . . 1766 1 44 . 1 1 8 8 THR HA H 1 4.67 . . 1 . . . . . . . . 1766 1 45 . 1 1 8 8 THR HB H 1 3.88 . . 1 . . . . . . . . 1766 1 46 . 1 1 8 8 THR HG21 H 1 1.15 . . 1 . . . . . . . . 1766 1 47 . 1 1 8 8 THR HG22 H 1 1.15 . . 1 . . . . . . . . 1766 1 48 . 1 1 8 8 THR HG23 H 1 1.15 . . 1 . . . . . . . . 1766 1 49 . 1 1 9 9 PRO HA H 1 4.95 . . 1 . . . . . . . . 1766 1 50 . 1 1 9 9 PRO HB2 H 1 2.2 . . 2 . . . . . . . . 1766 1 51 . 1 1 9 9 PRO HB3 H 1 2.52 . . 2 . . . . . . . . 1766 1 52 . 1 1 9 9 PRO HG2 H 1 1.7 . . 2 . . . . . . . . 1766 1 53 . 1 1 9 9 PRO HG3 H 1 1.95 . . 2 . . . . . . . . 1766 1 54 . 1 1 9 9 PRO HD2 H 1 3.5 . . 2 . . . . . . . . 1766 1 55 . 1 1 9 9 PRO HD3 H 1 3.7 . . 2 . . . . . . . . 1766 1 56 . 1 1 10 10 SER H H 1 8.33 . . 1 . . . . . . . . 1766 1 57 . 1 1 10 10 SER HA H 1 4.53 . . 1 . . . . . . . . 1766 1 58 . 1 1 10 10 SER HB2 H 1 4.25 . . 2 . . . . . . . . 1766 1 59 . 1 1 10 10 SER HB3 H 1 3.67 . . 2 . . . . . . . . 1766 1 60 . 1 1 11 11 SER H H 1 7.55 . . 1 . . . . . . . . 1766 1 61 . 1 1 11 11 SER HA H 1 5.15 . . 1 . . . . . . . . 1766 1 62 . 1 1 11 11 SER HB2 H 1 3.7 . . 1 . . . . . . . . 1766 1 63 . 1 1 11 11 SER HB3 H 1 3.7 . . 1 . . . . . . . . 1766 1 64 . 1 1 12 12 GLY H H 1 8.22 . . 1 . . . . . . . . 1766 1 65 . 1 1 12 12 GLY HA2 H 1 3.6 . . 2 . . . . . . . . 1766 1 66 . 1 1 12 12 GLY HA3 H 1 3.75 . . 2 . . . . . . . . 1766 1 67 . 1 1 13 13 LEU H H 1 7.72 . . 1 . . . . . . . . 1766 1 68 . 1 1 13 13 LEU HA H 1 3.87 . . 1 . . . . . . . . 1766 1 69 . 1 1 13 13 LEU HB2 H 1 .58 . . 2 . . . . . . . . 1766 1 70 . 1 1 13 13 LEU HB3 H 1 .62 . . 2 . . . . . . . . 1766 1 71 . 1 1 13 13 LEU HG H 1 1.06 . . 1 . . . . . . . . 1766 1 72 . 1 1 13 13 LEU HD11 H 1 .17 . . 2 . . . . . . . . 1766 1 73 . 1 1 13 13 LEU HD12 H 1 .17 . . 2 . . . . . . . . 1766 1 74 . 1 1 13 13 LEU HD13 H 1 .17 . . 2 . . . . . . . . 1766 1 75 . 1 1 13 13 LEU HD21 H 1 .41 . . 2 . . . . . . . . 1766 1 76 . 1 1 13 13 LEU HD22 H 1 .41 . . 2 . . . . . . . . 1766 1 77 . 1 1 13 13 LEU HD23 H 1 .41 . . 2 . . . . . . . . 1766 1 78 . 1 1 14 14 SER H H 1 7.49 . . 1 . . . . . . . . 1766 1 79 . 1 1 14 14 SER HA H 1 4.98 . . 1 . . . . . . . . 1766 1 80 . 1 1 14 14 SER HB2 H 1 3.88 . . 2 . . . . . . . . 1766 1 81 . 1 1 14 14 SER HB3 H 1 3.69 . . 2 . . . . . . . . 1766 1 82 . 1 1 15 15 ASP H H 1 8.95 . . 1 . . . . . . . . 1766 1 83 . 1 1 15 15 ASP HA H 1 4.35 . . 1 . . . . . . . . 1766 1 84 . 1 1 15 15 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 1766 1 85 . 1 1 15 15 ASP HB3 H 1 2.54 . . 2 . . . . . . . . 1766 1 86 . 1 1 16 16 GLY H H 1 8.7 . . 1 . . . . . . . . 1766 1 87 . 1 1 16 16 GLY HA2 H 1 3.51 . . 2 . . . . . . . . 1766 1 88 . 1 1 16 16 GLY HA3 H 1 4.19 . . 2 . . . . . . . . 1766 1 89 . 1 1 17 17 THR H H 1 7.53 . . 1 . . . . . . . . 1766 1 90 . 1 1 17 17 THR HA H 1 4.01 . . 1 . . . . . . . . 1766 1 91 . 1 1 17 17 THR HB H 1 3.84 . . 1 . . . . . . . . 1766 1 92 . 1 1 17 17 THR HG21 H 1 1.15 . . 1 . . . . . . . . 1766 1 93 . 1 1 17 17 THR HG22 H 1 1.15 . . 1 . . . . . . . . 1766 1 94 . 1 1 17 17 THR HG23 H 1 1.15 . . 1 . . . . . . . . 1766 1 95 . 1 1 18 18 VAL H H 1 8.15 . . 1 . . . . . . . . 1766 1 96 . 1 1 18 18 VAL HA H 1 4.63 . . 1 . . . . . . . . 1766 1 97 . 1 1 18 18 VAL HB H 1 1.89 . . 1 . . . . . . . . 1766 1 98 . 1 1 18 18 VAL HG11 H 1 .81 . . 2 . . . . . . . . 1766 1 99 . 1 1 18 18 VAL HG12 H 1 .81 . . 2 . . . . . . . . 1766 1 100 . 1 1 18 18 VAL HG13 H 1 .81 . . 2 . . . . . . . . 1766 1 101 . 1 1 18 18 VAL HG21 H 1 .98 . . 2 . . . . . . . . 1766 1 102 . 1 1 18 18 VAL HG22 H 1 .98 . . 2 . . . . . . . . 1766 1 103 . 1 1 18 18 VAL HG23 H 1 .98 . . 2 . . . . . . . . 1766 1 104 . 1 1 19 19 VAL H H 1 9.13 . . 1 . . . . . . . . 1766 1 105 . 1 1 19 19 VAL HA H 1 4.74 . . 1 . . . . . . . . 1766 1 106 . 1 1 19 19 VAL HB H 1 1.99 . . 1 . . . . . . . . 1766 1 107 . 1 1 19 19 VAL HG11 H 1 .69 . . 1 . . . . . . . . 1766 1 108 . 1 1 19 19 VAL HG12 H 1 .69 . . 1 . . . . . . . . 1766 1 109 . 1 1 19 19 VAL HG13 H 1 .69 . . 1 . . . . . . . . 1766 1 110 . 1 1 19 19 VAL HG21 H 1 .69 . . 1 . . . . . . . . 1766 1 111 . 1 1 19 19 VAL HG22 H 1 .69 . . 1 . . . . . . . . 1766 1 112 . 1 1 19 19 VAL HG23 H 1 .69 . . 1 . . . . . . . . 1766 1 113 . 1 1 20 20 LYS H H 1 8.44 . . 1 . . . . . . . . 1766 1 114 . 1 1 20 20 LYS HA H 1 4.69 . . 1 . . . . . . . . 1766 1 115 . 1 1 20 20 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 1766 1 116 . 1 1 20 20 LYS HB3 H 1 1.8 . . 2 . . . . . . . . 1766 1 117 . 1 1 20 20 LYS HG2 H 1 1.25 . . 2 . . . . . . . . 1766 1 118 . 1 1 20 20 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 1766 1 119 . 1 1 20 20 LYS HD2 H 1 1.57 . . 1 . . . . . . . . 1766 1 120 . 1 1 20 20 LYS HD3 H 1 1.57 . . 1 . . . . . . . . 1766 1 121 . 1 1 20 20 LYS HE2 H 1 2.84 . . 1 . . . . . . . . 1766 1 122 . 1 1 20 20 LYS HE3 H 1 2.84 . . 1 . . . . . . . . 1766 1 123 . 1 1 20 20 LYS HZ1 H 1 7.36 . . 1 . . . . . . . . 1766 1 124 . 1 1 20 20 LYS HZ2 H 1 7.36 . . 1 . . . . . . . . 1766 1 125 . 1 1 20 20 LYS HZ3 H 1 7.36 . . 1 . . . . . . . . 1766 1 126 . 1 1 21 21 VAL H H 1 8.8 . . 1 . . . . . . . . 1766 1 127 . 1 1 21 21 VAL HA H 1 4.74 . . 1 . . . . . . . . 1766 1 128 . 1 1 21 21 VAL HB H 1 1.61 . . 1 . . . . . . . . 1766 1 129 . 1 1 21 21 VAL HG11 H 1 .6 . . 2 . . . . . . . . 1766 1 130 . 1 1 21 21 VAL HG12 H 1 .6 . . 2 . . . . . . . . 1766 1 131 . 1 1 21 21 VAL HG13 H 1 .6 . . 2 . . . . . . . . 1766 1 132 . 1 1 21 21 VAL HG21 H 1 .68 . . 2 . . . . . . . . 1766 1 133 . 1 1 21 21 VAL HG22 H 1 .68 . . 2 . . . . . . . . 1766 1 134 . 1 1 21 21 VAL HG23 H 1 .68 . . 2 . . . . . . . . 1766 1 135 . 1 1 22 22 ALA H H 1 8.75 . . 1 . . . . . . . . 1766 1 136 . 1 1 22 22 ALA HA H 1 5.18 . . 1 . . . . . . . . 1766 1 137 . 1 1 22 22 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 1766 1 138 . 1 1 22 22 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 1766 1 139 . 1 1 22 22 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 1766 1 140 . 1 1 23 23 GLY H H 1 8.92 . . 1 . . . . . . . . 1766 1 141 . 1 1 23 23 GLY HA2 H 1 3.09 . . 2 . . . . . . . . 1766 1 142 . 1 1 23 23 GLY HA3 H 1 5.19 . . 2 . . . . . . . . 1766 1 143 . 1 1 24 24 ALA H H 1 8.64 . . 1 . . . . . . . . 1766 1 144 . 1 1 24 24 ALA HA H 1 4.86 . . 1 . . . . . . . . 1766 1 145 . 1 1 24 24 ALA HB1 H 1 1.21 . . 1 . . . . . . . . 1766 1 146 . 1 1 24 24 ALA HB2 H 1 1.21 . . 1 . . . . . . . . 1766 1 147 . 1 1 24 24 ALA HB3 H 1 1.21 . . 1 . . . . . . . . 1766 1 148 . 1 1 25 25 GLY H H 1 8.71 . . 1 . . . . . . . . 1766 1 149 . 1 1 25 25 GLY HA2 H 1 3.74 . . 1 . . . . . . . . 1766 1 150 . 1 1 25 25 GLY HA3 H 1 3.74 . . 1 . . . . . . . . 1766 1 151 . 1 1 26 26 LEU H H 1 8.77 . . 1 . . . . . . . . 1766 1 152 . 1 1 26 26 LEU HA H 1 4 . . 1 . . . . . . . . 1766 1 153 . 1 1 26 26 LEU HB2 H 1 1.08 . . 2 . . . . . . . . 1766 1 154 . 1 1 26 26 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 1766 1 155 . 1 1 26 26 LEU HG H 1 1.2 . . 1 . . . . . . . . 1766 1 156 . 1 1 26 26 LEU HD11 H 1 0 . . 2 . . . . . . . . 1766 1 157 . 1 1 26 26 LEU HD12 H 1 0 . . 2 . . . . . . . . 1766 1 158 . 1 1 26 26 LEU HD13 H 1 0 . . 2 . . . . . . . . 1766 1 159 . 1 1 26 26 LEU HD21 H 1 .08 . . 2 . . . . . . . . 1766 1 160 . 1 1 26 26 LEU HD22 H 1 .08 . . 2 . . . . . . . . 1766 1 161 . 1 1 26 26 LEU HD23 H 1 .08 . . 2 . . . . . . . . 1766 1 162 . 1 1 27 27 GLN H H 1 7.94 . . 1 . . . . . . . . 1766 1 163 . 1 1 27 27 GLN HA H 1 4.17 . . 1 . . . . . . . . 1766 1 164 . 1 1 27 27 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 1766 1 165 . 1 1 27 27 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 1766 1 166 . 1 1 27 27 GLN HG2 H 1 2.28 . . 1 . . . . . . . . 1766 1 167 . 1 1 27 27 GLN HG3 H 1 2.28 . . 1 . . . . . . . . 1766 1 168 . 1 1 27 27 GLN HE21 H 1 6.76 . . 2 . . . . . . . . 1766 1 169 . 1 1 27 27 GLN HE22 H 1 7.47 . . 2 . . . . . . . . 1766 1 170 . 1 1 28 28 ALA H H 1 8.37 . . 1 . . . . . . . . 1766 1 171 . 1 1 28 28 ALA HA H 1 3.93 . . 1 . . . . . . . . 1766 1 172 . 1 1 28 28 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 1766 1 173 . 1 1 28 28 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 1766 1 174 . 1 1 28 28 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 1766 1 175 . 1 1 29 29 GLY H H 1 7.79 . . 1 . . . . . . . . 1766 1 176 . 1 1 29 29 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 1766 1 177 . 1 1 29 29 GLY HA3 H 1 4.08 . . 2 . . . . . . . . 1766 1 178 . 1 1 30 30 THR H H 1 7.82 . . 1 . . . . . . . . 1766 1 179 . 1 1 30 30 THR HA H 1 4.19 . . 1 . . . . . . . . 1766 1 180 . 1 1 30 30 THR HB H 1 4.27 . . 1 . . . . . . . . 1766 1 181 . 1 1 30 30 THR HG21 H 1 .86 . . 1 . . . . . . . . 1766 1 182 . 1 1 30 30 THR HG22 H 1 .86 . . 1 . . . . . . . . 1766 1 183 . 1 1 30 30 THR HG23 H 1 .86 . . 1 . . . . . . . . 1766 1 184 . 1 1 31 31 ALA H H 1 8.28 . . 1 . . . . . . . . 1766 1 185 . 1 1 31 31 ALA HA H 1 4.93 . . 1 . . . . . . . . 1766 1 186 . 1 1 31 31 ALA HB1 H 1 1.21 . . 1 . . . . . . . . 1766 1 187 . 1 1 31 31 ALA HB2 H 1 1.21 . . 1 . . . . . . . . 1766 1 188 . 1 1 31 31 ALA HB3 H 1 1.21 . . 1 . . . . . . . . 1766 1 189 . 1 1 32 32 TYR H H 1 9.18 . . 1 . . . . . . . . 1766 1 190 . 1 1 32 32 TYR HA H 1 4.47 . . 1 . . . . . . . . 1766 1 191 . 1 1 32 32 TYR HB2 H 1 2.38 . . 2 . . . . . . . . 1766 1 192 . 1 1 32 32 TYR HB3 H 1 2.4 . . 2 . . . . . . . . 1766 1 193 . 1 1 32 32 TYR HD1 H 1 6.72 . . 1 . . . . . . . . 1766 1 194 . 1 1 32 32 TYR HD2 H 1 6.72 . . 1 . . . . . . . . 1766 1 195 . 1 1 32 32 TYR HE1 H 1 6.66 . . 1 . . . . . . . . 1766 1 196 . 1 1 32 32 TYR HE2 H 1 6.66 . . 1 . . . . . . . . 1766 1 197 . 1 1 32 32 TYR HH H 1 5.99 . . 1 . . . . . . . . 1766 1 198 . 1 1 33 33 ASP H H 1 8.92 . . 1 . . . . . . . . 1766 1 199 . 1 1 33 33 ASP HA H 1 5.04 . . 1 . . . . . . . . 1766 1 200 . 1 1 33 33 ASP HB2 H 1 2.46 . . 2 . . . . . . . . 1766 1 201 . 1 1 33 33 ASP HB3 H 1 2.06 . . 2 . . . . . . . . 1766 1 202 . 1 1 34 34 VAL H H 1 8.7 . . 1 . . . . . . . . 1766 1 203 . 1 1 34 34 VAL HA H 1 4.72 . . 1 . . . . . . . . 1766 1 204 . 1 1 34 34 VAL HB H 1 1.86 . . 1 . . . . . . . . 1766 1 205 . 1 1 34 34 VAL HG11 H 1 .68 . . 1 . . . . . . . . 1766 1 206 . 1 1 34 34 VAL HG12 H 1 .68 . . 1 . . . . . . . . 1766 1 207 . 1 1 34 34 VAL HG13 H 1 .68 . . 1 . . . . . . . . 1766 1 208 . 1 1 34 34 VAL HG21 H 1 .68 . . 1 . . . . . . . . 1766 1 209 . 1 1 34 34 VAL HG22 H 1 .68 . . 1 . . . . . . . . 1766 1 210 . 1 1 34 34 VAL HG23 H 1 .68 . . 1 . . . . . . . . 1766 1 211 . 1 1 35 35 GLY H H 1 7.87 . . 1 . . . . . . . . 1766 1 212 . 1 1 35 35 GLY HA2 H 1 3.25 . . 2 . . . . . . . . 1766 1 213 . 1 1 35 35 GLY HA3 H 1 4.48 . . 2 . . . . . . . . 1766 1 214 . 1 1 36 36 GLN H H 1 9.27 . . 1 . . . . . . . . 1766 1 215 . 1 1 36 36 GLN HA H 1 5.23 . . 1 . . . . . . . . 1766 1 216 . 1 1 36 36 GLN HB2 H 1 1.69 . . 2 . . . . . . . . 1766 1 217 . 1 1 36 36 GLN HB3 H 1 1.89 . . 2 . . . . . . . . 1766 1 218 . 1 1 36 36 GLN HG2 H 1 2.06 . . 2 . . . . . . . . 1766 1 219 . 1 1 36 36 GLN HG3 H 1 2.34 . . 2 . . . . . . . . 1766 1 220 . 1 1 37 37 CYS H H 1 8.79 . . 1 . . . . . . . . 1766 1 221 . 1 1 37 37 CYS HA H 1 5.53 . . 1 . . . . . . . . 1766 1 222 . 1 1 37 37 CYS HB2 H 1 2.54 . . 2 . . . . . . . . 1766 1 223 . 1 1 37 37 CYS HB3 H 1 2.76 . . 2 . . . . . . . . 1766 1 224 . 1 1 38 38 ALA H H 1 9.24 . . 1 . . . . . . . . 1766 1 225 . 1 1 38 38 ALA HA H 1 4.8 . . 1 . . . . . . . . 1766 1 226 . 1 1 38 38 ALA HB1 H 1 1.22 . . 1 . . . . . . . . 1766 1 227 . 1 1 38 38 ALA HB2 H 1 1.22 . . 1 . . . . . . . . 1766 1 228 . 1 1 38 38 ALA HB3 H 1 1.22 . . 1 . . . . . . . . 1766 1 229 . 1 1 39 39 TRP H H 1 8.28 . . 1 . . . . . . . . 1766 1 230 . 1 1 39 39 TRP HA H 1 4.93 . . 1 . . . . . . . . 1766 1 231 . 1 1 39 39 TRP HB2 H 1 3.05 . . 2 . . . . . . . . 1766 1 232 . 1 1 39 39 TRP HB3 H 1 3.11 . . 2 . . . . . . . . 1766 1 233 . 1 1 39 39 TRP HD1 H 1 7.12 . . 1 . . . . . . . . 1766 1 234 . 1 1 39 39 TRP HE1 H 1 9.63 . . 1 . . . . . . . . 1766 1 235 . 1 1 39 39 TRP HE3 H 1 7.33 . . 1 . . . . . . . . 1766 1 236 . 1 1 39 39 TRP HZ2 H 1 7.4 . . 1 . . . . . . . . 1766 1 237 . 1 1 39 39 TRP HZ3 H 1 6.7 . . 1 . . . . . . . . 1766 1 238 . 1 1 39 39 TRP HH2 H 1 7.12 . . 1 . . . . . . . . 1766 1 239 . 1 1 40 40 VAL H H 1 8.18 . . 1 . . . . . . . . 1766 1 240 . 1 1 40 40 VAL HA H 1 4.15 . . 1 . . . . . . . . 1766 1 241 . 1 1 40 40 VAL HB H 1 1.42 . . 1 . . . . . . . . 1766 1 242 . 1 1 40 40 VAL HG11 H 1 .54 . . 2 . . . . . . . . 1766 1 243 . 1 1 40 40 VAL HG12 H 1 .54 . . 2 . . . . . . . . 1766 1 244 . 1 1 40 40 VAL HG13 H 1 .54 . . 2 . . . . . . . . 1766 1 245 . 1 1 40 40 VAL HG21 H 1 .05 . . 2 . . . . . . . . 1766 1 246 . 1 1 40 40 VAL HG22 H 1 .05 . . 2 . . . . . . . . 1766 1 247 . 1 1 40 40 VAL HG23 H 1 .05 . . 2 . . . . . . . . 1766 1 248 . 1 1 41 41 ASP H H 1 8.26 . . 1 . . . . . . . . 1766 1 249 . 1 1 41 41 ASP HA H 1 4.57 . . 1 . . . . . . . . 1766 1 250 . 1 1 41 41 ASP HB2 H 1 2.51 . . 2 . . . . . . . . 1766 1 251 . 1 1 41 41 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 1766 1 252 . 1 1 42 42 THR H H 1 8.74 . . 1 . . . . . . . . 1766 1 253 . 1 1 42 42 THR HA H 1 3.93 . . 1 . . . . . . . . 1766 1 254 . 1 1 42 42 THR HB H 1 4.04 . . 1 . . . . . . . . 1766 1 255 . 1 1 42 42 THR HG21 H 1 1.15 . . 1 . . . . . . . . 1766 1 256 . 1 1 42 42 THR HG22 H 1 1.15 . . 1 . . . . . . . . 1766 1 257 . 1 1 42 42 THR HG23 H 1 1.15 . . 1 . . . . . . . . 1766 1 258 . 1 1 43 43 GLY H H 1 8.75 . . 1 . . . . . . . . 1766 1 259 . 1 1 43 43 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 1766 1 260 . 1 1 43 43 GLY HA3 H 1 4.09 . . 2 . . . . . . . . 1766 1 261 . 1 1 44 44 VAL H H 1 7.96 . . 1 . . . . . . . . 1766 1 262 . 1 1 44 44 VAL HA H 1 4.24 . . 1 . . . . . . . . 1766 1 263 . 1 1 44 44 VAL HB H 1 1.63 . . 1 . . . . . . . . 1766 1 264 . 1 1 44 44 VAL HG11 H 1 .6 . . 2 . . . . . . . . 1766 1 265 . 1 1 44 44 VAL HG12 H 1 .6 . . 2 . . . . . . . . 1766 1 266 . 1 1 44 44 VAL HG13 H 1 .6 . . 2 . . . . . . . . 1766 1 267 . 1 1 44 44 VAL HG21 H 1 .79 . . 2 . . . . . . . . 1766 1 268 . 1 1 44 44 VAL HG22 H 1 .79 . . 2 . . . . . . . . 1766 1 269 . 1 1 44 44 VAL HG23 H 1 .79 . . 2 . . . . . . . . 1766 1 270 . 1 1 45 45 LEU H H 1 7.88 . . 1 . . . . . . . . 1766 1 271 . 1 1 45 45 LEU HA H 1 4.38 . . 1 . . . . . . . . 1766 1 272 . 1 1 45 45 LEU HB2 H 1 .67 . . 2 . . . . . . . . 1766 1 273 . 1 1 45 45 LEU HB3 H 1 1.1 . . 2 . . . . . . . . 1766 1 274 . 1 1 45 45 LEU HG H 1 .67 . . 1 . . . . . . . . 1766 1 275 . 1 1 45 45 LEU HD11 H 1 .26 . . 2 . . . . . . . . 1766 1 276 . 1 1 45 45 LEU HD12 H 1 .26 . . 2 . . . . . . . . 1766 1 277 . 1 1 45 45 LEU HD13 H 1 .26 . . 2 . . . . . . . . 1766 1 278 . 1 1 45 45 LEU HD21 H 1 .15 . . 2 . . . . . . . . 1766 1 279 . 1 1 45 45 LEU HD22 H 1 .15 . . 2 . . . . . . . . 1766 1 280 . 1 1 45 45 LEU HD23 H 1 .15 . . 2 . . . . . . . . 1766 1 281 . 1 1 46 46 ALA H H 1 8.62 . . 1 . . . . . . . . 1766 1 282 . 1 1 46 46 ALA HA H 1 4.8 . . 1 . . . . . . . . 1766 1 283 . 1 1 46 46 ALA HB1 H 1 .83 . . 1 . . . . . . . . 1766 1 284 . 1 1 46 46 ALA HB2 H 1 .83 . . 1 . . . . . . . . 1766 1 285 . 1 1 46 46 ALA HB3 H 1 .83 . . 1 . . . . . . . . 1766 1 286 . 1 1 47 47 CYS H H 1 9.15 . . 1 . . . . . . . . 1766 1 287 . 1 1 47 47 CYS HA H 1 5.53 . . 1 . . . . . . . . 1766 1 288 . 1 1 47 47 CYS HB2 H 1 3.02 . . 2 . . . . . . . . 1766 1 289 . 1 1 47 47 CYS HB3 H 1 3.32 . . 2 . . . . . . . . 1766 1 290 . 1 1 48 48 ASN H H 1 7.67 . . 1 . . . . . . . . 1766 1 291 . 1 1 48 48 ASN HA H 1 5.35 . . 1 . . . . . . . . 1766 1 292 . 1 1 48 48 ASN HB2 H 1 1.18 . . 2 . . . . . . . . 1766 1 293 . 1 1 48 48 ASN HB3 H 1 2.31 . . 2 . . . . . . . . 1766 1 294 . 1 1 49 49 PRO HA H 1 3.91 . . 1 . . . . . . . . 1766 1 295 . 1 1 49 49 PRO HB2 H 1 1.53 . . 1 . . . . . . . . 1766 1 296 . 1 1 49 49 PRO HB3 H 1 1.53 . . 1 . . . . . . . . 1766 1 297 . 1 1 49 49 PRO HG2 H 1 1.46 . . 2 . . . . . . . . 1766 1 298 . 1 1 49 49 PRO HG3 H 1 1.37 . . 2 . . . . . . . . 1766 1 299 . 1 1 49 49 PRO HD2 H 1 4.12 . . 2 . . . . . . . . 1766 1 300 . 1 1 49 49 PRO HD3 H 1 3.74 . . 2 . . . . . . . . 1766 1 301 . 1 1 50 50 ALA H H 1 6.83 . . 1 . . . . . . . . 1766 1 302 . 1 1 50 50 ALA HA H 1 3.9 . . 1 . . . . . . . . 1766 1 303 . 1 1 50 50 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 1766 1 304 . 1 1 50 50 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 1766 1 305 . 1 1 50 50 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 1766 1 306 . 1 1 51 51 ASP H H 1 6.39 . . 1 . . . . . . . . 1766 1 307 . 1 1 51 51 ASP HA H 1 5.05 . . 1 . . . . . . . . 1766 1 308 . 1 1 51 51 ASP HB2 H 1 2.24 . . 2 . . . . . . . . 1766 1 309 . 1 1 51 51 ASP HB3 H 1 3.19 . . 2 . . . . . . . . 1766 1 310 . 1 1 52 52 PHE H H 1 7.1 . . 1 . . . . . . . . 1766 1 311 . 1 1 52 52 PHE HA H 1 5.1 . . 1 . . . . . . . . 1766 1 312 . 1 1 52 52 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 1766 1 313 . 1 1 52 52 PHE HB3 H 1 3.17 . . 2 . . . . . . . . 1766 1 314 . 1 1 52 52 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 1766 1 315 . 1 1 52 52 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 1766 1 316 . 1 1 52 52 PHE HE1 H 1 6.98 . . 1 . . . . . . . . 1766 1 317 . 1 1 52 52 PHE HE2 H 1 6.98 . . 1 . . . . . . . . 1766 1 318 . 1 1 52 52 PHE HZ H 1 6.89 . . 1 . . . . . . . . 1766 1 319 . 1 1 53 53 SER H H 1 8.63 . . 1 . . . . . . . . 1766 1 320 . 1 1 53 53 SER HA H 1 4.85 . . 1 . . . . . . . . 1766 1 321 . 1 1 53 53 SER HB2 H 1 3.83 . . 2 . . . . . . . . 1766 1 322 . 1 1 53 53 SER HB3 H 1 3.67 . . 2 . . . . . . . . 1766 1 323 . 1 1 54 54 SER H H 1 8.45 . . 1 . . . . . . . . 1766 1 324 . 1 1 54 54 SER HA H 1 5.42 . . 1 . . . . . . . . 1766 1 325 . 1 1 54 54 SER HB2 H 1 3.72 . . 1 . . . . . . . . 1766 1 326 . 1 1 54 54 SER HB3 H 1 3.72 . . 1 . . . . . . . . 1766 1 327 . 1 1 55 55 VAL H H 1 9 . . 1 . . . . . . . . 1766 1 328 . 1 1 55 55 VAL HA H 1 4.69 . . 1 . . . . . . . . 1766 1 329 . 1 1 55 55 VAL HB H 1 1.98 . . 1 . . . . . . . . 1766 1 330 . 1 1 55 55 VAL HG11 H 1 .69 . . 2 . . . . . . . . 1766 1 331 . 1 1 55 55 VAL HG12 H 1 .69 . . 2 . . . . . . . . 1766 1 332 . 1 1 55 55 VAL HG13 H 1 .69 . . 2 . . . . . . . . 1766 1 333 . 1 1 55 55 VAL HG21 H 1 .74 . . 2 . . . . . . . . 1766 1 334 . 1 1 55 55 VAL HG22 H 1 .74 . . 2 . . . . . . . . 1766 1 335 . 1 1 55 55 VAL HG23 H 1 .74 . . 2 . . . . . . . . 1766 1 336 . 1 1 56 56 THR H H 1 8.53 . . 1 . . . . . . . . 1766 1 337 . 1 1 56 56 THR HA H 1 4.86 . . 1 . . . . . . . . 1766 1 338 . 1 1 56 56 THR HB H 1 3.81 . . 1 . . . . . . . . 1766 1 339 . 1 1 56 56 THR HG21 H 1 .99 . . 1 . . . . . . . . 1766 1 340 . 1 1 56 56 THR HG22 H 1 .99 . . 1 . . . . . . . . 1766 1 341 . 1 1 56 56 THR HG23 H 1 .99 . . 1 . . . . . . . . 1766 1 342 . 1 1 57 57 ALA H H 1 8.41 . . 1 . . . . . . . . 1766 1 343 . 1 1 57 57 ALA HA H 1 4.19 . . 1 . . . . . . . . 1766 1 344 . 1 1 57 57 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 1766 1 345 . 1 1 57 57 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 1766 1 346 . 1 1 57 57 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 1766 1 347 . 1 1 58 58 ASP H H 1 8.8 . . 1 . . . . . . . . 1766 1 348 . 1 1 58 58 ASP HA H 1 4.49 . . 1 . . . . . . . . 1766 1 349 . 1 1 58 58 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 1766 1 350 . 1 1 58 58 ASP HB3 H 1 3.33 . . 2 . . . . . . . . 1766 1 351 . 1 1 59 59 ALA H H 1 8.14 . . 1 . . . . . . . . 1766 1 352 . 1 1 59 59 ALA HA H 1 4.05 . . 1 . . . . . . . . 1766 1 353 . 1 1 59 59 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 1766 1 354 . 1 1 59 59 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 1766 1 355 . 1 1 59 59 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 1766 1 356 . 1 1 60 60 ASN H H 1 8.14 . . 1 . . . . . . . . 1766 1 357 . 1 1 60 60 ASN HA H 1 4.8 . . 1 . . . . . . . . 1766 1 358 . 1 1 60 60 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 1766 1 359 . 1 1 60 60 ASN HB3 H 1 2.95 . . 2 . . . . . . . . 1766 1 360 . 1 1 60 60 ASN HD21 H 1 6.81 . . 2 . . . . . . . . 1766 1 361 . 1 1 60 60 ASN HD22 H 1 7.7 . . 2 . . . . . . . . 1766 1 362 . 1 1 61 61 GLY H H 1 8.46 . . 1 . . . . . . . . 1766 1 363 . 1 1 61 61 GLY HA2 H 1 3.15 . . 2 . . . . . . . . 1766 1 364 . 1 1 61 61 GLY HA3 H 1 4.1 . . 2 . . . . . . . . 1766 1 365 . 1 1 62 62 SER H H 1 8.23 . . 1 . . . . . . . . 1766 1 366 . 1 1 62 62 SER HA H 1 5.2 . . 1 . . . . . . . . 1766 1 367 . 1 1 62 62 SER HB2 H 1 3.85 . . 2 . . . . . . . . 1766 1 368 . 1 1 62 62 SER HB3 H 1 3.83 . . 2 . . . . . . . . 1766 1 369 . 1 1 63 63 ALA H H 1 8.05 . . 1 . . . . . . . . 1766 1 370 . 1 1 63 63 ALA HA H 1 4.6 . . 1 . . . . . . . . 1766 1 371 . 1 1 63 63 ALA HB1 H 1 .96 . . 1 . . . . . . . . 1766 1 372 . 1 1 63 63 ALA HB2 H 1 .96 . . 1 . . . . . . . . 1766 1 373 . 1 1 63 63 ALA HB3 H 1 .96 . . 1 . . . . . . . . 1766 1 374 . 1 1 64 64 SER H H 1 8.39 . . 1 . . . . . . . . 1766 1 375 . 1 1 64 64 SER HA H 1 5.33 . . 1 . . . . . . . . 1766 1 376 . 1 1 64 64 SER HB2 H 1 3.76 . . 2 . . . . . . . . 1766 1 377 . 1 1 64 64 SER HB3 H 1 3.75 . . 2 . . . . . . . . 1766 1 378 . 1 1 65 65 THR H H 1 8.87 . . 1 . . . . . . . . 1766 1 379 . 1 1 65 65 THR HA H 1 4.64 . . 1 . . . . . . . . 1766 1 380 . 1 1 65 65 THR HB H 1 4.08 . . 1 . . . . . . . . 1766 1 381 . 1 1 65 65 THR HG21 H 1 .86 . . 1 . . . . . . . . 1766 1 382 . 1 1 65 65 THR HG22 H 1 .86 . . 1 . . . . . . . . 1766 1 383 . 1 1 65 65 THR HG23 H 1 .86 . . 1 . . . . . . . . 1766 1 384 . 1 1 66 66 SER H H 1 8.3 . . 1 . . . . . . . . 1766 1 385 . 1 1 66 66 SER HA H 1 5.47 . . 1 . . . . . . . . 1766 1 386 . 1 1 66 66 SER HB2 H 1 3.67 . . 2 . . . . . . . . 1766 1 387 . 1 1 66 66 SER HB3 H 1 3.61 . . 2 . . . . . . . . 1766 1 388 . 1 1 67 67 LEU H H 1 8.8 . . 1 . . . . . . . . 1766 1 389 . 1 1 67 67 LEU HA H 1 4.61 . . 1 . . . . . . . . 1766 1 390 . 1 1 67 67 LEU HB2 H 1 1.08 . . 2 . . . . . . . . 1766 1 391 . 1 1 67 67 LEU HB3 H 1 1.4 . . 2 . . . . . . . . 1766 1 392 . 1 1 67 67 LEU HG H 1 1.35 . . 1 . . . . . . . . 1766 1 393 . 1 1 67 67 LEU HD11 H 1 .58 . . 2 . . . . . . . . 1766 1 394 . 1 1 67 67 LEU HD12 H 1 .58 . . 2 . . . . . . . . 1766 1 395 . 1 1 67 67 LEU HD13 H 1 .58 . . 2 . . . . . . . . 1766 1 396 . 1 1 67 67 LEU HD21 H 1 .95 . . 2 . . . . . . . . 1766 1 397 . 1 1 67 67 LEU HD22 H 1 .95 . . 2 . . . . . . . . 1766 1 398 . 1 1 67 67 LEU HD23 H 1 .95 . . 2 . . . . . . . . 1766 1 399 . 1 1 68 68 THR H H 1 9 . . 1 . . . . . . . . 1766 1 400 . 1 1 68 68 THR HA H 1 4.58 . . 1 . . . . . . . . 1766 1 401 . 1 1 68 68 THR HB H 1 3.9 . . 1 . . . . . . . . 1766 1 402 . 1 1 68 68 THR HG21 H 1 .94 . . 1 . . . . . . . . 1766 1 403 . 1 1 68 68 THR HG22 H 1 .94 . . 1 . . . . . . . . 1766 1 404 . 1 1 68 68 THR HG23 H 1 .94 . . 1 . . . . . . . . 1766 1 405 . 1 1 69 69 VAL H H 1 8.56 . . 1 . . . . . . . . 1766 1 406 . 1 1 69 69 VAL HA H 1 4.38 . . 1 . . . . . . . . 1766 1 407 . 1 1 69 69 VAL HB H 1 1.98 . . 1 . . . . . . . . 1766 1 408 . 1 1 69 69 VAL HG11 H 1 .68 . . 2 . . . . . . . . 1766 1 409 . 1 1 69 69 VAL HG12 H 1 .68 . . 2 . . . . . . . . 1766 1 410 . 1 1 69 69 VAL HG13 H 1 .68 . . 2 . . . . . . . . 1766 1 411 . 1 1 69 69 VAL HG21 H 1 1.03 . . 2 . . . . . . . . 1766 1 412 . 1 1 69 69 VAL HG22 H 1 1.03 . . 2 . . . . . . . . 1766 1 413 . 1 1 69 69 VAL HG23 H 1 1.03 . . 2 . . . . . . . . 1766 1 414 . 1 1 70 70 ARG H H 1 8.6 . . 1 . . . . . . . . 1766 1 415 . 1 1 70 70 ARG HA H 1 4.99 . . 1 . . . . . . . . 1766 1 416 . 1 1 70 70 ARG HB2 H 1 1.52 . . 2 . . . . . . . . 1766 1 417 . 1 1 70 70 ARG HB3 H 1 2.17 . . 2 . . . . . . . . 1766 1 418 . 1 1 70 70 ARG HG2 H 1 1.39 . . 2 . . . . . . . . 1766 1 419 . 1 1 70 70 ARG HG3 H 1 1.85 . . 2 . . . . . . . . 1766 1 420 . 1 1 70 70 ARG HD2 H 1 3.03 . . 2 . . . . . . . . 1766 1 421 . 1 1 70 70 ARG HD3 H 1 3.14 . . 2 . . . . . . . . 1766 1 422 . 1 1 70 70 ARG HE H 1 7.91 . . 1 . . . . . . . . 1766 1 423 . 1 1 71 71 ARG H H 1 9.3 . . 1 . . . . . . . . 1766 1 424 . 1 1 71 71 ARG HA H 1 2.12 . . 1 . . . . . . . . 1766 1 425 . 1 1 71 71 ARG HB2 H 1 1.03 . . 2 . . . . . . . . 1766 1 426 . 1 1 71 71 ARG HB3 H 1 1.48 . . 2 . . . . . . . . 1766 1 427 . 1 1 71 71 ARG HG2 H 1 .77 . . 2 . . . . . . . . 1766 1 428 . 1 1 71 71 ARG HG3 H 1 1.32 . . 2 . . . . . . . . 1766 1 429 . 1 1 71 71 ARG HD2 H 1 3.01 . . 2 . . . . . . . . 1766 1 430 . 1 1 71 71 ARG HD3 H 1 3.05 . . 2 . . . . . . . . 1766 1 431 . 1 1 71 71 ARG HE H 1 7.3 . . 1 . . . . . . . . 1766 1 432 . 1 1 72 72 SER H H 1 7.4 . . 1 . . . . . . . . 1766 1 433 . 1 1 72 72 SER HA H 1 5.29 . . 1 . . . . . . . . 1766 1 434 . 1 1 72 72 SER HB2 H 1 3.5 . . 2 . . . . . . . . 1766 1 435 . 1 1 72 72 SER HB3 H 1 3.47 . . 2 . . . . . . . . 1766 1 436 . 1 1 73 73 PHE H H 1 8.32 . . 1 . . . . . . . . 1766 1 437 . 1 1 73 73 PHE HA H 1 4.86 . . 1 . . . . . . . . 1766 1 438 . 1 1 73 73 PHE HB2 H 1 2.79 . . 2 . . . . . . . . 1766 1 439 . 1 1 73 73 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 1766 1 440 . 1 1 73 73 PHE HD1 H 1 6.71 . . 1 . . . . . . . . 1766 1 441 . 1 1 73 73 PHE HD2 H 1 6.71 . . 1 . . . . . . . . 1766 1 442 . 1 1 73 73 PHE HE1 H 1 6.71 . . 1 . . . . . . . . 1766 1 443 . 1 1 73 73 PHE HE2 H 1 6.71 . . 1 . . . . . . . . 1766 1 444 . 1 1 73 73 PHE HZ H 1 6.86 . . 1 . . . . . . . . 1766 1 445 . 1 1 74 74 GLU H H 1 8.85 . . 1 . . . . . . . . 1766 1 446 . 1 1 74 74 GLU HA H 1 4.24 . . 1 . . . . . . . . 1766 1 447 . 1 1 74 74 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 1766 1 448 . 1 1 74 74 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 1766 1 449 . 1 1 74 74 GLU HG2 H 1 1.97 . . 2 . . . . . . . . 1766 1 450 . 1 1 74 74 GLU HG3 H 1 2.21 . . 2 . . . . . . . . 1766 1 451 . 1 1 75 75 GLY H H 1 9.18 . . 1 . . . . . . . . 1766 1 452 . 1 1 75 75 GLY HA2 H 1 3.3 . . 2 . . . . . . . . 1766 1 453 . 1 1 75 75 GLY HA3 H 1 4.89 . . 2 . . . . . . . . 1766 1 454 . 1 1 76 76 PHE H H 1 9.41 . . 1 . . . . . . . . 1766 1 455 . 1 1 76 76 PHE HA H 1 5.26 . . 1 . . . . . . . . 1766 1 456 . 1 1 76 76 PHE HB2 H 1 2.62 . . 2 . . . . . . . . 1766 1 457 . 1 1 76 76 PHE HB3 H 1 2.88 . . 2 . . . . . . . . 1766 1 458 . 1 1 76 76 PHE HD1 H 1 7.25 . . 1 . . . . . . . . 1766 1 459 . 1 1 76 76 PHE HD2 H 1 7.25 . . 1 . . . . . . . . 1766 1 460 . 1 1 76 76 PHE HE1 H 1 7.22 . . 1 . . . . . . . . 1766 1 461 . 1 1 76 76 PHE HE2 H 1 7.22 . . 1 . . . . . . . . 1766 1 462 . 1 1 77 77 LEU H H 1 9.34 . . 1 . . . . . . . . 1766 1 463 . 1 1 77 77 LEU HA H 1 4.8 . . 1 . . . . . . . . 1766 1 464 . 1 1 77 77 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 1766 1 465 . 1 1 77 77 LEU HB3 H 1 2.1 . . 2 . . . . . . . . 1766 1 466 . 1 1 77 77 LEU HG H 1 1.75 . . 1 . . . . . . . . 1766 1 467 . 1 1 77 77 LEU HD11 H 1 .74 . . 2 . . . . . . . . 1766 1 468 . 1 1 77 77 LEU HD12 H 1 .74 . . 2 . . . . . . . . 1766 1 469 . 1 1 77 77 LEU HD13 H 1 .74 . . 2 . . . . . . . . 1766 1 470 . 1 1 77 77 LEU HD21 H 1 1.02 . . 2 . . . . . . . . 1766 1 471 . 1 1 77 77 LEU HD22 H 1 1.02 . . 2 . . . . . . . . 1766 1 472 . 1 1 77 77 LEU HD23 H 1 1.02 . . 2 . . . . . . . . 1766 1 473 . 1 1 78 78 PHE H H 1 9.17 . . 1 . . . . . . . . 1766 1 474 . 1 1 78 78 PHE HA H 1 4.22 . . 1 . . . . . . . . 1766 1 475 . 1 1 78 78 PHE HB2 H 1 3.2 . . 2 . . . . . . . . 1766 1 476 . 1 1 78 78 PHE HB3 H 1 3.13 . . 2 . . . . . . . . 1766 1 477 . 1 1 78 78 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 1766 1 478 . 1 1 78 78 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 1766 1 479 . 1 1 78 78 PHE HE1 H 1 7.27 . . 1 . . . . . . . . 1766 1 480 . 1 1 78 78 PHE HE2 H 1 7.27 . . 1 . . . . . . . . 1766 1 481 . 1 1 78 78 PHE HZ H 1 7.2 . . 1 . . . . . . . . 1766 1 482 . 1 1 79 79 ASP H H 1 7.46 . . 1 . . . . . . . . 1766 1 483 . 1 1 79 79 ASP HA H 1 4.31 . . 1 . . . . . . . . 1766 1 484 . 1 1 79 79 ASP HB2 H 1 2.32 . . 2 . . . . . . . . 1766 1 485 . 1 1 79 79 ASP HB3 H 1 3 . . 2 . . . . . . . . 1766 1 486 . 1 1 80 80 GLY H H 1 8.19 . . 1 . . . . . . . . 1766 1 487 . 1 1 80 80 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 1766 1 488 . 1 1 80 80 GLY HA3 H 1 4.32 . . 2 . . . . . . . . 1766 1 489 . 1 1 81 81 THR H H 1 7.97 . . 1 . . . . . . . . 1766 1 490 . 1 1 81 81 THR HA H 1 4.05 . . 1 . . . . . . . . 1766 1 491 . 1 1 81 81 THR HB H 1 4.05 . . 1 . . . . . . . . 1766 1 492 . 1 1 81 81 THR HG21 H 1 1.18 . . 1 . . . . . . . . 1766 1 493 . 1 1 81 81 THR HG22 H 1 1.18 . . 1 . . . . . . . . 1766 1 494 . 1 1 81 81 THR HG23 H 1 1.18 . . 1 . . . . . . . . 1766 1 495 . 1 1 82 82 ARG H H 1 8.75 . . 1 . . . . . . . . 1766 1 496 . 1 1 82 82 ARG HA H 1 3.59 . . 1 . . . . . . . . 1766 1 497 . 1 1 82 82 ARG HB2 H 1 1.5 . . 2 . . . . . . . . 1766 1 498 . 1 1 82 82 ARG HB3 H 1 1.6 . . 2 . . . . . . . . 1766 1 499 . 1 1 82 82 ARG HG2 H 1 .87 . . 1 . . . . . . . . 1766 1 500 . 1 1 82 82 ARG HG3 H 1 .87 . . 1 . . . . . . . . 1766 1 501 . 1 1 82 82 ARG HD2 H 1 2.97 . . 1 . . . . . . . . 1766 1 502 . 1 1 82 82 ARG HD3 H 1 2.97 . . 1 . . . . . . . . 1766 1 503 . 1 1 82 82 ARG HE H 1 7.35 . . 1 . . . . . . . . 1766 1 504 . 1 1 82 82 ARG HH11 H 1 6.61 . . 1 . . . . . . . . 1766 1 505 . 1 1 82 82 ARG HH12 H 1 6.61 . . 1 . . . . . . . . 1766 1 506 . 1 1 82 82 ARG HH21 H 1 6.61 . . 1 . . . . . . . . 1766 1 507 . 1 1 82 82 ARG HH22 H 1 6.61 . . 1 . . . . . . . . 1766 1 508 . 1 1 83 83 TRP H H 1 8.94 . . 1 . . . . . . . . 1766 1 509 . 1 1 83 83 TRP HA H 1 4.29 . . 1 . . . . . . . . 1766 1 510 . 1 1 83 83 TRP HB2 H 1 2.71 . . 2 . . . . . . . . 1766 1 511 . 1 1 83 83 TRP HB3 H 1 2.81 . . 2 . . . . . . . . 1766 1 512 . 1 1 83 83 TRP HD1 H 1 6.86 . . 1 . . . . . . . . 1766 1 513 . 1 1 83 83 TRP HE1 H 1 10.17 . . 1 . . . . . . . . 1766 1 514 . 1 1 83 83 TRP HE3 H 1 7.04 . . 1 . . . . . . . . 1766 1 515 . 1 1 83 83 TRP HZ2 H 1 7.33 . . 1 . . . . . . . . 1766 1 516 . 1 1 83 83 TRP HZ3 H 1 6.81 . . 1 . . . . . . . . 1766 1 517 . 1 1 83 83 TRP HH2 H 1 7.09 . . 1 . . . . . . . . 1766 1 518 . 1 1 84 84 GLY H H 1 7.09 . . 1 . . . . . . . . 1766 1 519 . 1 1 84 84 GLY HA2 H 1 3.51 . . 2 . . . . . . . . 1766 1 520 . 1 1 84 84 GLY HA3 H 1 3.82 . . 2 . . . . . . . . 1766 1 521 . 1 1 85 85 THR H H 1 8.4 . . 1 . . . . . . . . 1766 1 522 . 1 1 85 85 THR HA H 1 4.14 . . 1 . . . . . . . . 1766 1 523 . 1 1 85 85 THR HB H 1 3.74 . . 1 . . . . . . . . 1766 1 524 . 1 1 85 85 THR HG21 H 1 .89 . . 1 . . . . . . . . 1766 1 525 . 1 1 85 85 THR HG22 H 1 .89 . . 1 . . . . . . . . 1766 1 526 . 1 1 85 85 THR HG23 H 1 .89 . . 1 . . . . . . . . 1766 1 527 . 1 1 86 86 VAL H H 1 8.94 . . 1 . . . . . . . . 1766 1 528 . 1 1 86 86 VAL HA H 1 3.68 . . 1 . . . . . . . . 1766 1 529 . 1 1 86 86 VAL HB H 1 .2 . . 1 . . . . . . . . 1766 1 530 . 1 1 86 86 VAL HG11 H 1 .19 . . 2 . . . . . . . . 1766 1 531 . 1 1 86 86 VAL HG12 H 1 .19 . . 2 . . . . . . . . 1766 1 532 . 1 1 86 86 VAL HG13 H 1 .19 . . 2 . . . . . . . . 1766 1 533 . 1 1 86 86 VAL HG21 H 1 .43 . . 2 . . . . . . . . 1766 1 534 . 1 1 86 86 VAL HG22 H 1 .43 . . 2 . . . . . . . . 1766 1 535 . 1 1 86 86 VAL HG23 H 1 .43 . . 2 . . . . . . . . 1766 1 536 . 1 1 87 87 ASP H H 1 8.28 . . 1 . . . . . . . . 1766 1 537 . 1 1 87 87 ASP HA H 1 4.74 . . 1 . . . . . . . . 1766 1 538 . 1 1 87 87 ASP HB2 H 1 2.26 . . 2 . . . . . . . . 1766 1 539 . 1 1 87 87 ASP HB3 H 1 2.93 . . 2 . . . . . . . . 1766 1 540 . 1 1 88 88 CYS H H 1 9.1 . . 1 . . . . . . . . 1766 1 541 . 1 1 88 88 CYS HA H 1 4.85 . . 1 . . . . . . . . 1766 1 542 . 1 1 88 88 CYS HB2 H 1 3.77 . . 2 . . . . . . . . 1766 1 543 . 1 1 88 88 CYS HB3 H 1 2.66 . . 2 . . . . . . . . 1766 1 544 . 1 1 89 89 THR H H 1 9.09 . . 1 . . . . . . . . 1766 1 545 . 1 1 89 89 THR HA H 1 4.42 . . 1 . . . . . . . . 1766 1 546 . 1 1 89 89 THR HB H 1 4.19 . . 1 . . . . . . . . 1766 1 547 . 1 1 89 89 THR HG21 H 1 1.18 . . 1 . . . . . . . . 1766 1 548 . 1 1 89 89 THR HG22 H 1 1.18 . . 1 . . . . . . . . 1766 1 549 . 1 1 89 89 THR HG23 H 1 1.18 . . 1 . . . . . . . . 1766 1 550 . 1 1 90 90 THR H H 1 7.42 . . 1 . . . . . . . . 1766 1 551 . 1 1 90 90 THR HA H 1 4.48 . . 1 . . . . . . . . 1766 1 552 . 1 1 90 90 THR HB H 1 4.23 . . 1 . . . . . . . . 1766 1 553 . 1 1 90 90 THR HG21 H 1 1.11 . . 1 . . . . . . . . 1766 1 554 . 1 1 90 90 THR HG22 H 1 1.11 . . 1 . . . . . . . . 1766 1 555 . 1 1 90 90 THR HG23 H 1 1.11 . . 1 . . . . . . . . 1766 1 556 . 1 1 91 91 ALA H H 1 8.32 . . 1 . . . . . . . . 1766 1 557 . 1 1 91 91 ALA HA H 1 4.48 . . 1 . . . . . . . . 1766 1 558 . 1 1 91 91 ALA HB1 H 1 1.18 . . 1 . . . . . . . . 1766 1 559 . 1 1 91 91 ALA HB2 H 1 1.18 . . 1 . . . . . . . . 1766 1 560 . 1 1 91 91 ALA HB3 H 1 1.18 . . 1 . . . . . . . . 1766 1 561 . 1 1 92 92 ALA H H 1 8.25 . . 1 . . . . . . . . 1766 1 562 . 1 1 92 92 ALA HA H 1 4.66 . . 1 . . . . . . . . 1766 1 563 . 1 1 92 92 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 1766 1 564 . 1 1 92 92 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 1766 1 565 . 1 1 92 92 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 1766 1 566 . 1 1 93 93 CYS H H 1 9.18 . . 1 . . . . . . . . 1766 1 567 . 1 1 93 93 CYS HA H 1 5.2 . . 1 . . . . . . . . 1766 1 568 . 1 1 93 93 CYS HB2 H 1 3.86 . . 2 . . . . . . . . 1766 1 569 . 1 1 93 93 CYS HB3 H 1 3.19 . . 2 . . . . . . . . 1766 1 570 . 1 1 94 94 GLN H H 1 9.33 . . 1 . . . . . . . . 1766 1 571 . 1 1 94 94 GLN HA H 1 5.4 . . 1 . . . . . . . . 1766 1 572 . 1 1 94 94 GLN HB2 H 1 1.39 . . 2 . . . . . . . . 1766 1 573 . 1 1 94 94 GLN HB3 H 1 2.02 . . 2 . . . . . . . . 1766 1 574 . 1 1 94 94 GLN HG2 H 1 1.81 . . 2 . . . . . . . . 1766 1 575 . 1 1 94 94 GLN HG3 H 1 1.88 . . 2 . . . . . . . . 1766 1 576 . 1 1 94 94 GLN HE21 H 1 6.76 . . 2 . . . . . . . . 1766 1 577 . 1 1 94 94 GLN HE22 H 1 7.3 . . 2 . . . . . . . . 1766 1 578 . 1 1 95 95 VAL H H 1 8.77 . . 1 . . . . . . . . 1766 1 579 . 1 1 95 95 VAL HA H 1 4.78 . . 1 . . . . . . . . 1766 1 580 . 1 1 95 95 VAL HB H 1 1.62 . . 1 . . . . . . . . 1766 1 581 . 1 1 95 95 VAL HG11 H 1 .6 . . 2 . . . . . . . . 1766 1 582 . 1 1 95 95 VAL HG12 H 1 .6 . . 2 . . . . . . . . 1766 1 583 . 1 1 95 95 VAL HG13 H 1 .6 . . 2 . . . . . . . . 1766 1 584 . 1 1 95 95 VAL HG21 H 1 .72 . . 2 . . . . . . . . 1766 1 585 . 1 1 95 95 VAL HG22 H 1 .72 . . 2 . . . . . . . . 1766 1 586 . 1 1 95 95 VAL HG23 H 1 .72 . . 2 . . . . . . . . 1766 1 587 . 1 1 96 96 GLY H H 1 8.13 . . 1 . . . . . . . . 1766 1 588 . 1 1 96 96 GLY HA2 H 1 3.71 . . 2 . . . . . . . . 1766 1 589 . 1 1 96 96 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 1766 1 590 . 1 1 97 97 LEU H H 1 7.86 . . 1 . . . . . . . . 1766 1 591 . 1 1 97 97 LEU HA H 1 5.28 . . 1 . . . . . . . . 1766 1 592 . 1 1 97 97 LEU HB2 H 1 1.05 . . 2 . . . . . . . . 1766 1 593 . 1 1 97 97 LEU HB3 H 1 1.27 . . 2 . . . . . . . . 1766 1 594 . 1 1 97 97 LEU HG H 1 1.34 . . 1 . . . . . . . . 1766 1 595 . 1 1 97 97 LEU HD11 H 1 .3 . . 2 . . . . . . . . 1766 1 596 . 1 1 97 97 LEU HD12 H 1 .3 . . 2 . . . . . . . . 1766 1 597 . 1 1 97 97 LEU HD13 H 1 .3 . . 2 . . . . . . . . 1766 1 598 . 1 1 97 97 LEU HD21 H 1 .47 . . 2 . . . . . . . . 1766 1 599 . 1 1 97 97 LEU HD22 H 1 .47 . . 2 . . . . . . . . 1766 1 600 . 1 1 97 97 LEU HD23 H 1 .47 . . 2 . . . . . . . . 1766 1 601 . 1 1 98 98 SER H H 1 8.56 . . 1 . . . . . . . . 1766 1 602 . 1 1 98 98 SER HA H 1 5.01 . . 1 . . . . . . . . 1766 1 603 . 1 1 98 98 SER HB2 H 1 3.52 . . 2 . . . . . . . . 1766 1 604 . 1 1 98 98 SER HB3 H 1 3.43 . . 2 . . . . . . . . 1766 1 605 . 1 1 99 99 ASP H H 1 8.92 . . 1 . . . . . . . . 1766 1 606 . 1 1 99 99 ASP HA H 1 4.63 . . 1 . . . . . . . . 1766 1 607 . 1 1 99 99 ASP HB2 H 1 2.1 . . 2 . . . . . . . . 1766 1 608 . 1 1 99 99 ASP HB3 H 1 2.83 . . 2 . . . . . . . . 1766 1 609 . 1 1 100 100 ALA H H 1 8.49 . . 1 . . . . . . . . 1766 1 610 . 1 1 100 100 ALA HA H 1 4.02 . . 1 . . . . . . . . 1766 1 611 . 1 1 100 100 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 1766 1 612 . 1 1 100 100 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 1766 1 613 . 1 1 100 100 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 1766 1 614 . 1 1 101 101 ALA H H 1 7.8 . . 1 . . . . . . . . 1766 1 615 . 1 1 101 101 ALA HA H 1 4.35 . . 1 . . . . . . . . 1766 1 616 . 1 1 101 101 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 1766 1 617 . 1 1 101 101 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 1766 1 618 . 1 1 101 101 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 1766 1 619 . 1 1 102 102 GLY H H 1 8 . . 1 . . . . . . . . 1766 1 620 . 1 1 102 102 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 1766 1 621 . 1 1 102 102 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 1766 1 622 . 1 1 103 103 ASN H H 1 8.47 . . 1 . . . . . . . . 1766 1 623 . 1 1 103 103 ASN HA H 1 4.94 . . 1 . . . . . . . . 1766 1 624 . 1 1 103 103 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 1766 1 625 . 1 1 103 103 ASN HB3 H 1 3 . . 2 . . . . . . . . 1766 1 626 . 1 1 103 103 ASN HD21 H 1 6.92 . . 2 . . . . . . . . 1766 1 627 . 1 1 103 103 ASN HD22 H 1 8.01 . . 2 . . . . . . . . 1766 1 628 . 1 1 104 104 GLY H H 1 7.96 . . 1 . . . . . . . . 1766 1 629 . 1 1 104 104 GLY HA2 H 1 4.24 . . 2 . . . . . . . . 1766 1 630 . 1 1 104 104 GLY HA3 H 1 4.62 . . 2 . . . . . . . . 1766 1 631 . 1 1 105 105 PRO HA H 1 4.42 . . 1 . . . . . . . . 1766 1 632 . 1 1 105 105 PRO HB2 H 1 1.85 . . 2 . . . . . . . . 1766 1 633 . 1 1 105 105 PRO HB3 H 1 2.01 . . 2 . . . . . . . . 1766 1 634 . 1 1 105 105 PRO HG2 H 1 1.87 . . 2 . . . . . . . . 1766 1 635 . 1 1 105 105 PRO HG3 H 1 1.53 . . 2 . . . . . . . . 1766 1 636 . 1 1 105 105 PRO HD2 H 1 3.71 . . 2 . . . . . . . . 1766 1 637 . 1 1 105 105 PRO HD3 H 1 2.97 . . 2 . . . . . . . . 1766 1 638 . 1 1 106 106 GLU H H 1 8.53 . . 1 . . . . . . . . 1766 1 639 . 1 1 106 106 GLU HA H 1 4.17 . . 1 . . . . . . . . 1766 1 640 . 1 1 106 106 GLU HB2 H 1 2 . . 2 . . . . . . . . 1766 1 641 . 1 1 106 106 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 1766 1 642 . 1 1 106 106 GLU HG2 H 1 2.58 . . 2 . . . . . . . . 1766 1 643 . 1 1 106 106 GLU HG3 H 1 2.59 . . 2 . . . . . . . . 1766 1 644 . 1 1 107 107 GLY H H 1 8.56 . . 1 . . . . . . . . 1766 1 645 . 1 1 107 107 GLY HA2 H 1 3.41 . . 2 . . . . . . . . 1766 1 646 . 1 1 107 107 GLY HA3 H 1 4.02 . . 2 . . . . . . . . 1766 1 647 . 1 1 108 108 VAL H H 1 8.66 . . 1 . . . . . . . . 1766 1 648 . 1 1 108 108 VAL HA H 1 4.1 . . 1 . . . . . . . . 1766 1 649 . 1 1 108 108 VAL HB H 1 1.85 . . 1 . . . . . . . . 1766 1 650 . 1 1 108 108 VAL HG11 H 1 .84 . . 2 . . . . . . . . 1766 1 651 . 1 1 108 108 VAL HG12 H 1 .84 . . 2 . . . . . . . . 1766 1 652 . 1 1 108 108 VAL HG13 H 1 .84 . . 2 . . . . . . . . 1766 1 653 . 1 1 108 108 VAL HG21 H 1 .98 . . 2 . . . . . . . . 1766 1 654 . 1 1 108 108 VAL HG22 H 1 .98 . . 2 . . . . . . . . 1766 1 655 . 1 1 108 108 VAL HG23 H 1 .98 . . 2 . . . . . . . . 1766 1 656 . 1 1 109 109 ALA H H 1 8.43 . . 1 . . . . . . . . 1766 1 657 . 1 1 109 109 ALA HA H 1 4.41 . . 1 . . . . . . . . 1766 1 658 . 1 1 109 109 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 1766 1 659 . 1 1 109 109 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 1766 1 660 . 1 1 109 109 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 1766 1 661 . 1 1 110 110 ILE H H 1 7.72 . . 1 . . . . . . . . 1766 1 662 . 1 1 110 110 ILE HA H 1 5.37 . . 1 . . . . . . . . 1766 1 663 . 1 1 110 110 ILE HB H 1 1.56 . . 1 . . . . . . . . 1766 1 664 . 1 1 110 110 ILE HG12 H 1 .71 . . 2 . . . . . . . . 1766 1 665 . 1 1 110 110 ILE HG13 H 1 1.37 . . 2 . . . . . . . . 1766 1 666 . 1 1 110 110 ILE HG21 H 1 .78 . . 1 . . . . . . . . 1766 1 667 . 1 1 110 110 ILE HG22 H 1 .78 . . 1 . . . . . . . . 1766 1 668 . 1 1 110 110 ILE HG23 H 1 .78 . . 1 . . . . . . . . 1766 1 669 . 1 1 110 110 ILE HD11 H 1 .71 . . 1 . . . . . . . . 1766 1 670 . 1 1 110 110 ILE HD12 H 1 .71 . . 1 . . . . . . . . 1766 1 671 . 1 1 110 110 ILE HD13 H 1 .71 . . 1 . . . . . . . . 1766 1 672 . 1 1 111 111 SER H H 1 7.96 . . 1 . . . . . . . . 1766 1 673 . 1 1 111 111 SER HA H 1 4.99 . . 1 . . . . . . . . 1766 1 674 . 1 1 111 111 SER HB2 H 1 3.81 . . 2 . . . . . . . . 1766 1 675 . 1 1 111 111 SER HB3 H 1 3.85 . . 2 . . . . . . . . 1766 1 676 . 1 1 112 112 PHE H H 1 8.97 . . 1 . . . . . . . . 1766 1 677 . 1 1 112 112 PHE HA H 1 4.62 . . 1 . . . . . . . . 1766 1 678 . 1 1 112 112 PHE HB2 H 1 3.12 . . 2 . . . . . . . . 1766 1 679 . 1 1 112 112 PHE HB3 H 1 2.53 . . 2 . . . . . . . . 1766 1 680 . 1 1 112 112 PHE HD1 H 1 6.87 . . 1 . . . . . . . . 1766 1 681 . 1 1 112 112 PHE HD2 H 1 6.87 . . 1 . . . . . . . . 1766 1 682 . 1 1 112 112 PHE HE1 H 1 6.81 . . 1 . . . . . . . . 1766 1 683 . 1 1 112 112 PHE HE2 H 1 6.81 . . 1 . . . . . . . . 1766 1 684 . 1 1 112 112 PHE HZ H 1 6.68 . . 1 . . . . . . . . 1766 1 685 . 1 1 113 113 ASN H H 1 8.35 . . 1 . . . . . . . . 1766 1 686 . 1 1 113 113 ASN HA H 1 4.45 . . 1 . . . . . . . . 1766 1 687 . 1 1 113 113 ASN HB2 H 1 2.65 . . 1 . . . . . . . . 1766 1 688 . 1 1 113 113 ASN HB3 H 1 2.65 . . 1 . . . . . . . . 1766 1 689 . 1 1 113 113 ASN HD21 H 1 6.62 . . 2 . . . . . . . . 1766 1 690 . 1 1 113 113 ASN HD22 H 1 7.25 . . 2 . . . . . . . . 1766 1 stop_ save_