data_6560 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6560 _Entry.Title ; The NMR solution structure of a redesigned apocytochrome b562:Rd-apocyt b562 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-18 _Entry.Accession_date 2005-03-31 _Entry.Last_release_date 2005-08-30 _Entry.Original_release_date 2005-08-30 _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 H. Feng . . . 6560 2 J. Takei . . . 6560 3 R. Lipsitz . . . 6560 4 N. Tjandra . . . 6560 5 Y. Bai . . . 6560 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6560 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 6560 '15N chemical shifts' 110 6560 '1H chemical shifts' 713 6560 'coupling constants' 99 6560 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 . . 2005-08-30 2005-03-18 original author . 6560 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1YYJ 'BMRB Entry Tracking System' 6560 PDB 1YYX 'BMRB Entry Tracking System' 6560 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6560 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14580191 _Citation.Full_citation . _Citation.Title ; Specific non-native hydrophobic interactions in a hidden folding intermediate: implications for protein folding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 43 _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 12461 _Citation.Page_last 12465 _Citation.Year 2003 _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 H. Feng . . . 6560 1 2 J. Takei . . . 6560 1 3 R. Lipsitz . . . 6560 1 4 N. Tjandra . . . 6560 1 5 Y. Bai . . . 6560 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Berkeley Structural Genomics Center' 6560 1 BSGC 6560 1 'four Helix protein' 6560 1 'Protein Structure Initiative' 6560 1 PSI 6560 1 'Structural Genomics' 6560 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6560 _Assembly.ID 1 _Assembly.Name 'redesigned apocytochrome B562' _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 'not present' _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 6560 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 'redesigned apocytochrome B562' 1 $B562 . . . native . . . . . 6560 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'redesigned apocytochrome B562' abbreviation 6560 1 'redesigned apocytochrome B562' system 6560 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B562 _Entity.Sf_category entity _Entity.Sf_framecode B562 _Entity.Entry_ID 6560 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'redesigned apocytochrome B562' _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 ; ADLEDNWETLNDNLKVIEKA DNAAQVKDALTKMRAAALDA QKATPPKLEDKSPDSPEMKD FRHGFDILVGQIDDALKLAN EGKVKEAQAAAEQLKTTIRA YNQKYG ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1M6T . "Crystal Structure Of B562ril, A Redesigned Four Helix Bundle" . . . . . 99.06 106 97.14 97.14 7.86e-64 . . . . 6560 1 2 no PDB 1YYJ . "The Nmr Solution Structure Of A Redesigned Apocytochrome B562:rd-Apocyt B562" . . . . . 100.00 106 100.00 100.00 2.18e-68 . . . . 6560 1 3 no PDB 1YYX . "The Solution Structure Of A Redesigned Apocytochrome B562 (Rd-Apocyt B562) At 2.8m Urea" . . . . . 100.00 106 100.00 100.00 2.18e-68 . . . . 6560 1 4 no PDB 4EA3 . "Structure Of The NOFQ OPIOID RECEPTOR IN COMPLEX WITH A PEPTIDE Mimetic" . . . . . 99.06 434 97.14 97.14 5.24e-64 . . . . 6560 1 5 no PDB 4EIY . "Crystal Structure Of The Chimeric Protein Of A2aar-Bril In Complex With Zm241385 At 1.8a Resolution" . . . . . 99.06 447 97.14 97.14 7.07e-64 . . . . 6560 1 6 no PDB 4IAQ . "Crystal Structure Of The Chimeric Protein Of 5-ht1b-bril In Complex With Dihydroergotamine (psi Community Target)" . . . . . 99.06 403 97.14 97.14 1.10e-63 . . . . 6560 1 7 no PDB 4IAR . "Crystal Structure Of The Chimeric Protein Of 5-ht1b-bril In Complex With Ergotamine (psi Community Target)" . . . . . 99.06 401 97.14 97.14 1.18e-63 . . . . 6560 1 8 no PDB 4IB4 . "Crystal Structure Of The Chimeric Protein Of 5-ht2b-bril In Complex With Ergotamine" . . . . . 99.06 430 97.14 97.14 3.89e-61 . . . . 6560 1 9 no PDB 4JKV . "Structure Of The Human Smoothened 7tm Receptor In Complex With An Antitumor Agent" . . . . . 99.06 475 97.14 97.14 1.31e-63 . . . . 6560 1 10 no PDB 4L6R . "Structure Of The Class B Human Glucagon G Protein Coupled Receptor" . . . . . 99.06 425 97.14 97.14 2.94e-63 . . . . 6560 1 11 no PDB 4N4W . "Structure Of The Human Smoothened Receptor In Complex With Sant-1" . . . . . 99.06 475 97.14 97.14 1.31e-63 . . . . 6560 1 12 no PDB 4N6H . "1.8 A Structure Of The Human Delta Opioid 7tm Receptor (psi Community Target)" . . . . . 99.06 414 97.14 97.14 3.27e-64 . . . . 6560 1 13 no PDB 4NC3 . "Crystal Structure Of The 5-ht2b Receptor Solved Using Serial Femtosecond Crystallography In Lipidic Cubic Phase" . . . . . 99.06 430 97.14 97.14 3.89e-61 . . . . 6560 1 14 no PDB 4NTJ . "Structure Of The Human P2y12 Receptor In Complex With An Antithrombotic Drug" . . . . . 99.06 466 97.14 97.14 1.15e-62 . . . . 6560 1 15 no PDB 4O9R . "Human Smoothened Receptor Structure In Complex With Cyclopamine" . . . . . 99.06 468 97.14 97.14 1.13e-63 . . . . 6560 1 16 no PDB 4OR2 . "Human Class C G Protein-coupled Metabotropic Glutamate Receptor 1 In Complex With A Negative Allosteric Modulator" . . . . . 99.06 389 97.14 97.14 1.77e-64 . . . . 6560 1 17 no PDB 4PXZ . "Crystal Structure Of P2y12 Receptor In Complex With 2mesadp" . . . . . 99.06 466 97.14 97.14 1.15e-62 . . . . 6560 1 18 no PDB 4PY0 . "Crystal Structure Of P2y12 Receptor In Complex With 2mesatp" . . . . . 99.06 466 97.14 97.14 1.15e-62 . . . . 6560 1 19 no PDB 4QIM . "Structure Of The Human Smoothened Receptor In Complex With Anta Xv" . . . . . 99.06 468 97.14 97.14 1.13e-63 . . . . 6560 1 20 no PDB 4QIN . "Structure Of The Human Smoothened Receptor In Complex With Sag1.5" . . . . . 99.06 468 97.14 97.14 1.13e-63 . . . . 6560 1 21 no PDB 4RWA . "Synchrotron Structure Of The Human Delta Opioid Receptor In Complex With A Bifunctional Peptide (psi Community Target)" . . . . . 99.06 411 97.14 97.14 3.24e-64 . . . . 6560 1 22 no PDB 4RWD . "Xfel Structure Of The Human Delta Opioid Receptor In Complex With A Bifunctional Peptide" . . . . . 99.06 411 97.14 97.14 3.24e-64 . . . . 6560 1 23 no EMBL CDX09681 . "soluble cytochrome b562,Soluble cytochrome b562 precursor,cytochrome b562,Soluble cytochrome b562,Cytochrome b562 [Shigella fle" . . . . . 80.19 114 97.65 97.65 2.75e-50 . . . . 6560 1 24 no GB AAN45672 . "Soluble cytochrome B562 precursor [Shigella flexneri 2a str. 301]" . . . . . 80.19 114 97.65 97.65 2.75e-50 . . . . 6560 1 25 no GB AIL38642 . "CybC [Shigella flexneri 2003036]" . . . . . 80.19 114 97.65 97.65 2.75e-50 . . . . 6560 1 26 no GB AIL43578 . "CybC [Shigella flexneri Shi06HN006]" . . . . . 80.19 114 97.65 97.65 2.75e-50 . . . . 6560 1 27 no GB EFS10896 . "cytochrome b562 family protein [Shigella flexneri 2a str. 2457T]" . . . . . 74.53 86 97.47 97.47 1.46e-45 . . . . 6560 1 28 no GB EGJ79391 . "cytochrome b562 family protein [Shigella flexneri K-671]" . . . . . 80.19 114 97.65 97.65 2.75e-50 . . . . 6560 1 29 no REF NP_709965 . "soluble cytochrome B562 [Shigella flexneri 2a str. 301]" . . . . . 80.19 114 97.65 97.65 2.75e-50 . . . . 6560 1 30 no REF WP_005086530 . "cytochrome B562 [Shigella flexneri]" . . . . . 80.19 114 97.65 97.65 2.75e-50 . . . . 6560 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'redesigned apocytochrome B562' abbreviation 6560 1 'redesigned apocytochrome B562' common 6560 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 . 6560 1 2 . ASP . 6560 1 3 . LEU . 6560 1 4 . GLU . 6560 1 5 . ASP . 6560 1 6 . ASN . 6560 1 7 . TRP . 6560 1 8 . GLU . 6560 1 9 . THR . 6560 1 10 . LEU . 6560 1 11 . ASN . 6560 1 12 . ASP . 6560 1 13 . ASN . 6560 1 14 . LEU . 6560 1 15 . LYS . 6560 1 16 . VAL . 6560 1 17 . ILE . 6560 1 18 . GLU . 6560 1 19 . LYS . 6560 1 20 . ALA . 6560 1 21 . ASP . 6560 1 22 . ASN . 6560 1 23 . ALA . 6560 1 24 . ALA . 6560 1 25 . GLN . 6560 1 26 . VAL . 6560 1 27 . LYS . 6560 1 28 . ASP . 6560 1 29 . ALA . 6560 1 30 . LEU . 6560 1 31 . THR . 6560 1 32 . LYS . 6560 1 33 . MET . 6560 1 34 . ARG . 6560 1 35 . ALA . 6560 1 36 . ALA . 6560 1 37 . ALA . 6560 1 38 . LEU . 6560 1 39 . ASP . 6560 1 40 . ALA . 6560 1 41 . GLN . 6560 1 42 . LYS . 6560 1 43 . ALA . 6560 1 44 . THR . 6560 1 45 . PRO . 6560 1 46 . PRO . 6560 1 47 . LYS . 6560 1 48 . LEU . 6560 1 49 . GLU . 6560 1 50 . ASP . 6560 1 51 . LYS . 6560 1 52 . SER . 6560 1 53 . PRO . 6560 1 54 . ASP . 6560 1 55 . SER . 6560 1 56 . PRO . 6560 1 57 . GLU . 6560 1 58 . MET . 6560 1 59 . LYS . 6560 1 60 . ASP . 6560 1 61 . PHE . 6560 1 62 . ARG . 6560 1 63 . HIS . 6560 1 64 . GLY . 6560 1 65 . PHE . 6560 1 66 . ASP . 6560 1 67 . ILE . 6560 1 68 . LEU . 6560 1 69 . VAL . 6560 1 70 . GLY . 6560 1 71 . GLN . 6560 1 72 . ILE . 6560 1 73 . ASP . 6560 1 74 . ASP . 6560 1 75 . ALA . 6560 1 76 . LEU . 6560 1 77 . LYS . 6560 1 78 . LEU . 6560 1 79 . ALA . 6560 1 80 . ASN . 6560 1 81 . GLU . 6560 1 82 . GLY . 6560 1 83 . LYS . 6560 1 84 . VAL . 6560 1 85 . LYS . 6560 1 86 . GLU . 6560 1 87 . ALA . 6560 1 88 . GLN . 6560 1 89 . ALA . 6560 1 90 . ALA . 6560 1 91 . ALA . 6560 1 92 . GLU . 6560 1 93 . GLN . 6560 1 94 . LEU . 6560 1 95 . LYS . 6560 1 96 . THR . 6560 1 97 . THR . 6560 1 98 . ILE . 6560 1 99 . ARG . 6560 1 100 . ALA . 6560 1 101 . TYR . 6560 1 102 . ASN . 6560 1 103 . GLN . 6560 1 104 . LYS . 6560 1 105 . TYR . 6560 1 106 . GLY . 6560 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 6560 1 . ASP 2 2 6560 1 . LEU 3 3 6560 1 . GLU 4 4 6560 1 . ASP 5 5 6560 1 . ASN 6 6 6560 1 . TRP 7 7 6560 1 . GLU 8 8 6560 1 . THR 9 9 6560 1 . LEU 10 10 6560 1 . ASN 11 11 6560 1 . ASP 12 12 6560 1 . ASN 13 13 6560 1 . LEU 14 14 6560 1 . LYS 15 15 6560 1 . VAL 16 16 6560 1 . ILE 17 17 6560 1 . GLU 18 18 6560 1 . LYS 19 19 6560 1 . ALA 20 20 6560 1 . ASP 21 21 6560 1 . ASN 22 22 6560 1 . ALA 23 23 6560 1 . ALA 24 24 6560 1 . GLN 25 25 6560 1 . VAL 26 26 6560 1 . LYS 27 27 6560 1 . ASP 28 28 6560 1 . ALA 29 29 6560 1 . LEU 30 30 6560 1 . THR 31 31 6560 1 . LYS 32 32 6560 1 . MET 33 33 6560 1 . ARG 34 34 6560 1 . ALA 35 35 6560 1 . ALA 36 36 6560 1 . ALA 37 37 6560 1 . LEU 38 38 6560 1 . ASP 39 39 6560 1 . ALA 40 40 6560 1 . GLN 41 41 6560 1 . LYS 42 42 6560 1 . ALA 43 43 6560 1 . THR 44 44 6560 1 . PRO 45 45 6560 1 . PRO 46 46 6560 1 . LYS 47 47 6560 1 . LEU 48 48 6560 1 . GLU 49 49 6560 1 . ASP 50 50 6560 1 . LYS 51 51 6560 1 . SER 52 52 6560 1 . PRO 53 53 6560 1 . ASP 54 54 6560 1 . SER 55 55 6560 1 . PRO 56 56 6560 1 . GLU 57 57 6560 1 . MET 58 58 6560 1 . LYS 59 59 6560 1 . ASP 60 60 6560 1 . PHE 61 61 6560 1 . ARG 62 62 6560 1 . HIS 63 63 6560 1 . GLY 64 64 6560 1 . PHE 65 65 6560 1 . ASP 66 66 6560 1 . ILE 67 67 6560 1 . LEU 68 68 6560 1 . VAL 69 69 6560 1 . GLY 70 70 6560 1 . GLN 71 71 6560 1 . ILE 72 72 6560 1 . ASP 73 73 6560 1 . ASP 74 74 6560 1 . ALA 75 75 6560 1 . LEU 76 76 6560 1 . LYS 77 77 6560 1 . LEU 78 78 6560 1 . ALA 79 79 6560 1 . ASN 80 80 6560 1 . GLU 81 81 6560 1 . GLY 82 82 6560 1 . LYS 83 83 6560 1 . VAL 84 84 6560 1 . LYS 85 85 6560 1 . GLU 86 86 6560 1 . ALA 87 87 6560 1 . GLN 88 88 6560 1 . ALA 89 89 6560 1 . ALA 90 90 6560 1 . ALA 91 91 6560 1 . GLU 92 92 6560 1 . GLN 93 93 6560 1 . LEU 94 94 6560 1 . LYS 95 95 6560 1 . THR 96 96 6560 1 . THR 97 97 6560 1 . ILE 98 98 6560 1 . ARG 99 99 6560 1 . ALA 100 100 6560 1 . TYR 101 101 6560 1 . ASN 102 102 6560 1 . GLN 103 103 6560 1 . LYS 104 104 6560 1 . TYR 105 105 6560 1 . GLY 106 106 6560 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 6560 _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 $B562 . 9606 . . 'Homon sapiens' Human . . Eukaryota Metazoa Homon sapiens . . . . . . . . . . . . . . . . . . . . . 6560 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 6560 _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 $B562 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6560 _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 'redesigned apocytochrome B562' '[U-15N; U-13C]' . . 1 $B562 . . 1.5 . . mM . . . . 6560 1 2 'Sodium acetate' . . . . . . . 50 . . mM . . . . 6560 1 3 H2O . . . . . . . 92.5 . . % . . . . 6560 1 4 D2O . . . . . . . 7.5 . . % . . . . 6560 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6560 _Sample.ID 2 _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 'redesigned apocytochrome B562' [U-13C] . . 1 $B562 . . 1.5 . . mM . . . . 6560 2 2 'Sodium acetate' . . . . . . . 50 . . mM . . . . 6560 2 3 H2O . . . . . . . 92.5 . . % . . . . 6560 2 4 D2O . . . . . . . 7.5 . . % . . . . 6560 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6560 _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 4.84 . pH 6560 1 pressure 1 . atm 6560 1 temperature 298 . K 6560 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6560 _Software.ID 1 _Software.Name X-PLOR _Software.Version XPLOR-NIH-2.9 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6560 1 'structure solution' 6560 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6560 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6560 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6560 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6560 _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 Bruker DRX . 750 . . . 6560 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 6560 _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 HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 1 5 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 1 6 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 1 7 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6560 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 6560 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6560 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6560 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated 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 6560 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 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_ 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 6560 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _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 6560 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCA(CO)NH' _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 6560 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HBHA(CO)NH' _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 6560 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . . . . . 6560 1 H 1 . . . . . . ppm . . . . . . . . . . . . . 6560 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 6560 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6560 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 . _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 HSQC' . . . 6560 1 2 '3D 13C-separated NOESY' . . . 6560 1 3 '3D 15N-separated NOESY' . . . 6560 1 4 HNHA . . . 6560 1 5 '3D HNCACB' . . . 6560 1 6 '3D CBCA(CO)NH' . . . 6560 1 7 '3D HBHA(CO)NH' . . . 6560 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 4.4200 . . . . . . . . . . . 6560 1 2 . 1 1 1 1 ALA HB1 H 1 1.5200 . . . . . . . . . . . 6560 1 3 . 1 1 1 1 ALA HB2 H 1 1.5200 . . . . . . . . . . . 6560 1 4 . 1 1 1 1 ALA HB3 H 1 1.5200 . . . . . . . . . . . 6560 1 5 . 1 1 1 1 ALA CA C 13 49.2160 . . . . . . . . . . . 6560 1 6 . 1 1 1 1 ALA CB C 13 17.1290 . . . . . . . . . . . 6560 1 7 . 1 1 2 2 ASP H H 1 8.8470 . . . . . . . . . . . 6560 1 8 . 1 1 2 2 ASP HA H 1 4.6100 . . . . . . . . . . . 6560 1 9 . 1 1 2 2 ASP HB2 H 1 2.8100 . . . . . . . . . . . 6560 1 10 . 1 1 2 2 ASP HB3 H 1 2.7600 . . . . . . . . . . . 6560 1 11 . 1 1 2 2 ASP CA C 13 51.5310 . . . . . . . . . . . 6560 1 12 . 1 1 2 2 ASP CB C 13 38.8110 . . . . . . . . . . . 6560 1 13 . 1 1 2 2 ASP N N 15 120.3730 . . . . . . . . . . . 6560 1 14 . 1 1 3 3 LEU H H 1 8.6840 . . . . . . . . . . . 6560 1 15 . 1 1 3 3 LEU HA H 1 3.8900 . . . . . . . . . . . 6560 1 16 . 1 1 3 3 LEU HB2 H 1 1.7800 . . . . . . . . . . . 6560 1 17 . 1 1 3 3 LEU HB3 H 1 1.5000 . . . . . . . . . . . 6560 1 18 . 1 1 3 3 LEU HG H 1 1.3700 . . . . . . . . . . . 6560 1 19 . 1 1 3 3 LEU HD11 H 1 1.0400 . . . . . . . . . . . 6560 1 20 . 1 1 3 3 LEU HD12 H 1 1.0400 . . . . . . . . . . . 6560 1 21 . 1 1 3 3 LEU HD13 H 1 1.0400 . . . . . . . . . . . 6560 1 22 . 1 1 3 3 LEU HD21 H 1 0.6900 . . . . . . . . . . . 6560 1 23 . 1 1 3 3 LEU HD22 H 1 0.6900 . . . . . . . . . . . 6560 1 24 . 1 1 3 3 LEU HD23 H 1 0.6900 . . . . . . . . . . . 6560 1 25 . 1 1 3 3 LEU CA C 13 56.300 . . . . . . . . . . . 6560 1 26 . 1 1 3 3 LEU CB C 13 39.0990 . . . . . . . . . . . 6560 1 27 . 1 1 3 3 LEU CG C 13 25.7800 . . . . . . . . . . . 6560 1 28 . 1 1 3 3 LEU CD1 C 13 23.0600 . . . . . . . . . . . 6560 1 29 . 1 1 3 3 LEU CD2 C 13 20.5400 . . . . . . . . . . . 6560 1 30 . 1 1 3 3 LEU N N 15 123.5320 . . . . . . . . . . . 6560 1 31 . 1 1 4 4 GLU H H 1 8.6230 . . . . . . . . . . . 6560 1 32 . 1 1 4 4 GLU HA H 1 4.3800 . . . . . . . . . . . 6560 1 33 . 1 1 4 4 GLU HB2 H 1 2.1750 . . . . . . . . . . . 6560 1 34 . 1 1 4 4 GLU HB3 H 1 2.1760 . . . . . . . . . . . 6560 1 35 . 1 1 4 4 GLU HG2 H 1 2.5200 . . . . . . . . . . . 6560 1 36 . 1 1 4 4 GLU HG3 H 1 2.4800 . . . . . . . . . . . 6560 1 37 . 1 1 4 4 GLU CA C 13 56.8070 . . . . . . . . . . . 6560 1 38 . 1 1 4 4 GLU CB C 13 26.2360 . . . . . . . . . . . 6560 1 39 . 1 1 4 4 GLU CG C 13 32.8800 . . . . . . . . . . . 6560 1 40 . 1 1 4 4 GLU N N 15 115.9050 . . . . . . . . . . . 6560 1 41 . 1 1 5 5 ASP H H 1 7.6050 . . . . . . . . . . . 6560 1 42 . 1 1 5 5 ASP HA H 1 4.5040 . . . . . . . . . . . 6560 1 43 . 1 1 5 5 ASP HB2 H 1 2.8200 . . . . . . . . . . . 6560 1 44 . 1 1 5 5 ASP HB3 H 1 2.7000 . . . . . . . . . . . 6560 1 45 . 1 1 5 5 ASP CA C 13 54.7800 . . . . . . . . . . . 6560 1 46 . 1 1 5 5 ASP CB C 13 38.3770 . . . . . . . . . . . 6560 1 47 . 1 1 5 5 ASP N N 15 118.7740 . . . . . . . . . . . 6560 1 48 . 1 1 6 6 ASN H H 1 7.8650 . . . . . . . . . . . 6560 1 49 . 1 1 6 6 ASN HA H 1 4.5300 . . . . . . . . . . . 6560 1 50 . 1 1 6 6 ASN HB2 H 1 2.5400 . . . . . . . . . . . 6560 1 51 . 1 1 6 6 ASN HB3 H 1 2.2400 . . . . . . . . . . . 6560 1 52 . 1 1 6 6 ASN HD21 H 1 7.1770 . . . . . . . . . . . 6560 1 53 . 1 1 6 6 ASN HD22 H 1 7.0250 . . . . . . . . . . . 6560 1 54 . 1 1 6 6 ASN CA C 13 54.6300 . . . . . . . . . . . 6560 1 55 . 1 1 6 6 ASN CB C 13 36.4980 . . . . . . . . . . . 6560 1 56 . 1 1 6 6 ASN N N 15 118.7510 . . . . . . . . . . . 6560 1 57 . 1 1 6 6 ASN ND2 N 15 113.1950 . . . . . . . . . . . 6560 1 58 . 1 1 7 7 TRP H H 1 8.7180 . . . . . . . . . . . 6560 1 59 . 1 1 7 7 TRP HA H 1 4.7800 . . . . . . . . . . . 6560 1 60 . 1 1 7 7 TRP HB2 H 1 3.4500 . . . . . . . . . . . 6560 1 61 . 1 1 7 7 TRP HB3 H 1 3.3700 . . . . . . . . . . . 6560 1 62 . 1 1 7 7 TRP HD1 H 1 7.2900 . . . . . . . . . . . 6560 1 63 . 1 1 7 7 TRP HE1 H 1 10.6350 . . . . . . . . . . . 6560 1 64 . 1 1 7 7 TRP HE3 H 1 7.6250 . . . . . . . . . . . 6560 1 65 . 1 1 7 7 TRP HZ2 H 1 7.6200 . . . . . . . . . . . 6560 1 66 . 1 1 7 7 TRP HZ3 H 1 7.2930 . . . . . . . . . . . 6560 1 67 . 1 1 7 7 TRP HH2 H 1 6.8800 . . . . . . . . . . . 6560 1 68 . 1 1 7 7 TRP CA C 13 58.1890 . . . . . . . . . . . 6560 1 69 . 1 1 7 7 TRP CB C 13 27.9730 . . . . . . . . . . . 6560 1 70 . 1 1 7 7 TRP N N 15 119.6220 . . . . . . . . . . . 6560 1 71 . 1 1 8 8 GLU H H 1 8.0150 . . . . . . . . . . . 6560 1 72 . 1 1 8 8 GLU HA H 1 4.2100 . . . . . . . . . . . 6560 1 73 . 1 1 8 8 GLU HB2 H 1 2.2900 . . . . . . . . . . . 6560 1 74 . 1 1 8 8 GLU HB3 H 1 2.1000 . . . . . . . . . . . 6560 1 75 . 1 1 8 8 GLU HG2 H 1 2.5900 . . . . . . . . . . . 6560 1 76 . 1 1 8 8 GLU HG3 H 1 2.5100 . . . . . . . . . . . 6560 1 77 . 1 1 8 8 GLU CA C 13 57.4570 . . . . . . . . . . . 6560 1 78 . 1 1 8 8 GLU CB C 13 26.1630 . . . . . . . . . . . 6560 1 79 . 1 1 8 8 GLU CG C 13 34.3900 . . . . . . . . . . . 6560 1 80 . 1 1 8 8 GLU N N 15 118.9800 . . . . . . . . . . . 6560 1 81 . 1 1 9 9 THR H H 1 8.5740 . . . . . . . . . . . 6560 1 82 . 1 1 9 9 THR HA H 1 4.0400 . . . . . . . . . . . 6560 1 83 . 1 1 9 9 THR HB H 1 4.2600 . . . . . . . . . . . 6560 1 84 . 1 1 9 9 THR HG21 H 1 1.1300 . . . . . . . . . . . 6560 1 85 . 1 1 9 9 THR HG22 H 1 1.1300 . . . . . . . . . . . 6560 1 86 . 1 1 9 9 THR HG23 H 1 1.1300 . . . . . . . . . . . 6560 1 87 . 1 1 9 9 THR CA C 13 64.540 . . . . . . . . . . . 6560 1 88 . 1 1 9 9 THR CB C 13 65.9130 . . . . . . . . . . . 6560 1 89 . 1 1 9 9 THR CG2 C 13 18.9800 . . . . . . . . . . . 6560 1 90 . 1 1 9 9 THR N N 15 117.7170 . . . . . . . . . . . 6560 1 91 . 1 1 10 10 LEU H H 1 8.3840 . . . . . . . . . . . 6560 1 92 . 1 1 10 10 LEU HA H 1 4.0600 . . . . . . . . . . . 6560 1 93 . 1 1 10 10 LEU HB2 H 1 2.4200 . . . . . . . . . . . 6560 1 94 . 1 1 10 10 LEU HB3 H 1 1.4300 . . . . . . . . . . . 6560 1 95 . 1 1 10 10 LEU HG H 1 1.9400 . . . . . . . . . . . 6560 1 96 . 1 1 10 10 LEU HD11 H 1 0.9200 . . . . . . . . . . . 6560 1 97 . 1 1 10 10 LEU HD12 H 1 0.9200 . . . . . . . . . . . 6560 1 98 . 1 1 10 10 LEU HD13 H 1 0.9200 . . . . . . . . . . . 6560 1 99 . 1 1 10 10 LEU HD21 H 1 1.0200 . . . . . . . . . . . 6560 1 100 . 1 1 10 10 LEU HD22 H 1 1.0200 . . . . . . . . . . . 6560 1 101 . 1 1 10 10 LEU HD23 H 1 1.0200 . . . . . . . . . . . 6560 1 102 . 1 1 10 10 LEU CA C 13 57.3170 . . . . . . . . . . . 6560 1 103 . 1 1 10 10 LEU CB C 13 39.1010 . . . . . . . . . . . 6560 1 104 . 1 1 10 10 LEU CG C 13 25.5800 . . . . . . . . . . . 6560 1 105 . 1 1 10 10 LEU CD1 C 13 23.0600 . . . . . . . . . . . 6560 1 106 . 1 1 10 10 LEU CD2 C 13 22.4600 . . . . . . . . . . . 6560 1 107 . 1 1 10 10 LEU N N 15 122.7940 . . . . . . . . . . . 6560 1 108 . 1 1 11 11 ASN H H 1 8.3130 . . . . . . . . . . . 6560 1 109 . 1 1 11 11 ASN HA H 1 4.5000 . . . . . . . . . . . 6560 1 110 . 1 1 11 11 ASN HB2 H 1 2.9200 . . . . . . . . . . . 6560 1 111 . 1 1 11 11 ASN HB3 H 1 2.8170 . . . . . . . . . . . 6560 1 112 . 1 1 11 11 ASN HD21 H 1 7.4640 . . . . . . . . . . . 6560 1 113 . 1 1 11 11 ASN HD22 H 1 6.7220 . . . . . . . . . . . 6560 1 114 . 1 1 11 11 ASN CA C 13 54.5660 . . . . . . . . . . . 6560 1 115 . 1 1 11 11 ASN CB C 13 36.8610 . . . . . . . . . . . 6560 1 116 . 1 1 11 11 ASN N N 15 116.3510 . . . . . . . . . . . 6560 1 117 . 1 1 11 11 ASN ND2 N 15 111.9760 . . . . . . . . . . . 6560 1 118 . 1 1 12 12 ASP H H 1 9.4140 . . . . . . . . . . . 6560 1 119 . 1 1 12 12 ASP HA H 1 4.4200 . . . . . . . . . . . 6560 1 120 . 1 1 12 12 ASP HB2 H 1 2.8000 . . . . . . . . . . . 6560 1 121 . 1 1 12 12 ASP HB3 H 1 2.6800 . . . . . . . . . . . 6560 1 122 . 1 1 12 12 ASP CA C 13 55.1450 . . . . . . . . . . . 6560 1 123 . 1 1 12 12 ASP CB C 13 37.7990 . . . . . . . . . . . 6560 1 124 . 1 1 12 12 ASP N N 15 120.5630 . . . . . . . . . . . 6560 1 125 . 1 1 13 13 ASN H H 1 7.8170 . . . . . . . . . . . 6560 1 126 . 1 1 13 13 ASN HA H 1 4.5300 . . . . . . . . . . . 6560 1 127 . 1 1 13 13 ASN HB2 H 1 2.8300 . . . . . . . . . . . 6560 1 128 . 1 1 13 13 ASN HB3 H 1 2.7000 . . . . . . . . . . . 6560 1 129 . 1 1 13 13 ASN HD21 H 1 7.6630 . . . . . . . . . . . 6560 1 130 . 1 1 13 13 ASN HD22 H 1 7.2080 . . . . . . . . . . . 6560 1 131 . 1 1 13 13 ASN CA C 13 55.5040 . . . . . . . . . . . 6560 1 132 . 1 1 13 13 ASN CB C 13 38.3050 . . . . . . . . . . . 6560 1 133 . 1 1 13 13 ASN N N 15 116.6930 . . . . . . . . . . . 6560 1 134 . 1 1 13 13 ASN ND2 N 15 113.2070 . . . . . . . . . . . 6560 1 135 . 1 1 14 14 LEU H H 1 7.8170 . . . . . . . . . . . 6560 1 136 . 1 1 14 14 LEU HA H 1 4.0800 . . . . . . . . . . . 6560 1 137 . 1 1 14 14 LEU HB2 H 1 2.0800 . . . . . . . . . . . 6560 1 138 . 1 1 14 14 LEU HB3 H 1 1.3370 . . . . . . . . . . . 6560 1 139 . 1 1 14 14 LEU HG H 1 1.8900 . . . . . . . . . . . 6560 1 140 . 1 1 14 14 LEU HD11 H 1 0.8200 . . . . . . . . . . . 6560 1 141 . 1 1 14 14 LEU HD12 H 1 0.8200 . . . . . . . . . . . 6560 1 142 . 1 1 14 14 LEU HD13 H 1 0.8200 . . . . . . . . . . . 6560 1 143 . 1 1 14 14 LEU HD21 H 1 0.7800 . . . . . . . . . . . 6560 1 144 . 1 1 14 14 LEU HD22 H 1 0.7800 . . . . . . . . . . . 6560 1 145 . 1 1 14 14 LEU HD23 H 1 0.7800 . . . . . . . . . . . 6560 1 146 . 1 1 14 14 LEU CA C 13 56.2290 . . . . . . . . . . . 6560 1 147 . 1 1 14 14 LEU CB C 13 39.1010 . . . . . . . . . . . 6560 1 148 . 1 1 14 14 LEU CG C 13 25.3300 . . . . . . . . . . . 6560 1 149 . 1 1 14 14 LEU CD1 C 13 23.0600 . . . . . . . . . . . 6560 1 150 . 1 1 14 14 LEU CD2 C 13 22.2500 . . . . . . . . . . . 6560 1 151 . 1 1 14 14 LEU N N 15 122.1220 . . . . . . . . . . . 6560 1 152 . 1 1 15 15 LYS H H 1 7.2420 . . . . . . . . . . . 6560 1 153 . 1 1 15 15 LYS HA H 1 4.0900 . . . . . . . . . . . 6560 1 154 . 1 1 15 15 LYS HB2 H 1 1.9500 . . . . . . . . . . . 6560 1 155 . 1 1 15 15 LYS HG2 H 1 1.6500 . . . . . . . . . . . 6560 1 156 . 1 1 15 15 LYS HG3 H 1 1.6400 . . . . . . . . . . . 6560 1 157 . 1 1 15 15 LYS HD2 H 1 1.7200 . . . . . . . . . . . 6560 1 158 . 1 1 15 15 LYS HE2 H 1 2.9800 . . . . . . . . . . . 6560 1 159 . 1 1 15 15 LYS CA C 13 56.9510 . . . . . . . . . . . 6560 1 160 . 1 1 15 15 LYS CB C 13 29.5660 . . . . . . . . . . . 6560 1 161 . 1 1 15 15 LYS CG C 13 23.0600 . . . . . . . . . . . 6560 1 162 . 1 1 15 15 LYS CD C 13 27.3400 . . . . . . . . . . . 6560 1 163 . 1 1 15 15 LYS CE C 13 39.9300 . . . . . . . . . . . 6560 1 164 . 1 1 15 15 LYS N N 15 118.3331590 . . . . . . . . . . . 6560 1 165 . 1 1 16 16 VAL H H 1 7.2270 . . . . . . . . . . . 6560 1 166 . 1 1 16 16 VAL HA H 1 3.5500 . . . . . . . . . . . 6560 1 167 . 1 1 16 16 VAL HB H 1 2.3800 . . . . . . . . . . . 6560 1 168 . 1 1 16 16 VAL HG11 H 1 1.0800 . . . . . . . . . . . 6560 1 169 . 1 1 16 16 VAL HG12 H 1 1.0800 . . . . . . . . . . . 6560 1 170 . 1 1 16 16 VAL HG13 H 1 1.0800 . . . . . . . . . . . 6560 1 171 . 1 1 16 16 VAL HG21 H 1 0.9100 . . . . . . . . . . . 6560 1 172 . 1 1 16 16 VAL HG22 H 1 0.9100 . . . . . . . . . . . 6560 1 173 . 1 1 16 16 VAL HG23 H 1 0.9100 . . . . . . . . . . . 6560 1 174 . 1 1 16 16 VAL CA C 13 63.8170 . . . . . . . . . . . 6560 1 175 . 1 1 16 16 VAL CB C 13 29.4880 . . . . . . . . . . . 6560 1 176 . 1 1 16 16 VAL CG1 C 13 18.8300 . . . . . . . . . . . 6560 1 177 . 1 1 16 16 VAL CG2 C 13 18.2500 . . . . . . . . . . . 6560 1 178 . 1 1 16 16 VAL N N 15 118.5740 . . . . . . . . . . . 6560 1 179 . 1 1 17 17 ILE H H 1 7.8770 . . . . . . . . . . . 6560 1 180 . 1 1 17 17 ILE HA H 1 3.3950 . . . . . . . . . . . 6560 1 181 . 1 1 17 17 ILE HB H 1 2.0210 . . . . . . . . . . . 6560 1 182 . 1 1 17 17 ILE HG12 H 1 1.5400 . . . . . . . . . . . 6560 1 183 . 1 1 17 17 ILE HG13 H 1 1.5400 . . . . . . . . . . . 6560 1 184 . 1 1 17 17 ILE HG21 H 1 0.8900 . . . . . . . . . . . 6560 1 185 . 1 1 17 17 ILE HG22 H 1 0.8900 . . . . . . . . . . . 6560 1 186 . 1 1 17 17 ILE HG23 H 1 0.8900 . . . . . . . . . . . 6560 1 187 . 1 1 17 17 ILE HD11 H 1 0.8400 . . . . . . . . . . . 6560 1 188 . 1 1 17 17 ILE HD12 H 1 0.8400 . . . . . . . . . . . 6560 1 189 . 1 1 17 17 ILE HD13 H 1 0.8400 . . . . . . . . . . . 6560 1 190 . 1 1 17 17 ILE CA C 13 64.0340 . . . . . . . . . . . 6560 1 191 . 1 1 17 17 ILE CB C 13 36.0650 . . . . . . . . . . . 6560 1 192 . 1 1 17 17 ILE CG1 C 13 27.9100 . . . . . . . . . . . 6560 1 193 . 1 1 17 17 ILE CG2 C 13 15.2100 . . . . . . . . . . . 6560 1 194 . 1 1 17 17 ILE CD1 C 13 13.4000 . . . . . . . . . . . 6560 1 195 . 1 1 17 17 ILE N N 15 118.6010 . . . . . . . . . . . 6560 1 196 . 1 1 18 18 GLU H H 1 7.8600 . . . . . . . . . . . 6560 1 197 . 1 1 18 18 GLU HA H 1 3.9420 . . . . . . . . . . . 6560 1 198 . 1 1 18 18 GLU HB2 H 1 2.0600 . . . . . . . . . . . 6560 1 199 . 1 1 18 18 GLU HB3 H 1 2.0600 . . . . . . . . . . . 6560 1 200 . 1 1 18 18 GLU HG2 H 1 2.3700 . . . . . . . . . . . 6560 1 201 . 1 1 18 18 GLU HG3 H 1 2.3000 . . . . . . . . . . . 6560 1 202 . 1 1 18 18 GLU CA C 13 56.8070 . . . . . . . . . . . 6560 1 203 . 1 1 18 18 GLU CB C 13 27.3210 . . . . . . . . . . . 6560 1 204 . 1 1 18 18 GLU CG C 13 32.7800 . . . . . . . . . . . 6560 1 205 . 1 1 18 18 GLU N N 15 117.7210 . . . . . . . . . . . 6560 1 206 . 1 1 19 19 LYS H H 1 7.1340 . . . . . . . . . . . 6560 1 207 . 1 1 19 19 LYS HA H 1 4.4230 . . . . . . . . . . . 6560 1 208 . 1 1 19 19 LYS HB2 H 1 1.9600 . . . . . . . . . . . 6560 1 209 . 1 1 19 19 LYS HB3 H 1 1.7600 . . . . . . . . . . . 6560 1 210 . 1 1 19 19 LYS HG2 H 1 1.5100 . . . . . . . . . . . 6560 1 211 . 1 1 19 19 LYS HD2 H 1 1.6400 . . . . . . . . . . . 6560 1 212 . 1 1 19 19 LYS HE2 H 1 2.9700 . . . . . . . . . . . 6560 1 213 . 1 1 19 19 LYS CA C 13 52.9760 . . . . . . . . . . . 6560 1 214 . 1 1 19 19 LYS CB C 13 30.9330 . . . . . . . . . . . 6560 1 215 . 1 1 19 19 LYS CG C 13 22.6100 . . . . . . . . . . . 6560 1 216 . 1 1 19 19 LYS CD C 13 27.1400 . . . . . . . . . . . 6560 1 217 . 1 1 19 19 LYS CE C 13 40.4800 . . . . . . . . . . . 6560 1 218 . 1 1 19 19 LYS N N 15 114.2410 . . . . . . . . . . . 6560 1 219 . 1 1 20 20 ALA H H 1 7.2550 . . . . . . . . . . . 6560 1 220 . 1 1 20 20 ALA HA H 1 4.1300 . . . . . . . . . . . 6560 1 221 . 1 1 20 20 ALA HB1 H 1 1.4600 . . . . . . . . . . . 6560 1 222 . 1 1 20 20 ALA HB2 H 1 1.4600 . . . . . . . . . . . 6560 1 223 . 1 1 20 20 ALA HB3 H 1 1.4600 . . . . . . . . . . . 6560 1 224 . 1 1 20 20 ALA CA C 13 51.0970 . . . . . . . . . . . 6560 1 225 . 1 1 20 20 ALA CB C 13 18.9360 . . . . . . . . . . . 6560 1 226 . 1 1 20 20 ALA N N 15 123.1700 . . . . . . . . . . . 6560 1 227 . 1 1 21 21 ASP H H 1 8.7460 . . . . . . . . . . . 6560 1 228 . 1 1 21 21 ASP HA H 1 4.8100 . . . . . . . . . . . 6560 1 229 . 1 1 21 21 ASP HB2 H 1 2.8500 . . . . . . . . . . . 6560 1 230 . 1 1 21 21 ASP HB3 H 1 2.6500 . . . . . . . . . . . 6560 1 231 . 1 1 21 21 ASP CA C 13 51.2470 . . . . . . . . . . . 6560 1 232 . 1 1 21 21 ASP CB C 13 40.6180 . . . . . . . . . . . 6560 1 233 . 1 1 21 21 ASP N N 15 116.3560 . . . . . . . . . . . 6560 1 234 . 1 1 22 22 ASN H H 1 7.6220 . . . . . . . . . . . 6560 1 235 . 1 1 22 22 ASN HA H 1 4.9400 . . . . . . . . . . . 6560 1 236 . 1 1 22 22 ASN HB2 H 1 2.9600 . . . . . . . . . . . 6560 1 237 . 1 1 22 22 ASN HB3 H 1 2.9080 . . . . . . . . . . . 6560 1 238 . 1 1 22 22 ASN HD21 H 1 7.6790 . . . . . . . . . . . 6560 1 239 . 1 1 22 22 ASN HD22 H 1 6.8710 . . . . . . . . . . . 6560 1 240 . 1 1 22 22 ASN CA C 13 49.9410 . . . . . . . . . . . 6560 1 241 . 1 1 22 22 ASN CB C 13 39.2450 . . . . . . . . . . . 6560 1 242 . 1 1 22 22 ASN N N 15 112.8950 . . . . . . . . . . . 6560 1 243 . 1 1 22 22 ASN ND2 N 15 114.880 . . . . . . . . . . . 6560 1 244 . 1 1 23 23 ALA H H 1 9.0160 . . . . . . . . . . . 6560 1 245 . 1 1 23 23 ALA HA H 1 3.7700 . . . . . . . . . . . 6560 1 246 . 1 1 23 23 ALA HB1 H 1 1.5100 . . . . . . . . . . . 6560 1 247 . 1 1 23 23 ALA HB2 H 1 1.5100 . . . . . . . . . . . 6560 1 248 . 1 1 23 23 ALA HB3 H 1 1.5100 . . . . . . . . . . . 6560 1 249 . 1 1 23 23 ALA CA C 13 53.1210 . . . . . . . . . . . 6560 1 250 . 1 1 23 23 ALA CB C 13 16.4730 . . . . . . . . . . . 6560 1 251 . 1 1 23 23 ALA N N 15 121.7810 . . . . . . . . . . . 6560 1 252 . 1 1 24 24 ALA H H 1 8.4240 . . . . . . . . . . . 6560 1 253 . 1 1 24 24 ALA HA H 1 4.0100 . . . . . . . . . . . 6560 1 254 . 1 1 24 24 ALA HB1 H 1 1.4700 . . . . . . . . . . . 6560 1 255 . 1 1 24 24 ALA HB2 H 1 1.4700 . . . . . . . . . . . 6560 1 256 . 1 1 24 24 ALA HB3 H 1 1.4700 . . . . . . . . . . . 6560 1 257 . 1 1 24 24 ALA CA C 13 53.5530 . . . . . . . . . . . 6560 1 258 . 1 1 24 24 ALA CB C 13 15.2530 . . . . . . . . . . . 6560 1 259 . 1 1 25 25 GLN H H 1 8.0190 . . . . . . . . . . . 6560 1 260 . 1 1 25 25 GLN HA H 1 4.0980 . . . . . . . . . . . 6560 1 261 . 1 1 25 25 GLN HB2 H 1 1.900 . . . . . . . . . . . 6560 1 262 . 1 1 25 25 GLN HG2 H 1 2.3840 . . . . . . . . . . . 6560 1 263 . 1 1 25 25 GLN HG3 H 1 2.3200 . . . . . . . . . . . 6560 1 264 . 1 1 25 25 GLN HE21 H 1 7.3670 . . . . . . . . . . . 6560 1 265 . 1 1 25 25 GLN HE22 H 1 7.0460 . . . . . . . . . . . 6560 1 266 . 1 1 25 25 GLN CA C 13 56.2290 . . . . . . . . . . . 6560 1 267 . 1 1 25 25 GLN CB C 13 27.4650 . . . . . . . . . . . 6560 1 268 . 1 1 25 25 GLN CG C 13 31.6700 . . . . . . . . . . . 6560 1 269 . 1 1 25 25 GLN N N 15 117.0710 . . . . . . . . . . . 6560 1 270 . 1 1 25 25 GLN NE2 N 15 111.0110 . . . . . . . . . . . 6560 1 271 . 1 1 26 26 VAL H H 1 7.1080 . . . . . . . . . . . 6560 1 272 . 1 1 26 26 VAL HA H 1 3.4730 . . . . . . . . . . . 6560 1 273 . 1 1 26 26 VAL HB H 1 2.1200 . . . . . . . . . . . 6560 1 274 . 1 1 26 26 VAL HG11 H 1 1.0500 . . . . . . . . . . . 6560 1 275 . 1 1 26 26 VAL HG12 H 1 1.0500 . . . . . . . . . . . 6560 1 276 . 1 1 26 26 VAL HG13 H 1 1.0500 . . . . . . . . . . . 6560 1 277 . 1 1 26 26 VAL HG21 H 1 0.8600 . . . . . . . . . . . 6560 1 278 . 1 1 26 26 VAL HG22 H 1 0.8600 . . . . . . . . . . . 6560 1 279 . 1 1 26 26 VAL HG23 H 1 0.8600 . . . . . . . . . . . 6560 1 280 . 1 1 26 26 VAL CA C 13 64.5470 . . . . . . . . . . . 6560 1 281 . 1 1 26 26 VAL CB C 13 29.5640 . . . . . . . . . . . 6560 1 282 . 1 1 26 26 VAL CG1 C 13 19.4400 . . . . . . . . . . . 6560 1 283 . 1 1 26 26 VAL CG2 C 13 18.8300 . . . . . . . . . . . 6560 1 284 . 1 1 26 26 VAL N N 15 117.7120 . . . . . . . . . . . 6560 1 285 . 1 1 27 27 LYS H H 1 8.7350 . . . . . . . . . . . 6560 1 286 . 1 1 27 27 LYS HA H 1 3.7100 . . . . . . . . . . . 6560 1 287 . 1 1 27 27 LYS HB2 H 1 1.7600 . . . . . . . . . . . 6560 1 288 . 1 1 27 27 LYS HB3 H 1 1.7500 . . . . . . . . . . . 6560 1 289 . 1 1 27 27 LYS HG2 H 1 1.4800 . . . . . . . . . . . 6560 1 290 . 1 1 27 27 LYS HD2 H 1 1.6510 . . . . . . . . . . . 6560 1 291 . 1 1 27 27 LYS HE2 H 1 2.9000 . . . . . . . . . . . 6560 1 292 . 1 1 27 27 LYS CA C 13 58.1890 . . . . . . . . . . . 6560 1 293 . 1 1 27 27 LYS CB C 13 30.2110 . . . . . . . . . . . 6560 1 294 . 1 1 27 27 LYS CG C 13 22.6120 . . . . . . . . . . . 6560 1 295 . 1 1 27 27 LYS CD C 13 28.0500 . . . . . . . . . . . 6560 1 296 . 1 1 27 27 LYS CE C 13 39.9300 . . . . . . . . . . . 6560 1 297 . 1 1 27 27 LYS N N 15 119.3640 . . . . . . . . . . . 6560 1 298 . 1 1 28 28 ASP H H 1 8.2390 . . . . . . . . . . . 6560 1 299 . 1 1 28 28 ASP HA H 1 4.3200 . . . . . . . . . . . 6560 1 300 . 1 1 28 28 ASP HB2 H 1 2.7400 . . . . . . . . . . . 6560 1 301 . 1 1 28 28 ASP HB3 H 1 2.5800 . . . . . . . . . . . 6560 1 302 . 1 1 28 28 ASP CA C 13 55.3610 . . . . . . . . . . . 6560 1 303 . 1 1 28 28 ASP CB C 13 38.9510 . . . . . . . . . . . 6560 1 304 . 1 1 28 28 ASP N N 15 120.6320 . . . . . . . . . . . 6560 1 305 . 1 1 29 29 ALA H H 1 7.5860 . . . . . . . . . . . 6560 1 306 . 1 1 29 29 ALA HA H 1 4.1700 . . . . . . . . . . . 6560 1 307 . 1 1 29 29 ALA HB1 H 1 1.5300 . . . . . . . . . . . 6560 1 308 . 1 1 29 29 ALA HB2 H 1 1.5300 . . . . . . . . . . . 6560 1 309 . 1 1 29 29 ALA HB3 H 1 1.5300 . . . . . . . . . . . 6560 1 310 . 1 1 29 29 ALA CA C 13 52.7580 . . . . . . . . . . . 6560 1 311 . 1 1 29 29 ALA CB C 13 17.2740 . . . . . . . . . . . 6560 1 312 . 1 1 29 29 ALA N N 15 121.3600 . . . . . . . . . . . 6560 1 313 . 1 1 30 30 LEU H H 1 8.5140 . . . . . . . . . . . 6560 1 314 . 1 1 30 30 LEU HA H 1 4.0600 . . . . . . . . . . . 6560 1 315 . 1 1 30 30 LEU HB2 H 1 2.0600 . . . . . . . . . . . 6560 1 316 . 1 1 30 30 LEU HB3 H 1 1.3100 . . . . . . . . . . . 6560 1 317 . 1 1 30 30 LEU HG H 1 1.8700 . . . . . . . . . . . 6560 1 318 . 1 1 30 30 LEU HD11 H 1 0.9240 . . . . . . . . . . . 6560 1 319 . 1 1 30 30 LEU HD12 H 1 0.9240 . . . . . . . . . . . 6560 1 320 . 1 1 30 30 LEU HD13 H 1 0.9240 . . . . . . . . . . . 6560 1 321 . 1 1 30 30 LEU HD21 H 1 0.7000 . . . . . . . . . . . 6560 1 322 . 1 1 30 30 LEU HD22 H 1 0.7000 . . . . . . . . . . . 6560 1 323 . 1 1 30 30 LEU HD23 H 1 0.7000 . . . . . . . . . . . 6560 1 324 . 1 1 30 30 LEU CA C 13 55.6510 . . . . . . . . . . . 6560 1 325 . 1 1 30 30 LEU CB C 13 40.4020 . . . . . . . . . . . 6560 1 326 . 1 1 30 30 LEU CG C 13 25.0200 . . . . . . . . . . . 6560 1 327 . 1 1 30 30 LEU CD1 C 13 23.0600 . . . . . . . . . . . 6560 1 328 . 1 1 30 30 LEU CD2 C 13 24.4200 . . . . . . . . . . . 6560 1 329 . 1 1 30 30 LEU N N 15 117.7700 . . . . . . . . . . . 6560 1 330 . 1 1 31 31 THR H H 1 8.3330 . . . . . . . . . . . 6560 1 331 . 1 1 31 31 THR HA H 1 3.7610 . . . . . . . . . . . 6560 1 332 . 1 1 31 31 THR HB H 1 4.4720 . . . . . . . . . . . 6560 1 333 . 1 1 31 31 THR HG21 H 1 1.2700 . . . . . . . . . . . 6560 1 334 . 1 1 31 31 THR HG22 H 1 1.2700 . . . . . . . . . . . 6560 1 335 . 1 1 31 31 THR HG23 H 1 1.2700 . . . . . . . . . . . 6560 1 336 . 1 1 31 31 THR CA C 13 65.4850 . . . . . . . . . . . 6560 1 337 . 1 1 31 31 THR CB C 13 66.9970 . . . . . . . . . . . 6560 1 338 . 1 1 31 31 THR CG2 C 13 18.0820 . . . . . . . . . . . 6560 1 339 . 1 1 31 31 THR N N 15 116.3500 . . . . . . . . . . . 6560 1 340 . 1 1 32 32 LYS H H 1 7.7360 . . . . . . . . . . . 6560 1 341 . 1 1 32 32 LYS HA H 1 4.0500 . . . . . . . . . . . 6560 1 342 . 1 1 32 32 LYS HB2 H 1 1.7200 . . . . . . . . . . . 6560 1 343 . 1 1 32 32 LYS HB3 H 1 1.7200 . . . . . . . . . . . 6560 1 344 . 1 1 32 32 LYS HG2 H 1 1.4600 . . . . . . . . . . . 6560 1 345 . 1 1 32 32 LYS HG3 H 1 1.4000 . . . . . . . . . . . 6560 1 346 . 1 1 32 32 LYS HD2 H 1 1.6300 . . . . . . . . . . . 6560 1 347 . 1 1 32 32 LYS HE2 H 1 2.9800 . . . . . . . . . . . 6560 1 348 . 1 1 32 32 LYS HZ1 H 1 6.9500 . . . . . . . . . . . 6560 1 349 . 1 1 32 32 LYS HZ2 H 1 6.9500 . . . . . . . . . . . 6560 1 350 . 1 1 32 32 LYS HZ3 H 1 6.9500 . . . . . . . . . . . 6560 1 351 . 1 1 32 32 LYS CA C 13 57.4570 . . . . . . . . . . . 6560 1 352 . 1 1 32 32 LYS CB C 13 30.3530 . . . . . . . . . . . 6560 1 353 . 1 1 32 32 LYS CG C 13 23.2500 . . . . . . . . . . . 6560 1 354 . 1 1 32 32 LYS CD C 13 28.0700 . . . . . . . . . . . 6560 1 355 . 1 1 32 32 LYS CE C 13 40.2830 . . . . . . . . . . . 6560 1 356 . 1 1 32 32 LYS N N 15 122.9820 . . . . . . . . . . . 6560 1 357 . 1 1 33 33 MET H H 1 8.3630 . . . . . . . . . . . 6560 1 358 . 1 1 33 33 MET HA H 1 3.7300 . . . . . . . . . . . 6560 1 359 . 1 1 33 33 MET HB2 H 1 2.0000 . . . . . . . . . . . 6560 1 360 . 1 1 33 33 MET HB3 H 1 1.9300 . . . . . . . . . . . 6560 1 361 . 1 1 33 33 MET HG2 H 1 2.3800 . . . . . . . . . . . 6560 1 362 . 1 1 33 33 MET HE1 H 1 2.3600 . . . . . . . . . . . 6560 1 363 . 1 1 33 33 MET HE2 H 1 2.3600 . . . . . . . . . . . 6560 1 364 . 1 1 33 33 MET HE3 H 1 2.3600 . . . . . . . . . . . 6560 1 365 . 1 1 33 33 MET CA C 13 57.6740 . . . . . . . . . . . 6560 1 366 . 1 1 33 33 MET CB C 13 31.1520 . . . . . . . . . . . 6560 1 367 . 1 1 33 33 MET CG C 13 31.2200 . . . . . . . . . . . 6560 1 368 . 1 1 33 33 MET N N 15 118.5280 . . . . . . . . . . . 6560 1 369 . 1 1 34 34 ARG H H 1 8.5560 . . . . . . . . . . . 6560 1 370 . 1 1 34 34 ARG HA H 1 3.6000 . . . . . . . . . . . 6560 1 371 . 1 1 34 34 ARG HB2 H 1 2.0100 . . . . . . . . . . . 6560 1 372 . 1 1 34 34 ARG HG2 H 1 1.9200 . . . . . . . . . . . 6560 1 373 . 1 1 34 34 ARG HD2 H 1 3.2400 . . . . . . . . . . . 6560 1 374 . 1 1 34 34 ARG HD3 H 1 2.7800 . . . . . . . . . . . 6560 1 375 . 1 1 34 34 ARG HE H 1 7.7900 . . . . . . . . . . . 6560 1 376 . 1 1 34 34 ARG HH11 H 1 6.7430 . . . . . . . . . . . 6560 1 377 . 1 1 34 34 ARG HH12 H 1 6.7430 . . . . . . . . . . . 6560 1 378 . 1 1 34 34 ARG CA C 13 58.1800 . . . . . . . . . . . 6560 1 379 . 1 1 34 34 ARG CB C 13 28.250 . . . . . . . . . . . 6560 1 380 . 1 1 34 34 ARG CG C 13 27.3400 . . . . . . . . . . . 6560 1 381 . 1 1 34 34 ARG CD C 13 40.287500 . . . . . . . . . . . 6560 1 382 . 1 1 34 34 ARG N N 15 120.7130 . . . . . . . . . . . 6560 1 383 . 1 1 35 35 ALA H H 1 7.2010 . . . . . . . . . . . 6560 1 384 . 1 1 35 35 ALA HA H 1 4.0400 . . . . . . . . . . . 6560 1 385 . 1 1 35 35 ALA HB1 H 1 1.4400 . . . . . . . . . . . 6560 1 386 . 1 1 35 35 ALA HB2 H 1 1.4400 . . . . . . . . . . . 6560 1 387 . 1 1 35 35 ALA HB3 H 1 1.4400 . . . . . . . . . . . 6560 1 388 . 1 1 35 35 ALA CA C 13 52.6150 . . . . . . . . . . . 6560 1 389 . 1 1 35 35 ALA CB C 13 16.0450 . . . . . . . . . . . 6560 1 390 . 1 1 35 35 ALA N N 15 117.2800 . . . . . . . . . . . 6560 1 391 . 1 1 36 36 ALA H H 1 7.6450 . . . . . . . . . . . 6560 1 392 . 1 1 36 36 ALA HA H 1 4.0600 . . . . . . . . . . . 6560 1 393 . 1 1 36 36 ALA HB1 H 1 1.5000 . . . . . . . . . . . 6560 1 394 . 1 1 36 36 ALA HB2 H 1 1.5000 . . . . . . . . . . . 6560 1 395 . 1 1 36 36 ALA HB3 H 1 1.5000 . . . . . . . . . . . 6560 1 396 . 1 1 36 36 ALA CA C 13 52.3980 . . . . . . . . . . . 6560 1 397 . 1 1 36 36 ALA CB C 13 15.9010 . . . . . . . . . . . 6560 1 398 . 1 1 36 36 ALA N N 15 120.5460 . . . . . . . . . . . 6560 1 399 . 1 1 37 37 ALA H H 1 8.4830 . . . . . . . . . . . 6560 1 400 . 1 1 37 37 ALA HA H 1 3.7400 . . . . . . . . . . . 6560 1 401 . 1 1 37 37 ALA HB1 H 1 1.4400 . . . . . . . . . . . 6560 1 402 . 1 1 37 37 ALA HB2 H 1 1.4400 . . . . . . . . . . . 6560 1 403 . 1 1 37 37 ALA HB3 H 1 1.4400 . . . . . . . . . . . 6560 1 404 . 1 1 37 37 ALA CA C 13 52.3260 . . . . . . . . . . . 6560 1 405 . 1 1 37 37 ALA CB C 13 16.4790 . . . . . . . . . . . 6560 1 406 . 1 1 37 37 ALA N N 15 120.1190 . . . . . . . . . . . 6560 1 407 . 1 1 38 38 LEU H H 1 7.6610 . . . . . . . . . . . 6560 1 408 . 1 1 38 38 LEU HA H 1 3.8700 . . . . . . . . . . . 6560 1 409 . 1 1 38 38 LEU HB2 H 1 1.7700 . . . . . . . . . . . 6560 1 410 . 1 1 38 38 LEU HB3 H 1 1.3600 . . . . . . . . . . . 6560 1 411 . 1 1 38 38 LEU HG H 1 1.5500 . . . . . . . . . . . 6560 1 412 . 1 1 38 38 LEU HD11 H 1 0.8800 . . . . . . . . . . . 6560 1 413 . 1 1 38 38 LEU HD12 H 1 0.8800 . . . . . . . . . . . 6560 1 414 . 1 1 38 38 LEU HD13 H 1 0.8800 . . . . . . . . . . . 6560 1 415 . 1 1 38 38 LEU HD21 H 1 0.86000 . . . . . . . . . . . 6560 1 416 . 1 1 38 38 LEU HD22 H 1 0.86000 . . . . . . . . . . . 6560 1 417 . 1 1 38 38 LEU HD23 H 1 0.86000 . . . . . . . . . . . 6560 1 418 . 1 1 38 38 LEU CA C 13 55.0110 . . . . . . . . . . . 6560 1 419 . 1 1 38 38 LEU CB C 13 39.4620 . . . . . . . . . . . 6560 1 420 . 1 1 38 38 LEU CG C 13 24.8700 . . . . . . . . . . . 6560 1 421 . 1 1 38 38 LEU CD1 C 13 20.3400 . . . . . . . . . . . 6560 1 422 . 1 1 38 38 LEU CD2 C 13 20.3500 . . . . . . . . . . . 6560 1 423 . 1 1 38 38 LEU N N 15 115.6610 . . . . . . . . . . . 6560 1 424 . 1 1 39 39 ASP H H 1 7.6350 . . . . . . . . . . . 6560 1 425 . 1 1 39 39 ASP HA H 1 4.2500 . . . . . . . . . . . 6560 1 426 . 1 1 39 39 ASP HB2 H 1 2.5700 . . . . . . . . . . . 6560 1 427 . 1 1 39 39 ASP CA C 13 54.9280 . . . . . . . . . . . 6560 1 428 . 1 1 39 39 ASP CB C 13 39.3840 . . . . . . . . . . . 6560 1 429 . 1 1 39 39 ASP N N 15 119.5310 . . . . . . . . . . . 6560 1 430 . 1 1 40 40 ALA H H 1 8.1480 . . . . . . . . . . . 6560 1 431 . 1 1 40 40 ALA HA H 1 3.5700 . . . . . . . . . . . 6560 1 432 . 1 1 40 40 ALA HB1 H 1 0.4300 . . . . . . . . . . . 6560 1 433 . 1 1 40 40 ALA HB2 H 1 0.4300 . . . . . . . . . . . 6560 1 434 . 1 1 40 40 ALA HB3 H 1 0.4300 . . . . . . . . . . . 6560 1 435 . 1 1 40 40 ALA CA C 13 52.5420 . . . . . . . . . . . 6560 1 436 . 1 1 40 40 ALA CB C 13 15.4630 . . . . . . . . . . . 6560 1 437 . 1 1 40 40 ALA N N 15 123.7320 . . . . . . . . . . . 6560 1 438 . 1 1 41 41 GLN H H 1 6.8420 . . . . . . . . . . . 6560 1 439 . 1 1 41 41 GLN HA H 1 3.2800 . . . . . . . . . . . 6560 1 440 . 1 1 41 41 GLN HB2 H 1 2.0500 . . . . . . . . . . . 6560 1 441 . 1 1 41 41 GLN HB3 H 1 1.7100 . . . . . . . . . . . 6560 1 442 . 1 1 41 41 GLN HG2 H 1 2.3500 . . . . . . . . . . . 6560 1 443 . 1 1 41 41 GLN HG3 H 1 2.2100 . . . . . . . . . . . 6560 1 444 . 1 1 41 41 GLN HE21 H 1 7.5150 . . . . . . . . . . . 6560 1 445 . 1 1 41 41 GLN HE22 H 1 6.8680 . . . . . . . . . . . 6560 1 446 . 1 1 41 41 GLN CA C 13 55.5060 . . . . . . . . . . . 6560 1 447 . 1 1 41 41 GLN CB C 13 26.9580 . . . . . . . . . . . 6560 1 448 . 1 1 41 41 GLN CG C 13 32.2000 . . . . . . . . . . . 6560 1 449 . 1 1 41 41 GLN N N 15 112.3460 . . . . . . . . . . . 6560 1 450 . 1 1 41 41 GLN NE2 N 15 111.9820 . . . . . . . . . . . 6560 1 451 . 1 1 42 42 LYS H H 1 6.9930 . . . . . . . . . . . 6560 1 452 . 1 1 42 42 LYS HA H 1 4.2500 . . . . . . . . . . . 6560 1 453 . 1 1 42 42 LYS HB2 H 1 1.9700 . . . . . . . . . . . 6560 1 454 . 1 1 42 42 LYS HB3 H 1 1.8200 . . . . . . . . . . . 6560 1 455 . 1 1 42 42 LYS HG2 H 1 1.4700 . . . . . . . . . . . 6560 1 456 . 1 1 42 42 LYS HD2 H 1 1.7000 . . . . . . . . . . . 6560 1 457 . 1 1 42 42 LYS HE2 H 1 2.9700 . . . . . . . . . . . 6560 1 458 . 1 1 42 42 LYS CA C 13 53.9880 . . . . . . . . . . . 6560 1 459 . 1 1 42 42 LYS CB C 13 30.8620 . . . . . . . . . . . 6560 1 460 . 1 1 42 42 LYS CG C 13 22.8600 . . . . . . . . . . . 6560 1 461 . 1 1 42 42 LYS CD C 13 27.7900 . . . . . . . . . . . 6560 1 462 . 1 1 42 42 LYS CE C 13 40.6800 . . . . . . . . . . . 6560 1 463 . 1 1 42 42 LYS N N 15 114.0780 . . . . . . . . . . . 6560 1 464 . 1 1 43 43 ALA H H 1 7.7150 . . . . . . . . . . . 6560 1 465 . 1 1 43 43 ALA HA H 1 4.3800 . . . . . . . . . . . 6560 1 466 . 1 1 43 43 ALA HB1 H 1 1.5100 . . . . . . . . . . . 6560 1 467 . 1 1 43 43 ALA HB2 H 1 1.5100 . . . . . . . . . . . 6560 1 468 . 1 1 43 43 ALA HB3 H 1 1.5100 . . . . . . . . . . . 6560 1 469 . 1 1 43 43 ALA CA C 13 49.4350 . . . . . . . . . . . 6560 1 470 . 1 1 43 43 ALA CB C 13 19.3720 . . . . . . . . . . . 6560 1 471 . 1 1 43 43 ALA N N 15 123.1120 . . . . . . . . . . . 6560 1 472 . 1 1 44 44 THR H H 1 8.1800 . . . . . . . . . . . 6560 1 473 . 1 1 44 44 THR HA H 1 4.4230 . . . . . . . . . . . 6560 1 474 . 1 1 44 44 THR HB H 1 3.9400 . . . . . . . . . . . 6560 1 475 . 1 1 44 44 THR HG21 H 1 1.1200 . . . . . . . . . . . 6560 1 476 . 1 1 44 44 THR HG22 H 1 1.1200 . . . . . . . . . . . 6560 1 477 . 1 1 44 44 THR HG23 H 1 1.1200 . . . . . . . . . . . 6560 1 478 . 1 1 44 44 THR CA C 13 57.2410 . . . . . . . . . . . 6560 1 479 . 1 1 44 44 THR CB C 13 68.0810 . . . . . . . . . . . 6560 1 480 . 1 1 44 44 THR CG2 C 13 17.6220 . . . . . . . . . . . 6560 1 481 . 1 1 44 44 THR N N 15 114.3940 . . . . . . . . . . . 6560 1 482 . 1 1 45 45 PRO HA H 1 4.3400 . . . . . . . . . . . 6560 1 483 . 1 1 45 45 PRO HB2 H 1 2.2600 . . . . . . . . . . . 6560 1 484 . 1 1 45 45 PRO HB3 H 1 1.9800 . . . . . . . . . . . 6560 1 485 . 1 1 45 45 PRO HG2 H 1 2.0800 . . . . . . . . . . . 6560 1 486 . 1 1 45 45 PRO HG3 H 1 2.0800 . . . . . . . . . . . 6560 1 487 . 1 1 45 45 PRO HD2 H 1 3.8700 . . . . . . . . . . . 6560 1 488 . 1 1 45 45 PRO HD3 H 1 3.8600 . . . . . . . . . . . 6560 1 489 . 1 1 45 45 PRO CA C 13 63.3900 . . . . . . . . . . . 6560 1 490 . 1 1 45 45 PRO CB C 13 29.8730 . . . . . . . . . . . 6560 1 491 . 1 1 45 45 PRO CG C 13 27.2900 . . . . . . . . . . . 6560 1 492 . 1 1 45 45 PRO CD C 13 48.5800 . . . . . . . . . . . 6560 1 493 . 1 1 46 46 PRO HA H 1 4.2300 . . . . . . . . . . . 6560 1 494 . 1 1 46 46 PRO HB2 H 1 2.2700 . . . . . . . . . . . 6560 1 495 . 1 1 46 46 PRO HB3 H 1 1.9800 . . . . . . . . . . . 6560 1 496 . 1 1 46 46 PRO HG2 H 1 2.2000 . . . . . . . . . . . 6560 1 497 . 1 1 46 46 PRO HG3 H 1 2.1900 . . . . . . . . . . . 6560 1 498 . 1 1 46 46 PRO HD2 H 1 3.9800 . . . . . . . . . . . 6560 1 499 . 1 1 46 46 PRO CA C 13 63.2390 . . . . . . . . . . . 6560 1 500 . 1 1 46 46 PRO CB C 13 29.9940 . . . . . . . . . . . 6560 1 501 . 1 1 46 46 PRO CG C 13 27.2900 . . . . . . . . . . . 6560 1 502 . 1 1 46 46 PRO CD C 13 48.4400 . . . . . . . . . . . 6560 1 503 . 1 1 47 47 LYS H H 1 8.2160 . . . . . . . . . . . 6560 1 504 . 1 1 47 47 LYS HA H 1 4.2650 . . . . . . . . . . . 6560 1 505 . 1 1 47 47 LYS HB2 H 1 1.9600 . . . . . . . . . . . 6560 1 506 . 1 1 47 47 LYS HG2 H 1 1.5300 . . . . . . . . . . . 6560 1 507 . 1 1 47 47 LYS HD2 H 1 1.7000 . . . . . . . . . . . 6560 1 508 . 1 1 47 47 LYS HE2 H 1 2.9900 . . . . . . . . . . . 6560 1 509 . 1 1 47 47 LYS CA C 13 55.7230 . . . . . . . . . . . 6560 1 510 . 1 1 47 47 LYS CB C 13 29.9940 . . . . . . . . . . . 6560 1 511 . 1 1 47 47 LYS CG C 13 23.5200 . . . . . . . . . . . 6560 1 512 . 1 1 47 47 LYS CD C 13 27.5900 . . . . . . . . . . . 6560 1 513 . 1 1 47 47 LYS CE C 13 40.5900 . . . . . . . . . . . 6560 1 514 . 1 1 47 47 LYS N N 15 113.5930 . . . . . . . . . . . 6560 1 515 . 1 1 48 48 LEU H H 1 7.7080 . . . . . . . . . . . 6560 1 516 . 1 1 48 48 LEU HA H 1 4.5900 . . . . . . . . . . . 6560 1 517 . 1 1 48 48 LEU HB2 H 1 1.6400 . . . . . . . . . . . 6560 1 518 . 1 1 48 48 LEU HB3 H 1 1.4500 . . . . . . . . . . . 6560 1 519 . 1 1 48 48 LEU HG H 1 1.4300 . . . . . . . . . . . 6560 1 520 . 1 1 48 48 LEU HD11 H 1 0.8800 . . . . . . . . . . . 6560 1 521 . 1 1 48 48 LEU HD12 H 1 0.8800 . . . . . . . . . . . 6560 1 522 . 1 1 48 48 LEU HD13 H 1 0.8800 . . . . . . . . . . . 6560 1 523 . 1 1 48 48 LEU HD21 H 1 0.6900 . . . . . . . . . . . 6560 1 524 . 1 1 48 48 LEU HD22 H 1 0.6900 . . . . . . . . . . . 6560 1 525 . 1 1 48 48 LEU HD23 H 1 0.6900 . . . . . . . . . . . 6560 1 526 . 1 1 48 48 LEU CA C 13 51.3140 . . . . . . . . . . . 6560 1 527 . 1 1 48 48 LEU CB C 13 40.1120 . . . . . . . . . . . 6560 1 528 . 1 1 48 48 LEU CG C 13 25.7800 . . . . . . . . . . . 6560 1 529 . 1 1 48 48 LEU CD1 C 13 21.2500 . . . . . . . . . . . 6560 1 530 . 1 1 48 48 LEU CD2 C 13 23.0600 . . . . . . . . . . . 6560 1 531 . 1 1 48 48 LEU N N 15 116.6680 . . . . . . . . . . . 6560 1 532 . 1 1 49 49 GLU HA H 1 4.0900 . . . . . . . . . . . 6560 1 533 . 1 1 49 49 GLU HB2 H 1 2.1500 . . . . . . . . . . . 6560 1 534 . 1 1 49 49 GLU HB3 H 1 2.1500 . . . . . . . . . . . 6560 1 535 . 1 1 49 49 GLU HG2 H 1 2.3900 . . . . . . . . . . . 6560 1 536 . 1 1 49 49 GLU HG3 H 1 2.3900 . . . . . . . . . . . 6560 1 537 . 1 1 49 49 GLU CA C 13 56.5900 . . . . . . . . . . . 6560 1 538 . 1 1 49 49 GLU CB C 13 27.0320 . . . . . . . . . . . 6560 1 539 . 1 1 49 49 GLU CG C 13 32.5800 . . . . . . . . . . . 6560 1 540 . 1 1 50 50 ASP H H 1 8.5100 . . . . . . . . . . . 6560 1 541 . 1 1 50 50 ASP HA H 1 4.6500 . . . . . . . . . . . 6560 1 542 . 1 1 50 50 ASP HB2 H 1 2.7600 . . . . . . . . . . . 6560 1 543 . 1 1 50 50 ASP HB3 H 1 2.7600 . . . . . . . . . . . 6560 1 544 . 1 1 50 50 ASP CA C 13 51.3130 . . . . . . . . . . . 6560 1 545 . 1 1 50 50 ASP CB C 13 37.9440 . . . . . . . . . . . 6560 1 546 . 1 1 50 50 ASP N N 15 116.0090 . . . . . . . . . . . 6560 1 547 . 1 1 51 51 LYS H H 1 7.7660 . . . . . . . . . . . 6560 1 548 . 1 1 51 51 LYS HA H 1 4.4900 . . . . . . . . . . . 6560 1 549 . 1 1 51 51 LYS HB2 H 1 1.9100 . . . . . . . . . . . 6560 1 550 . 1 1 51 51 LYS HB3 H 1 1.8800 . . . . . . . . . . . 6560 1 551 . 1 1 51 51 LYS HG2 H 1 1.4100 . . . . . . . . . . . 6560 1 552 . 1 1 51 51 LYS HG3 H 1 1.3000 . . . . . . . . . . . 6560 1 553 . 1 1 51 51 LYS HD2 H 1 1.6400 . . . . . . . . . . . 6560 1 554 . 1 1 51 51 LYS HD3 H 1 1.6400 . . . . . . . . . . . 6560 1 555 . 1 1 51 51 LYS HE2 H 1 2.9900 . . . . . . . . . . . 6560 1 556 . 1 1 51 51 LYS CA C 13 51.8290 . . . . . . . . . . . 6560 1 557 . 1 1 51 51 LYS CB C 13 30.490 . . . . . . . . . . . 6560 1 558 . 1 1 51 51 LYS CG C 13 22.6100 . . . . . . . . . . . 6560 1 559 . 1 1 51 51 LYS CD C 13 28.0500 . . . . . . . . . . . 6560 1 560 . 1 1 51 51 LYS CE C 13 40.7300 . . . . . . . . . . . 6560 1 561 . 1 1 51 51 LYS N N 15 119.7940 . . . . . . . . . . . 6560 1 562 . 1 1 52 52 SER H H 1 8.7170 . . . . . . . . . . . 6560 1 563 . 1 1 52 52 SER HA H 1 4.7200 . . . . . . . . . . . 6560 1 564 . 1 1 52 52 SER HB2 H 1 4.1700 . . . . . . . . . . . 6560 1 565 . 1 1 52 52 SER HB3 H 1 3.9800 . . . . . . . . . . . 6560 1 566 . 1 1 52 52 SER CA C 13 54.6390 . . . . . . . . . . . 6560 1 567 . 1 1 52 52 SER CB C 13 60.9260 . . . . . . . . . . . 6560 1 568 . 1 1 52 52 SER N N 15 116.9650 . . . . . . . . . . . 6560 1 569 . 1 1 53 53 PRO HA H 1 4.3300 . . . . . . . . . . . 6560 1 570 . 1 1 53 53 PRO HB2 H 1 2.4000 . . . . . . . . . . . 6560 1 571 . 1 1 53 53 PRO HB3 H 1 1.9800 . . . . . . . . . . . 6560 1 572 . 1 1 53 53 PRO HG2 H 1 2.0800 . . . . . . . . . . . 6560 1 573 . 1 1 53 53 PRO HD2 H 1 3.9400 . . . . . . . . . . . 6560 1 574 . 1 1 53 53 PRO CA C 13 63.3110 . . . . . . . . . . . 6560 1 575 . 1 1 53 53 PRO CB C 13 29.7060 . . . . . . . . . . . 6560 1 576 . 1 1 53 53 PRO CG C 13 26.6900 . . . . . . . . . . . 6560 1 577 . 1 1 53 53 PRO CD C 13 49.0400 . . . . . . . . . . . 6560 1 578 . 1 1 54 54 ASP H H 1 7.9770 . . . . . . . . . . . 6560 1 579 . 1 1 54 54 ASP HA H 1 4.8300 . . . . . . . . . . . 6560 1 580 . 1 1 54 54 ASP HB2 H 1 2.8300 . . . . . . . . . . . 6560 1 581 . 1 1 54 54 ASP HB3 H 1 2.6400 . . . . . . . . . . . 6560 1 582 . 1 1 54 54 ASP CA C 13 50.7360 . . . . . . . . . . . 6560 1 583 . 1 1 54 54 ASP CB C 13 38.7320 . . . . . . . . . . . 6560 1 584 . 1 1 54 54 ASP N N 15 113.6740 . . . . . . . . . . . 6560 1 585 . 1 1 55 55 SER H H 1 7.7690 . . . . . . . . . . . 6560 1 586 . 1 1 55 55 SER HA H 1 4.5400 . . . . . . . . . . . 6560 1 587 . 1 1 55 55 SER HB2 H 1 4.2900 . . . . . . . . . . . 6560 1 588 . 1 1 55 55 SER HB3 H 1 4.2900 . . . . . . . . . . . 6560 1 589 . 1 1 55 55 SER CA C 13 54.7840 . . . . . . . . . . . 6560 1 590 . 1 1 55 55 SER CB C 13 60.8540 . . . . . . . . . . . 6560 1 591 . 1 1 55 55 SER N N 15 116.2580 . . . . . . . . . . . 6560 1 592 . 1 1 56 56 PRO HA H 1 4.3400 . . . . . . . . . . . 6560 1 593 . 1 1 56 56 PRO HB2 H 1 2.4000 . . . . . . . . . . . 6560 1 594 . 1 1 56 56 PRO HB3 H 1 1.9800 . . . . . . . . . . . 6560 1 595 . 1 1 56 56 PRO HG2 H 1 2.0800 . . . . . . . . . . . 6560 1 596 . 1 1 56 56 PRO HG3 H 1 2.0800 . . . . . . . . . . . 6560 1 597 . 1 1 56 56 PRO HD2 H 1 3.9400 . . . . . . . . . . . 6560 1 598 . 1 1 56 56 PRO CA C 13 63.8880 . . . . . . . . . . . 6560 1 599 . 1 1 56 56 PRO CB C 13 30.0670 . . . . . . . . . . . 6560 1 600 . 1 1 56 56 PRO CG C 13 26.6900 . . . . . . . . . . . 6560 1 601 . 1 1 56 56 PRO CD C 13 49.6500 . . . . . . . . . . . 6560 1 602 . 1 1 57 57 GLU HA H 1 4.1100 . . . . . . . . . . . 6560 1 603 . 1 1 57 57 GLU HB2 H 1 2.3300 . . . . . . . . . . . 6560 1 604 . 1 1 57 57 GLU HB3 H 1 1.9000 . . . . . . . . . . . 6560 1 605 . 1 1 57 57 GLU HG2 H 1 2.5900 . . . . . . . . . . . 6560 1 606 . 1 1 57 57 GLU HG3 H 1 2.3800 . . . . . . . . . . . 6560 1 607 . 1 1 57 57 GLU CA C 13 58.6140 . . . . . . . . . . . 6560 1 608 . 1 1 57 57 GLU CB C 13 27.7570 . . . . . . . . . . . 6560 1 609 . 1 1 57 57 GLU CG C 13 32.1200 . . . . . . . . . . . 6560 1 610 . 1 1 57 57 GLU N N 15 116.8240 . . . . . . . . . . . 6560 1 611 . 1 1 58 58 MET H H 1 7.6770 . . . . . . . . . . . 6560 1 612 . 1 1 58 58 MET HA H 1 4.5900 . . . . . . . . . . . 6560 1 613 . 1 1 58 58 MET HB2 H 1 2.2300 . . . . . . . . . . . 6560 1 614 . 1 1 58 58 MET HB3 H 1 2.0800 . . . . . . . . . . . 6560 1 615 . 1 1 58 58 MET HG2 H 1 2.7800 . . . . . . . . . . . 6560 1 616 . 1 1 58 58 MET HG3 H 1 2.2700 . . . . . . . . . . . 6560 1 617 . 1 1 58 58 MET HE1 H 1 2.1700 . . . . . . . . . . . 6560 1 618 . 1 1 58 58 MET HE2 H 1 2.1700 . . . . . . . . . . . 6560 1 619 . 1 1 58 58 MET HE3 H 1 2.1700 . . . . . . . . . . . 6560 1 620 . 1 1 58 58 MET CA C 13 54.1330 . . . . . . . . . . . 6560 1 621 . 1 1 58 58 MET CB C 13 28.0430 . . . . . . . . . . . 6560 1 622 . 1 1 58 58 MET CG C 13 30.1100 . . . . . . . . . . . 6560 1 623 . 1 1 58 58 MET N N 15 119.0710 . . . . . . . . . . . 6560 1 624 . 1 1 59 59 LYS H H 1 8.4630 . . . . . . . . . . . 6560 1 625 . 1 1 59 59 LYS HA H 1 4.0100 . . . . . . . . . . . 6560 1 626 . 1 1 59 59 LYS HB2 H 1 1.9300 . . . . . . . . . . . 6560 1 627 . 1 1 59 59 LYS HB3 H 1 1.9370 . . . . . . . . . . . 6560 1 628 . 1 1 59 59 LYS HG2 H 1 1.4400 . . . . . . . . . . . 6560 1 629 . 1 1 59 59 LYS HD2 H 1 1.6000 . . . . . . . . . . . 6560 1 630 . 1 1 59 59 LYS HD3 H 1 1.5900 . . . . . . . . . . . 6560 1 631 . 1 1 59 59 LYS HE2 H 1 2.9400 . . . . . . . . . . . 6560 1 632 . 1 1 59 59 LYS CA C 13 58.1800 . . . . . . . . . . . 6560 1 633 . 1 1 59 59 LYS CB C 13 29.9940 . . . . . . . . . . . 6560 1 634 . 1 1 59 59 LYS CG C 13 23.2500 . . . . . . . . . . . 6560 1 635 . 1 1 59 59 LYS CD C 13 27.5900 . . . . . . . . . . . 6560 1 636 . 1 1 59 59 LYS CE C 13 39.8300 . . . . . . . . . . . 6560 1 637 . 1 1 59 59 LYS N N 15 120.1190 . . . . . . . . . . . 6560 1 638 . 1 1 60 60 ASP H H 1 8.3570 . . . . . . . . . . . 6560 1 639 . 1 1 60 60 ASP HA H 1 4.6050 . . . . . . . . . . . 6560 1 640 . 1 1 60 60 ASP HB2 H 1 3.0200 . . . . . . . . . . . 6560 1 641 . 1 1 60 60 ASP HB3 H 1 2.9200 . . . . . . . . . . . 6560 1 642 . 1 1 60 60 ASP CA C 13 55.3610 . . . . . . . . . . . 6560 1 643 . 1 1 60 60 ASP CB C 13 38.9560 . . . . . . . . . . . 6560 1 644 . 1 1 60 60 ASP N N 15 120.8380 . . . . . . . . . . . 6560 1 645 . 1 1 61 61 PHE H H 1 8.2600 . . . . . . . . . . . 6560 1 646 . 1 1 61 61 PHE HA H 1 4.0900 . . . . . . . . . . . 6560 1 647 . 1 1 61 61 PHE HB2 H 1 3.2400 . . . . . . . . . . . 6560 1 648 . 1 1 61 61 PHE HB3 H 1 2.7000 . . . . . . . . . . . 6560 1 649 . 1 1 61 61 PHE HD1 H 1 6.6390 . . . . . . . . . . . 6560 1 650 . 1 1 61 61 PHE HD2 H 1 6.6390 . . . . . . . . . . . 6560 1 651 . 1 1 61 61 PHE HE1 H 1 7.3170 . . . . . . . . . . . 6560 1 652 . 1 1 61 61 PHE HE2 H 1 7.3170 . . . . . . . . . . . 6560 1 653 . 1 1 61 61 PHE HZ H 1 6.3850 . . . . . . . . . . . 6560 1 654 . 1 1 61 61 PHE CA C 13 59.1230 . . . . . . . . . . . 6560 1 655 . 1 1 61 61 PHE CB C 13 36.6430 . . . . . . . . . . . 6560 1 656 . 1 1 61 61 PHE N N 15 121.6820 . . . . . . . . . . . 6560 1 657 . 1 1 62 62 ARG H H 1 8.4780 . . . . . . . . . . . 6560 1 658 . 1 1 62 62 ARG HA H 1 3.8000 . . . . . . . . . . . 6560 1 659 . 1 1 62 62 ARG HB2 H 1 1.7700 . . . . . . . . . . . 6560 1 660 . 1 1 62 62 ARG HB3 H 1 1.7700 . . . . . . . . . . . 6560 1 661 . 1 1 62 62 ARG HG2 H 1 1.6700 . . . . . . . . . . . 6560 1 662 . 1 1 62 62 ARG HG3 H 1 1.6700 . . . . . . . . . . . 6560 1 663 . 1 1 62 62 ARG HD2 H 1 2.9400 . . . . . . . . . . . 6560 1 664 . 1 1 62 62 ARG HD3 H 1 2.9400 . . . . . . . . . . . 6560 1 665 . 1 1 62 62 ARG HE H 1 7.5170 . . . . . . . . . . . 6560 1 666 . 1 1 62 62 ARG HH11 H 1 6.5700 . . . . . . . . . . . 6560 1 667 . 1 1 62 62 ARG CA C 13 59.1230 . . . . . . . . . . . 6560 1 668 . 1 1 62 62 ARG CB C 13 28.2410 . . . . . . . . . . . 6560 1 669 . 1 1 62 62 ARG CG C 13 26.6900 . . . . . . . . . . . 6560 1 670 . 1 1 62 62 ARG CD C 13 40.2800 . . . . . . . . . . . 6560 1 671 . 1 1 62 62 ARG N N 15 116.6460 . . . . . . . . . . . 6560 1 672 . 1 1 63 63 HIS H H 1 8.6960 . . . . . . . . . . . 6560 1 673 . 1 1 63 63 HIS HA H 1 4.6000 . . . . . . . . . . . 6560 1 674 . 1 1 63 63 HIS HB2 H 1 3.5600 . . . . . . . . . . . 6560 1 675 . 1 1 63 63 HIS HB3 H 1 3.4530 . . . . . . . . . . . 6560 1 676 . 1 1 63 63 HIS HD2 H 1 7.3880 . . . . . . . . . . . 6560 1 677 . 1 1 63 63 HIS HE1 H 1 7.7370 . . . . . . . . . . . 6560 1 678 . 1 1 63 63 HIS CA C 13 56.0120 . . . . . . . . . . . 6560 1 679 . 1 1 63 63 HIS CB C 13 25.8020 . . . . . . . . . . . 6560 1 680 . 1 1 63 63 HIS N N 15 119.0360 . . . . . . . . . . . 6560 1 681 . 1 1 64 64 GLY H H 1 8.1920 . . . . . . . . . . . 6560 1 682 . 1 1 64 64 GLY HA2 H 1 3.2100 . . . . . . . . . . . 6560 1 683 . 1 1 64 64 GLY HA3 H 1 3.0300 . . . . . . . . . . . 6560 1 684 . 1 1 64 64 GLY CA C 13 44.3040 . . . . . . . . . . . 6560 1 685 . 1 1 64 64 GLY N N 15 107.0330 . . . . . . . . . . . 6560 1 686 . 1 1 65 65 PHE H H 1 6.9670 . . . . . . . . . . . 6560 1 687 . 1 1 65 65 PHE HA H 1 4.1000 . . . . . . . . . . . 6560 1 688 . 1 1 65 65 PHE HB2 H 1 2.8500 . . . . . . . . . . . 6560 1 689 . 1 1 65 65 PHE HB3 H 1 2.6300 . . . . . . . . . . . 6560 1 690 . 1 1 65 65 PHE HD1 H 1 6.7010 . . . . . . . . . . . 6560 1 691 . 1 1 65 65 PHE HD2 H 1 6.7010 . . . . . . . . . . . 6560 1 692 . 1 1 65 65 PHE HE1 H 1 6.3790 . . . . . . . . . . . 6560 1 693 . 1 1 65 65 PHE HE2 H 1 6.3790 . . . . . . . . . . . 6560 1 694 . 1 1 65 65 PHE HZ H 1 6.4990 . . . . . . . . . . . 6560 1 695 . 1 1 65 65 PHE CA C 13 60.4930 . . . . . . . . . . . 6560 1 696 . 1 1 65 65 PHE CB C 13 36.9320 . . . . . . . . . . . 6560 1 697 . 1 1 65 65 PHE N N 15 117.7490 . . . . . . . . . . . 6560 1 698 . 1 1 66 66 ASP H H 1 7.5100 . . . . . . . . . . . 6560 1 699 . 1 1 66 66 ASP HA H 1 4.4200 . . . . . . . . . . . 6560 1 700 . 1 1 66 66 ASP HB2 H 1 2.7900 . . . . . . . . . . . 6560 1 701 . 1 1 66 66 ASP HB3 H 1 2.6800 . . . . . . . . . . . 6560 1 702 . 1 1 66 66 ASP CA C 13 55.7940 . . . . . . . . . . . 6560 1 703 . 1 1 66 66 ASP CB C 13 37.7260 . . . . . . . . . . . 6560 1 704 . 1 1 66 66 ASP N N 15 121.5800 . . . . . . . . . . . 6560 1 705 . 1 1 67 67 ILE H H 1 7.6250 . . . . . . . . . . . 6560 1 706 . 1 1 67 67 ILE HA H 1 3.6300 . . . . . . . . . . . 6560 1 707 . 1 1 67 67 ILE HB H 1 1.8800 . . . . . . . . . . . 6560 1 708 . 1 1 67 67 ILE HG12 H 1 1.1700 . . . . . . . . . . . 6560 1 709 . 1 1 67 67 ILE HG13 H 1 0.9300 . . . . . . . . . . . 6560 1 710 . 1 1 67 67 ILE HG21 H 1 0.8200 . . . . . . . . . . . 6560 1 711 . 1 1 67 67 ILE HG22 H 1 0.8200 . . . . . . . . . . . 6560 1 712 . 1 1 67 67 ILE HG23 H 1 0.8200 . . . . . . . . . . . 6560 1 713 . 1 1 67 67 ILE HD11 H 1 0.7010 . . . . . . . . . . . 6560 1 714 . 1 1 67 67 ILE HD12 H 1 0.7010 . . . . . . . . . . . 6560 1 715 . 1 1 67 67 ILE HD13 H 1 0.7010 . . . . . . . . . . . 6560 1 716 . 1 1 67 67 ILE CA C 13 61.5760 . . . . . . . . . . . 6560 1 717 . 1 1 67 67 ILE CB C 13 34.6920 . . . . . . . . . . . 6560 1 718 . 1 1 67 67 ILE CG1 C 13 24.8700 . . . . . . . . . . . 6560 1 719 . 1 1 67 67 ILE CG2 C 13 14.0000 . . . . . . . . . . . 6560 1 720 . 1 1 67 67 ILE CD1 C 13 13.4000 . . . . . . . . . . . 6560 1 721 . 1 1 67 67 ILE N N 15 120.6640 . . . . . . . . . . . 6560 1 722 . 1 1 68 68 LEU H H 1 7.7170 . . . . . . . . . . . 6560 1 723 . 1 1 68 68 LEU HA H 1 4.1400 . . . . . . . . . . . 6560 1 724 . 1 1 68 68 LEU HB2 H 1 1.7900 . . . . . . . . . . . 6560 1 725 . 1 1 68 68 LEU HB3 H 1 1.5500 . . . . . . . . . . . 6560 1 726 . 1 1 68 68 LEU HG H 1 1.6200 . . . . . . . . . . . 6560 1 727 . 1 1 68 68 LEU HD11 H 1 0.8800 . . . . . . . . . . . 6560 1 728 . 1 1 68 68 LEU HD12 H 1 0.8800 . . . . . . . . . . . 6560 1 729 . 1 1 68 68 LEU HD13 H 1 0.8800 . . . . . . . . . . . 6560 1 730 . 1 1 68 68 LEU HD21 H 1 0.8600 . . . . . . . . . . . 6560 1 731 . 1 1 68 68 LEU HD22 H 1 0.8600 . . . . . . . . . . . 6560 1 732 . 1 1 68 68 LEU HD23 H 1 0.8600 . . . . . . . . . . . 6560 1 733 . 1 1 68 68 LEU CA C 13 55.7950 . . . . . . . . . . . 6560 1 734 . 1 1 68 68 LEU CB C 13 40.3290 . . . . . . . . . . . 6560 1 735 . 1 1 68 68 LEU CG C 13 25.0700 . . . . . . . . . . . 6560 1 736 . 1 1 68 68 LEU CD1 C 13 23.5000 . . . . . . . . . . . 6560 1 737 . 1 1 68 68 LEU CD2 C 13 23.0600 . . . . . . . . . . . 6560 1 738 . 1 1 68 68 LEU N N 15 120.3610 . . . . . . . . . . . 6560 1 739 . 1 1 69 69 VAL H H 1 8.7080 . . . . . . . . . . . 6560 1 740 . 1 1 69 69 VAL HA H 1 3.4400 . . . . . . . . . . . 6560 1 741 . 1 1 69 69 VAL HB H 1 2.1800 . . . . . . . . . . . 6560 1 742 . 1 1 69 69 VAL HG11 H 1 1.0400 . . . . . . . . . . . 6560 1 743 . 1 1 69 69 VAL HG12 H 1 1.0400 . . . . . . . . . . . 6560 1 744 . 1 1 69 69 VAL HG13 H 1 1.0400 . . . . . . . . . . . 6560 1 745 . 1 1 69 69 VAL HG21 H 1 0.9000 . . . . . . . . . . . 6560 1 746 . 1 1 69 69 VAL HG22 H 1 0.9000 . . . . . . . . . . . 6560 1 747 . 1 1 69 69 VAL HG23 H 1 0.9000 . . . . . . . . . . . 6560 1 748 . 1 1 69 69 VAL CA C 13 65.6930 . . . . . . . . . . . 6560 1 749 . 1 1 69 69 VAL CB C 13 29.1270 . . . . . . . . . . . 6560 1 750 . 1 1 69 69 VAL CG1 C 13 20.6500 . . . . . . . . . . . 6560 1 751 . 1 1 69 69 VAL CG2 C 13 18.8300 . . . . . . . . . . . 6560 1 752 . 1 1 69 69 VAL N N 15 119.0360 . . . . . . . . . . . 6560 1 753 . 1 1 70 70 GLY H H 1 7.7780 . . . . . . . . . . . 6560 1 754 . 1 1 70 70 GLY HA2 H 1 3.8800 . . . . . . . . . . . 6560 1 755 . 1 1 70 70 GLY HA3 H 1 3.8700 . . . . . . . . . . . 6560 1 756 . 1 1 70 70 GLY CA C 13 45.3880 . . . . . . . . . . . 6560 1 757 . 1 1 70 70 GLY N N 15 105.9420 . . . . . . . . . . . 6560 1 758 . 1 1 71 71 GLN H H 1 7.9130 . . . . . . . . . . . 6560 1 759 . 1 1 71 71 GLN HA H 1 4.2100 . . . . . . . . . . . 6560 1 760 . 1 1 71 71 GLN HB2 H 1 1.9800 . . . . . . . . . . . 6560 1 761 . 1 1 71 71 GLN HG2 H 1 2.3400 . . . . . . . . . . . 6560 1 762 . 1 1 71 71 GLN HG3 H 1 2.3200 . . . . . . . . . . . 6560 1 763 . 1 1 71 71 GLN HE21 H 1 7.2190 . . . . . . . . . . . 6560 1 764 . 1 1 71 71 GLN HE22 H 1 6.1260 . . . . . . . . . . . 6560 1 765 . 1 1 71 71 GLN CA C 13 56.7350 . . . . . . . . . . . 6560 1 766 . 1 1 71 71 GLN CB C 13 26.8820 . . . . . . . . . . . 6560 1 767 . 1 1 71 71 GLN CG C 13 31.8700 . . . . . . . . . . . 6560 1 768 . 1 1 71 71 GLN N N 15 120.6690 . . . . . . . . . . . 6560 1 769 . 1 1 71 71 GLN NE2 N 15 107.1410 . . . . . . . . . . . 6560 1 770 . 1 1 72 72 ILE H H 1 8.8800 . . . . . . . . . . . 6560 1 771 . 1 1 72 72 ILE HA H 1 3.5200 . . . . . . . . . . . 6560 1 772 . 1 1 72 72 ILE HB H 1 2.0700 . . . . . . . . . . . 6560 1 773 . 1 1 72 72 ILE HG12 H 1 0.9500 . . . . . . . . . . . 6560 1 774 . 1 1 72 72 ILE HG21 H 1 0.8000 . . . . . . . . . . . 6560 1 775 . 1 1 72 72 ILE HG22 H 1 0.8000 . . . . . . . . . . . 6560 1 776 . 1 1 72 72 ILE HG23 H 1 0.8000 . . . . . . . . . . . 6560 1 777 . 1 1 72 72 ILE HD11 H 1 0.7100 . . . . . . . . . . . 6560 1 778 . 1 1 72 72 ILE HD12 H 1 0.7100 . . . . . . . . . . . 6560 1 779 . 1 1 72 72 ILE HD13 H 1 0.7100 . . . . . . . . . . . 6560 1 780 . 1 1 72 72 ILE CA C 13 64.0340 . . . . . . . . . . . 6560 1 781 . 1 1 72 72 ILE CB C 13 35.7760 . . . . . . . . . . . 6560 1 782 . 1 1 72 72 ILE CG2 C 13 12.7900 . . . . . . . . . . . 6560 1 783 . 1 1 72 72 ILE CD1 C 13 11.5800 . . . . . . . . . . . 6560 1 784 . 1 1 72 72 ILE N N 15 123.8890 . . . . . . . . . . . 6560 1 785 . 1 1 73 73 ASP H H 1 8.9600 . . . . . . . . . . . 6560 1 786 . 1 1 73 73 ASP HA H 1 4.5800 . . . . . . . . . . . 6560 1 787 . 1 1 73 73 ASP HB2 H 1 3.0400 . . . . . . . . . . . 6560 1 788 . 1 1 73 73 ASP HB3 H 1 2.9300 . . . . . . . . . . . 6560 1 789 . 1 1 73 73 ASP CA C 13 55.6540 . . . . . . . . . . . 6560 1 790 . 1 1 73 73 ASP CB C 13 37.1400 . . . . . . . . . . . 6560 1 791 . 1 1 73 73 ASP N N 15 121.8940 . . . . . . . . . . . 6560 1 792 . 1 1 74 74 ASP H H 1 8.0950 . . . . . . . . . . . 6560 1 793 . 1 1 74 74 ASP HA H 1 4.4700 . . . . . . . . . . . 6560 1 794 . 1 1 74 74 ASP HB2 H 1 2.8440 . . . . . . . . . . . 6560 1 795 . 1 1 74 74 ASP HB3 H 1 2.7100 . . . . . . . . . . . 6560 1 796 . 1 1 74 74 ASP CA C 13 55.3610 . . . . . . . . . . . 6560 1 797 . 1 1 74 74 ASP CB C 13 38.0160 . . . . . . . . . . . 6560 1 798 . 1 1 74 74 ASP N N 15 122.0980 . . . . . . . . . . . 6560 1 799 . 1 1 75 75 ALA H H 1 7.8170 . . . . . . . . . . . 6560 1 800 . 1 1 75 75 ALA HA H 1 4.0400 . . . . . . . . . . . 6560 1 801 . 1 1 75 75 ALA HB1 H 1 1.5600 . . . . . . . . . . . 6560 1 802 . 1 1 75 75 ALA HB2 H 1 1.5600 . . . . . . . . . . . 6560 1 803 . 1 1 75 75 ALA HB3 H 1 1.5600 . . . . . . . . . . . 6560 1 804 . 1 1 75 75 ALA CA C 13 52.9080 . . . . . . . . . . . 6560 1 805 . 1 1 75 75 ALA CB C 13 15.7620 . . . . . . . . . . . 6560 1 806 . 1 1 75 75 ALA N N 15 123.4450 . . . . . . . . . . . 6560 1 807 . 1 1 76 76 LEU H H 1 9.1750 . . . . . . . . . . . 6560 1 808 . 1 1 76 76 LEU HA H 1 3.8300 . . . . . . . . . . . 6560 1 809 . 1 1 76 76 LEU HB2 H 1 1.990 . . . . . . . . . . . 6560 1 810 . 1 1 76 76 LEU HB3 H 1 1.6000 . . . . . . . . . . . 6560 1 811 . 1 1 76 76 LEU HG H 1 1.6300 . . . . . . . . . . . 6560 1 812 . 1 1 76 76 LEU HD11 H 1 0.9400 . . . . . . . . . . . 6560 1 813 . 1 1 76 76 LEU HD12 H 1 0.9400 . . . . . . . . . . . 6560 1 814 . 1 1 76 76 LEU HD13 H 1 0.9400 . . . . . . . . . . . 6560 1 815 . 1 1 76 76 LEU HD21 H 1 0.9200 . . . . . . . . . . . 6560 1 816 . 1 1 76 76 LEU HD22 H 1 0.9200 . . . . . . . . . . . 6560 1 817 . 1 1 76 76 LEU HD23 H 1 0.9200 . . . . . . . . . . . 6560 1 818 . 1 1 76 76 LEU CA C 13 55.7230 . . . . . . . . . . . 6560 1 819 . 1 1 76 76 LEU CB C 13 40.1100 . . . . . . . . . . . 6560 1 820 . 1 1 76 76 LEU CG C 13 25.7800 . . . . . . . . . . . 6560 1 821 . 1 1 76 76 LEU CD1 C 13 23.5200 . . . . . . . . . . . 6560 1 822 . 1 1 76 76 LEU CD2 C 13 23.0620 . . . . . . . . . . . 6560 1 823 . 1 1 76 76 LEU N N 15 121.3460 . . . . . . . . . . . 6560 1 824 . 1 1 77 77 LYS H H 1 7.8130 . . . . . . . . . . . 6560 1 825 . 1 1 77 77 LYS HA H 1 4.0700 . . . . . . . . . . . 6560 1 826 . 1 1 77 77 LYS HB2 H 1 1.9900 . . . . . . . . . . . 6560 1 827 . 1 1 77 77 LYS HG2 H 1 1.5840 . . . . . . . . . . . 6560 1 828 . 1 1 77 77 LYS HD2 H 1 1.7200 . . . . . . . . . . . 6560 1 829 . 1 1 77 77 LYS HD3 H 1 1.7200 . . . . . . . . . . . 6560 1 830 . 1 1 77 77 LYS HE2 H 1 2.9700 . . . . . . . . . . . 6560 1 831 . 1 1 77 77 LYS CA C 13 57.8910 . . . . . . . . . . . 6560 1 832 . 1 1 77 77 LYS CB C 13 29.9940 . . . . . . . . . . . 6560 1 833 . 1 1 77 77 LYS CG C 13 23.0600 . . . . . . . . . . . 6560 1 834 . 1 1 77 77 LYS CD C 13 29.4100 . . . . . . . . . . . 6560 1 835 . 1 1 77 77 LYS CE C 13 40.2800 . . . . . . . . . . . 6560 1 836 . 1 1 77 77 LYS N N 15 120.1110 . . . . . . . . . . . 6560 1 837 . 1 1 78 78 LEU H H 1 6.9760 . . . . . . . . . . . 6560 1 838 . 1 1 78 78 LEU HA H 1 4.1400 . . . . . . . . . . . 6560 1 839 . 1 1 78 78 LEU HB2 H 1 1.7900 . . . . . . . . . . . 6560 1 840 . 1 1 78 78 LEU HB3 H 1 1.5100 . . . . . . . . . . . 6560 1 841 . 1 1 78 78 LEU HG H 1 1.6100 . . . . . . . . . . . 6560 1 842 . 1 1 78 78 LEU HD11 H 1 0.9100 . . . . . . . . . . . 6560 1 843 . 1 1 78 78 LEU HD12 H 1 0.9100 . . . . . . . . . . . 6560 1 844 . 1 1 78 78 LEU HD13 H 1 0.9100 . . . . . . . . . . . 6560 1 845 . 1 1 78 78 LEU HD21 H 1 0.8700 . . . . . . . . . . . 6560 1 846 . 1 1 78 78 LEU HD22 H 1 0.8700 . . . . . . . . . . . 6560 1 847 . 1 1 78 78 LEU HD23 H 1 0.8700 . . . . . . . . . . . 6560 1 848 . 1 1 78 78 LEU CA C 13 55.5060 . . . . . . . . . . . 6560 1 849 . 1 1 78 78 LEU CB C 13 39.3800 . . . . . . . . . . . 6560 1 850 . 1 1 78 78 LEU CG C 13 25.3300 . . . . . . . . . . . 6560 1 851 . 1 1 78 78 LEU CD1 C 13 21.3500 . . . . . . . . . . . 6560 1 852 . 1 1 78 78 LEU CD2 C 13 21.3400 . . . . . . . . . . . 6560 1 853 . 1 1 78 78 LEU N N 15 116.7910 . . . . . . . . . . . 6560 1 854 . 1 1 79 79 ALA H H 1 8.3470 . . . . . . . . . . . 6560 1 855 . 1 1 79 79 ALA HA H 1 3.6600 . . . . . . . . . . . 6560 1 856 . 1 1 79 79 ALA HB1 H 1 1.3300 . . . . . . . . . . . 6560 1 857 . 1 1 79 79 ALA HB2 H 1 1.3300 . . . . . . . . . . . 6560 1 858 . 1 1 79 79 ALA HB3 H 1 1.3300 . . . . . . . . . . . 6560 1 859 . 1 1 79 79 ALA CA C 13 53.6270 . . . . . . . . . . . 6560 1 860 . 1 1 79 79 ALA CB C 13 15.3230 . . . . . . . . . . . 6560 1 861 . 1 1 79 79 ALA N N 15 121.5340 . . . . . . . . . . . 6560 1 862 . 1 1 80 80 ASN H H 1 8.9490 . . . . . . . . . . . 6560 1 863 . 1 1 80 80 ASN HA H 1 4.4300 . . . . . . . . . . . 6560 1 864 . 1 1 80 80 ASN HB2 H 1 2.8300 . . . . . . . . . . . 6560 1 865 . 1 1 80 80 ASN HB3 H 1 2.6000 . . . . . . . . . . . 6560 1 866 . 1 1 80 80 ASN HD21 H 1 7.3530 . . . . . . . . . . . 6560 1 867 . 1 1 80 80 ASN HD22 H 1 6.8650 . . . . . . . . . . . 6560 1 868 . 1 1 80 80 ASN CA C 13 53.4840 . . . . . . . . . . . 6560 1 869 . 1 1 80 80 ASN CB C 13 36.2810 . . . . . . . . . . . 6560 1 870 . 1 1 80 80 ASN N N 15 118.1350 . . . . . . . . . . . 6560 1 871 . 1 1 80 80 ASN ND2 N 15 110.9910 . . . . . . . . . . . 6560 1 872 . 1 1 81 81 GLU H H 1 7.5010 . . . . . . . . . . . 6560 1 873 . 1 1 81 81 GLU HA H 1 4.4200 . . . . . . . . . . . 6560 1 874 . 1 1 81 81 GLU HB2 H 1 2.1800 . . . . . . . . . . . 6560 1 875 . 1 1 81 81 GLU HB3 H 1 2.1300 . . . . . . . . . . . 6560 1 876 . 1 1 81 81 GLU HG2 H 1 2.3700 . . . . . . . . . . . 6560 1 877 . 1 1 81 81 GLU HG3 H 1 2.3700 . . . . . . . . . . . 6560 1 878 . 1 1 81 81 GLU CA C 13 53.6900 . . . . . . . . . . . 6560 1 879 . 1 1 81 81 GLU CB C 13 27.6090 . . . . . . . . . . . 6560 1 880 . 1 1 81 81 GLU CG C 13 32.1200 . . . . . . . . . . . 6560 1 881 . 1 1 81 81 GLU N N 15 117.2700 . . . . . . . . . . . 6560 1 882 . 1 1 82 82 GLY H H 1 7.8760 . . . . . . . . . . . 6560 1 883 . 1 1 82 82 GLY HA2 H 1 4.2800 . . . . . . . . . . . 6560 1 884 . 1 1 82 82 GLY HA3 H 1 3.5500 . . . . . . . . . . . 6560 1 885 . 1 1 82 82 GLY CA C 13 43.2920 . . . . . . . . . . . 6560 1 886 . 1 1 82 82 GLY N N 15 106.9870 . . . . . . . . . . . 6560 1 887 . 1 1 83 83 LYS H H 1 7.9350 . . . . . . . . . . . 6560 1 888 . 1 1 83 83 LYS HA H 1 4.5100 . . . . . . . . . . . 6560 1 889 . 1 1 83 83 LYS HB2 H 1 2.0800 . . . . . . . . . . . 6560 1 890 . 1 1 83 83 LYS HB3 H 1 2.0600 . . . . . . . . . . . 6560 1 891 . 1 1 83 83 LYS HG2 H 1 1.4100 . . . . . . . . . . . 6560 1 892 . 1 1 83 83 LYS HG3 H 1 1.2900 . . . . . . . . . . . 6560 1 893 . 1 1 83 83 LYS HD2 H 1 1.6400 . . . . . . . . . . . 6560 1 894 . 1 1 83 83 LYS HE2 H 1 2.9700 . . . . . . . . . . . 6560 1 895 . 1 1 83 83 LYS CA C 13 52.6870 . . . . . . . . . . . 6560 1 896 . 1 1 83 83 LYS CB C 13 28.2590 . . . . . . . . . . . 6560 1 897 . 1 1 83 83 LYS CG C 13 22.8100 . . . . . . . . . . . 6560 1 898 . 1 1 83 83 LYS CD C 13 27.5900 . . . . . . . . . . . 6560 1 899 . 1 1 83 83 LYS CE C 13 40.6300 . . . . . . . . . . . 6560 1 900 . 1 1 83 83 LYS N N 15 123.6230 . . . . . . . . . . . 6560 1 901 . 1 1 84 84 VAL H H 1 7.6030 . . . . . . . . . . . 6560 1 902 . 1 1 84 84 VAL HA H 1 3.2400 . . . . . . . . . . . 6560 1 903 . 1 1 84 84 VAL HB H 1 2.0200 . . . . . . . . . . . 6560 1 904 . 1 1 84 84 VAL HG11 H 1 0.8400 . . . . . . . . . . . 6560 1 905 . 1 1 84 84 VAL HG12 H 1 0.8400 . . . . . . . . . . . 6560 1 906 . 1 1 84 84 VAL HG13 H 1 0.8400 . . . . . . . . . . . 6560 1 907 . 1 1 84 84 VAL HG21 H 1 0.7500 . . . . . . . . . . . 6560 1 908 . 1 1 84 84 VAL HG22 H 1 0.7500 . . . . . . . . . . . 6560 1 909 . 1 1 84 84 VAL HG23 H 1 0.7500 . . . . . . . . . . . 6560 1 910 . 1 1 84 84 VAL CA C 13 65.4800 . . . . . . . . . . . 6560 1 911 . 1 1 84 84 VAL CB C 13 29.5510 . . . . . . . . . . . 6560 1 912 . 1 1 84 84 VAL CG1 C 13 18.8300 . . . . . . . . . . . 6560 1 913 . 1 1 84 84 VAL CG2 C 13 17.6200 . . . . . . . . . . . 6560 1 914 . 1 1 84 84 VAL N N 15 121.9290 . . . . . . . . . . . 6560 1 915 . 1 1 85 85 LYS H H 1 8.5520 . . . . . . . . . . . 6560 1 916 . 1 1 85 85 LYS HA H 1 4.3700 . . . . . . . . . . . 6560 1 917 . 1 1 85 85 LYS HB2 H 1 1.8700 . . . . . . . . . . . 6560 1 918 . 1 1 85 85 LYS HB3 H 1 1.8700 . . . . . . . . . . . 6560 1 919 . 1 1 85 85 LYS HG2 H 1 1.5100 . . . . . . . . . . . 6560 1 920 . 1 1 85 85 LYS HD2 H 1 1.7400 . . . . . . . . . . . 6560 1 921 . 1 1 85 85 LYS HE2 H 1 3.0400 . . . . . . . . . . . 6560 1 922 . 1 1 85 85 LYS CA C 13 57.0240 . . . . . . . . . . . 6560 1 923 . 1 1 85 85 LYS CB C 13 29.0540 . . . . . . . . . . . 6560 1 924 . 1 1 85 85 LYS CG C 13 22.6100 . . . . . . . . . . . 6560 1 925 . 1 1 85 85 LYS CD C 13 27.3900 . . . . . . . . . . . 6560 1 926 . 1 1 85 85 LYS CE C 13 40.2800 . . . . . . . . . . . 6560 1 927 . 1 1 85 85 LYS N N 15 119.6430 . . . . . . . . . . . 6560 1 928 . 1 1 86 86 GLU H H 1 9.3770 . . . . . . . . . . . 6560 1 929 . 1 1 86 86 GLU HA H 1 4.0500 . . . . . . . . . . . 6560 1 930 . 1 1 86 86 GLU HB2 H 1 2.1200 . . . . . . . . . . . 6560 1 931 . 1 1 86 86 GLU HB3 H 1 2.0200 . . . . . . . . . . . 6560 1 932 . 1 1 86 86 GLU HG2 H 1 2.5400 . . . . . . . . . . . 6560 1 933 . 1 1 86 86 GLU HG3 H 1 2.3300 . . . . . . . . . . . 6560 1 934 . 1 1 86 86 GLU CA C 13 58.3210 . . . . . . . . . . . 6560 1 935 . 1 1 86 86 GLU CB C 13 26.3840 . . . . . . . . . . . 6560 1 936 . 1 1 86 86 GLU CG C 13 34.5900 . . . . . . . . . . . 6560 1 937 . 1 1 86 86 GLU N N 15 121.3480 . . . . . . . . . . . 6560 1 938 . 1 1 87 87 ALA H H 1 8.4580 . . . . . . . . . . . 6560 1 939 . 1 1 87 87 ALA HA H 1 4.0500 . . . . . . . . . . . 6560 1 940 . 1 1 87 87 ALA HB1 H 1 1.4300 . . . . . . . . . . . 6560 1 941 . 1 1 87 87 ALA HB2 H 1 1.4300 . . . . . . . . . . . 6560 1 942 . 1 1 87 87 ALA HB3 H 1 1.4300 . . . . . . . . . . . 6560 1 943 . 1 1 87 87 ALA CA C 13 53.1930 . . . . . . . . . . . 6560 1 944 . 1 1 87 87 ALA CB C 13 15.8290 . . . . . . . . . . . 6560 1 945 . 1 1 87 87 ALA N N 15 124.1170 . . . . . . . . . . . 6560 1 946 . 1 1 88 88 GLN H H 1 8.6560 . . . . . . . . . . . 6560 1 947 . 1 1 88 88 GLN HA H 1 3.7800 . . . . . . . . . . . 6560 1 948 . 1 1 88 88 GLN HB2 H 1 2.1100 . . . . . . . . . . . 6560 1 949 . 1 1 88 88 GLN HB3 H 1 1.9600 . . . . . . . . . . . 6560 1 950 . 1 1 88 88 GLN HG2 H 1 2.5200 . . . . . . . . . . . 6560 1 951 . 1 1 88 88 GLN HG3 H 1 2.1900 . . . . . . . . . . . 6560 1 952 . 1 1 88 88 GLN HE21 H 1 7.9850 . . . . . . . . . . . 6560 1 953 . 1 1 88 88 GLN HE22 H 1 6.0980 . . . . . . . . . . . 6560 1 954 . 1 1 88 88 GLN CA C 13 57.3820 . . . . . . . . . . . 6560 1 955 . 1 1 88 88 GLN CB C 13 26.4520 . . . . . . . . . . . 6560 1 956 . 1 1 88 88 GLN CG C 13 33.0200 . . . . . . . . . . . 6560 1 957 . 1 1 88 88 GLN N N 15 116.6250 . . . . . . . . . . . 6560 1 958 . 1 1 88 88 GLN NE2 N 15 113.4230 . . . . . . . . . . . 6560 1 959 . 1 1 89 89 ALA H H 1 8.1590 . . . . . . . . . . . 6560 1 960 . 1 1 89 89 ALA HA H 1 4.2200 . . . . . . . . . . . 6560 1 961 . 1 1 89 89 ALA HB1 H 1 1.5600 . . . . . . . . . . . 6560 1 962 . 1 1 89 89 ALA HB2 H 1 1.5600 . . . . . . . . . . . 6560 1 963 . 1 1 89 89 ALA HB3 H 1 1.5600 . . . . . . . . . . . 6560 1 964 . 1 1 89 89 ALA CA C 13 52.6150 . . . . . . . . . . . 6560 1 965 . 1 1 89 89 ALA CB C 13 15.3230 . . . . . . . . . . . 6560 1 966 . 1 1 89 89 ALA N N 15 123.2910 . . . . . . . . . . . 6560 1 967 . 1 1 90 90 ALA H H 1 8.0590 . . . . . . . . . . . 6560 1 968 . 1 1 90 90 ALA HA H 1 4.2100 . . . . . . . . . . . 6560 1 969 . 1 1 90 90 ALA HB1 H 1 1.5300 . . . . . . . . . . . 6560 1 970 . 1 1 90 90 ALA HB2 H 1 1.5300 . . . . . . . . . . . 6560 1 971 . 1 1 90 90 ALA HB3 H 1 1.5300 . . . . . . . . . . . 6560 1 972 . 1 1 90 90 ALA CA C 13 52.5400 . . . . . . . . . . . 6560 1 973 . 1 1 90 90 ALA CB C 13 15.1050 . . . . . . . . . . . 6560 1 974 . 1 1 90 90 ALA N N 15 121.9240 . . . . . . . . . . . 6560 1 975 . 1 1 91 91 ALA H H 1 8.3230 . . . . . . . . . . . 6560 1 976 . 1 1 91 91 ALA HA H 1 4.0100 . . . . . . . . . . . 6560 1 977 . 1 1 91 91 ALA HB1 H 1 1.5500 . . . . . . . . . . . 6560 1 978 . 1 1 91 91 ALA HB2 H 1 1.5500 . . . . . . . . . . . 6560 1 979 . 1 1 91 91 ALA HB3 H 1 1.5500 . . . . . . . . . . . 6560 1 980 . 1 1 91 91 ALA CA C 13 52.1090 . . . . . . . . . . . 6560 1 981 . 1 1 91 91 ALA CB C 13 15.5390 . . . . . . . . . . . 6560 1 982 . 1 1 91 91 ALA N N 15 120.7060 . . . . . . . . . . . 6560 1 983 . 1 1 92 92 GLU H H 1 7.7160 . . . . . . . . . . . 6560 1 984 . 1 1 92 92 GLU HA H 1 4.0980 . . . . . . . . . . . 6560 1 985 . 1 1 92 92 GLU HB2 H 1 2.1700 . . . . . . . . . . . 6560 1 986 . 1 1 92 92 GLU HG2 H 1 2.3700 . . . . . . . . . . . 6560 1 987 . 1 1 92 92 GLU CA C 13 56.8790 . . . . . . . . . . . 6560 1 988 . 1 1 92 92 GLU CB C 13 26.5970 . . . . . . . . . . . 6560 1 989 . 1 1 92 92 GLU CG C 13 33.0300 . . . . . . . . . . . 6560 1 990 . 1 1 92 92 GLU N N 15 117.5750 . . . . . . . . . . . 6560 1 991 . 1 1 93 93 GLN H H 1 7.3960 . . . . . . . . . . . 6560 1 992 . 1 1 93 93 GLN HA H 1 4.2400 . . . . . . . . . . . 6560 1 993 . 1 1 93 93 GLN HB2 H 1 2.2500 . . . . . . . . . . . 6560 1 994 . 1 1 93 93 GLN HB3 H 1 1.9800 . . . . . . . . . . . 6560 1 995 . 1 1 93 93 GLN HG2 H 1 2.4500 . . . . . . . . . . . 6560 1 996 . 1 1 93 93 GLN HE21 H 1 7.6810 . . . . . . . . . . . 6560 1 997 . 1 1 93 93 GLN HE22 H 1 6.4630 . . . . . . . . . . . 6560 1 998 . 1 1 93 93 GLN CA C 13 56.0120 . . . . . . . . . . . 6560 1 999 . 1 1 93 93 GLN CB C 13 26.1630 . . . . . . . . . . . 6560 1 1000 . 1 1 93 93 GLN CG C 13 31.6700 . . . . . . . . . . . 6560 1 1001 . 1 1 93 93 GLN N N 15 117.2520 . . . . . . . . . . . 6560 1 1002 . 1 1 93 93 GLN NE2 N 15 111.7760 . . . . . . . . . . . 6560 1 1003 . 1 1 94 94 LEU H H 1 7.6970 . . . . . . . . . . . 6560 1 1004 . 1 1 94 94 LEU HA H 1 4.0700 . . . . . . . . . . . 6560 1 1005 . 1 1 94 94 LEU HB2 H 1 2.0700 . . . . . . . . . . . 6560 1 1006 . 1 1 94 94 LEU HB3 H 1 1.5900 . . . . . . . . . . . 6560 1 1007 . 1 1 94 94 LEU HG H 1 1.9100 . . . . . . . . . . . 6560 1 1008 . 1 1 94 94 LEU HD11 H 1 0.9400 . . . . . . . . . . . 6560 1 1009 . 1 1 94 94 LEU HD12 H 1 0.9400 . . . . . . . . . . . 6560 1 1010 . 1 1 94 94 LEU HD13 H 1 0.9400 . . . . . . . . . . . 6560 1 1011 . 1 1 94 94 LEU HD21 H 1 0.9100 . . . . . . . . . . . 6560 1 1012 . 1 1 94 94 LEU HD22 H 1 0.9100 . . . . . . . . . . . 6560 1 1013 . 1 1 94 94 LEU HD23 H 1 0.9100 . . . . . . . . . . . 6560 1 1014 . 1 1 94 94 LEU CA C 13 55.4300 . . . . . . . . . . . 6560 1 1015 . 1 1 94 94 LEU CB C 13 39.3890 . . . . . . . . . . . 6560 1 1016 . 1 1 94 94 LEU CG C 13 25.3300 . . . . . . . . . . . 6560 1 1017 . 1 1 94 94 LEU CD1 C 13 21.4500 . . . . . . . . . . . 6560 1 1018 . 1 1 94 94 LEU CD2 C 13 21.4500 . . . . . . . . . . . 6560 1 1019 . 1 1 94 94 LEU N N 15 118.5710 . . . . . . . . . . . 6560 1 1020 . 1 1 95 95 LYS H H 1 7.9690 . . . . . . . . . . . 6560 1 1021 . 1 1 95 95 LYS HA H 1 3.7700 . . . . . . . . . . . 6560 1 1022 . 1 1 95 95 LYS HB2 H 1 1.9500 . . . . . . . . . . . 6560 1 1023 . 1 1 95 95 LYS HB3 H 1 1.9200 . . . . . . . . . . . 6560 1 1024 . 1 1 95 95 LYS HG2 H 1 1.4800 . . . . . . . . . . . 6560 1 1025 . 1 1 95 95 LYS HG3 H 1 1.3900 . . . . . . . . . . . 6560 1 1026 . 1 1 95 95 LYS HD2 H 1 1.7600 . . . . . . . . . . . 6560 1 1027 . 1 1 95 95 LYS HE2 H 1 2.9200 . . . . . . . . . . . 6560 1 1028 . 1 1 95 95 LYS CA C 13 58.1090 . . . . . . . . . . . 6560 1 1029 . 1 1 95 95 LYS CB C 13 30.4280 . . . . . . . . . . . 6560 1 1030 . 1 1 95 95 LYS CG C 13 22.6100 . . . . . . . . . . . 6560 1 1031 . 1 1 95 95 LYS CD C 13 27.8900 . . . . . . . . . . . 6560 1 1032 . 1 1 95 95 LYS CE C 13 39.8300 . . . . . . . . . . . 6560 1 1033 . 1 1 95 95 LYS N N 15 118.1530 . . . . . . . . . . . 6560 1 1034 . 1 1 96 96 THR H H 1 7.5730 . . . . . . . . . . . 6560 1 1035 . 1 1 96 96 THR HA H 1 3.8800 . . . . . . . . . . . 6560 1 1036 . 1 1 96 96 THR HB H 1 4.2800 . . . . . . . . . . . 6560 1 1037 . 1 1 96 96 THR HG21 H 1 0.9700 . . . . . . . . . . . 6560 1 1038 . 1 1 96 96 THR HG22 H 1 0.9700 . . . . . . . . . . . 6560 1 1039 . 1 1 96 96 THR HG23 H 1 0.9700 . . . . . . . . . . . 6560 1 1040 . 1 1 96 96 THR CA C 13 63.9620 . . . . . . . . . . . 6560 1 1041 . 1 1 96 96 THR CB C 13 66.2010 . . . . . . . . . . . 6560 1 1042 . 1 1 96 96 THR CG2 C 13 19.4400 . . . . . . . . . . . 6560 1 1043 . 1 1 97 97 THR H H 1 7.7170 . . . . . . . . . . . 6560 1 1044 . 1 1 97 97 THR HA H 1 3.8700 . . . . . . . . . . . 6560 1 1045 . 1 1 97 97 THR HB H 1 4.2700 . . . . . . . . . . . 6560 1 1046 . 1 1 97 97 THR HG21 H 1 1.5500 . . . . . . . . . . . 6560 1 1047 . 1 1 97 97 THR HG22 H 1 1.5500 . . . . . . . . . . . 6560 1 1048 . 1 1 97 97 THR HG23 H 1 1.5500 . . . . . . . . . . . 6560 1 1049 . 1 1 97 97 THR CA C 13 64.1060 . . . . . . . . . . . 6560 1 1050 . 1 1 97 97 THR CB C 13 65.6980 . . . . . . . . . . . 6560 1 1051 . 1 1 97 97 THR CG2 C 13 18.6500 . . . . . . . . . . . 6560 1 1052 . 1 1 97 97 THR N N 15 120.3610 . . . . . . . . . . . 6560 1 1053 . 1 1 98 98 ILE H H 1 8.4880 . . . . . . . . . . . 6560 1 1054 . 1 1 98 98 ILE HA H 1 3.5100 . . . . . . . . . . . 6560 1 1055 . 1 1 98 98 ILE HB H 1 1.8700 . . . . . . . . . . . 6560 1 1056 . 1 1 98 98 ILE HG12 H 1 1.4200 . . . . . . . . . . . 6560 1 1057 . 1 1 98 98 ILE HG21 H 1 1.0200 . . . . . . . . . . . 6560 1 1058 . 1 1 98 98 ILE HG22 H 1 1.0200 . . . . . . . . . . . 6560 1 1059 . 1 1 98 98 ILE HG23 H 1 1.0200 . . . . . . . . . . . 6560 1 1060 . 1 1 98 98 ILE HD11 H 1 0.8600 . . . . . . . . . . . 6560 1 1061 . 1 1 98 98 ILE HD12 H 1 0.8600 . . . . . . . . . . . 6560 1 1062 . 1 1 98 98 ILE HD13 H 1 0.8600 . . . . . . . . . . . 6560 1 1063 . 1 1 98 98 ILE CA C 13 64.2540 . . . . . . . . . . . 6560 1 1064 . 1 1 98 98 ILE CB C 13 36.1370 . . . . . . . . . . . 6560 1 1065 . 1 1 98 98 ILE CG1 C 13 28.5000 . . . . . . . . . . . 6560 1 1066 . 1 1 98 98 ILE CG2 C 13 14.000 . . . . . . . . . . . 6560 1 1067 . 1 1 98 98 ILE CD1 C 13 13.4030 . . . . . . . . . . . 6560 1 1068 . 1 1 98 98 ILE N N 15 120.6690 . . . . . . . . . . . 6560 1 1069 . 1 1 99 99 ARG H H 1 8.2610 . . . . . . . . . . . 6560 1 1070 . 1 1 99 99 ARG HA H 1 3.9400 . . . . . . . . . . . 6560 1 1071 . 1 1 99 99 ARG HB2 H 1 1.8780 . . . . . . . . . . . 6560 1 1072 . 1 1 99 99 ARG HB3 H 1 1.8400 . . . . . . . . . . . 6560 1 1073 . 1 1 99 99 ARG HG2 H 1 1.7200 . . . . . . . . . . . 6560 1 1074 . 1 1 99 99 ARG HG3 H 1 1.6000 . . . . . . . . . . . 6560 1 1075 . 1 1 99 99 ARG HD2 H 1 3.1400 . . . . . . . . . . . 6560 1 1076 . 1 1 99 99 ARG HD3 H 1 3.1200 . . . . . . . . . . . 6560 1 1077 . 1 1 99 99 ARG HE H 1 7.154 . . . . . . . . . . . 6560 1 1078 . 1 1 99 99 ARG CA C 13 57.0630 . . . . . . . . . . . 6560 1 1079 . 1 1 99 99 ARG CB C 13 27.3990 . . . . . . . . . . . 6560 1 1080 . 1 1 99 99 ARG CG C 13 24.8700 . . . . . . . . . . . 6560 1 1081 . 1 1 99 99 ARG CD C 13 41.3900 . . . . . . . . . . . 6560 1 1082 . 1 1 99 99 ARG N N 15 118.0460 . . . . . . . . . . . 6560 1 1083 . 1 1 100 100 ALA H H 1 7.7850 . . . . . . . . . . . 6560 1 1084 . 1 1 100 100 ALA HA H 1 4.0400 . . . . . . . . . . . 6560 1 1085 . 1 1 100 100 ALA HB1 H 1 1.4900 . . . . . . . . . . . 6560 1 1086 . 1 1 100 100 ALA HB2 H 1 1.4900 . . . . . . . . . . . 6560 1 1087 . 1 1 100 100 ALA HB3 H 1 1.4900 . . . . . . . . . . . 6560 1 1088 . 1 1 100 100 ALA CA C 13 52.7640 . . . . . . . . . . . 6560 1 1089 . 1 1 100 100 ALA CB C 13 15.8460 . . . . . . . . . . . 6560 1 1090 . 1 1 100 100 ALA N N 15 120.4080 . . . . . . . . . . . 6560 1 1091 . 1 1 101 101 TYR H H 1 8.2300 . . . . . . . . . . . 6560 1 1092 . 1 1 101 101 TYR HA H 1 4.3400 . . . . . . . . . . . 6560 1 1093 . 1 1 101 101 TYR HB2 H 1 3.3500 . . . . . . . . . . . 6560 1 1094 . 1 1 101 101 TYR HB3 H 1 3.1600 . . . . . . . . . . . 6560 1 1095 . 1 1 101 101 TYR HD1 H 1 7.0690 . . . . . . . . . . . 6560 1 1096 . 1 1 101 101 TYR HD2 H 1 7.0690 . . . . . . . . . . . 6560 1 1097 . 1 1 101 101 TYR HE1 H 1 6.6150 . . . . . . . . . . . 6560 1 1098 . 1 1 101 101 TYR HE2 H 1 6.6150 . . . . . . . . . . . 6560 1 1099 . 1 1 101 101 TYR CA C 13 58.8330 . . . . . . . . . . . 6560 1 1100 . 1 1 101 101 TYR CB C 13 35.5660 . . . . . . . . . . . 6560 1 1101 . 1 1 101 101 TYR N N 15 117.3530 . . . . . . . . . . . 6560 1 1102 . 1 1 102 102 ASN H H 1 8.6720 . . . . . . . . . . . 6560 1 1103 . 1 1 102 102 ASN HA H 1 3.4600 . . . . . . . . . . . 6560 1 1104 . 1 1 102 102 ASN HB2 H 1 2.3100 . . . . . . . . . . . 6560 1 1105 . 1 1 102 102 ASN HB3 H 1 1.6900 . . . . . . . . . . . 6560 1 1106 . 1 1 102 102 ASN HD21 H 1 7.3220 . . . . . . . . . . . 6560 1 1107 . 1 1 102 102 ASN HD22 H 1 6.7220 . . . . . . . . . . . 6560 1 1108 . 1 1 102 102 ASN CA C 13 54.3660 . . . . . . . . . . . 6560 1 1109 . 1 1 102 102 ASN CB C 13 36.9770 . . . . . . . . . . . 6560 1 1110 . 1 1 102 102 ASN N N 15 120.3820 . . . . . . . . . . . 6560 1 1111 . 1 1 102 102 ASN ND2 N 15 111.0690 . . . . . . . . . . . 6560 1 1112 . 1 1 103 103 GLN H H 1 8.0540 . . . . . . . . . . . 6560 1 1113 . 1 1 103 103 GLN HA H 1 3.9200 . . . . . . . . . . . 6560 1 1114 . 1 1 103 103 GLN HB2 H 1 2.0700 . . . . . . . . . . . 6560 1 1115 . 1 1 103 103 GLN HG2 H 1 2.4100 . . . . . . . . . . . 6560 1 1116 . 1 1 103 103 GLN HG3 H 1 2.2900 . . . . . . . . . . . 6560 1 1117 . 1 1 103 103 GLN HE21 H 1 7.5150 . . . . . . . . . . . 6560 1 1118 . 1 1 103 103 GLN HE22 H 1 6.8680 . . . . . . . . . . . 6560 1 1119 . 1 1 103 103 GLN CA C 13 56.2200 . . . . . . . . . . . 6560 1 1120 . 1 1 103 103 GLN CB C 13 26.1250 . . . . . . . . . . . 6560 1 1121 . 1 1 103 103 GLN CG C 13 31.6700 . . . . . . . . . . . 6560 1 1122 . 1 1 103 103 GLN N N 15 117.7920 . . . . . . . . . . . 6560 1 1123 . 1 1 103 103 GLN NE2 N 15 111.9820 . . . . . . . . . . . 6560 1 1124 . 1 1 104 104 LYS H H 1 7.4440 . . . . . . . . . . . 6560 1 1125 . 1 1 104 104 LYS HA H 1 3.8900 . . . . . . . . . . . 6560 1 1126 . 1 1 104 104 LYS HB2 H 1 1.4900 . . . . . . . . . . . 6560 1 1127 . 1 1 104 104 LYS HB3 H 1 1.1400 . . . . . . . . . . . 6560 1 1128 . 1 1 104 104 LYS HG2 H 1 1.0030 . . . . . . . . . . . 6560 1 1129 . 1 1 104 104 LYS HG3 H 1 0.4900 . . . . . . . . . . . 6560 1 1130 . 1 1 104 104 LYS HD2 H 1 1.3900 . . . . . . . . . . . 6560 1 1131 . 1 1 104 104 LYS HD3 H 1 1.3700 . . . . . . . . . . . 6560 1 1132 . 1 1 104 104 LYS HE2 H 1 2.7800 . . . . . . . . . . . 6560 1 1133 . 1 1 104 104 LYS CA C 13 56.8190 . . . . . . . . . . . 6560 1 1134 . 1 1 104 104 LYS CB C 13 31.6040 . . . . . . . . . . . 6560 1 1135 . 1 1 104 104 LYS CG C 13 22.1500 . . . . . . . . . . . 6560 1 1136 . 1 1 104 104 LYS CD C 13 27.5900 . . . . . . . . . . . 6560 1 1137 . 1 1 104 104 LYS CE C 13 39.8300 . . . . . . . . . . . 6560 1 1138 . 1 1 104 104 LYS N N 15 117.9750 . . . . . . . . . . . 6560 1 1139 . 1 1 105 105 TYR H H 1 8.1030 . . . . . . . . . . . 6560 1 1140 . 1 1 105 105 TYR HA H 1 4.8400 . . . . . . . . . . . 6560 1 1141 . 1 1 105 105 TYR HB2 H 1 3.4600 . . . . . . . . . . . 6560 1 1142 . 1 1 105 105 TYR HB3 H 1 3.1100 . . . . . . . . . . . 6560 1 1143 . 1 1 105 105 TYR HD1 H 1 7.6130 . . . . . . . . . . . 6560 1 1144 . 1 1 105 105 TYR HD2 H 1 7.6130 . . . . . . . . . . . 6560 1 1145 . 1 1 105 105 TYR HE1 H 1 6.9970 . . . . . . . . . . . 6560 1 1146 . 1 1 105 105 TYR HE2 H 1 6.9970 . . . . . . . . . . . 6560 1 1147 . 1 1 105 105 TYR CA C 13 56.5570 . . . . . . . . . . . 6560 1 1148 . 1 1 105 105 TYR CB C 13 37.7550 . . . . . . . . . . . 6560 1 1149 . 1 1 105 105 TYR N N 15 113.4990 . . . . . . . . . . . 6560 1 1150 . 1 1 106 106 GLY H H 1 7.7940 . . . . . . . . . . . 6560 1 1151 . 1 1 106 106 GLY HA2 H 1 3.9700 . . . . . . . . . . . 6560 1 1152 . 1 1 106 106 GLY HA3 H 1 3.8000 . . . . . . . . . . . 6560 1 1153 . 1 1 106 106 GLY CA C 13 43.4060 . . . . . . . . . . . 6560 1 1154 . 1 1 106 106 GLY N N 15 112.9800 . . . . . . . . . . . 6560 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 6560 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 750 _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 . 6560 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 . . . 2 2 ASP H . . . . . . 2 2 ASP HA . . . 6.7 . . 0.5 . . . . . . . . . . . 6560 1 2 3JHNHA . . . 3 3 LEU H . . . . . . 4 4 LEU HA . . . 2.7 . . 0.5 . . . . . . . . . . . 6560 1 3 3JHNHA . . . 4 4 GLU H . . . . . . 5 5 GLU HA . . . 4.3 . . 0.5 . . . . . . . . . . . 6560 1 4 3JHNHA . . . 5 5 ASP H . . . . . . 6 6 ASP HA . . . 5.7 . . 0.5 . . . . . . . . . . . 6560 1 5 3JHNHA . . . 6 6 ASN H . . . . . . 9 9 ASN HA . . . 5.8 . . 0.5 . . . . . . . . . . . 6560 1 6 3JHNHA . . . 7 7 TRP H . . . . . . 10 10 TRP HA . . . 2.9 . . 0.5 . . . . . . . . . . . 6560 1 7 3JHNHA . . . 8 8 GLU H . . . . . . 11 11 GLU HA . . . 4.9 . . 0.5 . . . . . . . . . . . 6560 1 8 3JHNHA . . . 9 9 THR H . . . . . . 13 13 THR HA . . . 3.5 . . 0.5 . . . . . . . . . . . 6560 1 9 3JHNHA . . . 10 10 LEU H . . . . . . 14 14 LEU HA . . . 4.2 . . 0.5 . . . . . . . . . . . 6560 1 10 3JHNHA . . . 11 11 ASN H . . . . . . 15 15 ASN HA . . . 4.4 . . 0.5 . . . . . . . . . . . 6560 1 11 3JHNHA . . . 12 12 ASP H . . . . . . 16 16 ASP HA . . . 3.9 . . 0.5 . . . . . . . . . . . 6560 1 12 3JHNHA . . . 13 13 ASN H . . . . . . 17 17 ASN HA . . . 5.7 . . 0.5 . . . . . . . . . . . 6560 1 13 3JHNHA . . . 14 14 LEU H . . . . . . 20 20 LEU HA . . . 4.0 . . 0.5 . . . . . . . . . . . 6560 1 14 3JHNHA . . . 15 15 LYS H . . . . . . 21 21 LYS HA . . . 4.8 . . 0.5 . . . . . . . . . . . 6560 1 15 3JHNHA . . . 16 16 VAL H . . . . . . 22 22 VAL HA . . . 4.5 . . 0.5 . . . . . . . . . . . 6560 1 16 3JHNHA . . . 17 17 ILE H . . . . . . 24 24 ILE HA . . . 3.8 . . 0.5 . . . . . . . . . . . 6560 1 17 3JHNHA . . . 18 18 GLU H . . . . . . 25 25 GLU HA . . . 3.8 . . 0.5 . . . . . . . . . . . 6560 1 18 3JHNHA . . . 19 19 LYS H . . . . . . 27 27 LYS HA . . . 9.5 . . 0.5 . . . . . . . . . . . 6560 1 19 3JHNHA . . . 20 20 ALA H . . . . . . 28 28 ALA HA . . . 3.4 . . 0.5 . . . . . . . . . . . 6560 1 20 3JHNHA . . . 21 21 ASP H . . . . . . 30 30 ASP HA . . . 10.0 . . 0.5 . . . . . . . . . . . 6560 1 21 3JHNHA . . . 22 22 ASN H . . . . . . 31 31 ASN HA . . . 8.3 . . 0.5 . . . . . . . . . . . 6560 1 22 3JHNHA . . . 23 23 ALA H . . . . . . 34 34 ALA HA . . . 3.0 . . 0.5 . . . . . . . . . . . 6560 1 23 3JHNHA . . . 24 24 ALA H . . . . . . 35 35 ALA HA . . . 4.5 . . 0.5 . . . . . . . . . . . 6560 1 24 3JHNHA . . . 25 25 GLN H . . . . . . 36 36 GLN HA . . . 4.9 . . 0.5 . . . . . . . . . . . 6560 1 25 3JHNHA . . . 26 26 VAL H . . . . . . 38 38 VAL HA . . . 5.8 . . 0.5 . . . . . . . . . . . 6560 1 26 3JHNHA . . . 27 27 LYS H . . . . . . 39 39 LYS HA . . . 3.1 . . 0.5 . . . . . . . . . . . 6560 1 27 3JHNHA . . . 28 28 ASP H . . . . . . 40 40 ASP HA . . . 4.2 . . 0.5 . . . . . . . . . . . 6560 1 28 3JHNHA . . . 29 29 ALA H . . . . . . 41 41 ALA HA . . . 4.5 . . 0.5 . . . . . . . . . . . 6560 1 29 3JHNHA . . . 30 30 LEU H . . . . . . 43 43 LEU HA . . . 4.0 . . 0.5 . . . . . . . . . . . 6560 1 30 3JHNHA . . . 31 31 THR H . . . . . . 44 44 THR HA . . . 4.2 . . 0.5 . . . . . . . . . . . 6560 1 31 3JHNHA . . . 32 32 LYS H . . . . . . 47 47 LYS HA . . . 4.7 . . 0.5 . . . . . . . . . . . 6560 1 32 3JHNHA . . . 33 33 MET H . . . . . . 48 48 MET HA . . . 4.1 . . 0.5 . . . . . . . . . . . 6560 1 33 3JHNHA . . . 34 34 ARG H . . . . . . 50 50 ARG HA . . . 3.0 . . 0.5 . . . . . . . . . . . 6560 1 34 3JHNHA . . . 35 35 ALA H . . . . . . 51 51 ALA HA . . . 4.6 . . 0.5 . . . . . . . . . . . 6560 1 35 3JHNHA . . . 36 36 ALA H . . . . . . 52 52 ALA HA . . . 4.7 . . 0.5 . . . . . . . . . . . 6560 1 36 3JHNHA . . . 37 37 ALA H . . . . . . 54 54 ALA HA . . . 3.8 . . 0.5 . . . . . . . . . . . 6560 1 37 3JHNHA . . . 38 38 LEU H . . . . . . 55 55 LEU HA . . . 4.8 . . 0.5 . . . . . . . . . . . 6560 1 38 3JHNHA . . . 39 39 ASP H . . . . . . 57 57 ASP HA . . . 6.1 . . 0.5 . . . . . . . . . . . 6560 1 39 3JHNHA . . . 40 40 ALA H . . . . . . 58 58 ALA HA . . . 3.3 . . 0.5 . . . . . . . . . . . 6560 1 40 3JHNHA . . . 41 41 GLN H . . . . . . 59 59 GLN HA . . . 3.1 . . 0.5 . . . . . . . . . . . 6560 1 41 3JHNHA . . . 42 42 LYS H . . . . . . 60 60 LYS HA . . . 8.8 . . 0.5 . . . . . . . . . . . 6560 1 42 3JHNHA . . . 43 43 ALA H . . . . . . 61 61 ALA HA . . . 6.8 . . 0.5 . . . . . . . . . . . 6560 1 43 3JHNHA . . . 44 44 THR H . . . . . . 62 62 THR HA . . . 9.9 . . 0.5 . . . . . . . . . . . 6560 1 44 3JHNHA . . . 47 47 LYS H . . . . . . 63 63 LYS HA . . . 5.7 . . 0.5 . . . . . . . . . . . 6560 1 45 3JHNHA . . . 48 48 LEU H . . . . . . 65 65 LEU HA . . . 5.2 . . 0.5 . . . . . . . . . . . 6560 1 46 3JHNHA . . . 50 50 ASP H . . . . . . 67 67 ASP HA . . . 9.0 . . 0.5 . . . . . . . . . . . 6560 1 47 3JHNHA . . . 51 51 LYS H . . . . . . 68 68 LYS HA . . . 6.4 . . 0.5 . . . . . . . . . . . 6560 1 48 3JHNHA . . . 52 52 SER H . . . . . . 69 69 SER HA . . . 4.7 . . 0.5 . . . . . . . . . . . 6560 1 49 3JHNHA . . . 54 54 ASP H . . . . . . 70 70 ASP HA . . . 9.8 . . 0.5 . . . . . . . . . . . 6560 1 50 3JHNHA . . . 55 55 SER H . . . . . . 72 72 SER HA . . . 4.3 . . 0.5 . . . . . . . . . . . 6560 1 51 3JHNHA . . . 58 58 MET H . . . . . . 74 74 MET HA . . . 5.7 . . 0.5 . . . . . . . . . . . 6560 1 52 3JHNHA . . . 59 59 LYS H . . . . . . 75 75 LYS HA . . . 3.2 . . 0.5 . . . . . . . . . . . 6560 1 53 3JHNHA . . . 60 60 ASP H . . . . . . 77 77 ASP HA . . . 4.3 . . 0.5 . . . . . . . . . . . 6560 1 54 3JHNHA . . . 61 61 PHE H . . . . . . 78 78 PHE HA . . . 3.3 . . 0.5 . . . . . . . . . . . 6560 1 55 3JHNHA . . . 62 62 ARG H . . . . . . 79 79 ARG HA . . . 3.8 . . 0.5 . . . . . . . . . . . 6560 1 56 3JHNHA . . . 63 63 HIS H . . . . . . 81 81 HIS HA . . . 3.6 . . 0.5 . . . . . . . . . . . 6560 1 57 3JHNHA . . . 64 64 GLY H . . . . . . 82 82 GLY HA . . . 5.4 . . 0.5 . . . . . . . . . . . 6560 1 58 3JHNHA . . . 65 65 PHE H . . . . . . 83 83 PHE HA . . . 6.9 . . 0.5 . . . . . . . . . . . 6560 1 59 3JHNHA . . . 66 66 ASP H . . . . . . 84 84 ASP HA . . . 5.9 . . 0.5 . . . . . . . . . . . 6560 1 60 3JHNHA . . . 67 67 ILE H . . . . . . 85 85 ILE HA . . . 4.3 . . 0.5 . . . . . . . . . . . 6560 1 61 3JHNHA . . . 68 68 LEU H . . . . . . 87 87 LEU HA . . . 3.3 . . 0.5 . . . . . . . . . . . 6560 1 62 3JHNHA . . . 69 69 VAL H . . . . . . 90 90 VAL HA . . . 4.0 . . 0.5 . . . . . . . . . . . 6560 1 63 3JHNHA . . . 70 70 GLY H . . . . . . 91 91 GLY HA . . . 5.9 . . 0.5 . . . . . . . . . . . 6560 1 64 3JHNHA . . . 71 71 GLN H . . . . . . 92 92 GLN HA . . . 5.6 . . 0.5 . . . . . . . . . . . 6560 1 65 3JHNHA . . . 72 72 ILE H . . . . . . 94 94 ILE HA . . . 4.9 . . 0.5 . . . . . . . . . . . 6560 1 66 3JHNHA . . . 73 73 ASP H . . . . . . 95 95 ASP HA . . . 3.5 . . 0.5 . . . . . . . . . . . 6560 1 67 3JHNHA . . . 74 74 ASP H . . . . . . 96 96 ASP HA . . . 4.7 . . 0.5 . . . . . . . . . . . 6560 1 68 3JHNHA . . . 75 75 ALA H . . . . . . 96 96 ALA HA . . . 5.8 . . 0.5 . . . . . . . . . . . 6560 1 69 3JHNHA . . . 76 76 LEU H . . . . . . 97 97 LEU HA . . . 4.0 . . 0.5 . . . . . . . . . . . 6560 1 70 3JHNHA . . . 77 77 LYS H . . . . . . 98 98 LYS HA . . . 4.6 . . 0.5 . . . . . . . . . . . 6560 1 71 3JHNHA . . . 78 78 LEU H . . . . . . 99 99 LEU HA . . . 5.0 . . 0.5 . . . . . . . . . . . 6560 1 72 3JHNHA . . . 79 79 ALA H . . . . . . 101 101 ALA HA . . . 4.1 . . 0.5 . . . . . . . . . . . 6560 1 73 3JHNHA . . . 80 80 ASN H . . . . . . 102 102 ASN HA . . . 5.0 . . 0.5 . . . . . . . . . . . 6560 1 74 3JHNHA . . . 81 81 GLU H . . . . . . 104 104 GLU HA . . . 8.7 . . 0.5 . . . . . . . . . . . 6560 1 75 3JHNHA . . . 82 82 GLY H . . . . . . 105 105 GLY HA . . . 6.6 . . 0.5 . . . . . . . . . . . 6560 1 76 3JHNHA . . . 83 83 LYS H . . . . . . 105 105 LYS HA . . . 9.0 . . 0.5 . . . . . . . . . . . 6560 1 77 3JHNHA . . . 84 84 VAL H . . . . . . 105 105 VAL HA . . . 4.0 . . 0.5 . . . . . . . . . . . 6560 1 78 3JHNHA . . . 85 85 LYS H . . . . . . 105 105 LYS HA . . . 5.2 . . 0.5 . . . . . . . . . . . 6560 1 79 3JHNHA . . . 86 86 GLU H . . . . . . 105 105 GLU HA . . . 4.5 . . 0.5 . . . . . . . . . . . 6560 1 80 3JHNHA . . . 87 87 ALA H . . . . . . 105 105 ALA HA . . . 5.1 . . 0.5 . . . . . . . . . . . 6560 1 81 3JHNHA . . . 88 88 GLN H . . . . . . 105 105 GLN HA . . . 4.8 . . 0.5 . . . . . . . . . . . 6560 1 82 3JHNHA . . . 89 89 ALA H . . . . . . 105 105 ALA HA . . . 4.6 . . 0.5 . . . . . . . . . . . 6560 1 83 3JHNHA . . . 90 90 ALA H . . . . . . 105 105 ALA HA . . . 5.0 . . 0.5 . . . . . . . . . . . 6560 1 84 3JHNHA . . . 91 91 ALA H . . . . . . 105 105 ALA HA . . . 4.3 . . 0.5 . . . . . . . . . . . 6560 1 85 3JHNHA . . . 92 92 GLU H . . . . . . 105 105 GLU HA . . . 4.7 . . 0.5 . . . . . . . . . . . 6560 1 86 3JHNHA . . . 93 93 GLN H . . . . . . 105 105 GLN HA . . . 6.8 . . 0.5 . . . . . . . . . . . 6560 1 87 3JHNHA . . . 94 94 LEU H . . . . . . 105 105 LEU HA . . . 4.6 . . 0.5 . . . . . . . . . . . 6560 1 88 3JHNHA . . . 95 95 LYS H . . . . . . 105 105 LYS HA . . . 3.3 . . 0.5 . . . . . . . . . . . 6560 1 89 3JHNHA . . . 96 96 THR H . . . . . . 105 105 THR HA . . . 4.7 . . 0.5 . . . . . . . . . . . 6560 1 90 3JHNHA . . . 97 97 THR H . . . . . . 105 105 THR HA . . . 3.0 . . 0.5 . . . . . . . . . . . 6560 1 91 3JHNHA . . . 98 98 ILE H . . . . . . 105 105 ILE HA . . . 3.1 . . 0.5 . . . . . . . . . . . 6560 1 92 3JHNHA . . . 99 99 ARG H . . . . . . 105 105 ARG HA . . . 4.0 . . 0.5 . . . . . . . . . . . 6560 1 93 3JHNHA . . . 100 100 ALA H . . . . . . 105 105 ALA HA . . . 4.1 . . 0.5 . . . . . . . . . . . 6560 1 94 3JHNHA . . . 101 101 TYR H . . . . . . 105 105 TYR HA . . . 5.8 . . 0.5 . . . . . . . . . . . 6560 1 95 3JHNHA . . . 102 102 ASN H . . . . . . 105 105 ASN HA . . . 4.3 . . 0.5 . . . . . . . . . . . 6560 1 96 3JHNHA . . . 103 103 GLN H . . . . . . 105 105 GLN HA . . . 5.4 . . 0.5 . . . . . . . . . . . 6560 1 97 3JHNHA . . . 104 104 LYS H . . . . . . 105 105 LYS HA . . . 5.6 . . 0.5 . . . . . . . . . . . 6560 1 98 3JHNHA . . . 105 105 TYR H . . . . . . 105 105 TYR HA . . . 9.8 . . 0.5 . . . . . . . . . . . 6560 1 99 3JHNHA . . . 106 106 GLY H . . . . . . 105 105 GLY HA . . . 6.5 . . 0.5 . . . . . . . . . . . 6560 1 stop_ save_