data_1672 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1672 _Entry.Title ; 1H and 15N NMR Resonance Assignments and Preliminary Structural Characterization of Escherichia coli Apocytochrome b562 ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yiqing Feng . . . 1672 2 A. Wand . Joshua . 1672 3 Stephen Sligar . G. . 1672 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1672 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 108 1672 '1H chemical shifts' 602 1672 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 5 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1672 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1672 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1672 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1672 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1672 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1672 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Feng, Yiqing, Wand, A. Joshua, Sligar, Stephen G., "1H and 15N NMR Resonance Assignments and Preliminary Structural Characterization of Escherichia coli Apocytochrome b562," Biochemistry 30 (31), 7711-7717 (1991). ; _Citation.Title ; 1H and 15N NMR Resonance Assignments and Preliminary Structural Characterization of Escherichia coli Apocytochrome b562 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 31 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7711 _Citation.Page_last 7717 _Citation.Year 1991 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yiqing Feng . . . 1672 1 2 A. Wand . Joshua . 1672 1 3 Stephen Sligar . G. . 1672 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cytochrome_b562 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cytochrome_b562 _Assembly.Entry_ID 1672 _Assembly.ID 1 _Assembly.Name 'cytochrome 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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'cytochrome b562' 1 $cytochrome_b562 . . . . . . . . . 1672 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cytochrome b562' system 1672 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_b562 _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_b562 _Entity.Entry_ID 1672 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cytochrome 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 ; ADLEDNMETLNDNLKVIEKA DNAAQVKDALTKMRAAALDA QKATPPKLEDKSPDSPEMKD FRHGFDILVGQIDDALKLAN EGKVKEAQAAAEQLKTTRNA YHQKYR ; _Entity.Polymer_seq_one_letter_code ; ADLEDNMETLNDNLKVIEKA DNAAQVKDALTKMRAAALDA QKATPPKLEDKSPDSPEMKD FRHGFDILVGQIDDALKLAN EGKVKEAQAAAEQLKTTRNA YHQKYR ; _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 . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1APC . "Solution Structure Of Apocytochrome B562" . . . . . 100.00 106 100.00 100.00 3.01e-68 . . . . 1672 1 2 no PDB 1LM3 . "A Multi-Generation Analysis Of Cytochrome B562 Redox Variants: Evolutionary Strategies For Modulating Redox Potential Revealed " . . . . . 99.06 106 98.10 99.05 7.58e-66 . . . . 1672 1 3 no PDB 1M6T . "Crystal Structure Of B562ril, A Redesigned Four Helix Bundle" . . . . . 99.06 106 98.10 98.10 7.82e-65 . . . . 1672 1 4 no PDB 1QPU . "Solution Structure Of Oxidized Escherichia Coli Cytochrome B562" . . . . . 100.00 106 100.00 100.00 3.01e-68 . . . . 1672 1 5 no PDB 1QQ3 . "The Solution Structure Of The Heme Binding Variant Arg98cys Of Oxidized Escherichia Coli Cytochrome B562" . . . . . 100.00 106 99.06 99.06 4.91e-67 . . . . 1672 1 6 no PDB 256B . "Improvement Of The 2.5 Angstroms Resolution Model Of Cytochrome B562 By Redetermining The Primary Structure And Using Molecular" . . . . . 100.00 106 100.00 100.00 3.01e-68 . . . . 1672 1 7 no PDB 2BC5 . "Crystal Structure Of E. Coli Cytochrome B562 With Engineered C-Type Heme Linkages" . . . . . 100.00 106 97.17 97.17 4.11e-65 . . . . 1672 1 8 no PDB 3U8P . "Cytochrome B562 Integral Fusion With Egfp" . . . . . 100.00 347 100.00 100.00 2.47e-65 . . . . 1672 1 9 no PDB 4EA3 . "Structure Of The NOFQ OPIOID RECEPTOR IN COMPLEX WITH A PEPTIDE Mimetic" . . . . . 99.06 434 98.10 98.10 2.98e-64 . . . . 1672 1 10 no PDB 4EIY . "Crystal Structure Of The Chimeric Protein Of A2aar-Bril In Complex With Zm241385 At 1.8a Resolution" . . . . . 99.06 447 98.10 98.10 4.02e-64 . . . . 1672 1 11 no PDB 4IAQ . "Crystal Structure Of The Chimeric Protein Of 5-ht1b-bril In Complex With Dihydroergotamine (psi Community Target)" . . . . . 99.06 403 98.10 98.10 1.42e-64 . . . . 1672 1 12 no PDB 4IAR . "Crystal Structure Of The Chimeric Protein Of 5-ht1b-bril In Complex With Ergotamine (psi Community Target)" . . . . . 99.06 401 98.10 98.10 1.35e-64 . . . . 1672 1 13 no PDB 4IB4 . "Crystal Structure Of The Chimeric Protein Of 5-ht2b-bril In Complex With Ergotamine" . . . . . 99.06 430 98.10 98.10 7.92e-63 . . . . 1672 1 14 no PDB 4JKV . "Structure Of The Human Smoothened 7tm Receptor In Complex With An Antitumor Agent" . . . . . 99.06 475 98.10 98.10 7.50e-64 . . . . 1672 1 15 no PDB 4L6R . "Structure Of The Class B Human Glucagon G Protein Coupled Receptor" . . . . . 99.06 425 98.10 98.10 3.39e-64 . . . . 1672 1 16 no PDB 4N4W . "Structure Of The Human Smoothened Receptor In Complex With Sant-1" . . . . . 99.06 475 98.10 98.10 7.50e-64 . . . . 1672 1 17 no PDB 4N6H . "1.8 A Structure Of The Human Delta Opioid 7tm Receptor (psi Community Target)" . . . . . 99.06 414 98.10 98.10 1.85e-64 . . . . 1672 1 18 no PDB 4NC3 . "Crystal Structure Of The 5-ht2b Receptor Solved Using Serial Femtosecond Crystallography In Lipidic Cubic Phase" . . . . . 99.06 430 98.10 98.10 7.92e-63 . . . . 1672 1 19 no PDB 4NTJ . "Structure Of The Human P2y12 Receptor In Complex With An Antithrombotic Drug" . . . . . 99.06 466 98.10 98.10 6.40e-63 . . . . 1672 1 20 no PDB 4O9R . "Human Smoothened Receptor Structure In Complex With Cyclopamine" . . . . . 99.06 468 98.10 98.10 6.43e-64 . . . . 1672 1 21 no PDB 4OR2 . "Human Class C G Protein-coupled Metabotropic Glutamate Receptor 1 In Complex With A Negative Allosteric Modulator" . . . . . 99.06 389 98.10 98.10 1.00e-64 . . . . 1672 1 22 no PDB 4PXZ . "Crystal Structure Of P2y12 Receptor In Complex With 2mesadp" . . . . . 99.06 466 98.10 98.10 6.40e-63 . . . . 1672 1 23 no PDB 4PY0 . "Crystal Structure Of P2y12 Receptor In Complex With 2mesatp" . . . . . 99.06 466 98.10 98.10 6.40e-63 . . . . 1672 1 24 no PDB 4QIM . "Structure Of The Human Smoothened Receptor In Complex With Anta Xv" . . . . . 99.06 468 98.10 98.10 6.43e-64 . . . . 1672 1 25 no PDB 4QIN . "Structure Of The Human Smoothened Receptor In Complex With Sag1.5" . . . . . 99.06 468 98.10 98.10 6.43e-64 . . . . 1672 1 26 no PDB 4RWA . "Synchrotron Structure Of The Human Delta Opioid Receptor In Complex With A Bifunctional Peptide (psi Community Target)" . . . . . 99.06 411 98.10 98.10 1.72e-64 . . . . 1672 1 27 no PDB 4RWD . "Xfel Structure Of The Human Delta Opioid Receptor In Complex With A Bifunctional Peptide" . . . . . 99.06 411 98.10 98.10 1.72e-64 . . . . 1672 1 28 no PDB 4YAY . "Xfel Structure Of Human Angiotensin Receptor" . . . . . 99.06 414 98.10 98.10 1.85e-64 . . . . 1672 1 29 no PDB 4Z34 . "Crystal Structure Of Human Lysophosphatidic Acid Receptor 1 In Complex With Ono9780307" . . . . . 99.06 464 98.10 98.10 5.89e-64 . . . . 1672 1 30 no PDB 4Z35 . "Crystal Structure Of Human Lysophosphatidic Acid Receptor 1 In Complex With Ono-9910539" . . . . . 99.06 464 98.10 98.10 5.89e-64 . . . . 1672 1 31 no PDB 4ZUD . "Crystal Structure Of Human Angiotensin Receptor In Complex With Inverse Agonist Olmesartan At 2.8a Resolution" . . . . . 99.06 410 98.10 98.10 1.68e-64 . . . . 1672 1 32 no PDB 5AWI . "Domain-swapped Cytochrome Cb562 Dimer" . . . . . 100.00 106 98.11 98.11 6.51e-66 . . . . 1672 1 33 no PDB 5DHG . "The Crystal Structure Of Nociceptin/orphanin Fq Peptide Receptor (nop) In Complex With C-35 (psi Community Target)" . . . . . 99.06 424 98.10 98.10 2.85e-64 . . . . 1672 1 34 no PDB 5DHH . "The Crystal Structure Of Nociceptin/orphanin Fq Peptide Receptor (nop) In Complex With Sb-612111 (psi Community Target)" . . . . . 99.06 424 98.10 98.10 2.85e-64 . . . . 1672 1 35 no DBJ BAB38636 . "cytochrome b(562) [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.34 100 97.00 100.00 7.23e-63 . . . . 1672 1 36 no DBJ BAG80065 . "cytochrome b562 [Escherichia coli SE11]" . . . . . 100.00 128 100.00 100.00 6.85e-69 . . . . 1672 1 37 no DBJ BAI28542 . "cytochrome b562 [Escherichia coli O26:H11 str. 11368]" . . . . . 98.11 130 99.04 99.04 1.07e-65 . . . . 1672 1 38 no DBJ BAI33713 . "cytochrome b562 [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 128 99.06 99.06 4.00e-68 . . . . 1672 1 39 no DBJ BAI38842 . "cytochrome b562 [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 128 100.00 100.00 6.85e-69 . . . . 1672 1 40 no EMBL CAA47706 . "cytochrome b562 [Escherichia coli]" . . . . . 100.00 128 100.00 100.00 6.85e-69 . . . . 1672 1 41 no EMBL CAP78754 . "Soluble cytochrome b562 [Escherichia coli LF82]" . . . . . 100.00 128 97.17 98.11 3.28e-67 . . . . 1672 1 42 no EMBL CAQ34585 . "cytochrome b562 (soluble) [Escherichia coli BL21(DE3)]" . . . . . 94.34 100 100.00 100.00 4.34e-64 . . . . 1672 1 43 no EMBL CAQ91733 . "soluble cytochrome b562 [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 128 98.11 99.06 9.37e-68 . . . . 1672 1 44 no EMBL CAR01210 . "soluble cytochrome b562 [Escherichia coli IAI1]" . . . . . 100.00 128 100.00 100.00 6.85e-69 . . . . 1672 1 45 no GB AAA97133 . "cytochrome b562 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.34 100 97.00 100.00 7.23e-63 . . . . 1672 1 46 no GB AAB20782 . "cytochrome b562 [Escherichia coli]" . . . . . 100.00 128 100.00 100.00 6.85e-69 . . . . 1672 1 47 no GB AAG59433 . "cytochrome b (562) [Escherichia coli O157:H7 str. EDL933]" . . . . . 94.34 100 97.00 100.00 7.23e-63 . . . . 1672 1 48 no GB AAN45672 . "Soluble cytochrome B562 precursor [Shigella flexneri 2a str. 301]" . . . . . 80.19 114 98.82 98.82 6.04e-51 . . . . 1672 1 49 no GB AAN83756 . "Soluble cytochrome b562 precursor [Escherichia coli CFT073]" . . . . . 100.00 128 97.17 98.11 3.28e-67 . . . . 1672 1 50 no PIR E86121 . "cytochrome b (562) [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 94.34 100 97.00 100.00 7.23e-63 . . . . 1672 1 51 no PIR E91280 . "cytochrome b(562) [imported] - Escherichia coli (strain O157:H7, substrain RIMD 0509952)" . . . . . 94.34 100 97.00 100.00 7.23e-63 . . . . 1672 1 52 no REF NP_313240 . "cytochrome b(562) [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 97.17 100.00 1.31e-67 . . . . 1672 1 53 no REF NP_709965 . "soluble cytochrome B562 [Shigella flexneri 2a str. 301]" . . . . . 80.19 114 98.82 98.82 6.04e-51 . . . . 1672 1 54 no REF WP_000112424 . "cytochrome b562, partial [Escherichia coli]" . . . . . 96.23 102 100.00 100.00 1.41e-65 . . . . 1672 1 55 no REF WP_000315974 . "cytochrome b562, partial [Escherichia coli]" . . . . . 96.23 103 100.00 100.00 1.25e-65 . . . . 1672 1 56 no REF WP_000319497 . "cytochrome b562, partial [Escherichia coli]" . . . . . 98.11 106 99.04 99.04 2.72e-66 . . . . 1672 1 57 no SP P0ABE7 . "RecName: Full=Soluble cytochrome b562; Short=Cytochrome b-562; Flags: Precursor" . . . . . 100.00 128 100.00 100.00 6.85e-69 . . . . 1672 1 58 no SP P0ABE8 . "RecName: Full=Soluble cytochrome b562; Short=Cytochrome b-562; Flags: Precursor" . . . . . 100.00 128 97.17 100.00 1.31e-67 . . . . 1672 1 59 no SP Q8CVG7 . "RecName: Full=Soluble cytochrome b562; Short=Cytochrome b-562; Flags: Precursor" . . . . . 100.00 128 97.17 98.11 3.28e-67 . . . . 1672 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'apo form' variant 1672 1 'cytochrome b562' common 1672 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 . 1672 1 2 . ASP . 1672 1 3 . LEU . 1672 1 4 . GLU . 1672 1 5 . ASP . 1672 1 6 . ASN . 1672 1 7 . MET . 1672 1 8 . GLU . 1672 1 9 . THR . 1672 1 10 . LEU . 1672 1 11 . ASN . 1672 1 12 . ASP . 1672 1 13 . ASN . 1672 1 14 . LEU . 1672 1 15 . LYS . 1672 1 16 . VAL . 1672 1 17 . ILE . 1672 1 18 . GLU . 1672 1 19 . LYS . 1672 1 20 . ALA . 1672 1 21 . ASP . 1672 1 22 . ASN . 1672 1 23 . ALA . 1672 1 24 . ALA . 1672 1 25 . GLN . 1672 1 26 . VAL . 1672 1 27 . LYS . 1672 1 28 . ASP . 1672 1 29 . ALA . 1672 1 30 . LEU . 1672 1 31 . THR . 1672 1 32 . LYS . 1672 1 33 . MET . 1672 1 34 . ARG . 1672 1 35 . ALA . 1672 1 36 . ALA . 1672 1 37 . ALA . 1672 1 38 . LEU . 1672 1 39 . ASP . 1672 1 40 . ALA . 1672 1 41 . GLN . 1672 1 42 . LYS . 1672 1 43 . ALA . 1672 1 44 . THR . 1672 1 45 . PRO . 1672 1 46 . PRO . 1672 1 47 . LYS . 1672 1 48 . LEU . 1672 1 49 . GLU . 1672 1 50 . ASP . 1672 1 51 . LYS . 1672 1 52 . SER . 1672 1 53 . PRO . 1672 1 54 . ASP . 1672 1 55 . SER . 1672 1 56 . PRO . 1672 1 57 . GLU . 1672 1 58 . MET . 1672 1 59 . LYS . 1672 1 60 . ASP . 1672 1 61 . PHE . 1672 1 62 . ARG . 1672 1 63 . HIS . 1672 1 64 . GLY . 1672 1 65 . PHE . 1672 1 66 . ASP . 1672 1 67 . ILE . 1672 1 68 . LEU . 1672 1 69 . VAL . 1672 1 70 . GLY . 1672 1 71 . GLN . 1672 1 72 . ILE . 1672 1 73 . ASP . 1672 1 74 . ASP . 1672 1 75 . ALA . 1672 1 76 . LEU . 1672 1 77 . LYS . 1672 1 78 . LEU . 1672 1 79 . ALA . 1672 1 80 . ASN . 1672 1 81 . GLU . 1672 1 82 . GLY . 1672 1 83 . LYS . 1672 1 84 . VAL . 1672 1 85 . LYS . 1672 1 86 . GLU . 1672 1 87 . ALA . 1672 1 88 . GLN . 1672 1 89 . ALA . 1672 1 90 . ALA . 1672 1 91 . ALA . 1672 1 92 . GLU . 1672 1 93 . GLN . 1672 1 94 . LEU . 1672 1 95 . LYS . 1672 1 96 . THR . 1672 1 97 . THR . 1672 1 98 . ARG . 1672 1 99 . ASN . 1672 1 100 . ALA . 1672 1 101 . TYR . 1672 1 102 . HIS . 1672 1 103 . GLN . 1672 1 104 . LYS . 1672 1 105 . TYR . 1672 1 106 . ARG . 1672 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 1672 1 . ASP 2 2 1672 1 . LEU 3 3 1672 1 . GLU 4 4 1672 1 . ASP 5 5 1672 1 . ASN 6 6 1672 1 . MET 7 7 1672 1 . GLU 8 8 1672 1 . THR 9 9 1672 1 . LEU 10 10 1672 1 . ASN 11 11 1672 1 . ASP 12 12 1672 1 . ASN 13 13 1672 1 . LEU 14 14 1672 1 . LYS 15 15 1672 1 . VAL 16 16 1672 1 . ILE 17 17 1672 1 . GLU 18 18 1672 1 . LYS 19 19 1672 1 . ALA 20 20 1672 1 . ASP 21 21 1672 1 . ASN 22 22 1672 1 . ALA 23 23 1672 1 . ALA 24 24 1672 1 . GLN 25 25 1672 1 . VAL 26 26 1672 1 . LYS 27 27 1672 1 . ASP 28 28 1672 1 . ALA 29 29 1672 1 . LEU 30 30 1672 1 . THR 31 31 1672 1 . LYS 32 32 1672 1 . MET 33 33 1672 1 . ARG 34 34 1672 1 . ALA 35 35 1672 1 . ALA 36 36 1672 1 . ALA 37 37 1672 1 . LEU 38 38 1672 1 . ASP 39 39 1672 1 . ALA 40 40 1672 1 . GLN 41 41 1672 1 . LYS 42 42 1672 1 . ALA 43 43 1672 1 . THR 44 44 1672 1 . PRO 45 45 1672 1 . PRO 46 46 1672 1 . LYS 47 47 1672 1 . LEU 48 48 1672 1 . GLU 49 49 1672 1 . ASP 50 50 1672 1 . LYS 51 51 1672 1 . SER 52 52 1672 1 . PRO 53 53 1672 1 . ASP 54 54 1672 1 . SER 55 55 1672 1 . PRO 56 56 1672 1 . GLU 57 57 1672 1 . MET 58 58 1672 1 . LYS 59 59 1672 1 . ASP 60 60 1672 1 . PHE 61 61 1672 1 . ARG 62 62 1672 1 . HIS 63 63 1672 1 . GLY 64 64 1672 1 . PHE 65 65 1672 1 . ASP 66 66 1672 1 . ILE 67 67 1672 1 . LEU 68 68 1672 1 . VAL 69 69 1672 1 . GLY 70 70 1672 1 . GLN 71 71 1672 1 . ILE 72 72 1672 1 . ASP 73 73 1672 1 . ASP 74 74 1672 1 . ALA 75 75 1672 1 . LEU 76 76 1672 1 . LYS 77 77 1672 1 . LEU 78 78 1672 1 . ALA 79 79 1672 1 . ASN 80 80 1672 1 . GLU 81 81 1672 1 . GLY 82 82 1672 1 . LYS 83 83 1672 1 . VAL 84 84 1672 1 . LYS 85 85 1672 1 . GLU 86 86 1672 1 . ALA 87 87 1672 1 . GLN 88 88 1672 1 . ALA 89 89 1672 1 . ALA 90 90 1672 1 . ALA 91 91 1672 1 . GLU 92 92 1672 1 . GLN 93 93 1672 1 . LEU 94 94 1672 1 . LYS 95 95 1672 1 . THR 96 96 1672 1 . THR 97 97 1672 1 . ARG 98 98 1672 1 . ASN 99 99 1672 1 . ALA 100 100 1672 1 . TYR 101 101 1672 1 . HIS 102 102 1672 1 . GLN 103 103 1672 1 . LYS 104 104 1672 1 . TYR 105 105 1672 1 . ARG 106 106 1672 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 1672 _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 $cytochrome_b562 . 354 organism . 'Azotobacter vinelandii' . . . Bacteria . Azotobacter vinelandii 'ATCC 13705' . . . . . . . . . . . . . . . . . . . . 1672 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 1672 _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 $cytochrome_b562 . 'not available' 'Escherichia coli' . . . Escherichia coli TB-1 . . . . . . . . . . . . . . . . . . . . . . 1672 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1672 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1672 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.2 . na 1672 1 temperature 293 . K 1672 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1672 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1672 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1672 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 1672 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1672 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1672 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1672 1 N . 'external [15]NH4Cl' . . . . . . 24.93 . . . . . . 1 $entry_citation . . 1 $entry_citation 1672 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1672 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 1672 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 4.18 . . 1 . . . . . . . . 1672 1 2 . 1 1 1 1 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 1672 1 3 . 1 1 1 1 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 1672 1 4 . 1 1 1 1 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 1672 1 5 . 1 1 2 2 ASP H H 1 8.98 . . 1 . . . . . . . . 1672 1 6 . 1 1 2 2 ASP HA H 1 4.68 . . 1 . . . . . . . . 1672 1 7 . 1 1 2 2 ASP HB2 H 1 2.91 . . 2 . . . . . . . . 1672 1 8 . 1 1 2 2 ASP HB3 H 1 3.04 . . 2 . . . . . . . . 1672 1 9 . 1 1 2 2 ASP N N 15 124 . . 1 . . . . . . . . 1672 1 10 . 1 1 3 3 LEU H H 1 8.76 . . 1 . . . . . . . . 1672 1 11 . 1 1 3 3 LEU HA H 1 4.09 . . 1 . . . . . . . . 1672 1 12 . 1 1 3 3 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 1672 1 13 . 1 1 3 3 LEU HB3 H 1 1.92 . . 2 . . . . . . . . 1672 1 14 . 1 1 3 3 LEU HG H 1 1.73 . . 1 . . . . . . . . 1672 1 15 . 1 1 3 3 LEU HD11 H 1 1.04 . . 2 . . . . . . . . 1672 1 16 . 1 1 3 3 LEU HD12 H 1 1.04 . . 2 . . . . . . . . 1672 1 17 . 1 1 3 3 LEU HD13 H 1 1.04 . . 2 . . . . . . . . 1672 1 18 . 1 1 3 3 LEU HD21 H 1 1.18 . . 2 . . . . . . . . 1672 1 19 . 1 1 3 3 LEU HD22 H 1 1.18 . . 2 . . . . . . . . 1672 1 20 . 1 1 3 3 LEU HD23 H 1 1.18 . . 2 . . . . . . . . 1672 1 21 . 1 1 3 3 LEU N N 15 126.4 . . 1 . . . . . . . . 1672 1 22 . 1 1 4 4 GLU H H 1 8.77 . . 1 . . . . . . . . 1672 1 23 . 1 1 4 4 GLU HA H 1 4.1 . . 1 . . . . . . . . 1672 1 24 . 1 1 4 4 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 1672 1 25 . 1 1 4 4 GLU HB3 H 1 2.52 . . 2 . . . . . . . . 1672 1 26 . 1 1 4 4 GLU N N 15 121.6 . . 1 . . . . . . . . 1672 1 27 . 1 1 5 5 ASP H H 1 8.06 . . 1 . . . . . . . . 1672 1 28 . 1 1 5 5 ASP HA H 1 4.52 . . 1 . . . . . . . . 1672 1 29 . 1 1 5 5 ASP HB2 H 1 2.83 . . 1 . . . . . . . . 1672 1 30 . 1 1 5 5 ASP HB3 H 1 2.83 . . 1 . . . . . . . . 1672 1 31 . 1 1 5 5 ASP N N 15 123.9 . . 1 . . . . . . . . 1672 1 32 . 1 1 6 6 ASN H H 1 8.08 . . 1 . . . . . . . . 1672 1 33 . 1 1 6 6 ASN HA H 1 4.61 . . 1 . . . . . . . . 1672 1 34 . 1 1 6 6 ASN HB2 H 1 2.61 . . 2 . . . . . . . . 1672 1 35 . 1 1 6 6 ASN HB3 H 1 2.77 . . 2 . . . . . . . . 1672 1 36 . 1 1 6 6 ASN ND2 N 15 118.5 . . 1 . . . . . . . . 1672 1 37 . 1 1 6 6 ASN HD21 H 1 6.37 . . 2 . . . . . . . . 1672 1 38 . 1 1 6 6 ASN HD22 H 1 8.42 . . 2 . . . . . . . . 1672 1 39 . 1 1 6 6 ASN N N 15 121.9 . . 1 . . . . . . . . 1672 1 40 . 1 1 7 7 MET H H 1 8.67 . . 1 . . . . . . . . 1672 1 41 . 1 1 7 7 MET HA H 1 4.55 . . 1 . . . . . . . . 1672 1 42 . 1 1 7 7 MET HB2 H 1 2.41 . . 1 . . . . . . . . 1672 1 43 . 1 1 7 7 MET HB3 H 1 2.41 . . 1 . . . . . . . . 1672 1 44 . 1 1 7 7 MET N N 15 122.3 . . 1 . . . . . . . . 1672 1 45 . 1 1 8 8 GLU H H 1 8.35 . . 1 . . . . . . . . 1672 1 46 . 1 1 8 8 GLU HA H 1 4.28 . . 1 . . . . . . . . 1672 1 47 . 1 1 8 8 GLU HB2 H 1 2.33 . . 2 . . . . . . . . 1672 1 48 . 1 1 8 8 GLU HB3 H 1 2.57 . . 2 . . . . . . . . 1672 1 49 . 1 1 8 8 GLU N N 15 126.3 . . 1 . . . . . . . . 1672 1 50 . 1 1 9 9 THR H H 1 8.43 . . 1 . . . . . . . . 1672 1 51 . 1 1 9 9 THR HA H 1 4.12 . . 1 . . . . . . . . 1672 1 52 . 1 1 9 9 THR HB H 1 4.46 . . 1 . . . . . . . . 1672 1 53 . 1 1 9 9 THR HG21 H 1 1.2 . . 1 . . . . . . . . 1672 1 54 . 1 1 9 9 THR HG22 H 1 1.2 . . 1 . . . . . . . . 1672 1 55 . 1 1 9 9 THR HG23 H 1 1.2 . . 1 . . . . . . . . 1672 1 56 . 1 1 9 9 THR N N 15 121.6 . . 1 . . . . . . . . 1672 1 57 . 1 1 10 10 LEU H H 1 8.24 . . 1 . . . . . . . . 1672 1 58 . 1 1 10 10 LEU HA H 1 4.06 . . 1 . . . . . . . . 1672 1 59 . 1 1 10 10 LEU HB2 H 1 1.98 . . 2 . . . . . . . . 1672 1 60 . 1 1 10 10 LEU HB3 H 1 2.23 . . 2 . . . . . . . . 1672 1 61 . 1 1 10 10 LEU HD11 H 1 1.01 . . 1 . . . . . . . . 1672 1 62 . 1 1 10 10 LEU HD12 H 1 1.01 . . 1 . . . . . . . . 1672 1 63 . 1 1 10 10 LEU HD13 H 1 1.01 . . 1 . . . . . . . . 1672 1 64 . 1 1 10 10 LEU HD21 H 1 1.01 . . 1 . . . . . . . . 1672 1 65 . 1 1 10 10 LEU HD22 H 1 1.01 . . 1 . . . . . . . . 1672 1 66 . 1 1 10 10 LEU HD23 H 1 1.01 . . 1 . . . . . . . . 1672 1 67 . 1 1 10 10 LEU N N 15 126.8 . . 1 . . . . . . . . 1672 1 68 . 1 1 11 11 ASN H H 1 8.14 . . 1 . . . . . . . . 1672 1 69 . 1 1 11 11 ASN HA H 1 4.46 . . 1 . . . . . . . . 1672 1 70 . 1 1 11 11 ASN HB2 H 1 2.9 . . 2 . . . . . . . . 1672 1 71 . 1 1 11 11 ASN HB3 H 1 3.02 . . 2 . . . . . . . . 1672 1 72 . 1 1 11 11 ASN ND2 N 15 118.8 . . 1 . . . . . . . . 1672 1 73 . 1 1 11 11 ASN HD21 H 1 7.09 . . 2 . . . . . . . . 1672 1 74 . 1 1 11 11 ASN HD22 H 1 7.9 . . 2 . . . . . . . . 1672 1 75 . 1 1 11 11 ASN N N 15 121.5 . . 1 . . . . . . . . 1672 1 76 . 1 1 12 12 ASP H H 1 9.32 . . 1 . . . . . . . . 1672 1 77 . 1 1 12 12 ASP HA H 1 4.43 . . 1 . . . . . . . . 1672 1 78 . 1 1 12 12 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 1672 1 79 . 1 1 12 12 ASP HB3 H 1 2.9 . . 2 . . . . . . . . 1672 1 80 . 1 1 12 12 ASP N N 15 123.6 . . 1 . . . . . . . . 1672 1 81 . 1 1 13 13 ASN H H 1 7.94 . . 1 . . . . . . . . 1672 1 82 . 1 1 13 13 ASN HA H 1 4.58 . . 1 . . . . . . . . 1672 1 83 . 1 1 13 13 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 1672 1 84 . 1 1 13 13 ASN HB3 H 1 2.71 . . 2 . . . . . . . . 1672 1 85 . 1 1 13 13 ASN N N 15 120.9 . . 1 . . . . . . . . 1672 1 86 . 1 1 14 14 LEU H H 1 8.15 . . 1 . . . . . . . . 1672 1 87 . 1 1 14 14 LEU HA H 1 4.15 . . 1 . . . . . . . . 1672 1 88 . 1 1 14 14 LEU HB2 H 1 1.76 . . 2 . . . . . . . . 1672 1 89 . 1 1 14 14 LEU HB3 H 1 1.87 . . 2 . . . . . . . . 1672 1 90 . 1 1 14 14 LEU N N 15 127.1 . . 1 . . . . . . . . 1672 1 91 . 1 1 15 15 LYS H H 1 7.42 . . 1 . . . . . . . . 1672 1 92 . 1 1 15 15 LYS HA H 1 4.17 . . 1 . . . . . . . . 1672 1 93 . 1 1 15 15 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 1672 1 94 . 1 1 15 15 LYS HB3 H 1 2.07 . . 2 . . . . . . . . 1672 1 95 . 1 1 15 15 LYS N N 15 122 . . 1 . . . . . . . . 1672 1 96 . 1 1 16 16 VAL H H 1 7.3 . . 1 . . . . . . . . 1672 1 97 . 1 1 16 16 VAL HA H 1 3.6 . . 1 . . . . . . . . 1672 1 98 . 1 1 16 16 VAL HB H 1 2.47 . . 1 . . . . . . . . 1672 1 99 . 1 1 16 16 VAL HG11 H 1 .99 . . 2 . . . . . . . . 1672 1 100 . 1 1 16 16 VAL HG12 H 1 .99 . . 2 . . . . . . . . 1672 1 101 . 1 1 16 16 VAL HG13 H 1 .99 . . 2 . . . . . . . . 1672 1 102 . 1 1 16 16 VAL HG21 H 1 1.15 . . 2 . . . . . . . . 1672 1 103 . 1 1 16 16 VAL HG22 H 1 1.15 . . 2 . . . . . . . . 1672 1 104 . 1 1 16 16 VAL HG23 H 1 1.15 . . 2 . . . . . . . . 1672 1 105 . 1 1 16 16 VAL N N 15 122.6 . . 1 . . . . . . . . 1672 1 106 . 1 1 17 17 ILE H H 1 7.97 . . 1 . . . . . . . . 1672 1 107 . 1 1 17 17 ILE HA H 1 3.43 . . 1 . . . . . . . . 1672 1 108 . 1 1 17 17 ILE HB H 1 2.17 . . 1 . . . . . . . . 1672 1 109 . 1 1 17 17 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 1672 1 110 . 1 1 17 17 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 1672 1 111 . 1 1 17 17 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 1672 1 112 . 1 1 17 17 ILE HD11 H 1 .89 . . 1 . . . . . . . . 1672 1 113 . 1 1 17 17 ILE HD12 H 1 .89 . . 1 . . . . . . . . 1672 1 114 . 1 1 17 17 ILE HD13 H 1 .89 . . 1 . . . . . . . . 1672 1 115 . 1 1 17 17 ILE N N 15 123.2 . . 1 . . . . . . . . 1672 1 116 . 1 1 18 18 GLU H H 1 8.05 . . 1 . . . . . . . . 1672 1 117 . 1 1 18 18 GLU HA H 1 3.98 . . 1 . . . . . . . . 1672 1 118 . 1 1 18 18 GLU HB2 H 1 2.34 . . 1 . . . . . . . . 1672 1 119 . 1 1 18 18 GLU HB3 H 1 2.34 . . 1 . . . . . . . . 1672 1 120 . 1 1 18 18 GLU N N 15 121.5 . . 1 . . . . . . . . 1672 1 121 . 1 1 19 19 LYS H H 1 7.26 . . 1 . . . . . . . . 1672 1 122 . 1 1 19 19 LYS HA H 1 4.48 . . 1 . . . . . . . . 1672 1 123 . 1 1 19 19 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 1672 1 124 . 1 1 19 19 LYS HB3 H 1 2.04 . . 2 . . . . . . . . 1672 1 125 . 1 1 19 19 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 1672 1 126 . 1 1 19 19 LYS HG3 H 1 1.71 . . 2 . . . . . . . . 1672 1 127 . 1 1 19 19 LYS N N 15 118.9 . . 1 . . . . . . . . 1672 1 128 . 1 1 20 20 ALA H H 1 7.37 . . 1 . . . . . . . . 1672 1 129 . 1 1 20 20 ALA HA H 1 4.2 . . 1 . . . . . . . . 1672 1 130 . 1 1 20 20 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 1672 1 131 . 1 1 20 20 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 1672 1 132 . 1 1 20 20 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 1672 1 133 . 1 1 20 20 ALA N N 15 127.5 . . 1 . . . . . . . . 1672 1 134 . 1 1 21 21 ASP H H 1 8.83 . . 1 . . . . . . . . 1672 1 135 . 1 1 21 21 ASP HA H 1 4.85 . . 1 . . . . . . . . 1672 1 136 . 1 1 21 21 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 1672 1 137 . 1 1 21 21 ASP HB3 H 1 2.87 . . 2 . . . . . . . . 1672 1 138 . 1 1 21 21 ASP N N 15 120.1 . . 1 . . . . . . . . 1672 1 139 . 1 1 22 22 ASN H H 1 7.73 . . 1 . . . . . . . . 1672 1 140 . 1 1 22 22 ASN HA H 1 5.01 . . 1 . . . . . . . . 1672 1 141 . 1 1 22 22 ASN HB2 H 1 2.95 . . 2 . . . . . . . . 1672 1 142 . 1 1 22 22 ASN HB3 H 1 3.04 . . 2 . . . . . . . . 1672 1 143 . 1 1 22 22 ASN N N 15 116.4 . . 1 . . . . . . . . 1672 1 144 . 1 1 23 23 ALA H H 1 9.13 . . 1 . . . . . . . . 1672 1 145 . 1 1 23 23 ALA HA H 1 3.83 . . 1 . . . . . . . . 1672 1 146 . 1 1 23 23 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 1672 1 147 . 1 1 23 23 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 1672 1 148 . 1 1 23 23 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 1672 1 149 . 1 1 23 23 ALA N N 15 126.1 . . 1 . . . . . . . . 1672 1 150 . 1 1 24 24 ALA H H 1 8.53 . . 1 . . . . . . . . 1672 1 151 . 1 1 24 24 ALA HA H 1 4.09 . . 1 . . . . . . . . 1672 1 152 . 1 1 24 24 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 1672 1 153 . 1 1 24 24 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 1672 1 154 . 1 1 24 24 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 1672 1 155 . 1 1 24 24 ALA N N 15 125.8 . . 1 . . . . . . . . 1672 1 156 . 1 1 25 25 GLN H H 1 8.16 . . 1 . . . . . . . . 1672 1 157 . 1 1 25 25 GLN HA H 1 4.19 . . 1 . . . . . . . . 1672 1 158 . 1 1 25 25 GLN HB2 H 1 2.4 . . 1 . . . . . . . . 1672 1 159 . 1 1 25 25 GLN HB3 H 1 2.4 . . 1 . . . . . . . . 1672 1 160 . 1 1 25 25 GLN HG2 H 1 1.95 . . 2 . . . . . . . . 1672 1 161 . 1 1 25 25 GLN HG3 H 1 2.67 . . 2 . . . . . . . . 1672 1 162 . 1 1 25 25 GLN NE2 N 15 114.9 . . 1 . . . . . . . . 1672 1 163 . 1 1 25 25 GLN HE21 H 1 7.16 . . 2 . . . . . . . . 1672 1 164 . 1 1 25 25 GLN HE22 H 1 7.47 . . 2 . . . . . . . . 1672 1 165 . 1 1 25 25 GLN N N 15 121.1 . . 1 . . . . . . . . 1672 1 166 . 1 1 26 26 VAL H H 1 7.26 . . 1 . . . . . . . . 1672 1 167 . 1 1 26 26 VAL HA H 1 3.55 . . 1 . . . . . . . . 1672 1 168 . 1 1 26 26 VAL HB H 1 2.22 . . 1 . . . . . . . . 1672 1 169 . 1 1 26 26 VAL HG11 H 1 .94 . . 2 . . . . . . . . 1672 1 170 . 1 1 26 26 VAL HG12 H 1 .94 . . 2 . . . . . . . . 1672 1 171 . 1 1 26 26 VAL HG13 H 1 .94 . . 2 . . . . . . . . 1672 1 172 . 1 1 26 26 VAL HG21 H 1 1.11 . . 2 . . . . . . . . 1672 1 173 . 1 1 26 26 VAL HG22 H 1 1.11 . . 2 . . . . . . . . 1672 1 174 . 1 1 26 26 VAL HG23 H 1 1.11 . . 2 . . . . . . . . 1672 1 175 . 1 1 26 26 VAL N N 15 121.9 . . 1 . . . . . . . . 1672 1 176 . 1 1 27 27 LYS H H 1 8.86 . . 1 . . . . . . . . 1672 1 177 . 1 1 27 27 LYS HA H 1 3.78 . . 1 . . . . . . . . 1672 1 178 . 1 1 27 27 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 1672 1 179 . 1 1 27 27 LYS HB3 H 1 2.03 . . 2 . . . . . . . . 1672 1 180 . 1 1 27 27 LYS HG2 H 1 1.34 . . 2 . . . . . . . . 1672 1 181 . 1 1 27 27 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 1672 1 182 . 1 1 27 27 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 1672 1 183 . 1 1 27 27 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 1672 1 184 . 1 1 27 27 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 1672 1 185 . 1 1 27 27 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 1672 1 186 . 1 1 27 27 LYS N N 15 123.3 . . 1 . . . . . . . . 1672 1 187 . 1 1 28 28 ASP H H 1 8.31 . . 1 . . . . . . . . 1672 1 188 . 1 1 28 28 ASP HA H 1 4.4 . . 1 . . . . . . . . 1672 1 189 . 1 1 28 28 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 1672 1 190 . 1 1 28 28 ASP HB3 H 1 2.85 . . 2 . . . . . . . . 1672 1 191 . 1 1 28 28 ASP N N 15 124.5 . . 1 . . . . . . . . 1672 1 192 . 1 1 29 29 ALA H H 1 7.64 . . 1 . . . . . . . . 1672 1 193 . 1 1 29 29 ALA HA H 1 4.25 . . 1 . . . . . . . . 1672 1 194 . 1 1 29 29 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 1672 1 195 . 1 1 29 29 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 1672 1 196 . 1 1 29 29 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 1672 1 197 . 1 1 29 29 ALA N N 15 125.3 . . 1 . . . . . . . . 1672 1 198 . 1 1 30 30 LEU H H 1 8.63 . . 1 . . . . . . . . 1672 1 199 . 1 1 30 30 LEU HA H 1 4.18 . . 1 . . . . . . . . 1672 1 200 . 1 1 30 30 LEU HB2 H 1 2.14 . . 1 . . . . . . . . 1672 1 201 . 1 1 30 30 LEU HB3 H 1 2.14 . . 1 . . . . . . . . 1672 1 202 . 1 1 30 30 LEU HG H 1 1.35 . . 1 . . . . . . . . 1672 1 203 . 1 1 30 30 LEU HD11 H 1 .74 . . 2 . . . . . . . . 1672 1 204 . 1 1 30 30 LEU HD12 H 1 .74 . . 2 . . . . . . . . 1672 1 205 . 1 1 30 30 LEU HD13 H 1 .74 . . 2 . . . . . . . . 1672 1 206 . 1 1 30 30 LEU HD21 H 1 .99 . . 2 . . . . . . . . 1672 1 207 . 1 1 30 30 LEU HD22 H 1 .99 . . 2 . . . . . . . . 1672 1 208 . 1 1 30 30 LEU HD23 H 1 .99 . . 2 . . . . . . . . 1672 1 209 . 1 1 30 30 LEU N N 15 121.8 . . 1 . . . . . . . . 1672 1 210 . 1 1 31 31 THR H H 1 8.42 . . 1 . . . . . . . . 1672 1 211 . 1 1 31 31 THR HA H 1 3.82 . . 1 . . . . . . . . 1672 1 212 . 1 1 31 31 THR HB H 1 4.53 . . 1 . . . . . . . . 1672 1 213 . 1 1 31 31 THR HG21 H 1 1.34 . . 1 . . . . . . . . 1672 1 214 . 1 1 31 31 THR HG22 H 1 1.34 . . 1 . . . . . . . . 1672 1 215 . 1 1 31 31 THR HG23 H 1 1.34 . . 1 . . . . . . . . 1672 1 216 . 1 1 31 31 THR N N 15 120.3 . . 1 . . . . . . . . 1672 1 217 . 1 1 32 32 LYS H H 1 7.76 . . 1 . . . . . . . . 1672 1 218 . 1 1 32 32 LYS HA H 1 4.15 . . 1 . . . . . . . . 1672 1 219 . 1 1 32 32 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 1672 1 220 . 1 1 32 32 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 1672 1 221 . 1 1 32 32 LYS N N 15 126.8 . . 1 . . . . . . . . 1672 1 222 . 1 1 33 33 MET H H 1 8.5 . . 1 . . . . . . . . 1672 1 223 . 1 1 33 33 MET HA H 1 3.78 . . 1 . . . . . . . . 1672 1 224 . 1 1 33 33 MET HB2 H 1 2.45 . . 1 . . . . . . . . 1672 1 225 . 1 1 33 33 MET HB3 H 1 2.45 . . 1 . . . . . . . . 1672 1 226 . 1 1 33 33 MET HG2 H 1 2.21 . . 1 . . . . . . . . 1672 1 227 . 1 1 33 33 MET HG3 H 1 2.21 . . 1 . . . . . . . . 1672 1 228 . 1 1 33 33 MET N N 15 122.9 . . 1 . . . . . . . . 1672 1 229 . 1 1 34 34 ARG H H 1 8.7 . . 1 . . . . . . . . 1672 1 230 . 1 1 34 34 ARG HA H 1 3.7 . . 1 . . . . . . . . 1672 1 231 . 1 1 34 34 ARG HB2 H 1 2.08 . . 1 . . . . . . . . 1672 1 232 . 1 1 34 34 ARG HB3 H 1 2.08 . . 1 . . . . . . . . 1672 1 233 . 1 1 34 34 ARG HG2 H 1 1.95 . . 1 . . . . . . . . 1672 1 234 . 1 1 34 34 ARG HG3 H 1 1.95 . . 1 . . . . . . . . 1672 1 235 . 1 1 34 34 ARG N N 15 124.6 . . 1 . . . . . . . . 1672 1 236 . 1 1 35 35 ALA H H 1 7.3 . . 1 . . . . . . . . 1672 1 237 . 1 1 35 35 ALA HA H 1 4.13 . . 1 . . . . . . . . 1672 1 238 . 1 1 35 35 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 1672 1 239 . 1 1 35 35 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 1672 1 240 . 1 1 35 35 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 1672 1 241 . 1 1 35 35 ALA N N 15 121.4 . . 1 . . . . . . . . 1672 1 242 . 1 1 36 36 ALA H H 1 7.74 . . 1 . . . . . . . . 1672 1 243 . 1 1 36 36 ALA HA H 1 4.2 . . 1 . . . . . . . . 1672 1 244 . 1 1 36 36 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 1672 1 245 . 1 1 36 36 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 1672 1 246 . 1 1 36 36 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 1672 1 247 . 1 1 36 36 ALA N N 15 124.6 . . 1 . . . . . . . . 1672 1 248 . 1 1 37 37 ALA H H 1 8.6 . . 1 . . . . . . . . 1672 1 249 . 1 1 37 37 ALA HA H 1 3.92 . . 1 . . . . . . . . 1672 1 250 . 1 1 37 37 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 1672 1 251 . 1 1 37 37 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 1672 1 252 . 1 1 37 37 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 1672 1 253 . 1 1 37 37 ALA N N 15 124.4 . . 1 . . . . . . . . 1672 1 254 . 1 1 38 38 LEU H H 1 7.86 . . 1 . . . . . . . . 1672 1 255 . 1 1 38 38 LEU HA H 1 3.98 . . 1 . . . . . . . . 1672 1 256 . 1 1 38 38 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 1672 1 257 . 1 1 38 38 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 1672 1 258 . 1 1 38 38 LEU HD11 H 1 .94 . . 1 . . . . . . . . 1672 1 259 . 1 1 38 38 LEU HD12 H 1 .94 . . 1 . . . . . . . . 1672 1 260 . 1 1 38 38 LEU HD13 H 1 .94 . . 1 . . . . . . . . 1672 1 261 . 1 1 38 38 LEU HD21 H 1 .94 . . 1 . . . . . . . . 1672 1 262 . 1 1 38 38 LEU HD22 H 1 .94 . . 1 . . . . . . . . 1672 1 263 . 1 1 38 38 LEU HD23 H 1 .94 . . 1 . . . . . . . . 1672 1 264 . 1 1 38 38 LEU N N 15 119.9 . . 1 . . . . . . . . 1672 1 265 . 1 1 39 39 ASP H H 1 7.82 . . 1 . . . . . . . . 1672 1 266 . 1 1 39 39 ASP HA H 1 4.42 . . 1 . . . . . . . . 1672 1 267 . 1 1 39 39 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 1672 1 268 . 1 1 39 39 ASP HB3 H 1 2.73 . . 2 . . . . . . . . 1672 1 269 . 1 1 39 39 ASP N N 15 123.7 . . 1 . . . . . . . . 1672 1 270 . 1 1 40 40 ALA H H 1 8.38 . . 1 . . . . . . . . 1672 1 271 . 1 1 40 40 ALA HA H 1 3.82 . . 1 . . . . . . . . 1672 1 272 . 1 1 40 40 ALA HB1 H 1 .94 . . 1 . . . . . . . . 1672 1 273 . 1 1 40 40 ALA HB2 H 1 .94 . . 1 . . . . . . . . 1672 1 274 . 1 1 40 40 ALA HB3 H 1 .94 . . 1 . . . . . . . . 1672 1 275 . 1 1 40 40 ALA N N 15 127.6 . . 1 . . . . . . . . 1672 1 276 . 1 1 41 41 GLN H H 1 7.09 . . 1 . . . . . . . . 1672 1 277 . 1 1 41 41 GLN HA H 1 3.36 . . 1 . . . . . . . . 1672 1 278 . 1 1 41 41 GLN HB2 H 1 2.2 . . 2 . . . . . . . . 1672 1 279 . 1 1 41 41 GLN HB3 H 1 1.79 . . 2 . . . . . . . . 1672 1 280 . 1 1 41 41 GLN HG2 H 1 2.48 . . 1 . . . . . . . . 1672 1 281 . 1 1 41 41 GLN HG3 H 1 2.48 . . 1 . . . . . . . . 1672 1 282 . 1 1 41 41 GLN N N 15 116.9 . . 1 . . . . . . . . 1672 1 283 . 1 1 42 42 LYS H H 1 7.12 . . 1 . . . . . . . . 1672 1 284 . 1 1 42 42 LYS HA H 1 4.33 . . 1 . . . . . . . . 1672 1 285 . 1 1 42 42 LYS HB2 H 1 1.91 . . 2 . . . . . . . . 1672 1 286 . 1 1 42 42 LYS HB3 H 1 2.08 . . 2 . . . . . . . . 1672 1 287 . 1 1 42 42 LYS HG2 H 1 1.54 . . 2 . . . . . . . . 1672 1 288 . 1 1 42 42 LYS HG3 H 1 1.73 . . 2 . . . . . . . . 1672 1 289 . 1 1 42 42 LYS N N 15 118.1 . . 1 . . . . . . . . 1672 1 290 . 1 1 43 43 ALA H H 1 7.83 . . 1 . . . . . . . . 1672 1 291 . 1 1 43 43 ALA HA H 1 4.45 . . 1 . . . . . . . . 1672 1 292 . 1 1 43 43 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 1672 1 293 . 1 1 43 43 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 1672 1 294 . 1 1 43 43 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 1672 1 295 . 1 1 43 43 ALA N N 15 127.7 . . 1 . . . . . . . . 1672 1 296 . 1 1 44 44 THR H H 1 8.21 . . 1 . . . . . . . . 1672 1 297 . 1 1 44 44 THR HA H 1 4.37 . . 1 . . . . . . . . 1672 1 298 . 1 1 44 44 THR HB H 1 3.95 . . 1 . . . . . . . . 1672 1 299 . 1 1 44 44 THR HG21 H 1 1.14 . . 1 . . . . . . . . 1672 1 300 . 1 1 44 44 THR HG22 H 1 1.14 . . 1 . . . . . . . . 1672 1 301 . 1 1 44 44 THR HG23 H 1 1.14 . . 1 . . . . . . . . 1672 1 302 . 1 1 44 44 THR N N 15 118.1 . . 1 . . . . . . . . 1672 1 303 . 1 1 46 46 PRO HA H 1 4.35 . . 1 . . . . . . . . 1672 1 304 . 1 1 46 46 PRO HB2 H 1 2.03 . . 2 . . . . . . . . 1672 1 305 . 1 1 46 46 PRO HB3 H 1 2.44 . . 2 . . . . . . . . 1672 1 306 . 1 1 46 46 PRO HG2 H 1 2.16 . . 1 . . . . . . . . 1672 1 307 . 1 1 46 46 PRO HG3 H 1 2.16 . . 1 . . . . . . . . 1672 1 308 . 1 1 46 46 PRO HD2 H 1 3.81 . . 1 . . . . . . . . 1672 1 309 . 1 1 46 46 PRO HD3 H 1 3.81 . . 1 . . . . . . . . 1672 1 310 . 1 1 47 47 LYS H H 1 8.59 . . 1 . . . . . . . . 1672 1 311 . 1 1 47 47 LYS HA H 1 4.23 . . 1 . . . . . . . . 1672 1 312 . 1 1 47 47 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 1672 1 313 . 1 1 47 47 LYS HB3 H 1 2 . . 2 . . . . . . . . 1672 1 314 . 1 1 47 47 LYS N N 15 118.6 . . 1 . . . . . . . . 1672 1 315 . 1 1 48 48 LEU H H 1 7.89 . . 1 . . . . . . . . 1672 1 316 . 1 1 48 48 LEU HA H 1 4.55 . . 1 . . . . . . . . 1672 1 317 . 1 1 48 48 LEU HB2 H 1 1.69 . . 1 . . . . . . . . 1672 1 318 . 1 1 48 48 LEU HB3 H 1 1.69 . . 1 . . . . . . . . 1672 1 319 . 1 1 48 48 LEU HG H 1 1.46 . . 1 . . . . . . . . 1672 1 320 . 1 1 48 48 LEU HD11 H 1 .72 . . 2 . . . . . . . . 1672 1 321 . 1 1 48 48 LEU HD12 H 1 .72 . . 2 . . . . . . . . 1672 1 322 . 1 1 48 48 LEU HD13 H 1 .72 . . 2 . . . . . . . . 1672 1 323 . 1 1 48 48 LEU HD21 H 1 .83 . . 2 . . . . . . . . 1672 1 324 . 1 1 48 48 LEU HD22 H 1 .83 . . 2 . . . . . . . . 1672 1 325 . 1 1 48 48 LEU HD23 H 1 .83 . . 2 . . . . . . . . 1672 1 326 . 1 1 48 48 LEU N N 15 121.8 . . 1 . . . . . . . . 1672 1 327 . 1 1 49 49 GLU HA H 1 3.98 . . 1 . . . . . . . . 1672 1 328 . 1 1 50 50 ASP H H 1 8.5 . . 1 . . . . . . . . 1672 1 329 . 1 1 50 50 ASP HA H 1 4.7 . . 1 . . . . . . . . 1672 1 330 . 1 1 50 50 ASP HB2 H 1 2.83 . . 1 . . . . . . . . 1672 1 331 . 1 1 50 50 ASP HB3 H 1 2.83 . . 1 . . . . . . . . 1672 1 332 . 1 1 50 50 ASP N N 15 120.2 . . 1 . . . . . . . . 1672 1 333 . 1 1 51 51 LYS H H 1 7.77 . . 1 . . . . . . . . 1672 1 334 . 1 1 51 51 LYS HA H 1 4.55 . . 1 . . . . . . . . 1672 1 335 . 1 1 51 51 LYS HB2 H 1 2.02 . . 1 . . . . . . . . 1672 1 336 . 1 1 51 51 LYS HB3 H 1 2.02 . . 1 . . . . . . . . 1672 1 337 . 1 1 51 51 LYS N N 15 123.6 . . 1 . . . . . . . . 1672 1 338 . 1 1 52 52 SER H H 1 8.85 . . 1 . . . . . . . . 1672 1 339 . 1 1 52 52 SER HA H 1 4.79 . . 1 . . . . . . . . 1672 1 340 . 1 1 52 52 SER HB2 H 1 4.23 . . 2 . . . . . . . . 1672 1 341 . 1 1 52 52 SER HB3 H 1 4.01 . . 2 . . . . . . . . 1672 1 342 . 1 1 52 52 SER N N 15 121.1 . . 1 . . . . . . . . 1672 1 343 . 1 1 54 54 ASP H H 1 8.05 . . 1 . . . . . . . . 1672 1 344 . 1 1 54 54 ASP HA H 1 4.83 . . 1 . . . . . . . . 1672 1 345 . 1 1 54 54 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 1672 1 346 . 1 1 54 54 ASP HB3 H 1 2.84 . . 2 . . . . . . . . 1672 1 347 . 1 1 54 54 ASP N N 15 117.8 . . 1 . . . . . . . . 1672 1 348 . 1 1 55 55 SER H H 1 7.9 . . 1 . . . . . . . . 1672 1 349 . 1 1 55 55 SER HA H 1 4.64 . . 1 . . . . . . . . 1672 1 350 . 1 1 55 55 SER N N 15 120.5 . . 1 . . . . . . . . 1672 1 351 . 1 1 56 56 PRO HA H 1 4 . . 1 . . . . . . . . 1672 1 352 . 1 1 57 57 GLU H H 1 9.62 . . 1 . . . . . . . . 1672 1 353 . 1 1 57 57 GLU HA H 1 4.22 . . 1 . . . . . . . . 1672 1 354 . 1 1 57 57 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 1672 1 355 . 1 1 57 57 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 1672 1 356 . 1 1 57 57 GLU HG2 H 1 2.47 . . 1 . . . . . . . . 1672 1 357 . 1 1 57 57 GLU HG3 H 1 2.47 . . 1 . . . . . . . . 1672 1 358 . 1 1 57 57 GLU N N 15 120.5 . . 1 . . . . . . . . 1672 1 359 . 1 1 58 58 MET H H 1 7.84 . . 1 . . . . . . . . 1672 1 360 . 1 1 58 58 MET HA H 1 4.8 . . 1 . . . . . . . . 1672 1 361 . 1 1 58 58 MET N N 15 123.3 . . 1 . . . . . . . . 1672 1 362 . 1 1 59 59 LYS H H 1 8.68 . . 1 . . . . . . . . 1672 1 363 . 1 1 59 59 LYS HA H 1 4.11 . . 1 . . . . . . . . 1672 1 364 . 1 1 59 59 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 1672 1 365 . 1 1 59 59 LYS HB3 H 1 1.97 . . 2 . . . . . . . . 1672 1 366 . 1 1 59 59 LYS N N 15 124.7 . . 1 . . . . . . . . 1672 1 367 . 1 1 60 60 ASP H H 1 8.52 . . 1 . . . . . . . . 1672 1 368 . 1 1 60 60 ASP HA H 1 4.64 . . 1 . . . . . . . . 1672 1 369 . 1 1 60 60 ASP HB2 H 1 2.94 . . 1 . . . . . . . . 1672 1 370 . 1 1 60 60 ASP HB3 H 1 2.94 . . 1 . . . . . . . . 1672 1 371 . 1 1 60 60 ASP N N 15 124.2 . . 1 . . . . . . . . 1672 1 372 . 1 1 61 61 PHE H H 1 8.23 . . 1 . . . . . . . . 1672 1 373 . 1 1 61 61 PHE HA H 1 4.4 . . 1 . . . . . . . . 1672 1 374 . 1 1 61 61 PHE HB2 H 1 3.29 . . 2 . . . . . . . . 1672 1 375 . 1 1 61 61 PHE HB3 H 1 3.49 . . 2 . . . . . . . . 1672 1 376 . 1 1 61 61 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 1672 1 377 . 1 1 61 61 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 1672 1 378 . 1 1 61 61 PHE HE1 H 1 7.49 . . 1 . . . . . . . . 1672 1 379 . 1 1 61 61 PHE HE2 H 1 7.49 . . 1 . . . . . . . . 1672 1 380 . 1 1 61 61 PHE HZ H 1 7.29 . . 1 . . . . . . . . 1672 1 381 . 1 1 61 61 PHE N N 15 125.4 . . 1 . . . . . . . . 1672 1 382 . 1 1 62 62 ARG H H 1 8.73 . . 1 . . . . . . . . 1672 1 383 . 1 1 62 62 ARG HA H 1 4.05 . . 1 . . . . . . . . 1672 1 384 . 1 1 62 62 ARG HB2 H 1 2.19 . . 2 . . . . . . . . 1672 1 385 . 1 1 62 62 ARG HB3 H 1 2.39 . . 2 . . . . . . . . 1672 1 386 . 1 1 62 62 ARG HG2 H 1 2.05 . . 1 . . . . . . . . 1672 1 387 . 1 1 62 62 ARG HG3 H 1 2.05 . . 1 . . . . . . . . 1672 1 388 . 1 1 62 62 ARG N N 15 121.3 . . 1 . . . . . . . . 1672 1 389 . 1 1 63 63 HIS H H 1 8.85 . . 1 . . . . . . . . 1672 1 390 . 1 1 63 63 HIS HA H 1 4.71 . . 1 . . . . . . . . 1672 1 391 . 1 1 63 63 HIS HB2 H 1 3.57 . . 2 . . . . . . . . 1672 1 392 . 1 1 63 63 HIS HB3 H 1 3.62 . . 2 . . . . . . . . 1672 1 393 . 1 1 63 63 HIS HD2 H 1 7.49 . . 1 . . . . . . . . 1672 1 394 . 1 1 63 63 HIS HE1 H 1 8.77 . . 1 . . . . . . . . 1672 1 395 . 1 1 63 63 HIS N N 15 122.9 . . 1 . . . . . . . . 1672 1 396 . 1 1 64 64 GLY H H 1 8.1 . . 1 . . . . . . . . 1672 1 397 . 1 1 64 64 GLY HA2 H 1 3.3 . . 2 . . . . . . . . 1672 1 398 . 1 1 64 64 GLY HA3 H 1 3.64 . . 2 . . . . . . . . 1672 1 399 . 1 1 64 64 GLY N N 15 109.5 . . 1 . . . . . . . . 1672 1 400 . 1 1 65 65 PHE H H 1 7.1 . . 1 . . . . . . . . 1672 1 401 . 1 1 65 65 PHE HA H 1 4.2 . . 1 . . . . . . . . 1672 1 402 . 1 1 65 65 PHE HB2 H 1 2.8 . . 2 . . . . . . . . 1672 1 403 . 1 1 65 65 PHE HB3 H 1 3.02 . . 2 . . . . . . . . 1672 1 404 . 1 1 65 65 PHE HD1 H 1 6.94 . . 1 . . . . . . . . 1672 1 405 . 1 1 65 65 PHE HD2 H 1 6.94 . . 1 . . . . . . . . 1672 1 406 . 1 1 65 65 PHE HE1 H 1 6.69 . . 1 . . . . . . . . 1672 1 407 . 1 1 65 65 PHE HE2 H 1 6.69 . . 1 . . . . . . . . 1672 1 408 . 1 1 65 65 PHE HZ H 1 7.04 . . 1 . . . . . . . . 1672 1 409 . 1 1 65 65 PHE N N 15 121.2 . . 1 . . . . . . . . 1672 1 410 . 1 1 66 66 ASP H H 1 7.7 . . 1 . . . . . . . . 1672 1 411 . 1 1 66 66 ASP HA H 1 4.5 . . 1 . . . . . . . . 1672 1 412 . 1 1 66 66 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 1672 1 413 . 1 1 66 66 ASP HB3 H 1 2.89 . . 2 . . . . . . . . 1672 1 414 . 1 1 66 66 ASP N N 15 125.5 . . 1 . . . . . . . . 1672 1 415 . 1 1 67 67 ILE H H 1 7.66 . . 1 . . . . . . . . 1672 1 416 . 1 1 67 67 ILE HA H 1 3.69 . . 1 . . . . . . . . 1672 1 417 . 1 1 67 67 ILE HB H 1 1.85 . . 1 . . . . . . . . 1672 1 418 . 1 1 67 67 ILE HG12 H 1 .95 . . 2 . . . . . . . . 1672 1 419 . 1 1 67 67 ILE HG13 H 1 1.2 . . 2 . . . . . . . . 1672 1 420 . 1 1 67 67 ILE HG21 H 1 .84 . . 1 . . . . . . . . 1672 1 421 . 1 1 67 67 ILE HG22 H 1 .84 . . 1 . . . . . . . . 1672 1 422 . 1 1 67 67 ILE HG23 H 1 .84 . . 1 . . . . . . . . 1672 1 423 . 1 1 67 67 ILE HD11 H 1 .7 . . 1 . . . . . . . . 1672 1 424 . 1 1 67 67 ILE HD12 H 1 .7 . . 1 . . . . . . . . 1672 1 425 . 1 1 67 67 ILE HD13 H 1 .7 . . 1 . . . . . . . . 1672 1 426 . 1 1 67 67 ILE N N 15 124 . . 1 . . . . . . . . 1672 1 427 . 1 1 68 68 LEU H H 1 7.46 . . 1 . . . . . . . . 1672 1 428 . 1 1 68 68 LEU HA H 1 4.26 . . 1 . . . . . . . . 1672 1 429 . 1 1 68 68 LEU HB2 H 1 1.72 . . 2 . . . . . . . . 1672 1 430 . 1 1 68 68 LEU HB3 H 1 1.82 . . 2 . . . . . . . . 1672 1 431 . 1 1 68 68 LEU HD11 H 1 .93 . . 1 . . . . . . . . 1672 1 432 . 1 1 68 68 LEU HD12 H 1 .93 . . 1 . . . . . . . . 1672 1 433 . 1 1 68 68 LEU HD13 H 1 .93 . . 1 . . . . . . . . 1672 1 434 . 1 1 68 68 LEU HD21 H 1 .93 . . 1 . . . . . . . . 1672 1 435 . 1 1 68 68 LEU HD22 H 1 .93 . . 1 . . . . . . . . 1672 1 436 . 1 1 68 68 LEU HD23 H 1 .93 . . 1 . . . . . . . . 1672 1 437 . 1 1 68 68 LEU N N 15 124.8 . . 1 . . . . . . . . 1672 1 438 . 1 1 69 69 VAL H H 1 8.78 . . 1 . . . . . . . . 1672 1 439 . 1 1 69 69 VAL HA H 1 3.48 . . 1 . . . . . . . . 1672 1 440 . 1 1 69 69 VAL HB H 1 2.25 . . 1 . . . . . . . . 1672 1 441 . 1 1 69 69 VAL HG11 H 1 .99 . . 2 . . . . . . . . 1672 1 442 . 1 1 69 69 VAL HG12 H 1 .99 . . 2 . . . . . . . . 1672 1 443 . 1 1 69 69 VAL HG13 H 1 .99 . . 2 . . . . . . . . 1672 1 444 . 1 1 69 69 VAL HG21 H 1 1.12 . . 2 . . . . . . . . 1672 1 445 . 1 1 69 69 VAL HG22 H 1 1.12 . . 2 . . . . . . . . 1672 1 446 . 1 1 69 69 VAL HG23 H 1 1.12 . . 2 . . . . . . . . 1672 1 447 . 1 1 69 69 VAL N N 15 122.6 . . 1 . . . . . . . . 1672 1 448 . 1 1 70 70 GLY H H 1 7.94 . . 1 . . . . . . . . 1672 1 449 . 1 1 70 70 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 1672 1 450 . 1 1 70 70 GLY HA3 H 1 3.96 . . 2 . . . . . . . . 1672 1 451 . 1 1 70 70 GLY N N 15 109.7 . . 1 . . . . . . . . 1672 1 452 . 1 1 71 71 GLN H H 1 7.99 . . 1 . . . . . . . . 1672 1 453 . 1 1 71 71 GLN HA H 1 4.23 . . 1 . . . . . . . . 1672 1 454 . 1 1 71 71 GLN HB2 H 1 2.52 . . 2 . . . . . . . . 1672 1 455 . 1 1 71 71 GLN HB3 H 1 1.99 . . 2 . . . . . . . . 1672 1 456 . 1 1 71 71 GLN HG2 H 1 2.38 . . 1 . . . . . . . . 1672 1 457 . 1 1 71 71 GLN HG3 H 1 2.38 . . 1 . . . . . . . . 1672 1 458 . 1 1 71 71 GLN NE2 N 15 111.5 . . 1 . . . . . . . . 1672 1 459 . 1 1 71 71 GLN HE21 H 1 6.26 . . 2 . . . . . . . . 1672 1 460 . 1 1 71 71 GLN HE22 H 1 7.37 . . 2 . . . . . . . . 1672 1 461 . 1 1 71 71 GLN N N 15 124.8 . . 1 . . . . . . . . 1672 1 462 . 1 1 72 72 ILE H H 1 8.77 . . 1 . . . . . . . . 1672 1 463 . 1 1 72 72 ILE HA H 1 3.56 . . 1 . . . . . . . . 1672 1 464 . 1 1 72 72 ILE HB H 1 2.13 . . 1 . . . . . . . . 1672 1 465 . 1 1 72 72 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 1672 1 466 . 1 1 72 72 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 1672 1 467 . 1 1 72 72 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 1672 1 468 . 1 1 72 72 ILE HD11 H 1 .75 . . 1 . . . . . . . . 1672 1 469 . 1 1 72 72 ILE HD12 H 1 .75 . . 1 . . . . . . . . 1672 1 470 . 1 1 72 72 ILE HD13 H 1 .75 . . 1 . . . . . . . . 1672 1 471 . 1 1 72 72 ILE N N 15 127.2 . . 1 . . . . . . . . 1672 1 472 . 1 1 73 73 ASP H H 1 9.09 . . 1 . . . . . . . . 1672 1 473 . 1 1 73 73 ASP HA H 1 4.65 . . 1 . . . . . . . . 1672 1 474 . 1 1 73 73 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 1672 1 475 . 1 1 73 73 ASP HB3 H 1 2.96 . . 2 . . . . . . . . 1672 1 476 . 1 1 73 73 ASP N N 15 125.6 . . 1 . . . . . . . . 1672 1 477 . 1 1 74 74 ASP H H 1 8.21 . . 1 . . . . . . . . 1672 1 478 . 1 1 74 74 ASP HA H 1 4.53 . . 1 . . . . . . . . 1672 1 479 . 1 1 74 74 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 1672 1 480 . 1 1 74 74 ASP HB3 H 1 2.9 . . 2 . . . . . . . . 1672 1 481 . 1 1 74 74 ASP N N 15 126.2 . . 1 . . . . . . . . 1672 1 482 . 1 1 75 75 ALA H H 1 7.96 . . 1 . . . . . . . . 1672 1 483 . 1 1 75 75 ALA HA H 1 4.13 . . 1 . . . . . . . . 1672 1 484 . 1 1 75 75 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 1672 1 485 . 1 1 75 75 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 1672 1 486 . 1 1 75 75 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 1672 1 487 . 1 1 75 75 ALA N N 15 127.1 . . 1 . . . . . . . . 1672 1 488 . 1 1 76 76 LEU H H 1 9.27 . . 1 . . . . . . . . 1672 1 489 . 1 1 76 76 LEU HA H 1 3.88 . . 1 . . . . . . . . 1672 1 490 . 1 1 76 76 LEU HB2 H 1 1.7 . . 2 . . . . . . . . 1672 1 491 . 1 1 76 76 LEU HB3 H 1 2.04 . . 2 . . . . . . . . 1672 1 492 . 1 1 76 76 LEU HG H 1 1.34 . . 1 . . . . . . . . 1672 1 493 . 1 1 76 76 LEU HD11 H 1 .74 . . 2 . . . . . . . . 1672 1 494 . 1 1 76 76 LEU HD12 H 1 .74 . . 2 . . . . . . . . 1672 1 495 . 1 1 76 76 LEU HD13 H 1 .74 . . 2 . . . . . . . . 1672 1 496 . 1 1 76 76 LEU HD21 H 1 .99 . . 2 . . . . . . . . 1672 1 497 . 1 1 76 76 LEU HD22 H 1 .99 . . 2 . . . . . . . . 1672 1 498 . 1 1 76 76 LEU HD23 H 1 .99 . . 2 . . . . . . . . 1672 1 499 . 1 1 76 76 LEU N N 15 125.2 . . 1 . . . . . . . . 1672 1 500 . 1 1 77 77 LYS H H 1 7.94 . . 1 . . . . . . . . 1672 1 501 . 1 1 77 77 LYS HA H 1 4.09 . . 1 . . . . . . . . 1672 1 502 . 1 1 77 77 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 1672 1 503 . 1 1 77 77 LYS HB3 H 1 1.64 . . 2 . . . . . . . . 1672 1 504 . 1 1 77 77 LYS HG2 H 1 1.77 . . 1 . . . . . . . . 1672 1 505 . 1 1 77 77 LYS HG3 H 1 1.77 . . 1 . . . . . . . . 1672 1 506 . 1 1 77 77 LYS N N 15 124.2 . . 1 . . . . . . . . 1672 1 507 . 1 1 78 78 LEU H H 1 7.12 . . 1 . . . . . . . . 1672 1 508 . 1 1 78 78 LEU HA H 1 4.15 . . 1 . . . . . . . . 1672 1 509 . 1 1 78 78 LEU HB2 H 1 2.05 . . 1 . . . . . . . . 1672 1 510 . 1 1 78 78 LEU HB3 H 1 2.05 . . 1 . . . . . . . . 1672 1 511 . 1 1 78 78 LEU HD11 H 1 .83 . . 1 . . . . . . . . 1672 1 512 . 1 1 78 78 LEU HD12 H 1 .83 . . 1 . . . . . . . . 1672 1 513 . 1 1 78 78 LEU HD13 H 1 .83 . . 1 . . . . . . . . 1672 1 514 . 1 1 78 78 LEU HD21 H 1 .83 . . 1 . . . . . . . . 1672 1 515 . 1 1 78 78 LEU HD22 H 1 .83 . . 1 . . . . . . . . 1672 1 516 . 1 1 78 78 LEU HD23 H 1 .83 . . 1 . . . . . . . . 1672 1 517 . 1 1 78 78 LEU N N 15 121.3 . . 1 . . . . . . . . 1672 1 518 . 1 1 79 79 ALA H H 1 8.58 . . 1 . . . . . . . . 1672 1 519 . 1 1 79 79 ALA HA H 1 3.73 . . 1 . . . . . . . . 1672 1 520 . 1 1 79 79 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 1672 1 521 . 1 1 79 79 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 1672 1 522 . 1 1 79 79 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 1672 1 523 . 1 1 79 79 ALA N N 15 125.9 . . 1 . . . . . . . . 1672 1 524 . 1 1 80 80 ASN H H 1 9.01 . . 1 . . . . . . . . 1672 1 525 . 1 1 80 80 ASN HA H 1 4.52 . . 1 . . . . . . . . 1672 1 526 . 1 1 80 80 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 1672 1 527 . 1 1 80 80 ASN HB3 H 1 3.04 . . 2 . . . . . . . . 1672 1 528 . 1 1 80 80 ASN ND2 N 15 114.7 . . 1 . . . . . . . . 1672 1 529 . 1 1 80 80 ASN HD21 H 1 6.95 . . 2 . . . . . . . . 1672 1 530 . 1 1 80 80 ASN HD22 H 1 7.46 . . 2 . . . . . . . . 1672 1 531 . 1 1 80 80 ASN N N 15 122.1 . . 1 . . . . . . . . 1672 1 532 . 1 1 81 81 GLU H H 1 7.57 . . 1 . . . . . . . . 1672 1 533 . 1 1 81 81 GLU HA H 1 4.48 . . 1 . . . . . . . . 1672 1 534 . 1 1 81 81 GLU HB2 H 1 2.26 . . 2 . . . . . . . . 1672 1 535 . 1 1 81 81 GLU HB3 H 1 2.68 . . 2 . . . . . . . . 1672 1 536 . 1 1 81 81 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 1672 1 537 . 1 1 81 81 GLU HG3 H 1 2.48 . . 1 . . . . . . . . 1672 1 538 . 1 1 81 81 GLU N N 15 121.3 . . 1 . . . . . . . . 1672 1 539 . 1 1 82 82 GLY H H 1 7.98 . . 1 . . . . . . . . 1672 1 540 . 1 1 82 82 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 1672 1 541 . 1 1 82 82 GLY HA3 H 1 4.34 . . 2 . . . . . . . . 1672 1 542 . 1 1 82 82 GLY N N 15 110.8 . . 1 . . . . . . . . 1672 1 543 . 1 1 83 83 LYS H H 1 7.99 . . 1 . . . . . . . . 1672 1 544 . 1 1 83 83 LYS HA H 1 4.55 . . 1 . . . . . . . . 1672 1 545 . 1 1 83 83 LYS HB2 H 1 1.83 . . 1 . . . . . . . . 1672 1 546 . 1 1 83 83 LYS HB3 H 1 1.83 . . 1 . . . . . . . . 1672 1 547 . 1 1 83 83 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 1672 1 548 . 1 1 83 83 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 1672 1 549 . 1 1 83 83 LYS N N 15 127.6 . . 1 . . . . . . . . 1672 1 550 . 1 1 84 84 VAL H H 1 7.73 . . 1 . . . . . . . . 1672 1 551 . 1 1 84 84 VAL HA H 1 3.28 . . 1 . . . . . . . . 1672 1 552 . 1 1 84 84 VAL HB H 1 2.1 . . 1 . . . . . . . . 1672 1 553 . 1 1 84 84 VAL HG11 H 1 .8 . . 2 . . . . . . . . 1672 1 554 . 1 1 84 84 VAL HG12 H 1 .8 . . 2 . . . . . . . . 1672 1 555 . 1 1 84 84 VAL HG13 H 1 .8 . . 2 . . . . . . . . 1672 1 556 . 1 1 84 84 VAL HG21 H 1 .92 . . 2 . . . . . . . . 1672 1 557 . 1 1 84 84 VAL HG22 H 1 .92 . . 2 . . . . . . . . 1672 1 558 . 1 1 84 84 VAL HG23 H 1 .92 . . 2 . . . . . . . . 1672 1 559 . 1 1 84 84 VAL N N 15 125.8 . . 1 . . . . . . . . 1672 1 560 . 1 1 85 85 LYS H H 1 8.64 . . 1 . . . . . . . . 1672 1 561 . 1 1 85 85 LYS HA H 1 4.51 . . 1 . . . . . . . . 1672 1 562 . 1 1 85 85 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 1672 1 563 . 1 1 85 85 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 1672 1 564 . 1 1 85 85 LYS N N 15 123.6 . . 1 . . . . . . . . 1672 1 565 . 1 1 86 86 GLU H H 1 9.45 . . 1 . . . . . . . . 1672 1 566 . 1 1 86 86 GLU HA H 1 4.1 . . 1 . . . . . . . . 1672 1 567 . 1 1 86 86 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 1672 1 568 . 1 1 86 86 GLU HB3 H 1 2.13 . . 2 . . . . . . . . 1672 1 569 . 1 1 86 86 GLU HG2 H 1 2.38 . . 2 . . . . . . . . 1672 1 570 . 1 1 86 86 GLU HG3 H 1 2.58 . . 2 . . . . . . . . 1672 1 571 . 1 1 86 86 GLU N N 15 125.1 . . 1 . . . . . . . . 1672 1 572 . 1 1 87 87 ALA H H 1 8.59 . . 1 . . . . . . . . 1672 1 573 . 1 1 87 87 ALA HA H 1 4.12 . . 1 . . . . . . . . 1672 1 574 . 1 1 87 87 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 1672 1 575 . 1 1 87 87 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 1672 1 576 . 1 1 87 87 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 1672 1 577 . 1 1 87 87 ALA N N 15 128.2 . . 1 . . . . . . . . 1672 1 578 . 1 1 88 88 GLN H H 1 8.77 . . 1 . . . . . . . . 1672 1 579 . 1 1 88 88 GLN HA H 1 3.78 . . 1 . . . . . . . . 1672 1 580 . 1 1 88 88 GLN HB2 H 1 2.54 . . 1 . . . . . . . . 1672 1 581 . 1 1 88 88 GLN HB3 H 1 2.54 . . 1 . . . . . . . . 1672 1 582 . 1 1 88 88 GLN N N 15 120.5 . . 1 . . . . . . . . 1672 1 583 . 1 1 89 89 ALA H H 1 8.21 . . 1 . . . . . . . . 1672 1 584 . 1 1 89 89 ALA HA H 1 4.23 . . 1 . . . . . . . . 1672 1 585 . 1 1 89 89 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 1672 1 586 . 1 1 89 89 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 1672 1 587 . 1 1 89 89 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 1672 1 588 . 1 1 89 89 ALA N N 15 126.2 . . 1 . . . . . . . . 1672 1 589 . 1 1 90 90 ALA H H 1 8.16 . . 1 . . . . . . . . 1672 1 590 . 1 1 90 90 ALA HA H 1 4.2 . . 1 . . . . . . . . 1672 1 591 . 1 1 90 90 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 1672 1 592 . 1 1 90 90 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 1672 1 593 . 1 1 90 90 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 1672 1 594 . 1 1 90 90 ALA N N 15 125.3 . . 1 . . . . . . . . 1672 1 595 . 1 1 91 91 ALA H H 1 8.42 . . 1 . . . . . . . . 1672 1 596 . 1 1 91 91 ALA HA H 1 4 . . 1 . . . . . . . . 1672 1 597 . 1 1 91 91 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 1672 1 598 . 1 1 91 91 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 1672 1 599 . 1 1 91 91 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 1672 1 600 . 1 1 91 91 ALA N N 15 124.6 . . 1 . . . . . . . . 1672 1 601 . 1 1 92 92 GLU H H 1 7.8 . . 1 . . . . . . . . 1672 1 602 . 1 1 92 92 GLU HA H 1 4.14 . . 1 . . . . . . . . 1672 1 603 . 1 1 92 92 GLU N N 15 119.6 . . 1 . . . . . . . . 1672 1 604 . 1 1 93 93 GLN H H 1 7.53 . . 1 . . . . . . . . 1672 1 605 . 1 1 93 93 GLN HA H 1 4.25 . . 1 . . . . . . . . 1672 1 606 . 1 1 93 93 GLN HB2 H 1 2.29 . . 2 . . . . . . . . 1672 1 607 . 1 1 93 93 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 1672 1 608 . 1 1 93 93 GLN HG2 H 1 2.51 . . 2 . . . . . . . . 1672 1 609 . 1 1 93 93 GLN HG3 H 1 2.57 . . 2 . . . . . . . . 1672 1 610 . 1 1 93 93 GLN NE2 N 15 116 . . 1 . . . . . . . . 1672 1 611 . 1 1 93 93 GLN HE21 H 1 6.99 . . 2 . . . . . . . . 1672 1 612 . 1 1 93 93 GLN HE22 H 1 7.61 . . 2 . . . . . . . . 1672 1 613 . 1 1 93 93 GLN N N 15 120.3 . . 1 . . . . . . . . 1672 1 614 . 1 1 94 94 LEU H H 1 7.84 . . 1 . . . . . . . . 1672 1 615 . 1 1 94 94 LEU HA H 1 4.19 . . 1 . . . . . . . . 1672 1 616 . 1 1 94 94 LEU HB2 H 1 2.01 . . 1 . . . . . . . . 1672 1 617 . 1 1 94 94 LEU HB3 H 1 2.01 . . 1 . . . . . . . . 1672 1 618 . 1 1 94 94 LEU N N 15 122.9 . . 1 . . . . . . . . 1672 1 619 . 1 1 95 95 LYS H H 1 7.78 . . 1 . . . . . . . . 1672 1 620 . 1 1 95 95 LYS HA H 1 4 . . 1 . . . . . . . . 1672 1 621 . 1 1 95 95 LYS HB2 H 1 1.98 . . 1 . . . . . . . . 1672 1 622 . 1 1 95 95 LYS HB3 H 1 1.98 . . 1 . . . . . . . . 1672 1 623 . 1 1 95 95 LYS N N 15 121.6 . . 1 . . . . . . . . 1672 1 624 . 1 1 96 96 THR H H 1 7.72 . . 1 . . . . . . . . 1672 1 625 . 1 1 96 96 THR HA H 1 4.22 . . 1 . . . . . . . . 1672 1 626 . 1 1 96 96 THR HB H 1 4.44 . . 1 . . . . . . . . 1672 1 627 . 1 1 96 96 THR HG21 H 1 1.28 . . 1 . . . . . . . . 1672 1 628 . 1 1 96 96 THR HG22 H 1 1.28 . . 1 . . . . . . . . 1672 1 629 . 1 1 96 96 THR HG23 H 1 1.28 . . 1 . . . . . . . . 1672 1 630 . 1 1 96 96 THR N N 15 116.4 . . 1 . . . . . . . . 1672 1 631 . 1 1 97 97 THR H H 1 7.82 . . 1 . . . . . . . . 1672 1 632 . 1 1 97 97 THR HA H 1 4.12 . . 1 . . . . . . . . 1672 1 633 . 1 1 97 97 THR HB H 1 4.24 . . 1 . . . . . . . . 1672 1 634 . 1 1 97 97 THR HG21 H 1 1.16 . . 1 . . . . . . . . 1672 1 635 . 1 1 97 97 THR HG22 H 1 1.16 . . 1 . . . . . . . . 1672 1 636 . 1 1 97 97 THR HG23 H 1 1.16 . . 1 . . . . . . . . 1672 1 637 . 1 1 97 97 THR N N 15 121.6 . . 1 . . . . . . . . 1672 1 638 . 1 1 98 98 ARG H H 1 8.46 . . 1 . . . . . . . . 1672 1 639 . 1 1 98 98 ARG HA H 1 4.12 . . 1 . . . . . . . . 1672 1 640 . 1 1 98 98 ARG HB2 H 1 1.82 . . 2 . . . . . . . . 1672 1 641 . 1 1 98 98 ARG HB3 H 1 1.97 . . 2 . . . . . . . . 1672 1 642 . 1 1 98 98 ARG N N 15 125.1 . . 1 . . . . . . . . 1672 1 643 . 1 1 99 99 ASN H H 1 8.37 . . 1 . . . . . . . . 1672 1 644 . 1 1 99 99 ASN HA H 1 4.58 . . 1 . . . . . . . . 1672 1 645 . 1 1 99 99 ASN HB2 H 1 2.92 . . 1 . . . . . . . . 1672 1 646 . 1 1 99 99 ASN HB3 H 1 2.92 . . 1 . . . . . . . . 1672 1 647 . 1 1 99 99 ASN N N 15 122 . . 1 . . . . . . . . 1672 1 648 . 1 1 100 100 ALA H H 1 8.07 . . 1 . . . . . . . . 1672 1 649 . 1 1 100 100 ALA HA H 1 4.14 . . 1 . . . . . . . . 1672 1 650 . 1 1 100 100 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 1672 1 651 . 1 1 100 100 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 1672 1 652 . 1 1 100 100 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 1672 1 653 . 1 1 100 100 ALA N N 15 126.3 . . 1 . . . . . . . . 1672 1 654 . 1 1 101 101 TYR H H 1 8.15 . . 1 . . . . . . . . 1672 1 655 . 1 1 101 101 TYR HA H 1 4.39 . . 1 . . . . . . . . 1672 1 656 . 1 1 101 101 TYR HB2 H 1 2.92 . . 2 . . . . . . . . 1672 1 657 . 1 1 101 101 TYR HB3 H 1 3.18 . . 2 . . . . . . . . 1672 1 658 . 1 1 101 101 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 1672 1 659 . 1 1 101 101 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 1672 1 660 . 1 1 101 101 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 1672 1 661 . 1 1 101 101 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 1672 1 662 . 1 1 101 101 TYR N N 15 120.6 . . 1 . . . . . . . . 1672 1 663 . 1 1 102 102 HIS H H 1 8.25 . . 1 . . . . . . . . 1672 1 664 . 1 1 102 102 HIS HA H 1 4.56 . . 1 . . . . . . . . 1672 1 665 . 1 1 102 102 HIS HB2 H 1 3.38 . . 2 . . . . . . . . 1672 1 666 . 1 1 102 102 HIS HB3 H 1 3.42 . . 2 . . . . . . . . 1672 1 667 . 1 1 102 102 HIS HD2 H 1 7.34 . . 1 . . . . . . . . 1672 1 668 . 1 1 102 102 HIS HE1 H 1 8.44 . . 1 . . . . . . . . 1672 1 669 . 1 1 102 102 HIS N N 15 122.8 . . 1 . . . . . . . . 1672 1 670 . 1 1 103 103 GLN H H 1 8.2 . . 1 . . . . . . . . 1672 1 671 . 1 1 103 103 GLN HA H 1 4.14 . . 1 . . . . . . . . 1672 1 672 . 1 1 103 103 GLN HB2 H 1 2.07 . . 1 . . . . . . . . 1672 1 673 . 1 1 103 103 GLN HB3 H 1 2.07 . . 1 . . . . . . . . 1672 1 674 . 1 1 103 103 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 1672 1 675 . 1 1 103 103 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 1672 1 676 . 1 1 103 103 GLN NE2 N 15 114.7 . . 1 . . . . . . . . 1672 1 677 . 1 1 103 103 GLN HE21 H 1 6.63 . . 2 . . . . . . . . 1672 1 678 . 1 1 103 103 GLN HE22 H 1 7.44 . . 2 . . . . . . . . 1672 1 679 . 1 1 103 103 GLN N N 15 121.9 . . 1 . . . . . . . . 1672 1 680 . 1 1 104 104 LYS H H 1 7.84 . . 1 . . . . . . . . 1672 1 681 . 1 1 104 104 LYS HA H 1 4.13 . . 1 . . . . . . . . 1672 1 682 . 1 1 104 104 LYS HB2 H 1 1.49 . . 1 . . . . . . . . 1672 1 683 . 1 1 104 104 LYS HB3 H 1 1.49 . . 1 . . . . . . . . 1672 1 684 . 1 1 104 104 LYS HG2 H 1 1.21 . . 1 . . . . . . . . 1672 1 685 . 1 1 104 104 LYS HG3 H 1 1.21 . . 1 . . . . . . . . 1672 1 686 . 1 1 104 104 LYS HD2 H 1 1.58 . . 1 . . . . . . . . 1672 1 687 . 1 1 104 104 LYS HD3 H 1 1.58 . . 1 . . . . . . . . 1672 1 688 . 1 1 104 104 LYS HE2 H 1 2.9 . . 1 . . . . . . . . 1672 1 689 . 1 1 104 104 LYS HE3 H 1 2.9 . . 1 . . . . . . . . 1672 1 690 . 1 1 104 104 LYS N N 15 122.9 . . 1 . . . . . . . . 1672 1 691 . 1 1 105 105 TYR H H 1 8.09 . . 1 . . . . . . . . 1672 1 692 . 1 1 105 105 TYR HA H 1 4.74 . . 1 . . . . . . . . 1672 1 693 . 1 1 105 105 TYR HB2 H 1 2.85 . . 2 . . . . . . . . 1672 1 694 . 1 1 105 105 TYR HB3 H 1 3.28 . . 2 . . . . . . . . 1672 1 695 . 1 1 105 105 TYR HD1 H 1 7.21 . . 1 . . . . . . . . 1672 1 696 . 1 1 105 105 TYR HD2 H 1 7.21 . . 1 . . . . . . . . 1672 1 697 . 1 1 105 105 TYR HE1 H 1 6.91 . . 1 . . . . . . . . 1672 1 698 . 1 1 105 105 TYR HE2 H 1 6.91 . . 1 . . . . . . . . 1672 1 699 . 1 1 105 105 TYR N N 15 122.1 . . 1 . . . . . . . . 1672 1 700 . 1 1 106 106 ARG H H 1 7.59 . . 1 . . . . . . . . 1672 1 701 . 1 1 106 106 ARG HA H 1 4.21 . . 1 . . . . . . . . 1672 1 702 . 1 1 106 106 ARG HB2 H 1 1.61 . . 2 . . . . . . . . 1672 1 703 . 1 1 106 106 ARG HB3 H 1 1.74 . . 2 . . . . . . . . 1672 1 704 . 1 1 106 106 ARG HG2 H 1 1.81 . . 1 . . . . . . . . 1672 1 705 . 1 1 106 106 ARG HG3 H 1 1.81 . . 1 . . . . . . . . 1672 1 706 . 1 1 106 106 ARG NE N 15 89.1 . . 1 . . . . . . . . 1672 1 707 . 1 1 106 106 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 1672 1 708 . 1 1 106 106 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 1672 1 709 . 1 1 106 106 ARG HE H 1 7.35 . . 1 . . . . . . . . 1672 1 710 . 1 1 106 106 ARG N N 15 129.2 . . 1 . . . . . . . . 1672 1 stop_ save_