data_2031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2031 _Entry.Title ; Secondary Structure and Topology of Human Interleukin 4 in Solution ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _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 Christina Redfield . . . 2031 2 Lorna Smith . J. . 2031 3 Jonathan Boyd . . . 2031 4 G. Lawrence . Mark.P. . 2031 5 Robert Edwards . G. . 2031 6 Richard Smith . A.G. . 2031 7 Christopher Dobson . M. . 2031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 138 2031 '1H chemical shifts' 686 2031 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 4 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2031 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2031 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2031 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2031 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2031 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Redfield, Christina, Smith, Lorna J., Boyd, Jonathan, Lawrence, G. Mark P., Edwards, Robert G., Smith, Richard A.G., Dobson, Christopher M., "Secondary Structure and Topology of Human Interleukin 4 in Solution," Biochemistry 30 (46), 11029-11035 (1991). ; _Citation.Title 'Secondary Structure and Topology of Human Interleukin 4 in Solution' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 46 _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 11029 _Citation.Page_last 11035 _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 Christina Redfield . . . 2031 1 2 Lorna Smith . J. . 2031 1 3 Jonathan Boyd . . . 2031 1 4 G. Lawrence . Mark.P. . 2031 1 5 Robert Edwards . G. . 2031 1 6 Richard Smith . A.G. . 2031 1 7 Christopher Dobson . M. . 2031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_interleukin_4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_interleukin_4 _Assembly.Entry_ID 2031 _Assembly.ID 1 _Assembly.Name 'interleukin 4' _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 'interleukin 4' 1 $interleukin_4 . . . . . . . . . 2031 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'interleukin 4' system 2031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_interleukin_4 _Entity.Sf_category entity _Entity.Sf_framecode interleukin_4 _Entity.Entry_ID 2031 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'interleukin 4' _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 ; MHKCDITLQEIIKTLNSLTE QKTLCTELTVTDIFAASKNT TEKETFCRAATVLXQFYSHH EKDTRCLGATAQQFHRHKQL IRFLKRLDRNLWGLAGLNSC PVKEANQSTLENFLERLKTI MREKYSKCSS ; _Entity.Polymer_seq_one_letter_code ; MHKCDITLQEIIKTLNSLTE QKTLCTELTVTDIFAASKNT TEKETFCRAATVLXQFYSHH EKDTRCLGATAQQFHRHKQL IRFLKRLDRNLWGLAGLNSC PVKEANQSTLENFLERLKTI MREKYSKCSS ; _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 130 _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 BMRB 4094 . "human Interleukin 4" . . . . . 99.23 133 97.67 99.22 4.62e-86 . . . . 2031 1 2 no PDB 1BBN . "Three-Dimensional Solution Structure Of Human Interleukin-4 By Multi- Dimensional Heteronuclear Magnetic Resonance Spectroscopy" . . . . . 99.23 133 97.67 99.22 4.62e-86 . . . . 2031 1 3 no PDB 1BCN . "Three-Dimensional Solution Structure Of Human Interleukin-4 By Multi-Dimensional Heteronuclear Magnetic Resonance Spectroscopy" . . . . . 99.23 133 97.67 99.22 4.62e-86 . . . . 2031 1 4 no PDB 1CYL . "Aspects Of Receptor Binding And Signalling Of Interleukin-4 Investigated By Site-Directed Mutagenesis And Nmr Spectroscopy" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 5 no PDB 1HIJ . "Interleukin-4 Mutant With Arg 88 Replaced With Gln (R88q)" . . . . . 99.23 129 98.45 99.22 1.71e-86 . . . . 2031 1 6 no PDB 1HIK . "Interleukin-4 (Wild-Type)" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 7 no PDB 1HZI . "Interleukin-4 Mutant E9a" . . . . . 99.23 129 98.45 98.45 2.80e-86 . . . . 2031 1 8 no PDB 1IAR . "Interleukin-4 RECEPTOR ALPHA CHAIN COMPLEX" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 9 no PDB 1ITI . "The High Resolution Three-Dimensional Solution Structure Of Human Interleukin-4 Determined By Multi-Dimensional Heteronuclear M" . . . . . 99.23 133 97.67 99.22 4.62e-86 . . . . 2031 1 10 no PDB 1ITL . "Human Interleukin 4: The Solution Structure Of A Four-Helix- Bundle Protein" . . . . . 100.00 130 99.23 99.23 3.55e-88 . . . . 2031 1 11 no PDB 1ITM . "Analysis Of The Solution Structure Of Human Interleukin 4 Determined By Heteronuclear Three-Dimensional Nuclear Magnetic Resona" . . . . . 100.00 130 99.23 99.23 3.55e-88 . . . . 2031 1 12 no PDB 1RCB . "Crystal Structure Of Human Recombinant Interleukin-4 At 2.25 Angstroms Resolution" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 13 no PDB 2B8U . "Crystal Structure Of Wildtype Human Interleukin-4" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 14 no PDB 2B8X . "Crystal Stucture Of The Interleukin-4 Variant F82d" . . . . . 99.23 129 98.45 98.45 1.01e-85 . . . . 2031 1 15 no PDB 2B8Y . "Crystal Structure Of The Interleukin-4 Variant T13df82d" . . . . . 99.23 129 97.67 97.67 5.76e-85 . . . . 2031 1 16 no PDB 2B8Z . "Crystal Structure Of The Interleukin-4 Variant R85a" . . . . . 99.23 129 98.45 98.45 3.97e-86 . . . . 2031 1 17 no PDB 2B90 . "Crystal Structure Of The Interleukin-4 Variant T13dr85a" . . . . . 99.23 129 97.67 97.67 2.86e-85 . . . . 2031 1 18 no PDB 2B91 . "Crystal Structure Of The Interleukin-4 Variant F82dr85a" . . . . . 99.23 129 97.67 97.67 8.62e-85 . . . . 2031 1 19 no PDB 2CYK . "Aspects Of Receptor Binding And Signalling Of Interleukin-4 Investigated By Site-Directed Mutagenesis And Nmr Spectroscopy" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 20 no PDB 2D48 . "Crystal Structure Of The Interleukin-4 Variant T13d" . . . . . 99.23 129 98.45 98.45 2.68e-86 . . . . 2031 1 21 no PDB 2INT . "Crystal Structure Of Recombinant Human Interleukin-4" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 22 no PDB 3BPL . "Crystal Structure Of The Il4-Il4r-Common Gamma Ternary Complex" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 23 no PDB 3BPN . "Crystal Structure Of The Il4-Il4r-Il13ra Ternary Complex" . . . . . 99.23 129 99.22 99.22 4.05e-87 . . . . 2031 1 24 no PDB 4YDY . "Crystal Structure Of Darpin 44c12v5 In Complex With Human Il-4" . . . . . 100.00 130 99.23 99.23 3.55e-88 . . . . 2031 1 25 no EMBL CAA34682 . "alpha mating factor prepropropeptide/interleukin 4 [synthetic construct]" . . . . . 99.23 136 99.22 99.22 3.47e-87 . . . . 2031 1 26 no EMBL CAP72493 . "interleukin 4 [Homo sapiens]" . . . . . 99.23 153 98.45 98.45 6.94e-86 . . . . 2031 1 27 no GB AAA59149 . "interleukin 4 [Homo sapiens]" . . . . . 99.23 153 99.22 99.22 9.94e-87 . . . . 2031 1 28 no GB AAA59150 . "interleukin 4 [Homo sapiens]" . . . . . 99.23 153 99.22 99.22 9.94e-87 . . . . 2031 1 29 no GB AAH66277 . "Interleukin 4, isoform 1 precursor [Homo sapiens]" . . . . . 99.23 153 98.45 98.45 8.54e-86 . . . . 2031 1 30 no GB AAH67514 . "Interleukin 4 [Homo sapiens]" . . . . . 99.23 153 99.22 99.22 9.94e-87 . . . . 2031 1 31 no GB AAH67515 . "Interleukin 4, isoform 1 precursor [Homo sapiens]" . . . . . 99.23 153 98.45 98.45 1.36e-85 . . . . 2031 1 32 no REF NP_000580 . "interleukin-4 isoform 1 precursor [Homo sapiens]" . . . . . 99.23 153 99.22 99.22 9.94e-87 . . . . 2031 1 33 no REF NP_001011714 . "interleukin-4 isoform 1 precursor [Pan troglodytes]" . . . . . 99.23 153 98.45 98.45 5.22e-86 . . . . 2031 1 34 no REF XP_002815914 . "PREDICTED: interleukin-4 isoform X1 [Pongo abelii]" . . . . . 99.23 153 97.67 98.45 1.98e-85 . . . . 2031 1 35 no REF XP_003829346 . "PREDICTED: interleukin-4 isoform X1 [Pan paniscus]" . . . . . 99.23 153 98.45 99.22 4.79e-86 . . . . 2031 1 36 no REF XP_004042527 . "PREDICTED: interleukin-4 isoform 1 [Gorilla gorilla gorilla]" . . . . . 99.23 153 97.67 98.45 2.28e-85 . . . . 2031 1 37 no SP P05112 . "RecName: Full=Interleukin-4; Short=IL-4; AltName: Full=B-cell stimulatory factor 1; Short=BSF-1; AltName: Full=Binetrakin; AltN" . . . . . 99.23 153 99.22 99.22 9.94e-87 . . . . 2031 1 38 no SP P79339 . "RecName: Full=Interleukin-4; Short=IL-4; AltName: Full=B-cell stimulatory factor 1; Short=BSF-1; AltName: Full=Lymphocyte stimu" . . . . . 99.23 153 96.90 98.45 5.89e-85 . . . . 2031 1 39 no SP Q8HYB1 . "RecName: Full=Interleukin-4; Short=IL-4; AltName: Full=B-cell stimulatory factor 1; Short=BSF-1; AltName: Full=Lymphocyte stimu" . . . . . 99.23 153 99.22 99.22 9.94e-87 . . . . 2031 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'interleukin 4' common 2031 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 . MET . 2031 1 2 . HIS . 2031 1 3 . LYS . 2031 1 4 . CYS . 2031 1 5 . ASP . 2031 1 6 . ILE . 2031 1 7 . THR . 2031 1 8 . LEU . 2031 1 9 . GLN . 2031 1 10 . GLU . 2031 1 11 . ILE . 2031 1 12 . ILE . 2031 1 13 . LYS . 2031 1 14 . THR . 2031 1 15 . LEU . 2031 1 16 . ASN . 2031 1 17 . SER . 2031 1 18 . LEU . 2031 1 19 . THR . 2031 1 20 . GLU . 2031 1 21 . GLN . 2031 1 22 . LYS . 2031 1 23 . THR . 2031 1 24 . LEU . 2031 1 25 . CYS . 2031 1 26 . THR . 2031 1 27 . GLU . 2031 1 28 . LEU . 2031 1 29 . THR . 2031 1 30 . VAL . 2031 1 31 . THR . 2031 1 32 . ASP . 2031 1 33 . ILE . 2031 1 34 . PHE . 2031 1 35 . ALA . 2031 1 36 . ALA . 2031 1 37 . SER . 2031 1 38 . LYS . 2031 1 39 . ASN . 2031 1 40 . THR . 2031 1 41 . THR . 2031 1 42 . GLU . 2031 1 43 . LYS . 2031 1 44 . GLU . 2031 1 45 . THR . 2031 1 46 . PHE . 2031 1 47 . CYS . 2031 1 48 . ARG . 2031 1 49 . ALA . 2031 1 50 . ALA . 2031 1 51 . THR . 2031 1 52 . VAL . 2031 1 53 . LEU . 2031 1 54 . X . 2031 1 55 . GLN . 2031 1 56 . PHE . 2031 1 57 . TYR . 2031 1 58 . SER . 2031 1 59 . HIS . 2031 1 60 . HIS . 2031 1 61 . GLU . 2031 1 62 . LYS . 2031 1 63 . ASP . 2031 1 64 . THR . 2031 1 65 . ARG . 2031 1 66 . CYS . 2031 1 67 . LEU . 2031 1 68 . GLY . 2031 1 69 . ALA . 2031 1 70 . THR . 2031 1 71 . ALA . 2031 1 72 . GLN . 2031 1 73 . GLN . 2031 1 74 . PHE . 2031 1 75 . HIS . 2031 1 76 . ARG . 2031 1 77 . HIS . 2031 1 78 . LYS . 2031 1 79 . GLN . 2031 1 80 . LEU . 2031 1 81 . ILE . 2031 1 82 . ARG . 2031 1 83 . PHE . 2031 1 84 . LEU . 2031 1 85 . LYS . 2031 1 86 . ARG . 2031 1 87 . LEU . 2031 1 88 . ASP . 2031 1 89 . ARG . 2031 1 90 . ASN . 2031 1 91 . LEU . 2031 1 92 . TRP . 2031 1 93 . GLY . 2031 1 94 . LEU . 2031 1 95 . ALA . 2031 1 96 . GLY . 2031 1 97 . LEU . 2031 1 98 . ASN . 2031 1 99 . SER . 2031 1 100 . CYS . 2031 1 101 . PRO . 2031 1 102 . VAL . 2031 1 103 . LYS . 2031 1 104 . GLU . 2031 1 105 . ALA . 2031 1 106 . ASN . 2031 1 107 . GLN . 2031 1 108 . SER . 2031 1 109 . THR . 2031 1 110 . LEU . 2031 1 111 . GLU . 2031 1 112 . ASN . 2031 1 113 . PHE . 2031 1 114 . LEU . 2031 1 115 . GLU . 2031 1 116 . ARG . 2031 1 117 . LEU . 2031 1 118 . LYS . 2031 1 119 . THR . 2031 1 120 . ILE . 2031 1 121 . MET . 2031 1 122 . ARG . 2031 1 123 . GLU . 2031 1 124 . LYS . 2031 1 125 . TYR . 2031 1 126 . SER . 2031 1 127 . LYS . 2031 1 128 . CYS . 2031 1 129 . SER . 2031 1 130 . SER . 2031 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 . MET 1 1 2031 1 . HIS 2 2 2031 1 . LYS 3 3 2031 1 . CYS 4 4 2031 1 . ASP 5 5 2031 1 . ILE 6 6 2031 1 . THR 7 7 2031 1 . LEU 8 8 2031 1 . GLN 9 9 2031 1 . GLU 10 10 2031 1 . ILE 11 11 2031 1 . ILE 12 12 2031 1 . LYS 13 13 2031 1 . THR 14 14 2031 1 . LEU 15 15 2031 1 . ASN 16 16 2031 1 . SER 17 17 2031 1 . LEU 18 18 2031 1 . THR 19 19 2031 1 . GLU 20 20 2031 1 . GLN 21 21 2031 1 . LYS 22 22 2031 1 . THR 23 23 2031 1 . LEU 24 24 2031 1 . CYS 25 25 2031 1 . THR 26 26 2031 1 . GLU 27 27 2031 1 . LEU 28 28 2031 1 . THR 29 29 2031 1 . VAL 30 30 2031 1 . THR 31 31 2031 1 . ASP 32 32 2031 1 . ILE 33 33 2031 1 . PHE 34 34 2031 1 . ALA 35 35 2031 1 . ALA 36 36 2031 1 . SER 37 37 2031 1 . LYS 38 38 2031 1 . ASN 39 39 2031 1 . THR 40 40 2031 1 . THR 41 41 2031 1 . GLU 42 42 2031 1 . LYS 43 43 2031 1 . GLU 44 44 2031 1 . THR 45 45 2031 1 . PHE 46 46 2031 1 . CYS 47 47 2031 1 . ARG 48 48 2031 1 . ALA 49 49 2031 1 . ALA 50 50 2031 1 . THR 51 51 2031 1 . VAL 52 52 2031 1 . LEU 53 53 2031 1 . X 54 54 2031 1 . GLN 55 55 2031 1 . PHE 56 56 2031 1 . TYR 57 57 2031 1 . SER 58 58 2031 1 . HIS 59 59 2031 1 . HIS 60 60 2031 1 . GLU 61 61 2031 1 . LYS 62 62 2031 1 . ASP 63 63 2031 1 . THR 64 64 2031 1 . ARG 65 65 2031 1 . CYS 66 66 2031 1 . LEU 67 67 2031 1 . GLY 68 68 2031 1 . ALA 69 69 2031 1 . THR 70 70 2031 1 . ALA 71 71 2031 1 . GLN 72 72 2031 1 . GLN 73 73 2031 1 . PHE 74 74 2031 1 . HIS 75 75 2031 1 . ARG 76 76 2031 1 . HIS 77 77 2031 1 . LYS 78 78 2031 1 . GLN 79 79 2031 1 . LEU 80 80 2031 1 . ILE 81 81 2031 1 . ARG 82 82 2031 1 . PHE 83 83 2031 1 . LEU 84 84 2031 1 . LYS 85 85 2031 1 . ARG 86 86 2031 1 . LEU 87 87 2031 1 . ASP 88 88 2031 1 . ARG 89 89 2031 1 . ASN 90 90 2031 1 . LEU 91 91 2031 1 . TRP 92 92 2031 1 . GLY 93 93 2031 1 . LEU 94 94 2031 1 . ALA 95 95 2031 1 . GLY 96 96 2031 1 . LEU 97 97 2031 1 . ASN 98 98 2031 1 . SER 99 99 2031 1 . CYS 100 100 2031 1 . PRO 101 101 2031 1 . VAL 102 102 2031 1 . LYS 103 103 2031 1 . GLU 104 104 2031 1 . ALA 105 105 2031 1 . ASN 106 106 2031 1 . GLN 107 107 2031 1 . SER 108 108 2031 1 . THR 109 109 2031 1 . LEU 110 110 2031 1 . GLU 111 111 2031 1 . ASN 112 112 2031 1 . PHE 113 113 2031 1 . LEU 114 114 2031 1 . GLU 115 115 2031 1 . ARG 116 116 2031 1 . LEU 117 117 2031 1 . LYS 118 118 2031 1 . THR 119 119 2031 1 . ILE 120 120 2031 1 . MET 121 121 2031 1 . ARG 122 122 2031 1 . GLU 123 123 2031 1 . LYS 124 124 2031 1 . TYR 125 125 2031 1 . SER 126 126 2031 1 . LYS 127 127 2031 1 . CYS 128 128 2031 1 . SER 129 129 2031 1 . SER 130 130 2031 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 2031 _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 $interleukin_4 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . . . . . . . . . . . . . . . . . . 2031 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 2031 _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 $interleukin_4 . 'not available' 'Escherichia coli' . . . Escherichia coli generic . . . . . . . . . . . . . . . . . . . . . . 2031 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2031 _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 2031 _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 5.3 . na 2031 1 temperature 308 . K 2031 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 2031 _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 2031 _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' . . 2031 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 2031 _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 . . . . . . . . . . . . . . . . 2031 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 2031 _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 . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2031 1 N . 'liquid NH3' . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2031 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 2031 _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 . 2031 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.45 . . 1 . . . . . . . . 2031 1 2 . 1 1 3 3 LYS HA H 1 4.47 . . 1 . . . . . . . . 2031 1 3 . 1 1 3 3 LYS N N 15 122.6 . . 1 . . . . . . . . 2031 1 4 . 1 1 4 4 CYS H H 1 8.67 . . 1 . . . . . . . . 2031 1 5 . 1 1 4 4 CYS HA H 1 4.65 . . 1 . . . . . . . . 2031 1 6 . 1 1 4 4 CYS HB2 H 1 2.91 . . 2 . . . . . . . . 2031 1 7 . 1 1 4 4 CYS HB3 H 1 3.1 . . 2 . . . . . . . . 2031 1 8 . 1 1 4 4 CYS N N 15 120.9 . . 1 . . . . . . . . 2031 1 9 . 1 1 5 5 ASP H H 1 8.51 . . 1 . . . . . . . . 2031 1 10 . 1 1 5 5 ASP HA H 1 4.56 . . 1 . . . . . . . . 2031 1 11 . 1 1 5 5 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 2031 1 12 . 1 1 5 5 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 2031 1 13 . 1 1 5 5 ASP N N 15 123.4 . . 1 . . . . . . . . 2031 1 14 . 1 1 6 6 ILE H H 1 8.47 . . 1 . . . . . . . . 2031 1 15 . 1 1 6 6 ILE HA H 1 4 . . 1 . . . . . . . . 2031 1 16 . 1 1 6 6 ILE HB H 1 1.97 . . 1 . . . . . . . . 2031 1 17 . 1 1 6 6 ILE HG12 H 1 1.35 . . 2 . . . . . . . . 2031 1 18 . 1 1 6 6 ILE HG13 H 1 1.51 . . 2 . . . . . . . . 2031 1 19 . 1 1 6 6 ILE HG21 H 1 .99 . . 1 . . . . . . . . 2031 1 20 . 1 1 6 6 ILE HG22 H 1 .99 . . 1 . . . . . . . . 2031 1 21 . 1 1 6 6 ILE HG23 H 1 .99 . . 1 . . . . . . . . 2031 1 22 . 1 1 6 6 ILE HD11 H 1 .89 . . 1 . . . . . . . . 2031 1 23 . 1 1 6 6 ILE HD12 H 1 .89 . . 1 . . . . . . . . 2031 1 24 . 1 1 6 6 ILE HD13 H 1 .89 . . 1 . . . . . . . . 2031 1 25 . 1 1 6 6 ILE N N 15 123.9 . . 1 . . . . . . . . 2031 1 26 . 1 1 7 7 THR H H 1 8.31 . . 1 . . . . . . . . 2031 1 27 . 1 1 7 7 THR HA H 1 3.93 . . 1 . . . . . . . . 2031 1 28 . 1 1 7 7 THR HB H 1 4.09 . . 1 . . . . . . . . 2031 1 29 . 1 1 7 7 THR HG21 H 1 1.2 . . 1 . . . . . . . . 2031 1 30 . 1 1 7 7 THR HG22 H 1 1.2 . . 1 . . . . . . . . 2031 1 31 . 1 1 7 7 THR HG23 H 1 1.2 . . 1 . . . . . . . . 2031 1 32 . 1 1 7 7 THR N N 15 117 . . 1 . . . . . . . . 2031 1 33 . 1 1 8 8 LEU H H 1 7.7 . . 1 . . . . . . . . 2031 1 34 . 1 1 8 8 LEU HA H 1 3.9 . . 1 . . . . . . . . 2031 1 35 . 1 1 8 8 LEU N N 15 121.2 . . 1 . . . . . . . . 2031 1 36 . 1 1 9 9 GLN H H 1 7.85 . . 1 . . . . . . . . 2031 1 37 . 1 1 9 9 GLN HA H 1 3.69 . . 1 . . . . . . . . 2031 1 38 . 1 1 9 9 GLN HB2 H 1 2.14 . . 1 . . . . . . . . 2031 1 39 . 1 1 9 9 GLN HB3 H 1 2.14 . . 1 . . . . . . . . 2031 1 40 . 1 1 9 9 GLN HG2 H 1 2.25 . . 2 . . . . . . . . 2031 1 41 . 1 1 9 9 GLN HG3 H 1 2.37 . . 2 . . . . . . . . 2031 1 42 . 1 1 9 9 GLN NE2 N 15 111.1 . . 1 . . . . . . . . 2031 1 43 . 1 1 9 9 GLN HE21 H 1 7.16 . . 2 . . . . . . . . 2031 1 44 . 1 1 9 9 GLN HE22 H 1 6.83 . . 2 . . . . . . . . 2031 1 45 . 1 1 9 9 GLN N N 15 116.7 . . 1 . . . . . . . . 2031 1 46 . 1 1 10 10 GLU H H 1 7.97 . . 1 . . . . . . . . 2031 1 47 . 1 1 10 10 GLU HA H 1 3.99 . . 1 . . . . . . . . 2031 1 48 . 1 1 10 10 GLU N N 15 119.2 . . 1 . . . . . . . . 2031 1 49 . 1 1 11 11 ILE H H 1 8.12 . . 1 . . . . . . . . 2031 1 50 . 1 1 11 11 ILE HA H 1 3.52 . . 1 . . . . . . . . 2031 1 51 . 1 1 11 11 ILE HB H 1 1.96 . . 1 . . . . . . . . 2031 1 52 . 1 1 11 11 ILE HG12 H 1 1.89 . . 1 . . . . . . . . 2031 1 53 . 1 1 11 11 ILE HG13 H 1 1.89 . . 1 . . . . . . . . 2031 1 54 . 1 1 11 11 ILE HG21 H 1 .78 . . 1 . . . . . . . . 2031 1 55 . 1 1 11 11 ILE HG22 H 1 .78 . . 1 . . . . . . . . 2031 1 56 . 1 1 11 11 ILE HG23 H 1 .78 . . 1 . . . . . . . . 2031 1 57 . 1 1 11 11 ILE HD11 H 1 .61 . . 1 . . . . . . . . 2031 1 58 . 1 1 11 11 ILE HD12 H 1 .61 . . 1 . . . . . . . . 2031 1 59 . 1 1 11 11 ILE HD13 H 1 .61 . . 1 . . . . . . . . 2031 1 60 . 1 1 11 11 ILE N N 15 122.3 . . 1 . . . . . . . . 2031 1 61 . 1 1 12 12 ILE H H 1 7.95 . . 1 . . . . . . . . 2031 1 62 . 1 1 12 12 ILE HA H 1 3.4 . . 1 . . . . . . . . 2031 1 63 . 1 1 12 12 ILE HB H 1 1.71 . . 1 . . . . . . . . 2031 1 64 . 1 1 12 12 ILE HG12 H 1 .93 . . 2 . . . . . . . . 2031 1 65 . 1 1 12 12 ILE HG13 H 1 1.25 . . 2 . . . . . . . . 2031 1 66 . 1 1 12 12 ILE HG21 H 1 .64 . . 1 . . . . . . . . 2031 1 67 . 1 1 12 12 ILE HG22 H 1 .64 . . 1 . . . . . . . . 2031 1 68 . 1 1 12 12 ILE HG23 H 1 .64 . . 1 . . . . . . . . 2031 1 69 . 1 1 12 12 ILE HD11 H 1 .51 . . 1 . . . . . . . . 2031 1 70 . 1 1 12 12 ILE HD12 H 1 .51 . . 1 . . . . . . . . 2031 1 71 . 1 1 12 12 ILE HD13 H 1 .51 . . 1 . . . . . . . . 2031 1 72 . 1 1 12 12 ILE N N 15 120.4 . . 1 . . . . . . . . 2031 1 73 . 1 1 13 13 LYS H H 1 7.97 . . 1 . . . . . . . . 2031 1 74 . 1 1 13 13 LYS HA H 1 3.92 . . 1 . . . . . . . . 2031 1 75 . 1 1 13 13 LYS N N 15 119.5 . . 1 . . . . . . . . 2031 1 76 . 1 1 14 14 THR H H 1 8.13 . . 1 . . . . . . . . 2031 1 77 . 1 1 14 14 THR HA H 1 3.59 . . 1 . . . . . . . . 2031 1 78 . 1 1 14 14 THR HB H 1 4.22 . . 1 . . . . . . . . 2031 1 79 . 1 1 14 14 THR HG21 H 1 1.12 . . 1 . . . . . . . . 2031 1 80 . 1 1 14 14 THR HG22 H 1 1.12 . . 1 . . . . . . . . 2031 1 81 . 1 1 14 14 THR HG23 H 1 1.12 . . 1 . . . . . . . . 2031 1 82 . 1 1 14 14 THR N N 15 117 . . 1 . . . . . . . . 2031 1 83 . 1 1 15 15 LEU H H 1 8.56 . . 1 . . . . . . . . 2031 1 84 . 1 1 15 15 LEU HA H 1 3.95 . . 1 . . . . . . . . 2031 1 85 . 1 1 15 15 LEU N N 15 121.5 . . 1 . . . . . . . . 2031 1 86 . 1 1 16 16 ASN H H 1 8.45 . . 1 . . . . . . . . 2031 1 87 . 1 1 16 16 ASN HA H 1 4.27 . . 1 . . . . . . . . 2031 1 88 . 1 1 16 16 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 2031 1 89 . 1 1 16 16 ASN HB3 H 1 2.91 . . 2 . . . . . . . . 2031 1 90 . 1 1 16 16 ASN ND2 N 15 110.3 . . 1 . . . . . . . . 2031 1 91 . 1 1 16 16 ASN HD21 H 1 7.48 . . 2 . . . . . . . . 2031 1 92 . 1 1 16 16 ASN HD22 H 1 6.55 . . 2 . . . . . . . . 2031 1 93 . 1 1 16 16 ASN N N 15 120 . . 1 . . . . . . . . 2031 1 94 . 1 1 17 17 SER H H 1 7.77 . . 1 . . . . . . . . 2031 1 95 . 1 1 17 17 SER HA H 1 4.18 . . 1 . . . . . . . . 2031 1 96 . 1 1 17 17 SER HB2 H 1 3.55 . . 2 . . . . . . . . 2031 1 97 . 1 1 17 17 SER HB3 H 1 3.61 . . 2 . . . . . . . . 2031 1 98 . 1 1 17 17 SER N N 15 115.8 . . 1 . . . . . . . . 2031 1 99 . 1 1 18 18 LEU H H 1 8.04 . . 1 . . . . . . . . 2031 1 100 . 1 1 18 18 LEU HA H 1 4.02 . . 1 . . . . . . . . 2031 1 101 . 1 1 18 18 LEU HB2 H 1 1.9 . . 2 . . . . . . . . 2031 1 102 . 1 1 18 18 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 2031 1 103 . 1 1 18 18 LEU HG H 1 1.64 . . 1 . . . . . . . . 2031 1 104 . 1 1 18 18 LEU HD11 H 1 .82 . . 2 . . . . . . . . 2031 1 105 . 1 1 18 18 LEU HD12 H 1 .82 . . 2 . . . . . . . . 2031 1 106 . 1 1 18 18 LEU HD13 H 1 .82 . . 2 . . . . . . . . 2031 1 107 . 1 1 18 18 LEU HD21 H 1 1.01 . . 2 . . . . . . . . 2031 1 108 . 1 1 18 18 LEU HD22 H 1 1.01 . . 2 . . . . . . . . 2031 1 109 . 1 1 18 18 LEU HD23 H 1 1.01 . . 2 . . . . . . . . 2031 1 110 . 1 1 18 18 LEU N N 15 120.5 . . 1 . . . . . . . . 2031 1 111 . 1 1 19 19 THR H H 1 7.67 . . 1 . . . . . . . . 2031 1 112 . 1 1 19 19 THR HA H 1 4.34 . . 1 . . . . . . . . 2031 1 113 . 1 1 19 19 THR HB H 1 4.48 . . 1 . . . . . . . . 2031 1 114 . 1 1 19 19 THR HG21 H 1 1.17 . . 1 . . . . . . . . 2031 1 115 . 1 1 19 19 THR HG22 H 1 1.17 . . 1 . . . . . . . . 2031 1 116 . 1 1 19 19 THR HG23 H 1 1.17 . . 1 . . . . . . . . 2031 1 117 . 1 1 19 19 THR N N 15 107.4 . . 1 . . . . . . . . 2031 1 118 . 1 1 20 20 GLU H H 1 7.37 . . 1 . . . . . . . . 2031 1 119 . 1 1 20 20 GLU HA H 1 4.22 . . 1 . . . . . . . . 2031 1 120 . 1 1 20 20 GLU HB2 H 1 2.09 . . 1 . . . . . . . . 2031 1 121 . 1 1 20 20 GLU HB3 H 1 2.09 . . 1 . . . . . . . . 2031 1 122 . 1 1 20 20 GLU HG2 H 1 2.31 . . 2 . . . . . . . . 2031 1 123 . 1 1 20 20 GLU HG3 H 1 2.39 . . 2 . . . . . . . . 2031 1 124 . 1 1 20 20 GLU N N 15 120 . . 1 . . . . . . . . 2031 1 125 . 1 1 21 21 GLN H H 1 7.42 . . 1 . . . . . . . . 2031 1 126 . 1 1 21 21 GLN HA H 1 4.47 . . 1 . . . . . . . . 2031 1 127 . 1 1 21 21 GLN HB2 H 1 1.96 . . 1 . . . . . . . . 2031 1 128 . 1 1 21 21 GLN HB3 H 1 1.96 . . 1 . . . . . . . . 2031 1 129 . 1 1 21 21 GLN HG2 H 1 2.3 . . 1 . . . . . . . . 2031 1 130 . 1 1 21 21 GLN HG3 H 1 2.3 . . 1 . . . . . . . . 2031 1 131 . 1 1 21 21 GLN NE2 N 15 110.6 . . 1 . . . . . . . . 2031 1 132 . 1 1 21 21 GLN HE21 H 1 7.4 . . 2 . . . . . . . . 2031 1 133 . 1 1 21 21 GLN HE22 H 1 6.55 . . 2 . . . . . . . . 2031 1 134 . 1 1 21 21 GLN N N 15 117.1 . . 1 . . . . . . . . 2031 1 135 . 1 1 22 22 LYS H H 1 8.16 . . 1 . . . . . . . . 2031 1 136 . 1 1 22 22 LYS HA H 1 4.42 . . 1 . . . . . . . . 2031 1 137 . 1 1 22 22 LYS N N 15 122.9 . . 1 . . . . . . . . 2031 1 138 . 1 1 23 23 THR H H 1 8.23 . . 1 . . . . . . . . 2031 1 139 . 1 1 23 23 THR HA H 1 4.87 . . 1 . . . . . . . . 2031 1 140 . 1 1 23 23 THR HB H 1 4.58 . . 1 . . . . . . . . 2031 1 141 . 1 1 23 23 THR HG21 H 1 1.27 . . 1 . . . . . . . . 2031 1 142 . 1 1 23 23 THR HG22 H 1 1.27 . . 1 . . . . . . . . 2031 1 143 . 1 1 23 23 THR HG23 H 1 1.27 . . 1 . . . . . . . . 2031 1 144 . 1 1 23 23 THR N N 15 115 . . 1 . . . . . . . . 2031 1 145 . 1 1 24 24 LEU H H 1 8.47 . . 1 . . . . . . . . 2031 1 146 . 1 1 24 24 LEU HA H 1 4.22 . . 1 . . . . . . . . 2031 1 147 . 1 1 24 24 LEU HB2 H 1 1.87 . . 2 . . . . . . . . 2031 1 148 . 1 1 24 24 LEU HB3 H 1 1.68 . . 2 . . . . . . . . 2031 1 149 . 1 1 24 24 LEU HG H 1 1.79 . . 1 . . . . . . . . 2031 1 150 . 1 1 24 24 LEU HD11 H 1 .94 . . 1 . . . . . . . . 2031 1 151 . 1 1 24 24 LEU HD12 H 1 .94 . . 1 . . . . . . . . 2031 1 152 . 1 1 24 24 LEU HD13 H 1 .94 . . 1 . . . . . . . . 2031 1 153 . 1 1 24 24 LEU HD21 H 1 .94 . . 1 . . . . . . . . 2031 1 154 . 1 1 24 24 LEU HD22 H 1 .94 . . 1 . . . . . . . . 2031 1 155 . 1 1 24 24 LEU HD23 H 1 .94 . . 1 . . . . . . . . 2031 1 156 . 1 1 24 24 LEU N N 15 121.6 . . 1 . . . . . . . . 2031 1 157 . 1 1 25 25 CYS H H 1 8.41 . . 1 . . . . . . . . 2031 1 158 . 1 1 25 25 CYS HA H 1 4.5 . . 1 . . . . . . . . 2031 1 159 . 1 1 25 25 CYS HB2 H 1 3.11 . . 2 . . . . . . . . 2031 1 160 . 1 1 25 25 CYS HB3 H 1 3.62 . . 2 . . . . . . . . 2031 1 161 . 1 1 25 25 CYS N N 15 114.4 . . 1 . . . . . . . . 2031 1 162 . 1 1 26 26 THR H H 1 7.75 . . 1 . . . . . . . . 2031 1 163 . 1 1 26 26 THR HA H 1 4.18 . . 1 . . . . . . . . 2031 1 164 . 1 1 26 26 THR HB H 1 4.5 . . 1 . . . . . . . . 2031 1 165 . 1 1 26 26 THR HG21 H 1 1.31 . . 1 . . . . . . . . 2031 1 166 . 1 1 26 26 THR HG22 H 1 1.31 . . 1 . . . . . . . . 2031 1 167 . 1 1 26 26 THR HG23 H 1 1.31 . . 1 . . . . . . . . 2031 1 168 . 1 1 26 26 THR N N 15 108.1 . . 1 . . . . . . . . 2031 1 169 . 1 1 28 28 LEU H H 1 7.04 . . 1 . . . . . . . . 2031 1 170 . 1 1 28 28 LEU HA H 1 4.41 . . 1 . . . . . . . . 2031 1 171 . 1 1 28 28 LEU HB2 H 1 2.02 . . 2 . . . . . . . . 2031 1 172 . 1 1 28 28 LEU HB3 H 1 1.57 . . 2 . . . . . . . . 2031 1 173 . 1 1 28 28 LEU HG H 1 1.79 . . 1 . . . . . . . . 2031 1 174 . 1 1 28 28 LEU HD11 H 1 .81 . . 2 . . . . . . . . 2031 1 175 . 1 1 28 28 LEU HD12 H 1 .81 . . 2 . . . . . . . . 2031 1 176 . 1 1 28 28 LEU HD13 H 1 .81 . . 2 . . . . . . . . 2031 1 177 . 1 1 28 28 LEU HD21 H 1 .58 . . 2 . . . . . . . . 2031 1 178 . 1 1 28 28 LEU HD22 H 1 .58 . . 2 . . . . . . . . 2031 1 179 . 1 1 28 28 LEU HD23 H 1 .58 . . 2 . . . . . . . . 2031 1 180 . 1 1 28 28 LEU N N 15 118.6 . . 1 . . . . . . . . 2031 1 181 . 1 1 29 29 THR H H 1 7.78 . . 1 . . . . . . . . 2031 1 182 . 1 1 29 29 THR HA H 1 4.99 . . 1 . . . . . . . . 2031 1 183 . 1 1 29 29 THR HB H 1 4.18 . . 1 . . . . . . . . 2031 1 184 . 1 1 29 29 THR HG21 H 1 1.1 . . 1 . . . . . . . . 2031 1 185 . 1 1 29 29 THR HG22 H 1 1.1 . . 1 . . . . . . . . 2031 1 186 . 1 1 29 29 THR HG23 H 1 1.1 . . 1 . . . . . . . . 2031 1 187 . 1 1 29 29 THR N N 15 108.1 . . 1 . . . . . . . . 2031 1 188 . 1 1 30 30 VAL H H 1 8.99 . . 1 . . . . . . . . 2031 1 189 . 1 1 30 30 VAL HA H 1 4.62 . . 1 . . . . . . . . 2031 1 190 . 1 1 30 30 VAL HB H 1 1.86 . . 1 . . . . . . . . 2031 1 191 . 1 1 30 30 VAL HG11 H 1 .26 . . 2 . . . . . . . . 2031 1 192 . 1 1 30 30 VAL HG12 H 1 .26 . . 2 . . . . . . . . 2031 1 193 . 1 1 30 30 VAL HG13 H 1 .26 . . 2 . . . . . . . . 2031 1 194 . 1 1 30 30 VAL HG21 H 1 .66 . . 2 . . . . . . . . 2031 1 195 . 1 1 30 30 VAL HG22 H 1 .66 . . 2 . . . . . . . . 2031 1 196 . 1 1 30 30 VAL HG23 H 1 .66 . . 2 . . . . . . . . 2031 1 197 . 1 1 30 30 VAL N N 15 113.9 . . 1 . . . . . . . . 2031 1 198 . 1 1 31 31 THR H H 1 7.78 . . 1 . . . . . . . . 2031 1 199 . 1 1 31 31 THR HA H 1 4.08 . . 1 . . . . . . . . 2031 1 200 . 1 1 31 31 THR HB H 1 3.82 . . 1 . . . . . . . . 2031 1 201 . 1 1 31 31 THR HG21 H 1 1.07 . . 1 . . . . . . . . 2031 1 202 . 1 1 31 31 THR HG22 H 1 1.07 . . 1 . . . . . . . . 2031 1 203 . 1 1 31 31 THR HG23 H 1 1.07 . . 1 . . . . . . . . 2031 1 204 . 1 1 31 31 THR N N 15 118.4 . . 1 . . . . . . . . 2031 1 205 . 1 1 32 32 ASP H H 1 8.58 . . 1 . . . . . . . . 2031 1 206 . 1 1 32 32 ASP HA H 1 4.68 . . 1 . . . . . . . . 2031 1 207 . 1 1 32 32 ASP HB2 H 1 2.31 . . 2 . . . . . . . . 2031 1 208 . 1 1 32 32 ASP HB3 H 1 2.77 . . 2 . . . . . . . . 2031 1 209 . 1 1 32 32 ASP N N 15 123.8 . . 1 . . . . . . . . 2031 1 210 . 1 1 33 33 ILE H H 1 7.01 . . 1 . . . . . . . . 2031 1 211 . 1 1 33 33 ILE HA H 1 4.04 . . 1 . . . . . . . . 2031 1 212 . 1 1 33 33 ILE HB H 1 1.92 . . 1 . . . . . . . . 2031 1 213 . 1 1 33 33 ILE HG12 H 1 .45 . . 2 . . . . . . . . 2031 1 214 . 1 1 33 33 ILE HG13 H 1 .69 . . 2 . . . . . . . . 2031 1 215 . 1 1 33 33 ILE HG21 H 1 .87 . . 1 . . . . . . . . 2031 1 216 . 1 1 33 33 ILE HG22 H 1 .87 . . 1 . . . . . . . . 2031 1 217 . 1 1 33 33 ILE HG23 H 1 .87 . . 1 . . . . . . . . 2031 1 218 . 1 1 33 33 ILE HD11 H 1 .27 . . 1 . . . . . . . . 2031 1 219 . 1 1 33 33 ILE HD12 H 1 .27 . . 1 . . . . . . . . 2031 1 220 . 1 1 33 33 ILE HD13 H 1 .27 . . 1 . . . . . . . . 2031 1 221 . 1 1 33 33 ILE N N 15 116.3 . . 1 . . . . . . . . 2031 1 222 . 1 1 34 34 PHE H H 1 8.14 . . 1 . . . . . . . . 2031 1 223 . 1 1 34 34 PHE HA H 1 4.42 . . 1 . . . . . . . . 2031 1 224 . 1 1 34 34 PHE HB2 H 1 3.08 . . 2 . . . . . . . . 2031 1 225 . 1 1 34 34 PHE HB3 H 1 3.23 . . 2 . . . . . . . . 2031 1 226 . 1 1 34 34 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 2031 1 227 . 1 1 34 34 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 2031 1 228 . 1 1 34 34 PHE HE1 H 1 6.58 . . 1 . . . . . . . . 2031 1 229 . 1 1 34 34 PHE HE2 H 1 6.58 . . 1 . . . . . . . . 2031 1 230 . 1 1 34 34 PHE HZ H 1 6.51 . . 1 . . . . . . . . 2031 1 231 . 1 1 34 34 PHE N N 15 120.2 . . 1 . . . . . . . . 2031 1 232 . 1 1 35 35 ALA H H 1 7.44 . . 1 . . . . . . . . 2031 1 233 . 1 1 35 35 ALA HA H 1 4.22 . . 1 . . . . . . . . 2031 1 234 . 1 1 35 35 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 2031 1 235 . 1 1 35 35 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 2031 1 236 . 1 1 35 35 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 2031 1 237 . 1 1 35 35 ALA N N 15 123.6 . . 1 . . . . . . . . 2031 1 238 . 1 1 36 36 ALA H H 1 7.67 . . 1 . . . . . . . . 2031 1 239 . 1 1 36 36 ALA HA H 1 4.42 . . 1 . . . . . . . . 2031 1 240 . 1 1 36 36 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 2031 1 241 . 1 1 36 36 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 2031 1 242 . 1 1 36 36 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 2031 1 243 . 1 1 36 36 ALA N N 15 120.5 . . 1 . . . . . . . . 2031 1 244 . 1 1 37 37 SER H H 1 7.81 . . 1 . . . . . . . . 2031 1 245 . 1 1 37 37 SER HA H 1 4.36 . . 1 . . . . . . . . 2031 1 246 . 1 1 37 37 SER HB2 H 1 3.87 . . 2 . . . . . . . . 2031 1 247 . 1 1 37 37 SER HB3 H 1 3.94 . . 2 . . . . . . . . 2031 1 248 . 1 1 37 37 SER N N 15 114.1 . . 1 . . . . . . . . 2031 1 249 . 1 1 38 38 LYS H H 1 8.14 . . 1 . . . . . . . . 2031 1 250 . 1 1 38 38 LYS HA H 1 4.26 . . 1 . . . . . . . . 2031 1 251 . 1 1 38 38 LYS HB2 H 1 1.79 . . 1 . . . . . . . . 2031 1 252 . 1 1 38 38 LYS HB3 H 1 1.79 . . 1 . . . . . . . . 2031 1 253 . 1 1 38 38 LYS N N 15 122.4 . . 1 . . . . . . . . 2031 1 254 . 1 1 39 39 ASN H H 1 8.41 . . 1 . . . . . . . . 2031 1 255 . 1 1 39 39 ASN HA H 1 4.71 . . 1 . . . . . . . . 2031 1 256 . 1 1 39 39 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 2031 1 257 . 1 1 39 39 ASN HB3 H 1 2.9 . . 2 . . . . . . . . 2031 1 258 . 1 1 39 39 ASN ND2 N 15 112.4 . . 1 . . . . . . . . 2031 1 259 . 1 1 39 39 ASN HD21 H 1 7.52 . . 2 . . . . . . . . 2031 1 260 . 1 1 39 39 ASN HD22 H 1 6.83 . . 2 . . . . . . . . 2031 1 261 . 1 1 39 39 ASN N N 15 117.9 . . 1 . . . . . . . . 2031 1 262 . 1 1 40 40 THR H H 1 7.73 . . 1 . . . . . . . . 2031 1 263 . 1 1 40 40 THR HA H 1 4.54 . . 1 . . . . . . . . 2031 1 264 . 1 1 40 40 THR HB H 1 4.09 . . 1 . . . . . . . . 2031 1 265 . 1 1 40 40 THR HG21 H 1 1.14 . . 1 . . . . . . . . 2031 1 266 . 1 1 40 40 THR HG22 H 1 1.14 . . 1 . . . . . . . . 2031 1 267 . 1 1 40 40 THR HG23 H 1 1.14 . . 1 . . . . . . . . 2031 1 268 . 1 1 40 40 THR N N 15 114.3 . . 1 . . . . . . . . 2031 1 269 . 1 1 41 41 THR H H 1 8.43 . . 1 . . . . . . . . 2031 1 270 . 1 1 41 41 THR HA H 1 4.46 . . 1 . . . . . . . . 2031 1 271 . 1 1 41 41 THR HG21 H 1 1.31 . . 1 . . . . . . . . 2031 1 272 . 1 1 41 41 THR HG22 H 1 1.31 . . 1 . . . . . . . . 2031 1 273 . 1 1 41 41 THR HG23 H 1 1.31 . . 1 . . . . . . . . 2031 1 274 . 1 1 41 41 THR N N 15 114.7 . . 1 . . . . . . . . 2031 1 275 . 1 1 42 42 GLU H H 1 8.73 . . 1 . . . . . . . . 2031 1 276 . 1 1 42 42 GLU HA H 1 4.62 . . 1 . . . . . . . . 2031 1 277 . 1 1 42 42 GLU HB2 H 1 1.84 . . 1 . . . . . . . . 2031 1 278 . 1 1 42 42 GLU HB3 H 1 1.84 . . 1 . . . . . . . . 2031 1 279 . 1 1 42 42 GLU N N 15 123.1 . . 1 . . . . . . . . 2031 1 280 . 1 1 43 43 LYS H H 1 7.99 . . 1 . . . . . . . . 2031 1 281 . 1 1 43 43 LYS HA H 1 3.79 . . 1 . . . . . . . . 2031 1 282 . 1 1 43 43 LYS N N 15 116.1 . . 1 . . . . . . . . 2031 1 283 . 1 1 44 44 GLU H H 1 7.5 . . 1 . . . . . . . . 2031 1 284 . 1 1 44 44 GLU HA H 1 3.82 . . 1 . . . . . . . . 2031 1 285 . 1 1 44 44 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 2031 1 286 . 1 1 44 44 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 2031 1 287 . 1 1 44 44 GLU N N 15 117.8 . . 1 . . . . . . . . 2031 1 288 . 1 1 45 45 THR H H 1 8.1 . . 1 . . . . . . . . 2031 1 289 . 1 1 45 45 THR HA H 1 3.7 . . 1 . . . . . . . . 2031 1 290 . 1 1 45 45 THR HB H 1 4.11 . . 1 . . . . . . . . 2031 1 291 . 1 1 45 45 THR HG21 H 1 1.06 . . 1 . . . . . . . . 2031 1 292 . 1 1 45 45 THR HG22 H 1 1.06 . . 1 . . . . . . . . 2031 1 293 . 1 1 45 45 THR HG23 H 1 1.06 . . 1 . . . . . . . . 2031 1 294 . 1 1 45 45 THR N N 15 118.2 . . 1 . . . . . . . . 2031 1 295 . 1 1 46 46 PHE H H 1 8.3 . . 1 . . . . . . . . 2031 1 296 . 1 1 46 46 PHE HA H 1 4.49 . . 1 . . . . . . . . 2031 1 297 . 1 1 46 46 PHE HB2 H 1 3.17 . . 2 . . . . . . . . 2031 1 298 . 1 1 46 46 PHE HB3 H 1 3.29 . . 2 . . . . . . . . 2031 1 299 . 1 1 46 46 PHE HD1 H 1 6.9 . . 1 . . . . . . . . 2031 1 300 . 1 1 46 46 PHE HD2 H 1 6.9 . . 1 . . . . . . . . 2031 1 301 . 1 1 46 46 PHE HE1 H 1 7.2 . . 1 . . . . . . . . 2031 1 302 . 1 1 46 46 PHE HE2 H 1 7.2 . . 1 . . . . . . . . 2031 1 303 . 1 1 46 46 PHE HZ H 1 7.04 . . 1 . . . . . . . . 2031 1 304 . 1 1 46 46 PHE N N 15 119.9 . . 1 . . . . . . . . 2031 1 305 . 1 1 47 47 CYS H H 1 8.16 . . 1 . . . . . . . . 2031 1 306 . 1 1 47 47 CYS HA H 1 3.97 . . 1 . . . . . . . . 2031 1 307 . 1 1 47 47 CYS HB2 H 1 3.04 . . 2 . . . . . . . . 2031 1 308 . 1 1 47 47 CYS HB3 H 1 3.27 . . 2 . . . . . . . . 2031 1 309 . 1 1 47 47 CYS N N 15 119.8 . . 1 . . . . . . . . 2031 1 310 . 1 1 48 48 ARG H H 1 9.02 . . 1 . . . . . . . . 2031 1 311 . 1 1 48 48 ARG HA H 1 3.86 . . 1 . . . . . . . . 2031 1 312 . 1 1 48 48 ARG HD2 H 1 2.97 . . 2 . . . . . . . . 2031 1 313 . 1 1 48 48 ARG HD3 H 1 3.2 . . 2 . . . . . . . . 2031 1 314 . 1 1 48 48 ARG HE H 1 7.38 . . 1 . . . . . . . . 2031 1 315 . 1 1 48 48 ARG N N 15 124 . . 1 . . . . . . . . 2031 1 316 . 1 1 49 49 ALA H H 1 8.79 . . 1 . . . . . . . . 2031 1 317 . 1 1 49 49 ALA HA H 1 4.19 . . 1 . . . . . . . . 2031 1 318 . 1 1 49 49 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 2031 1 319 . 1 1 49 49 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 2031 1 320 . 1 1 49 49 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 2031 1 321 . 1 1 49 49 ALA N N 15 121.5 . . 1 . . . . . . . . 2031 1 322 . 1 1 50 50 ALA H H 1 8.2 . . 1 . . . . . . . . 2031 1 323 . 1 1 50 50 ALA HA H 1 3.97 . . 1 . . . . . . . . 2031 1 324 . 1 1 50 50 ALA N N 15 120.3 . . 1 . . . . . . . . 2031 1 325 . 1 1 51 51 THR H H 1 8.18 . . 1 . . . . . . . . 2031 1 326 . 1 1 51 51 THR HA H 1 3.76 . . 1 . . . . . . . . 2031 1 327 . 1 1 51 51 THR HB H 1 4.55 . . 1 . . . . . . . . 2031 1 328 . 1 1 51 51 THR HG21 H 1 1.29 . . 1 . . . . . . . . 2031 1 329 . 1 1 51 51 THR HG22 H 1 1.29 . . 1 . . . . . . . . 2031 1 330 . 1 1 51 51 THR HG23 H 1 1.29 . . 1 . . . . . . . . 2031 1 331 . 1 1 51 51 THR N N 15 114.4 . . 1 . . . . . . . . 2031 1 332 . 1 1 52 52 VAL H H 1 8.2 . . 1 . . . . . . . . 2031 1 333 . 1 1 52 52 VAL HA H 1 3.81 . . 1 . . . . . . . . 2031 1 334 . 1 1 52 52 VAL HB H 1 2.2 . . 1 . . . . . . . . 2031 1 335 . 1 1 52 52 VAL HG11 H 1 .8 . . 2 . . . . . . . . 2031 1 336 . 1 1 52 52 VAL HG12 H 1 .8 . . 2 . . . . . . . . 2031 1 337 . 1 1 52 52 VAL HG13 H 1 .8 . . 2 . . . . . . . . 2031 1 338 . 1 1 52 52 VAL HG21 H 1 1.08 . . 2 . . . . . . . . 2031 1 339 . 1 1 52 52 VAL HG22 H 1 1.08 . . 2 . . . . . . . . 2031 1 340 . 1 1 52 52 VAL HG23 H 1 1.08 . . 2 . . . . . . . . 2031 1 341 . 1 1 52 52 VAL N N 15 120.7 . . 1 . . . . . . . . 2031 1 342 . 1 1 53 53 LEU H H 1 8.14 . . 1 . . . . . . . . 2031 1 343 . 1 1 53 53 LEU HA H 1 3.96 . . 1 . . . . . . . . 2031 1 344 . 1 1 53 53 LEU HB2 H 1 2.15 . . 1 . . . . . . . . 2031 1 345 . 1 1 53 53 LEU HB3 H 1 2.15 . . 1 . . . . . . . . 2031 1 346 . 1 1 53 53 LEU HG H 1 2.15 . . 1 . . . . . . . . 2031 1 347 . 1 1 53 53 LEU HD11 H 1 2.15 . . 1 . . . . . . . . 2031 1 348 . 1 1 53 53 LEU HD12 H 1 2.15 . . 1 . . . . . . . . 2031 1 349 . 1 1 53 53 LEU HD13 H 1 2.15 . . 1 . . . . . . . . 2031 1 350 . 1 1 53 53 LEU HD21 H 1 2.15 . . 1 . . . . . . . . 2031 1 351 . 1 1 53 53 LEU HD22 H 1 2.15 . . 1 . . . . . . . . 2031 1 352 . 1 1 53 53 LEU HD23 H 1 2.15 . . 1 . . . . . . . . 2031 1 353 . 1 1 53 53 LEU N N 15 120.9 . . 1 . . . . . . . . 2031 1 354 . 1 1 55 55 GLN H H 1 8.06 . . 1 . . . . . . . . 2031 1 355 . 1 1 55 55 GLN HA H 1 3.83 . . 1 . . . . . . . . 2031 1 356 . 1 1 55 55 GLN HB2 H 1 2.09 . . 1 . . . . . . . . 2031 1 357 . 1 1 55 55 GLN HB3 H 1 2.09 . . 1 . . . . . . . . 2031 1 358 . 1 1 55 55 GLN HG2 H 1 2.32 . . 2 . . . . . . . . 2031 1 359 . 1 1 55 55 GLN HG3 H 1 2.51 . . 2 . . . . . . . . 2031 1 360 . 1 1 55 55 GLN NE2 N 15 110.2 . . 1 . . . . . . . . 2031 1 361 . 1 1 55 55 GLN HE21 H 1 6.72 . . 2 . . . . . . . . 2031 1 362 . 1 1 55 55 GLN HE22 H 1 7.27 . . 2 . . . . . . . . 2031 1 363 . 1 1 55 55 GLN N N 15 120.6 . . 1 . . . . . . . . 2031 1 364 . 1 1 56 56 PHE H H 1 8.03 . . 1 . . . . . . . . 2031 1 365 . 1 1 56 56 PHE HA H 1 4.32 . . 1 . . . . . . . . 2031 1 366 . 1 1 56 56 PHE HB2 H 1 3.16 . . 2 . . . . . . . . 2031 1 367 . 1 1 56 56 PHE HB3 H 1 3.41 . . 2 . . . . . . . . 2031 1 368 . 1 1 56 56 PHE HD1 H 1 7.12 . . 1 . . . . . . . . 2031 1 369 . 1 1 56 56 PHE HD2 H 1 7.12 . . 1 . . . . . . . . 2031 1 370 . 1 1 56 56 PHE HE1 H 1 6.94 . . 1 . . . . . . . . 2031 1 371 . 1 1 56 56 PHE HE2 H 1 6.94 . . 1 . . . . . . . . 2031 1 372 . 1 1 56 56 PHE HZ H 1 7.31 . . 1 . . . . . . . . 2031 1 373 . 1 1 56 56 PHE N N 15 119.2 . . 1 . . . . . . . . 2031 1 374 . 1 1 57 57 TYR H H 1 9.22 . . 1 . . . . . . . . 2031 1 375 . 1 1 57 57 TYR HA H 1 4.26 . . 1 . . . . . . . . 2031 1 376 . 1 1 57 57 TYR HB2 H 1 2.91 . . 2 . . . . . . . . 2031 1 377 . 1 1 57 57 TYR HB3 H 1 3.4 . . 2 . . . . . . . . 2031 1 378 . 1 1 57 57 TYR HD1 H 1 6.94 . . 1 . . . . . . . . 2031 1 379 . 1 1 57 57 TYR HD2 H 1 6.94 . . 1 . . . . . . . . 2031 1 380 . 1 1 57 57 TYR HE1 H 1 6.82 . . 1 . . . . . . . . 2031 1 381 . 1 1 57 57 TYR HE2 H 1 6.82 . . 1 . . . . . . . . 2031 1 382 . 1 1 57 57 TYR N N 15 117.3 . . 1 . . . . . . . . 2031 1 383 . 1 1 58 58 SER H H 1 7.97 . . 1 . . . . . . . . 2031 1 384 . 1 1 58 58 SER HA H 1 4.4 . . 1 . . . . . . . . 2031 1 385 . 1 1 58 58 SER HB2 H 1 3.76 . . 2 . . . . . . . . 2031 1 386 . 1 1 58 58 SER HB3 H 1 3.81 . . 2 . . . . . . . . 2031 1 387 . 1 1 58 58 SER N N 15 118.9 . . 1 . . . . . . . . 2031 1 388 . 1 1 59 59 HIS H H 1 7.54 . . 1 . . . . . . . . 2031 1 389 . 1 1 59 59 HIS HA H 1 4.55 . . 1 . . . . . . . . 2031 1 390 . 1 1 59 59 HIS HB2 H 1 2.77 . . 2 . . . . . . . . 2031 1 391 . 1 1 59 59 HIS HB3 H 1 2.71 . . 2 . . . . . . . . 2031 1 392 . 1 1 59 59 HIS N N 15 116.3 . . 1 . . . . . . . . 2031 1 393 . 1 1 60 60 HIS H H 1 7.9 . . 1 . . . . . . . . 2031 1 394 . 1 1 60 60 HIS HA H 1 5.01 . . 1 . . . . . . . . 2031 1 395 . 1 1 60 60 HIS HB2 H 1 3.45 . . 2 . . . . . . . . 2031 1 396 . 1 1 60 60 HIS HB3 H 1 2.21 . . 2 . . . . . . . . 2031 1 397 . 1 1 60 60 HIS HD2 H 1 6.05 . . 1 . . . . . . . . 2031 1 398 . 1 1 60 60 HIS HE1 H 1 8.47 . . 1 . . . . . . . . 2031 1 399 . 1 1 60 60 HIS N N 15 111.4 . . 1 . . . . . . . . 2031 1 400 . 1 1 61 61 GLU H H 1 8.08 . . 1 . . . . . . . . 2031 1 401 . 1 1 61 61 GLU HA H 1 3.95 . . 1 . . . . . . . . 2031 1 402 . 1 1 61 61 GLU N N 15 124.5 . . 1 . . . . . . . . 2031 1 403 . 1 1 62 62 LYS H H 1 8.59 . . 1 . . . . . . . . 2031 1 404 . 1 1 62 62 LYS HA H 1 4.48 . . 1 . . . . . . . . 2031 1 405 . 1 1 62 62 LYS N N 15 116.5 . . 1 . . . . . . . . 2031 1 406 . 1 1 63 63 ASP H H 1 6.6 . . 1 . . . . . . . . 2031 1 407 . 1 1 63 63 ASP HA H 1 4.58 . . 1 . . . . . . . . 2031 1 408 . 1 1 63 63 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 2031 1 409 . 1 1 63 63 ASP HB3 H 1 2.99 . . 2 . . . . . . . . 2031 1 410 . 1 1 63 63 ASP N N 15 119.2 . . 1 . . . . . . . . 2031 1 411 . 1 1 64 64 THR H H 1 8.79 . . 1 . . . . . . . . 2031 1 412 . 1 1 64 64 THR HA H 1 3.84 . . 1 . . . . . . . . 2031 1 413 . 1 1 64 64 THR HB H 1 4.29 . . 1 . . . . . . . . 2031 1 414 . 1 1 64 64 THR HG21 H 1 1.34 . . 1 . . . . . . . . 2031 1 415 . 1 1 64 64 THR HG22 H 1 1.34 . . 1 . . . . . . . . 2031 1 416 . 1 1 64 64 THR HG23 H 1 1.34 . . 1 . . . . . . . . 2031 1 417 . 1 1 64 64 THR N N 15 122.7 . . 1 . . . . . . . . 2031 1 418 . 1 1 65 65 ARG H H 1 8.49 . . 1 . . . . . . . . 2031 1 419 . 1 1 65 65 ARG HA H 1 4.08 . . 1 . . . . . . . . 2031 1 420 . 1 1 65 65 ARG HD2 H 1 3.2 . . 2 . . . . . . . . 2031 1 421 . 1 1 65 65 ARG HD3 H 1 3.26 . . 2 . . . . . . . . 2031 1 422 . 1 1 65 65 ARG HE H 1 7.51 . . 1 . . . . . . . . 2031 1 423 . 1 1 65 65 ARG N N 15 121.5 . . 1 . . . . . . . . 2031 1 424 . 1 1 66 66 CYS H H 1 7.43 . . 1 . . . . . . . . 2031 1 425 . 1 1 66 66 CYS HA H 1 4.39 . . 1 . . . . . . . . 2031 1 426 . 1 1 66 66 CYS HB2 H 1 2.6 . . 2 . . . . . . . . 2031 1 427 . 1 1 66 66 CYS HB3 H 1 3.1 . . 2 . . . . . . . . 2031 1 428 . 1 1 66 66 CYS N N 15 113.6 . . 1 . . . . . . . . 2031 1 429 . 1 1 67 67 LEU H H 1 7.38 . . 1 . . . . . . . . 2031 1 430 . 1 1 67 67 LEU HA H 1 3.74 . . 1 . . . . . . . . 2031 1 431 . 1 1 67 67 LEU HD11 H 1 .73 . . 1 . . . . . . . . 2031 1 432 . 1 1 67 67 LEU HD12 H 1 .73 . . 1 . . . . . . . . 2031 1 433 . 1 1 67 67 LEU HD13 H 1 .73 . . 1 . . . . . . . . 2031 1 434 . 1 1 67 67 LEU HD21 H 1 .73 . . 1 . . . . . . . . 2031 1 435 . 1 1 67 67 LEU HD22 H 1 .73 . . 1 . . . . . . . . 2031 1 436 . 1 1 67 67 LEU HD23 H 1 .73 . . 1 . . . . . . . . 2031 1 437 . 1 1 67 67 LEU N N 15 119.4 . . 1 . . . . . . . . 2031 1 438 . 1 1 68 68 GLY H H 1 7.08 . . 1 . . . . . . . . 2031 1 439 . 1 1 68 68 GLY HA2 H 1 3.68 . . 2 . . . . . . . . 2031 1 440 . 1 1 68 68 GLY HA3 H 1 3.91 . . 2 . . . . . . . . 2031 1 441 . 1 1 68 68 GLY N N 15 99.6 . . 1 . . . . . . . . 2031 1 442 . 1 1 69 69 ALA H H 1 8.4 . . 1 . . . . . . . . 2031 1 443 . 1 1 69 69 ALA HA H 1 4.7 . . 1 . . . . . . . . 2031 1 444 . 1 1 69 69 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 2031 1 445 . 1 1 69 69 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 2031 1 446 . 1 1 69 69 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 2031 1 447 . 1 1 69 69 ALA N N 15 120.8 . . 1 . . . . . . . . 2031 1 448 . 1 1 70 70 THR H H 1 7.59 . . 1 . . . . . . . . 2031 1 449 . 1 1 70 70 THR HA H 1 4.71 . . 1 . . . . . . . . 2031 1 450 . 1 1 70 70 THR HB H 1 4.62 . . 1 . . . . . . . . 2031 1 451 . 1 1 70 70 THR HG21 H 1 1.25 . . 1 . . . . . . . . 2031 1 452 . 1 1 70 70 THR HG22 H 1 1.25 . . 1 . . . . . . . . 2031 1 453 . 1 1 70 70 THR HG23 H 1 1.25 . . 1 . . . . . . . . 2031 1 454 . 1 1 70 70 THR N N 15 107.7 . . 1 . . . . . . . . 2031 1 455 . 1 1 71 71 ALA H H 1 8.93 . . 1 . . . . . . . . 2031 1 456 . 1 1 71 71 ALA HA H 1 4.12 . . 1 . . . . . . . . 2031 1 457 . 1 1 71 71 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 2031 1 458 . 1 1 71 71 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 2031 1 459 . 1 1 71 71 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 2031 1 460 . 1 1 71 71 ALA N N 15 124.9 . . 1 . . . . . . . . 2031 1 461 . 1 1 72 72 GLN H H 1 8.5 . . 1 . . . . . . . . 2031 1 462 . 1 1 72 72 GLN HA H 1 4.21 . . 1 . . . . . . . . 2031 1 463 . 1 1 72 72 GLN HB2 H 1 2.08 . . 2 . . . . . . . . 2031 1 464 . 1 1 72 72 GLN HB3 H 1 2.18 . . 2 . . . . . . . . 2031 1 465 . 1 1 72 72 GLN HG2 H 1 2.49 . . 1 . . . . . . . . 2031 1 466 . 1 1 72 72 GLN HG3 H 1 2.49 . . 1 . . . . . . . . 2031 1 467 . 1 1 72 72 GLN NE2 N 15 111.9 . . 1 . . . . . . . . 2031 1 468 . 1 1 72 72 GLN HE21 H 1 6.92 . . 2 . . . . . . . . 2031 1 469 . 1 1 72 72 GLN HE22 H 1 7.52 . . 2 . . . . . . . . 2031 1 470 . 1 1 72 72 GLN N N 15 117 . . 1 . . . . . . . . 2031 1 471 . 1 1 73 73 GLN H H 1 7.81 . . 1 . . . . . . . . 2031 1 472 . 1 1 73 73 GLN HA H 1 4.12 . . 1 . . . . . . . . 2031 1 473 . 1 1 73 73 GLN NE2 N 15 112.6 . . 1 . . . . . . . . 2031 1 474 . 1 1 73 73 GLN HE21 H 1 7.04 . . 2 . . . . . . . . 2031 1 475 . 1 1 73 73 GLN HE22 H 1 7.54 . . 2 . . . . . . . . 2031 1 476 . 1 1 73 73 GLN N N 15 119.8 . . 1 . . . . . . . . 2031 1 477 . 1 1 74 74 PHE H H 1 8.41 . . 1 . . . . . . . . 2031 1 478 . 1 1 74 74 PHE HA H 1 4.52 . . 1 . . . . . . . . 2031 1 479 . 1 1 74 74 PHE HB2 H 1 3.27 . . 2 . . . . . . . . 2031 1 480 . 1 1 74 74 PHE HB3 H 1 3.48 . . 2 . . . . . . . . 2031 1 481 . 1 1 74 74 PHE HD1 H 1 7.23 . . 1 . . . . . . . . 2031 1 482 . 1 1 74 74 PHE HD2 H 1 7.23 . . 1 . . . . . . . . 2031 1 483 . 1 1 74 74 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 2031 1 484 . 1 1 74 74 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 2031 1 485 . 1 1 74 74 PHE N N 15 122.9 . . 1 . . . . . . . . 2031 1 486 . 1 1 75 75 HIS H H 1 8.46 . . 1 . . . . . . . . 2031 1 487 . 1 1 75 75 HIS HA H 1 4.26 . . 1 . . . . . . . . 2031 1 488 . 1 1 75 75 HIS HB2 H 1 3.35 . . 2 . . . . . . . . 2031 1 489 . 1 1 75 75 HIS HB3 H 1 3.28 . . 2 . . . . . . . . 2031 1 490 . 1 1 75 75 HIS N N 15 117.5 . . 1 . . . . . . . . 2031 1 491 . 1 1 76 76 ARG H H 1 8.21 . . 1 . . . . . . . . 2031 1 492 . 1 1 76 76 ARG HA H 1 4.02 . . 1 . . . . . . . . 2031 1 493 . 1 1 76 76 ARG N N 15 119.2 . . 1 . . . . . . . . 2031 1 494 . 1 1 77 77 HIS H H 1 8.33 . . 1 . . . . . . . . 2031 1 495 . 1 1 77 77 HIS HA H 1 4.59 . . 1 . . . . . . . . 2031 1 496 . 1 1 77 77 HIS HB2 H 1 3.2 . . 2 . . . . . . . . 2031 1 497 . 1 1 77 77 HIS HB3 H 1 3.32 . . 2 . . . . . . . . 2031 1 498 . 1 1 77 77 HIS N N 15 120.8 . . 1 . . . . . . . . 2031 1 499 . 1 1 78 78 LYS H H 1 8.16 . . 1 . . . . . . . . 2031 1 500 . 1 1 78 78 LYS HA H 1 3.63 . . 1 . . . . . . . . 2031 1 501 . 1 1 78 78 LYS N N 15 117.5 . . 1 . . . . . . . . 2031 1 502 . 1 1 79 79 GLN H H 1 7.9 . . 1 . . . . . . . . 2031 1 503 . 1 1 79 79 GLN HA H 1 3.74 . . 1 . . . . . . . . 2031 1 504 . 1 1 79 79 GLN NE2 N 15 112 . . 1 . . . . . . . . 2031 1 505 . 1 1 79 79 GLN HE21 H 1 6.82 . . 2 . . . . . . . . 2031 1 506 . 1 1 79 79 GLN HE22 H 1 7.08 . . 2 . . . . . . . . 2031 1 507 . 1 1 79 79 GLN N N 15 118.5 . . 1 . . . . . . . . 2031 1 508 . 1 1 80 80 LEU H H 1 7.89 . . 1 . . . . . . . . 2031 1 509 . 1 1 80 80 LEU HA H 1 4.02 . . 1 . . . . . . . . 2031 1 510 . 1 1 80 80 LEU HD11 H 1 1 . . 2 . . . . . . . . 2031 1 511 . 1 1 80 80 LEU HD12 H 1 1 . . 2 . . . . . . . . 2031 1 512 . 1 1 80 80 LEU HD13 H 1 1 . . 2 . . . . . . . . 2031 1 513 . 1 1 80 80 LEU HD21 H 1 .91 . . 2 . . . . . . . . 2031 1 514 . 1 1 80 80 LEU HD22 H 1 .91 . . 2 . . . . . . . . 2031 1 515 . 1 1 80 80 LEU HD23 H 1 .91 . . 2 . . . . . . . . 2031 1 516 . 1 1 80 80 LEU N N 15 121.7 . . 1 . . . . . . . . 2031 1 517 . 1 1 81 81 ILE H H 1 8.1 . . 1 . . . . . . . . 2031 1 518 . 1 1 81 81 ILE HA H 1 3.53 . . 1 . . . . . . . . 2031 1 519 . 1 1 81 81 ILE HB H 1 2.06 . . 1 . . . . . . . . 2031 1 520 . 1 1 81 81 ILE HG12 H 1 1.02 . . 2 . . . . . . . . 2031 1 521 . 1 1 81 81 ILE HG13 H 1 1.35 . . 2 . . . . . . . . 2031 1 522 . 1 1 81 81 ILE HG21 H 1 .76 . . 1 . . . . . . . . 2031 1 523 . 1 1 81 81 ILE HG22 H 1 .76 . . 1 . . . . . . . . 2031 1 524 . 1 1 81 81 ILE HG23 H 1 .76 . . 1 . . . . . . . . 2031 1 525 . 1 1 81 81 ILE HD11 H 1 .69 . . 1 . . . . . . . . 2031 1 526 . 1 1 81 81 ILE HD12 H 1 .69 . . 1 . . . . . . . . 2031 1 527 . 1 1 81 81 ILE HD13 H 1 .69 . . 1 . . . . . . . . 2031 1 528 . 1 1 81 81 ILE N N 15 116.4 . . 1 . . . . . . . . 2031 1 529 . 1 1 82 82 ARG H H 1 7.84 . . 1 . . . . . . . . 2031 1 530 . 1 1 82 82 ARG HA H 1 3.79 . . 1 . . . . . . . . 2031 1 531 . 1 1 82 82 ARG N N 15 119.4 . . 1 . . . . . . . . 2031 1 532 . 1 1 83 83 PHE H H 1 8.51 . . 1 . . . . . . . . 2031 1 533 . 1 1 83 83 PHE HA H 1 4.45 . . 1 . . . . . . . . 2031 1 534 . 1 1 83 83 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 2031 1 535 . 1 1 83 83 PHE HB3 H 1 3.42 . . 2 . . . . . . . . 2031 1 536 . 1 1 83 83 PHE HD1 H 1 7.19 . . 1 . . . . . . . . 2031 1 537 . 1 1 83 83 PHE HD2 H 1 7.19 . . 1 . . . . . . . . 2031 1 538 . 1 1 83 83 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 2031 1 539 . 1 1 83 83 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 2031 1 540 . 1 1 83 83 PHE N N 15 119 . . 1 . . . . . . . . 2031 1 541 . 1 1 84 84 LEU H H 1 8.81 . . 1 . . . . . . . . 2031 1 542 . 1 1 84 84 LEU HA H 1 4.1 . . 1 . . . . . . . . 2031 1 543 . 1 1 84 84 LEU HD11 H 1 1.02 . . 2 . . . . . . . . 2031 1 544 . 1 1 84 84 LEU HD12 H 1 1.02 . . 2 . . . . . . . . 2031 1 545 . 1 1 84 84 LEU HD13 H 1 1.02 . . 2 . . . . . . . . 2031 1 546 . 1 1 84 84 LEU HD21 H 1 .96 . . 2 . . . . . . . . 2031 1 547 . 1 1 84 84 LEU HD22 H 1 .96 . . 2 . . . . . . . . 2031 1 548 . 1 1 84 84 LEU HD23 H 1 .96 . . 2 . . . . . . . . 2031 1 549 . 1 1 84 84 LEU N N 15 120.4 . . 1 . . . . . . . . 2031 1 550 . 1 1 85 85 LYS H H 1 8.14 . . 1 . . . . . . . . 2031 1 551 . 1 1 85 85 LYS HA H 1 3.78 . . 1 . . . . . . . . 2031 1 552 . 1 1 85 85 LYS N N 15 119 . . 1 . . . . . . . . 2031 1 553 . 1 1 86 86 ARG H H 1 7.64 . . 1 . . . . . . . . 2031 1 554 . 1 1 86 86 ARG HA H 1 4.01 . . 1 . . . . . . . . 2031 1 555 . 1 1 86 86 ARG HG2 H 1 1.58 . . 2 . . . . . . . . 2031 1 556 . 1 1 86 86 ARG HG3 H 1 1.75 . . 2 . . . . . . . . 2031 1 557 . 1 1 86 86 ARG N N 15 120.5 . . 1 . . . . . . . . 2031 1 558 . 1 1 87 87 LEU H H 1 8.51 . . 1 . . . . . . . . 2031 1 559 . 1 1 87 87 LEU HA H 1 4.09 . . 1 . . . . . . . . 2031 1 560 . 1 1 87 87 LEU N N 15 120.3 . . 1 . . . . . . . . 2031 1 561 . 1 1 88 88 ASP H H 1 8.36 . . 1 . . . . . . . . 2031 1 562 . 1 1 88 88 ASP HA H 1 4.27 . . 1 . . . . . . . . 2031 1 563 . 1 1 88 88 ASP HB2 H 1 3.16 . . 2 . . . . . . . . 2031 1 564 . 1 1 88 88 ASP HB3 H 1 3.29 . . 2 . . . . . . . . 2031 1 565 . 1 1 88 88 ASP N N 15 117.5 . . 1 . . . . . . . . 2031 1 566 . 1 1 89 89 ARG H H 1 7.59 . . 1 . . . . . . . . 2031 1 567 . 1 1 89 89 ARG HA H 1 4.02 . . 1 . . . . . . . . 2031 1 568 . 1 1 89 89 ARG N N 15 115.2 . . 1 . . . . . . . . 2031 1 569 . 1 1 90 90 ASN H H 1 8.21 . . 1 . . . . . . . . 2031 1 570 . 1 1 90 90 ASN HA H 1 4.57 . . 1 . . . . . . . . 2031 1 571 . 1 1 90 90 ASN HB2 H 1 2.46 . . 2 . . . . . . . . 2031 1 572 . 1 1 90 90 ASN HB3 H 1 2.73 . . 2 . . . . . . . . 2031 1 573 . 1 1 90 90 ASN ND2 N 15 108.8 . . 1 . . . . . . . . 2031 1 574 . 1 1 90 90 ASN HD21 H 1 7.17 . . 2 . . . . . . . . 2031 1 575 . 1 1 90 90 ASN HD22 H 1 7.01 . . 2 . . . . . . . . 2031 1 576 . 1 1 90 90 ASN N N 15 116.9 . . 1 . . . . . . . . 2031 1 577 . 1 1 91 91 LEU H H 1 8.81 . . 1 . . . . . . . . 2031 1 578 . 1 1 91 91 LEU HA H 1 3.83 . . 1 . . . . . . . . 2031 1 579 . 1 1 91 91 LEU N N 15 121.7 . . 1 . . . . . . . . 2031 1 580 . 1 1 92 92 TRP H H 1 9.04 . . 1 . . . . . . . . 2031 1 581 . 1 1 92 92 TRP HA H 1 4.25 . . 1 . . . . . . . . 2031 1 582 . 1 1 92 92 TRP HB2 H 1 3.35 . . 2 . . . . . . . . 2031 1 583 . 1 1 92 92 TRP HB3 H 1 3.38 . . 2 . . . . . . . . 2031 1 584 . 1 1 92 92 TRP HD1 H 1 7.27 . . 1 . . . . . . . . 2031 1 585 . 1 1 92 92 TRP HE1 H 1 9.83 . . 1 . . . . . . . . 2031 1 586 . 1 1 92 92 TRP HE3 H 1 7.57 . . 1 . . . . . . . . 2031 1 587 . 1 1 92 92 TRP HZ2 H 1 7.43 . . 1 . . . . . . . . 2031 1 588 . 1 1 92 92 TRP HZ3 H 1 7.23 . . 1 . . . . . . . . 2031 1 589 . 1 1 92 92 TRP HH2 H 1 7.17 . . 1 . . . . . . . . 2031 1 590 . 1 1 92 92 TRP N N 15 119.3 . . 1 . . . . . . . . 2031 1 591 . 1 1 93 93 GLY H H 1 8.03 . . 1 . . . . . . . . 2031 1 592 . 1 1 93 93 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 2031 1 593 . 1 1 93 93 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 2031 1 594 . 1 1 93 93 GLY N N 15 106.2 . . 1 . . . . . . . . 2031 1 595 . 1 1 94 94 LEU H H 1 7.68 . . 1 . . . . . . . . 2031 1 596 . 1 1 94 94 LEU HA H 1 4.15 . . 1 . . . . . . . . 2031 1 597 . 1 1 94 94 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 2031 1 598 . 1 1 94 94 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 2031 1 599 . 1 1 94 94 LEU HG H 1 1.59 . . 1 . . . . . . . . 2031 1 600 . 1 1 94 94 LEU HD11 H 1 .53 . . 1 . . . . . . . . 2031 1 601 . 1 1 94 94 LEU HD12 H 1 .53 . . 1 . . . . . . . . 2031 1 602 . 1 1 94 94 LEU HD13 H 1 .53 . . 1 . . . . . . . . 2031 1 603 . 1 1 94 94 LEU HD21 H 1 .53 . . 1 . . . . . . . . 2031 1 604 . 1 1 94 94 LEU HD22 H 1 .53 . . 1 . . . . . . . . 2031 1 605 . 1 1 94 94 LEU HD23 H 1 .53 . . 1 . . . . . . . . 2031 1 606 . 1 1 94 94 LEU N N 15 121.2 . . 1 . . . . . . . . 2031 1 607 . 1 1 95 95 ALA H H 1 7.98 . . 1 . . . . . . . . 2031 1 608 . 1 1 95 95 ALA HA H 1 4.19 . . 1 . . . . . . . . 2031 1 609 . 1 1 95 95 ALA HB1 H 1 1.57 . . 1 . . . . . . . . 2031 1 610 . 1 1 95 95 ALA HB2 H 1 1.57 . . 1 . . . . . . . . 2031 1 611 . 1 1 95 95 ALA HB3 H 1 1.57 . . 1 . . . . . . . . 2031 1 612 . 1 1 95 95 ALA N N 15 119.8 . . 1 . . . . . . . . 2031 1 613 . 1 1 96 96 GLY H H 1 7.59 . . 1 . . . . . . . . 2031 1 614 . 1 1 96 96 GLY HA2 H 1 3.64 . . 2 . . . . . . . . 2031 1 615 . 1 1 96 96 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 2031 1 616 . 1 1 96 96 GLY N N 15 102.1 . . 1 . . . . . . . . 2031 1 617 . 1 1 97 97 LEU H H 1 7.51 . . 1 . . . . . . . . 2031 1 618 . 1 1 97 97 LEU HA H 1 4.39 . . 1 . . . . . . . . 2031 1 619 . 1 1 97 97 LEU HB2 H 1 1.43 . . 1 . . . . . . . . 2031 1 620 . 1 1 97 97 LEU HB3 H 1 1.43 . . 1 . . . . . . . . 2031 1 621 . 1 1 97 97 LEU HG H 1 1.57 . . 1 . . . . . . . . 2031 1 622 . 1 1 97 97 LEU HD11 H 1 .83 . . 1 . . . . . . . . 2031 1 623 . 1 1 97 97 LEU HD12 H 1 .83 . . 1 . . . . . . . . 2031 1 624 . 1 1 97 97 LEU HD13 H 1 .83 . . 1 . . . . . . . . 2031 1 625 . 1 1 97 97 LEU HD21 H 1 .83 . . 1 . . . . . . . . 2031 1 626 . 1 1 97 97 LEU HD22 H 1 .83 . . 1 . . . . . . . . 2031 1 627 . 1 1 97 97 LEU HD23 H 1 .83 . . 1 . . . . . . . . 2031 1 628 . 1 1 97 97 LEU N N 15 118.6 . . 1 . . . . . . . . 2031 1 629 . 1 1 98 98 ASN H H 1 8.42 . . 1 . . . . . . . . 2031 1 630 . 1 1 98 98 ASN HA H 1 4.82 . . 1 . . . . . . . . 2031 1 631 . 1 1 98 98 ASN HB2 H 1 2.72 . . 1 . . . . . . . . 2031 1 632 . 1 1 98 98 ASN HB3 H 1 2.72 . . 1 . . . . . . . . 2031 1 633 . 1 1 98 98 ASN ND2 N 15 112.3 . . 1 . . . . . . . . 2031 1 634 . 1 1 98 98 ASN HD21 H 1 7.37 . . 2 . . . . . . . . 2031 1 635 . 1 1 98 98 ASN HD22 H 1 6.81 . . 2 . . . . . . . . 2031 1 636 . 1 1 98 98 ASN N N 15 117.2 . . 1 . . . . . . . . 2031 1 637 . 1 1 99 99 SER H H 1 7.48 . . 1 . . . . . . . . 2031 1 638 . 1 1 99 99 SER HA H 1 4.61 . . 1 . . . . . . . . 2031 1 639 . 1 1 99 99 SER HB2 H 1 3.81 . . 2 . . . . . . . . 2031 1 640 . 1 1 99 99 SER HB3 H 1 3.82 . . 2 . . . . . . . . 2031 1 641 . 1 1 99 99 SER N N 15 112 . . 1 . . . . . . . . 2031 1 642 . 1 1 100 100 CYS H H 1 8.93 . . 1 . . . . . . . . 2031 1 643 . 1 1 100 100 CYS HA H 1 4.93 . . 1 . . . . . . . . 2031 1 644 . 1 1 100 100 CYS HB2 H 1 3.08 . . 2 . . . . . . . . 2031 1 645 . 1 1 100 100 CYS HB3 H 1 3.49 . . 2 . . . . . . . . 2031 1 646 . 1 1 100 100 CYS N N 15 118.9 . . 1 . . . . . . . . 2031 1 647 . 1 1 101 101 PRO HA H 1 4.31 . . 1 . . . . . . . . 2031 1 648 . 1 1 101 101 PRO HB2 H 1 3.56 . . 2 . . . . . . . . 2031 1 649 . 1 1 101 101 PRO HB3 H 1 3.66 . . 2 . . . . . . . . 2031 1 650 . 1 1 102 102 VAL H H 1 8.41 . . 1 . . . . . . . . 2031 1 651 . 1 1 102 102 VAL HA H 1 4.12 . . 1 . . . . . . . . 2031 1 652 . 1 1 102 102 VAL HB H 1 1.93 . . 1 . . . . . . . . 2031 1 653 . 1 1 102 102 VAL HG11 H 1 .82 . . 2 . . . . . . . . 2031 1 654 . 1 1 102 102 VAL HG12 H 1 .82 . . 2 . . . . . . . . 2031 1 655 . 1 1 102 102 VAL HG13 H 1 .82 . . 2 . . . . . . . . 2031 1 656 . 1 1 102 102 VAL HG21 H 1 .95 . . 2 . . . . . . . . 2031 1 657 . 1 1 102 102 VAL HG22 H 1 .95 . . 2 . . . . . . . . 2031 1 658 . 1 1 102 102 VAL HG23 H 1 .95 . . 2 . . . . . . . . 2031 1 659 . 1 1 102 102 VAL N N 15 122.3 . . 1 . . . . . . . . 2031 1 660 . 1 1 103 103 LYS H H 1 8.51 . . 1 . . . . . . . . 2031 1 661 . 1 1 103 103 LYS HA H 1 4.38 . . 1 . . . . . . . . 2031 1 662 . 1 1 103 103 LYS N N 15 128.1 . . 1 . . . . . . . . 2031 1 663 . 1 1 104 104 GLU H H 1 8.26 . . 1 . . . . . . . . 2031 1 664 . 1 1 104 104 GLU HA H 1 4.17 . . 1 . . . . . . . . 2031 1 665 . 1 1 104 104 GLU HB2 H 1 1.91 . . 2 . . . . . . . . 2031 1 666 . 1 1 104 104 GLU HB3 H 1 2.22 . . 2 . . . . . . . . 2031 1 667 . 1 1 104 104 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 2031 1 668 . 1 1 104 104 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 2031 1 669 . 1 1 104 104 GLU N N 15 123.4 . . 1 . . . . . . . . 2031 1 670 . 1 1 105 105 ALA H H 1 8.15 . . 1 . . . . . . . . 2031 1 671 . 1 1 105 105 ALA HA H 1 4.43 . . 1 . . . . . . . . 2031 1 672 . 1 1 105 105 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 2031 1 673 . 1 1 105 105 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 2031 1 674 . 1 1 105 105 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 2031 1 675 . 1 1 105 105 ALA N N 15 125.5 . . 1 . . . . . . . . 2031 1 676 . 1 1 106 106 ASN H H 1 8.3 . . 1 . . . . . . . . 2031 1 677 . 1 1 106 106 ASN HA H 1 4.64 . . 1 . . . . . . . . 2031 1 678 . 1 1 106 106 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 2031 1 679 . 1 1 106 106 ASN HB3 H 1 2.92 . . 2 . . . . . . . . 2031 1 680 . 1 1 106 106 ASN ND2 N 15 113.8 . . 1 . . . . . . . . 2031 1 681 . 1 1 106 106 ASN HD21 H 1 7.78 . . 2 . . . . . . . . 2031 1 682 . 1 1 106 106 ASN HD22 H 1 6.99 . . 2 . . . . . . . . 2031 1 683 . 1 1 106 106 ASN N N 15 117.9 . . 1 . . . . . . . . 2031 1 684 . 1 1 107 107 GLN H H 1 8.7 . . 1 . . . . . . . . 2031 1 685 . 1 1 107 107 GLN HA H 1 5.06 . . 1 . . . . . . . . 2031 1 686 . 1 1 107 107 GLN NE2 N 15 113.3 . . 1 . . . . . . . . 2031 1 687 . 1 1 107 107 GLN HE21 H 1 6.61 . . 2 . . . . . . . . 2031 1 688 . 1 1 107 107 GLN HE22 H 1 7.27 . . 2 . . . . . . . . 2031 1 689 . 1 1 107 107 GLN N N 15 119.3 . . 1 . . . . . . . . 2031 1 690 . 1 1 108 108 SER H H 1 9.1 . . 1 . . . . . . . . 2031 1 691 . 1 1 108 108 SER HA H 1 4.99 . . 1 . . . . . . . . 2031 1 692 . 1 1 108 108 SER HB2 H 1 3.7 . . 2 . . . . . . . . 2031 1 693 . 1 1 108 108 SER HB3 H 1 3.99 . . 2 . . . . . . . . 2031 1 694 . 1 1 108 108 SER N N 15 116 . . 1 . . . . . . . . 2031 1 695 . 1 1 109 109 THR H H 1 8.9 . . 1 . . . . . . . . 2031 1 696 . 1 1 109 109 THR HA H 1 4.41 . . 1 . . . . . . . . 2031 1 697 . 1 1 109 109 THR HB H 1 4.72 . . 1 . . . . . . . . 2031 1 698 . 1 1 109 109 THR HG21 H 1 1.39 . . 1 . . . . . . . . 2031 1 699 . 1 1 109 109 THR HG22 H 1 1.39 . . 1 . . . . . . . . 2031 1 700 . 1 1 109 109 THR HG23 H 1 1.39 . . 1 . . . . . . . . 2031 1 701 . 1 1 109 109 THR N N 15 113.4 . . 1 . . . . . . . . 2031 1 702 . 1 1 110 110 LEU H H 1 8.87 . . 1 . . . . . . . . 2031 1 703 . 1 1 110 110 LEU HA H 1 3.95 . . 1 . . . . . . . . 2031 1 704 . 1 1 110 110 LEU HB2 H 1 .93 . . 2 . . . . . . . . 2031 1 705 . 1 1 110 110 LEU HB3 H 1 1.77 . . 2 . . . . . . . . 2031 1 706 . 1 1 110 110 LEU HG H 1 1.37 . . 1 . . . . . . . . 2031 1 707 . 1 1 110 110 LEU HD11 H 1 .3 . . 2 . . . . . . . . 2031 1 708 . 1 1 110 110 LEU HD12 H 1 .3 . . 2 . . . . . . . . 2031 1 709 . 1 1 110 110 LEU HD13 H 1 .3 . . 2 . . . . . . . . 2031 1 710 . 1 1 110 110 LEU HD21 H 1 .1 . . 2 . . . . . . . . 2031 1 711 . 1 1 110 110 LEU HD22 H 1 .1 . . 2 . . . . . . . . 2031 1 712 . 1 1 110 110 LEU HD23 H 1 .1 . . 2 . . . . . . . . 2031 1 713 . 1 1 110 110 LEU N N 15 125.3 . . 1 . . . . . . . . 2031 1 714 . 1 1 111 111 GLU H H 1 8.54 . . 1 . . . . . . . . 2031 1 715 . 1 1 111 111 GLU HA H 1 3.94 . . 1 . . . . . . . . 2031 1 716 . 1 1 111 111 GLU N N 15 117.3 . . 1 . . . . . . . . 2031 1 717 . 1 1 112 112 ASN H H 1 7.9 . . 1 . . . . . . . . 2031 1 718 . 1 1 112 112 ASN HA H 1 4.4 . . 1 . . . . . . . . 2031 1 719 . 1 1 112 112 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 2031 1 720 . 1 1 112 112 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 2031 1 721 . 1 1 112 112 ASN ND2 N 15 112.4 . . 1 . . . . . . . . 2031 1 722 . 1 1 112 112 ASN HD21 H 1 7.67 . . 2 . . . . . . . . 2031 1 723 . 1 1 112 112 ASN HD22 H 1 6.92 . . 2 . . . . . . . . 2031 1 724 . 1 1 112 112 ASN N N 15 117.9 . . 1 . . . . . . . . 2031 1 725 . 1 1 113 113 PHE H H 1 8.38 . . 1 . . . . . . . . 2031 1 726 . 1 1 113 113 PHE HA H 1 4.37 . . 1 . . . . . . . . 2031 1 727 . 1 1 113 113 PHE HB2 H 1 2.99 . . 2 . . . . . . . . 2031 1 728 . 1 1 113 113 PHE HB3 H 1 3.46 . . 2 . . . . . . . . 2031 1 729 . 1 1 113 113 PHE HD1 H 1 7.2 . . 1 . . . . . . . . 2031 1 730 . 1 1 113 113 PHE HD2 H 1 7.2 . . 1 . . . . . . . . 2031 1 731 . 1 1 113 113 PHE N N 15 123 . . 1 . . . . . . . . 2031 1 732 . 1 1 114 114 LEU H H 1 8.91 . . 1 . . . . . . . . 2031 1 733 . 1 1 114 114 LEU HA H 1 3.87 . . 1 . . . . . . . . 2031 1 734 . 1 1 114 114 LEU N N 15 118.2 . . 1 . . . . . . . . 2031 1 735 . 1 1 115 115 GLU H H 1 7.97 . . 1 . . . . . . . . 2031 1 736 . 1 1 115 115 GLU HA H 1 4.4 . . 1 . . . . . . . . 2031 1 737 . 1 1 115 115 GLU HB2 H 1 2.39 . . 1 . . . . . . . . 2031 1 738 . 1 1 115 115 GLU HB3 H 1 2.39 . . 1 . . . . . . . . 2031 1 739 . 1 1 115 115 GLU N N 15 118.9 . . 1 . . . . . . . . 2031 1 740 . 1 1 116 116 ARG H H 1 7.94 . . 1 . . . . . . . . 2031 1 741 . 1 1 116 116 ARG HA H 1 3.83 . . 1 . . . . . . . . 2031 1 742 . 1 1 116 116 ARG HD2 H 1 2.93 . . 2 . . . . . . . . 2031 1 743 . 1 1 116 116 ARG HD3 H 1 3.01 . . 2 . . . . . . . . 2031 1 744 . 1 1 116 116 ARG HE H 1 6.9 . . 1 . . . . . . . . 2031 1 745 . 1 1 116 116 ARG N N 15 121.1 . . 1 . . . . . . . . 2031 1 746 . 1 1 117 117 LEU H H 1 8.09 . . 1 . . . . . . . . 2031 1 747 . 1 1 117 117 LEU HA H 1 3.76 . . 1 . . . . . . . . 2031 1 748 . 1 1 117 117 LEU N N 15 119.7 . . 1 . . . . . . . . 2031 1 749 . 1 1 118 118 LYS H H 1 8.51 . . 1 . . . . . . . . 2031 1 750 . 1 1 118 118 LYS HA H 1 3.62 . . 1 . . . . . . . . 2031 1 751 . 1 1 118 118 LYS HB2 H 1 2.09 . . 1 . . . . . . . . 2031 1 752 . 1 1 118 118 LYS HB3 H 1 2.09 . . 1 . . . . . . . . 2031 1 753 . 1 1 118 118 LYS HG2 H 1 2.09 . . 1 . . . . . . . . 2031 1 754 . 1 1 118 118 LYS HG3 H 1 2.09 . . 1 . . . . . . . . 2031 1 755 . 1 1 118 118 LYS HD2 H 1 2.09 . . 1 . . . . . . . . 2031 1 756 . 1 1 118 118 LYS HD3 H 1 2.09 . . 1 . . . . . . . . 2031 1 757 . 1 1 118 118 LYS N N 15 119.8 . . 1 . . . . . . . . 2031 1 758 . 1 1 119 119 THR H H 1 7.92 . . 1 . . . . . . . . 2031 1 759 . 1 1 119 119 THR HA H 1 3.79 . . 1 . . . . . . . . 2031 1 760 . 1 1 119 119 THR HB H 1 4.27 . . 1 . . . . . . . . 2031 1 761 . 1 1 119 119 THR HG21 H 1 1.18 . . 1 . . . . . . . . 2031 1 762 . 1 1 119 119 THR HG22 H 1 1.18 . . 1 . . . . . . . . 2031 1 763 . 1 1 119 119 THR HG23 H 1 1.18 . . 1 . . . . . . . . 2031 1 764 . 1 1 119 119 THR N N 15 116.4 . . 1 . . . . . . . . 2031 1 765 . 1 1 120 120 ILE H H 1 7.71 . . 1 . . . . . . . . 2031 1 766 . 1 1 120 120 ILE HA H 1 3.82 . . 1 . . . . . . . . 2031 1 767 . 1 1 120 120 ILE HB H 1 1.89 . . 1 . . . . . . . . 2031 1 768 . 1 1 120 120 ILE HG12 H 1 1.11 . . 2 . . . . . . . . 2031 1 769 . 1 1 120 120 ILE HG13 H 1 1.56 . . 2 . . . . . . . . 2031 1 770 . 1 1 120 120 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 2031 1 771 . 1 1 120 120 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 2031 1 772 . 1 1 120 120 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 2031 1 773 . 1 1 120 120 ILE HD11 H 1 .67 . . 1 . . . . . . . . 2031 1 774 . 1 1 120 120 ILE HD12 H 1 .67 . . 1 . . . . . . . . 2031 1 775 . 1 1 120 120 ILE HD13 H 1 .67 . . 1 . . . . . . . . 2031 1 776 . 1 1 120 120 ILE N N 15 121.5 . . 1 . . . . . . . . 2031 1 777 . 1 1 121 121 MET H H 1 8.44 . . 1 . . . . . . . . 2031 1 778 . 1 1 121 121 MET HA H 1 4.4 . . 1 . . . . . . . . 2031 1 779 . 1 1 121 121 MET HB2 H 1 1.73 . . 2 . . . . . . . . 2031 1 780 . 1 1 121 121 MET HB3 H 1 2.02 . . 2 . . . . . . . . 2031 1 781 . 1 1 121 121 MET HG2 H 1 2.31 . . 2 . . . . . . . . 2031 1 782 . 1 1 121 121 MET HG3 H 1 2.71 . . 2 . . . . . . . . 2031 1 783 . 1 1 121 121 MET N N 15 118.2 . . 1 . . . . . . . . 2031 1 784 . 1 1 122 122 ARG H H 1 8.64 . . 1 . . . . . . . . 2031 1 785 . 1 1 122 122 ARG HA H 1 3.96 . . 1 . . . . . . . . 2031 1 786 . 1 1 122 122 ARG N N 15 120.2 . . 1 . . . . . . . . 2031 1 787 . 1 1 123 123 GLU H H 1 7.87 . . 1 . . . . . . . . 2031 1 788 . 1 1 123 123 GLU HA H 1 4.1 . . 1 . . . . . . . . 2031 1 789 . 1 1 123 123 GLU N N 15 120.1 . . 1 . . . . . . . . 2031 1 790 . 1 1 124 124 LYS H H 1 7.88 . . 1 . . . . . . . . 2031 1 791 . 1 1 124 124 LYS HA H 1 4.1 . . 1 . . . . . . . . 2031 1 792 . 1 1 124 124 LYS N N 15 119.3 . . 1 . . . . . . . . 2031 1 793 . 1 1 125 125 TYR H H 1 8.55 . . 1 . . . . . . . . 2031 1 794 . 1 1 125 125 TYR HA H 1 4.5 . . 1 . . . . . . . . 2031 1 795 . 1 1 125 125 TYR HB2 H 1 2.98 . . 2 . . . . . . . . 2031 1 796 . 1 1 125 125 TYR HB3 H 1 3.1 . . 2 . . . . . . . . 2031 1 797 . 1 1 125 125 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 2031 1 798 . 1 1 125 125 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 2031 1 799 . 1 1 125 125 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 2031 1 800 . 1 1 125 125 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 2031 1 801 . 1 1 125 125 TYR N N 15 120.1 . . 1 . . . . . . . . 2031 1 802 . 1 1 126 126 SER H H 1 8.1 . . 1 . . . . . . . . 2031 1 803 . 1 1 126 126 SER HA H 1 4.17 . . 1 . . . . . . . . 2031 1 804 . 1 1 126 126 SER HB2 H 1 4.03 . . 2 . . . . . . . . 2031 1 805 . 1 1 126 126 SER HB3 H 1 4.04 . . 2 . . . . . . . . 2031 1 806 . 1 1 126 126 SER N N 15 114.8 . . 1 . . . . . . . . 2031 1 807 . 1 1 127 127 LYS H H 1 7.53 . . 1 . . . . . . . . 2031 1 808 . 1 1 127 127 LYS HA H 1 4.3 . . 1 . . . . . . . . 2031 1 809 . 1 1 127 127 LYS N N 15 119 . . 1 . . . . . . . . 2031 1 810 . 1 1 128 128 CYS H H 1 7.75 . . 1 . . . . . . . . 2031 1 811 . 1 1 128 128 CYS HA H 1 4.71 . . 1 . . . . . . . . 2031 1 812 . 1 1 128 128 CYS HB2 H 1 3.12 . . 2 . . . . . . . . 2031 1 813 . 1 1 128 128 CYS HB3 H 1 3.13 . . 2 . . . . . . . . 2031 1 814 . 1 1 128 128 CYS N N 15 115.6 . . 1 . . . . . . . . 2031 1 815 . 1 1 129 129 SER H H 1 7.97 . . 1 . . . . . . . . 2031 1 816 . 1 1 129 129 SER HA H 1 4.43 . . 1 . . . . . . . . 2031 1 817 . 1 1 129 129 SER HB2 H 1 3.63 . . 2 . . . . . . . . 2031 1 818 . 1 1 129 129 SER HB3 H 1 3.78 . . 2 . . . . . . . . 2031 1 819 . 1 1 129 129 SER N N 15 116.1 . . 1 . . . . . . . . 2031 1 820 . 1 1 130 130 SER H H 1 7.77 . . 1 . . . . . . . . 2031 1 821 . 1 1 130 130 SER HA H 1 4.26 . . 1 . . . . . . . . 2031 1 822 . 1 1 130 130 SER HB2 H 1 3.85 . . 1 . . . . . . . . 2031 1 823 . 1 1 130 130 SER HB3 H 1 3.85 . . 1 . . . . . . . . 2031 1 824 . 1 1 130 130 SER N N 15 123.3 . . 1 . . . . . . . . 2031 1 stop_ save_