data_5571 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5571 _Entry.Title ; 1H, 13C and 15N assignment of the oxidized form of flavodoxin from Desulfovibrio vulgaris (Hildenborough) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-29 _Entry.Accession_date 2002-10-29 _Entry.Last_release_date 2003-03-18 _Entry.Original_release_date 2003-03-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gary Yalloway . N. . 5571 2 Frank Lohr . . . 5571 3 Hans Wienk . L. . 5571 4 Stephen Mayhew . G. . 5571 5 Andrea Hrovat . . . 5571 6 Martin Knauf . A. . 5571 7 Heinz Ruterjans . . . 5571 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5571 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 968 5571 '13C chemical shifts' 657 5571 '15N chemical shifts' 175 5571 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-03-18 2002-10-29 original author . 5571 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5540 'reduced form.' 5571 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5571 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N assignment of the hydroquinone form of flavodoxin from Desulfovibrio vulgaris (Hildenborough) and comparison of the chemical shift differences with respect to the oxidized state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 3 _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 257 _Citation.Page_last 258 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gary Yalloway . N. . 5571 1 2 Frank Lohr . . . 5571 1 3 Hans Wienk . L. . 5571 1 4 Stephen Mayhew . G. . 5571 1 5 Andrea Hrovat . . . 5571 1 6 Martin Knauf . A. . 5571 1 7 Heinz Ruterjans . . . 5571 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 5571 1 hydroquinone 5571 1 flavodoxin 5571 1 'chemical shift differences' 5571 1 oxidized 5571 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_flavodoxin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_flavodoxin _Assembly.Entry_ID 5571 _Assembly.ID 1 _Assembly.Name 'flavodoxin monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Oxidation state.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5571 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'flavodoxin monomer' 1 $flavodoxin . . . native . . . . . 5571 1 2 '[1,3,5,10-15N4]flavin mononucleotide' 2 $FMN . . . native . . . . . 5571 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 5FX2 . . . . . . 5571 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'flavodoxin monomer' system 5571 1 flavodoxin abbreviation 5571 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_flavodoxin _Entity.Sf_category entity _Entity.Sf_framecode flavodoxin _Entity.Entry_ID 5571 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name flavodoxin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPKALIVYGSTTGNTEYTAE TIARELADAGYEVDSRDAAS VEAGGLFEGFDLVLLGCSTW GDDSIELQDDFIPLFDSLEE TGAQGRKVACFGCGDSSYEY FCGAVDAIEEKLKNLGAEIV QDGLRIDGDPRAARDDIVGW AHDVRGAI ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15724 . Flavodoxin . . . . . 99.32 147 100.00 100.00 2.60e-99 . . . . 5571 1 2 no BMRB 15725 . Flavodoxin . . . . . 99.32 147 100.00 100.00 2.60e-99 . . . . 5571 1 3 no BMRB 15904 . Flavodoxin . . . . . 99.32 147 100.00 100.00 2.60e-99 . . . . 5571 1 4 no BMRB 16579 . Flavodoxin . . . . . 99.32 147 100.00 100.00 2.60e-99 . . . . 5571 1 5 no BMRB 5540 . flavodoxin . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 6 no PDB 1AKQ . "D95a Oxidized Flavodoxin Mutant From D. Vulgaris" . . . . . 99.32 147 99.32 99.32 2.37e-98 . . . . 5571 1 7 no PDB 1AKR . "G61a Oxidized Flavodoxin Mutant" . . . . . 99.32 147 99.32 99.32 1.37e-98 . . . . 5571 1 8 no PDB 1AKT . "G61n Oxidized Flavodoxin Mutant" . . . . . 99.32 147 99.32 99.32 1.21e-98 . . . . 5571 1 9 no PDB 1AKU . "D95a Hydroquinone Flavodoxin Mutant From D. Vulgaris" . . . . . 99.32 147 99.32 99.32 2.37e-98 . . . . 5571 1 10 no PDB 1AKV . "D95a Semiquinone Flavodoxin Mutant From D. Vulgaris" . . . . . 99.32 147 99.32 99.32 2.37e-98 . . . . 5571 1 11 no PDB 1AKW . "G61l Oxidized Flavodoxin Mutant" . . . . . 99.32 147 99.32 99.32 5.48e-98 . . . . 5571 1 12 no PDB 1AZL . "G61v Flavodoxin Mutant From Desulfovibrio Vulgaris" . . . . . 99.32 147 99.32 99.32 3.14e-98 . . . . 5571 1 13 no PDB 1BU5 . "X-Ray Crystal Structure Of The Desulfovibrio Vulgaris (Hildenborough) Apoflavodoxin-Riboflavin Complex" . . . . . 99.32 147 100.00 100.00 2.60e-99 . . . . 5571 1 14 no PDB 1C7E . "D95e Hydroquinone Flavodoxin Mutant From D. Vulgaris" . . . . . 99.32 147 99.32 100.00 8.75e-99 . . . . 5571 1 15 no PDB 1C7F . "D95e Oxidized Flavodoxin Mutant From D. Vulgaris" . . . . . 99.32 147 99.32 100.00 8.75e-99 . . . . 5571 1 16 no PDB 1F4P . "Y98w Flavodoxin Mutant 1.5a (D. Vulgaris)" . . . . . 99.32 147 99.32 100.00 1.78e-98 . . . . 5571 1 17 no PDB 1FX1 . "A Crystallographic Structural Study Of The Oxidation States Of Desulfovibrio Vulgaris Flavodoxin" . . . . . 100.00 148 98.65 100.00 1.27e-99 . . . . 5571 1 18 no PDB 1I1O . "Room Temperature Crystal Structure Flavodoxin D. Vulgaris Mutant Y98h At 2.0 Ang. Resolution" . . . . . 98.65 147 99.32 100.00 1.53e-97 . . . . 5571 1 19 no PDB 1J8Q . "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris Wild-Type At 1.35 Angstrom Resolution" . . . . . 98.65 147 100.00 100.00 3.66e-98 . . . . 5571 1 20 no PDB 1J9E . "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris S35c Mutant At 1.44 Angstrom Resolution" . . . . . 98.65 147 99.32 99.32 3.33e-97 . . . . 5571 1 21 no PDB 1J9G . "Low Temperature (100k) Crystal Structure Of Flavodoxin D. Vulgaris S64c Mutant, Monomer Oxidised, At 2.4 Angstrom Resolution" . . . . . 98.65 147 99.32 99.32 3.33e-97 . . . . 5571 1 22 no PDB 1WSB . "Flavodoxin Mutant- S64c" . . . . . 100.00 148 98.65 98.65 3.08e-98 . . . . 5571 1 23 no PDB 1WSW . "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Dimer, Semiquinone State" . . . . . 100.00 148 98.65 98.65 3.08e-98 . . . . 5571 1 24 no PDB 1XT6 . "S35c Flavodoxin Mutant In The Semiquinone State" . . . . . 98.65 147 99.32 99.32 3.33e-97 . . . . 5571 1 25 no PDB 1XYV . "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Monomer, Semiquinone State" . . . . . 100.00 148 98.65 98.65 3.08e-98 . . . . 5571 1 26 no PDB 1XYY . "Low Temperature (100k) Crystal Structure Of Flavodoxin Mutant S64c, Homodimer, Oxidised State" . . . . . 100.00 148 98.65 98.65 3.08e-98 . . . . 5571 1 27 no PDB 2FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 98.65 147 100.00 100.00 3.66e-98 . . . . 5571 1 28 no PDB 3FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 98.65 147 100.00 100.00 3.66e-98 . . . . 5571 1 29 no PDB 4FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 98.65 147 100.00 100.00 3.66e-98 . . . . 5571 1 30 no PDB 5FX2 . "Comparison Of The Crystal Structures Of A Flavodoxin In Its Three Oxidation States At Cryogenic Temperatures" . . . . . 98.65 147 100.00 100.00 3.66e-98 . . . . 5571 1 31 no GB AAA23367 . "flavodoxin [Desulfovibrio vulgaris]" . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 32 no GB AAS97152 . "flavodoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 33 no GB ABM27599 . "flavodoxin [Desulfovibrio vulgaris DP4]" . . . . . 100.00 148 97.30 98.65 1.74e-98 . . . . 5571 1 34 no GB ADP87615 . "flavodoxin [Desulfovibrio vulgaris RCH1]" . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 35 no PRF 1501261A . flavodoxin . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 36 no PRF 1804236A . flavodoxin . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 37 no REF WP_010939949 . "flavodoxin [Desulfovibrio vulgaris]" . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 38 no REF WP_011791702 . "flavodoxin [Desulfovibrio vulgaris]" . . . . . 100.00 148 97.30 98.65 1.74e-98 . . . . 5571 1 39 no REF YP_005703253 . "flavodoxin [Desulfovibrio vulgaris RCH1]" . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 40 no REF YP_011892 . "flavodoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 41 no REF YP_966026 . "flavodoxin [Desulfovibrio vulgaris DP4]" . . . . . 100.00 148 97.30 98.65 1.74e-98 . . . . 5571 1 42 no SP P00323 . "RecName: Full=Flavodoxin [Desulfovibrio vulgaris str. Hildenborough]" . . . . . 100.00 148 100.00 100.00 2.43e-100 . . . . 5571 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID flavodoxin common 5571 1 Fld abbreviation 5571 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 . 5571 1 2 . PRO . 5571 1 3 . LYS . 5571 1 4 . ALA . 5571 1 5 . LEU . 5571 1 6 . ILE . 5571 1 7 . VAL . 5571 1 8 . TYR . 5571 1 9 . GLY . 5571 1 10 . SER . 5571 1 11 . THR . 5571 1 12 . THR . 5571 1 13 . GLY . 5571 1 14 . ASN . 5571 1 15 . THR . 5571 1 16 . GLU . 5571 1 17 . TYR . 5571 1 18 . THR . 5571 1 19 . ALA . 5571 1 20 . GLU . 5571 1 21 . THR . 5571 1 22 . ILE . 5571 1 23 . ALA . 5571 1 24 . ARG . 5571 1 25 . GLU . 5571 1 26 . LEU . 5571 1 27 . ALA . 5571 1 28 . ASP . 5571 1 29 . ALA . 5571 1 30 . GLY . 5571 1 31 . TYR . 5571 1 32 . GLU . 5571 1 33 . VAL . 5571 1 34 . ASP . 5571 1 35 . SER . 5571 1 36 . ARG . 5571 1 37 . ASP . 5571 1 38 . ALA . 5571 1 39 . ALA . 5571 1 40 . SER . 5571 1 41 . VAL . 5571 1 42 . GLU . 5571 1 43 . ALA . 5571 1 44 . GLY . 5571 1 45 . GLY . 5571 1 46 . LEU . 5571 1 47 . PHE . 5571 1 48 . GLU . 5571 1 49 . GLY . 5571 1 50 . PHE . 5571 1 51 . ASP . 5571 1 52 . LEU . 5571 1 53 . VAL . 5571 1 54 . LEU . 5571 1 55 . LEU . 5571 1 56 . GLY . 5571 1 57 . CYS . 5571 1 58 . SER . 5571 1 59 . THR . 5571 1 60 . TRP . 5571 1 61 . GLY . 5571 1 62 . ASP . 5571 1 63 . ASP . 5571 1 64 . SER . 5571 1 65 . ILE . 5571 1 66 . GLU . 5571 1 67 . LEU . 5571 1 68 . GLN . 5571 1 69 . ASP . 5571 1 70 . ASP . 5571 1 71 . PHE . 5571 1 72 . ILE . 5571 1 73 . PRO . 5571 1 74 . LEU . 5571 1 75 . PHE . 5571 1 76 . ASP . 5571 1 77 . SER . 5571 1 78 . LEU . 5571 1 79 . GLU . 5571 1 80 . GLU . 5571 1 81 . THR . 5571 1 82 . GLY . 5571 1 83 . ALA . 5571 1 84 . GLN . 5571 1 85 . GLY . 5571 1 86 . ARG . 5571 1 87 . LYS . 5571 1 88 . VAL . 5571 1 89 . ALA . 5571 1 90 . CYS . 5571 1 91 . PHE . 5571 1 92 . GLY . 5571 1 93 . CYS . 5571 1 94 . GLY . 5571 1 95 . ASP . 5571 1 96 . SER . 5571 1 97 . SER . 5571 1 98 . TYR . 5571 1 99 . GLU . 5571 1 100 . TYR . 5571 1 101 . PHE . 5571 1 102 . CYS . 5571 1 103 . GLY . 5571 1 104 . ALA . 5571 1 105 . VAL . 5571 1 106 . ASP . 5571 1 107 . ALA . 5571 1 108 . ILE . 5571 1 109 . GLU . 5571 1 110 . GLU . 5571 1 111 . LYS . 5571 1 112 . LEU . 5571 1 113 . LYS . 5571 1 114 . ASN . 5571 1 115 . LEU . 5571 1 116 . GLY . 5571 1 117 . ALA . 5571 1 118 . GLU . 5571 1 119 . ILE . 5571 1 120 . VAL . 5571 1 121 . GLN . 5571 1 122 . ASP . 5571 1 123 . GLY . 5571 1 124 . LEU . 5571 1 125 . ARG . 5571 1 126 . ILE . 5571 1 127 . ASP . 5571 1 128 . GLY . 5571 1 129 . ASP . 5571 1 130 . PRO . 5571 1 131 . ARG . 5571 1 132 . ALA . 5571 1 133 . ALA . 5571 1 134 . ARG . 5571 1 135 . ASP . 5571 1 136 . ASP . 5571 1 137 . ILE . 5571 1 138 . VAL . 5571 1 139 . GLY . 5571 1 140 . TRP . 5571 1 141 . ALA . 5571 1 142 . HIS . 5571 1 143 . ASP . 5571 1 144 . VAL . 5571 1 145 . ARG . 5571 1 146 . GLY . 5571 1 147 . ALA . 5571 1 148 . ILE . 5571 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 5571 1 . PRO 2 2 5571 1 . LYS 3 3 5571 1 . ALA 4 4 5571 1 . LEU 5 5 5571 1 . ILE 6 6 5571 1 . VAL 7 7 5571 1 . TYR 8 8 5571 1 . GLY 9 9 5571 1 . SER 10 10 5571 1 . THR 11 11 5571 1 . THR 12 12 5571 1 . GLY 13 13 5571 1 . ASN 14 14 5571 1 . THR 15 15 5571 1 . GLU 16 16 5571 1 . TYR 17 17 5571 1 . THR 18 18 5571 1 . ALA 19 19 5571 1 . GLU 20 20 5571 1 . THR 21 21 5571 1 . ILE 22 22 5571 1 . ALA 23 23 5571 1 . ARG 24 24 5571 1 . GLU 25 25 5571 1 . LEU 26 26 5571 1 . ALA 27 27 5571 1 . ASP 28 28 5571 1 . ALA 29 29 5571 1 . GLY 30 30 5571 1 . TYR 31 31 5571 1 . GLU 32 32 5571 1 . VAL 33 33 5571 1 . ASP 34 34 5571 1 . SER 35 35 5571 1 . ARG 36 36 5571 1 . ASP 37 37 5571 1 . ALA 38 38 5571 1 . ALA 39 39 5571 1 . SER 40 40 5571 1 . VAL 41 41 5571 1 . GLU 42 42 5571 1 . ALA 43 43 5571 1 . GLY 44 44 5571 1 . GLY 45 45 5571 1 . LEU 46 46 5571 1 . PHE 47 47 5571 1 . GLU 48 48 5571 1 . GLY 49 49 5571 1 . PHE 50 50 5571 1 . ASP 51 51 5571 1 . LEU 52 52 5571 1 . VAL 53 53 5571 1 . LEU 54 54 5571 1 . LEU 55 55 5571 1 . GLY 56 56 5571 1 . CYS 57 57 5571 1 . SER 58 58 5571 1 . THR 59 59 5571 1 . TRP 60 60 5571 1 . GLY 61 61 5571 1 . ASP 62 62 5571 1 . ASP 63 63 5571 1 . SER 64 64 5571 1 . ILE 65 65 5571 1 . GLU 66 66 5571 1 . LEU 67 67 5571 1 . GLN 68 68 5571 1 . ASP 69 69 5571 1 . ASP 70 70 5571 1 . PHE 71 71 5571 1 . ILE 72 72 5571 1 . PRO 73 73 5571 1 . LEU 74 74 5571 1 . PHE 75 75 5571 1 . ASP 76 76 5571 1 . SER 77 77 5571 1 . LEU 78 78 5571 1 . GLU 79 79 5571 1 . GLU 80 80 5571 1 . THR 81 81 5571 1 . GLY 82 82 5571 1 . ALA 83 83 5571 1 . GLN 84 84 5571 1 . GLY 85 85 5571 1 . ARG 86 86 5571 1 . LYS 87 87 5571 1 . VAL 88 88 5571 1 . ALA 89 89 5571 1 . CYS 90 90 5571 1 . PHE 91 91 5571 1 . GLY 92 92 5571 1 . CYS 93 93 5571 1 . GLY 94 94 5571 1 . ASP 95 95 5571 1 . SER 96 96 5571 1 . SER 97 97 5571 1 . TYR 98 98 5571 1 . GLU 99 99 5571 1 . TYR 100 100 5571 1 . PHE 101 101 5571 1 . CYS 102 102 5571 1 . GLY 103 103 5571 1 . ALA 104 104 5571 1 . VAL 105 105 5571 1 . ASP 106 106 5571 1 . ALA 107 107 5571 1 . ILE 108 108 5571 1 . GLU 109 109 5571 1 . GLU 110 110 5571 1 . LYS 111 111 5571 1 . LEU 112 112 5571 1 . LYS 113 113 5571 1 . ASN 114 114 5571 1 . LEU 115 115 5571 1 . GLY 116 116 5571 1 . ALA 117 117 5571 1 . GLU 118 118 5571 1 . ILE 119 119 5571 1 . VAL 120 120 5571 1 . GLN 121 121 5571 1 . ASP 122 122 5571 1 . GLY 123 123 5571 1 . LEU 124 124 5571 1 . ARG 125 125 5571 1 . ILE 126 126 5571 1 . ASP 127 127 5571 1 . GLY 128 128 5571 1 . ASP 129 129 5571 1 . PRO 130 130 5571 1 . ARG 131 131 5571 1 . ALA 132 132 5571 1 . ALA 133 133 5571 1 . ARG 134 134 5571 1 . ASP 135 135 5571 1 . ASP 136 136 5571 1 . ILE 137 137 5571 1 . VAL 138 138 5571 1 . GLY 139 139 5571 1 . TRP 140 140 5571 1 . ALA 141 141 5571 1 . HIS 142 142 5571 1 . ASP 143 143 5571 1 . VAL 144 144 5571 1 . ARG 145 145 5571 1 . GLY 146 146 5571 1 . ALA 147 147 5571 1 . ILE 148 148 5571 1 stop_ save_ save_FMN _Entity.Sf_category entity _Entity.Sf_framecode FMN _Entity.Entry_ID 5571 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FMN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . FMN . 5571 2 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 5571 _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 $flavodoxin . 882 organism . 'Desulfovibrio vulgaris' . . . Bacteria . Desulfovibrio vulgaris Hildenborough . . . . . . . . . . . . . pDKFl300 . . . . . . 5571 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 5571 _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 $flavodoxin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5571 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 5571 _Chem_comp.ID FMN _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue May 17 10:58:44 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 5571 FMN InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1/f/h20,27-28H InChI InChI 1.02b 5571 FMN FVTCRASFADXXNN-DDLGOASUDN InChIKey InChI 1.02b 5571 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 5571 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 5571 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5571 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 5571 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 5571 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5571 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 . N1 . . N . . N 0 . . . . yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 5571 FMN C2 . C2 . . C . . N 0 . . . . yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 5571 FMN O2 . O2 . . O . . N 0 . . . . no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 5571 FMN N3 . N3 . . N . . N 0 . . . . yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 5571 FMN C4 . C4 . . C . . N 0 . . . . yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 5571 FMN O4 . O4 . . O . . N 0 . . . . no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 5571 FMN C4A . C4A . . C . . N 0 . . . . yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 5571 FMN N5 . N5 . . N . . N 0 . . . . yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 5571 FMN C5A . C5A . . C . . N 0 . . . . yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 5571 FMN C6 . C6 . . C . . N 0 . . . . yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 5571 FMN C7 . C7 . . C . . N 0 . . . . yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 5571 FMN C7M . C7M . . C . . N 0 . . . . no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 5571 FMN C8 . C8 . . C . . N 0 . . . . yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 5571 FMN C8M . C8M . . C . . N 0 . . . . no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 5571 FMN C9 . C9 . . C . . N 0 . . . . yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 5571 FMN C9A . C9A . . C . . N 0 . . . . yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 5571 FMN N10 . N10 . . N . . N 0 . . . . yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 5571 FMN C10 . C10 . . C . . N 0 . . . . yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 5571 FMN C1' . C1' . . C . . N 0 . . . . no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 5571 FMN C2' . C2' . . C . . S 0 . . . . no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 5571 FMN O2' . O2' . . O . . N 0 . . . . no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 5571 FMN C3' . C3' . . C . . S 0 . . . . no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 5571 FMN O3' . O3' . . O . . N 0 . . . . no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 5571 FMN C4' . C4' . . C . . R 0 . . . . no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 5571 FMN O4' . O4' . . O . . N 0 . . . . no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 5571 FMN C5' . C5' . . C . . N 0 . . . . no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 5571 FMN O5' . O5' . . O . . N 0 . . . . no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 5571 FMN P . P . . P . . N 0 . . . . no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 5571 FMN O1P . O1P . . O . . N 0 . . . . no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 5571 FMN O2P . O2P . . O . . N 0 . . . . no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 5571 FMN O3P . O3P . . O . . N 0 . . . . no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 5571 FMN HN3 . HN3 . . H . . N 0 . . . . no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 5571 FMN H6 . H6 . . H . . N 0 . . . . no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 5571 FMN HM71 . HM71 . . H . . N 0 . . . . no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 5571 FMN HM72 . HM72 . . H . . N 0 . . . . no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 5571 FMN HM73 . HM73 . . H . . N 0 . . . . no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 5571 FMN HM81 . HM81 . . H . . N 0 . . . . no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 5571 FMN HM82 . HM82 . . H . . N 0 . . . . no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 5571 FMN HM83 . HM83 . . H . . N 0 . . . . no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 5571 FMN H9 . H9 . . H . . N 0 . . . . no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 5571 FMN H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 5571 FMN H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 5571 FMN H2' . H2' . . H . . N 0 . . . . no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 5571 FMN HO2' . HO2' . . H . . N 0 . . . . no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 5571 FMN H3' . H3' . . H . . N 0 . . . . no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 5571 FMN HO3' . HO3' . . H . . N 0 . . . . no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 5571 FMN H4' . H4' . . H . . N 0 . . . . no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 5571 FMN HO4' . HO4' . . H . . N 0 . . . . no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 5571 FMN H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 5571 FMN H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 5571 FMN HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 5571 FMN HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 5571 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 5571 FMN 2 . DOUB N1 C10 yes N 2 . 5571 FMN 3 . DOUB C2 O2 no N 3 . 5571 FMN 4 . SING C2 N3 yes N 4 . 5571 FMN 5 . SING N3 C4 yes N 5 . 5571 FMN 6 . SING N3 HN3 no N 6 . 5571 FMN 7 . DOUB C4 O4 no N 7 . 5571 FMN 8 . SING C4 C4A yes N 8 . 5571 FMN 9 . DOUB C4A N5 yes N 9 . 5571 FMN 10 . SING C4A C10 no N 10 . 5571 FMN 11 . SING N5 C5A yes N 11 . 5571 FMN 12 . DOUB C5A C6 yes N 12 . 5571 FMN 13 . SING C5A C9A yes N 13 . 5571 FMN 14 . SING C6 C7 yes N 14 . 5571 FMN 15 . SING C6 H6 no N 15 . 5571 FMN 16 . SING C7 C7M no N 16 . 5571 FMN 17 . DOUB C7 C8 yes N 17 . 5571 FMN 18 . SING C7M HM71 no N 18 . 5571 FMN 19 . SING C7M HM72 no N 19 . 5571 FMN 20 . SING C7M HM73 no N 20 . 5571 FMN 21 . SING C8 C8M no N 21 . 5571 FMN 22 . SING C8 C9 yes N 22 . 5571 FMN 23 . SING C8M HM81 no N 23 . 5571 FMN 24 . SING C8M HM82 no N 24 . 5571 FMN 25 . SING C8M HM83 no N 25 . 5571 FMN 26 . DOUB C9 C9A yes N 26 . 5571 FMN 27 . SING C9 H9 no N 27 . 5571 FMN 28 . SING C9A N10 yes N 28 . 5571 FMN 29 . SING N10 C10 yes N 29 . 5571 FMN 30 . SING N10 C1' no N 30 . 5571 FMN 31 . SING C1' C2' no N 31 . 5571 FMN 32 . SING C1' H1'1 no N 32 . 5571 FMN 33 . SING C1' H1'2 no N 33 . 5571 FMN 34 . SING C2' O2' no N 34 . 5571 FMN 35 . SING C2' C3' no N 35 . 5571 FMN 36 . SING C2' H2' no N 36 . 5571 FMN 37 . SING O2' HO2' no N 37 . 5571 FMN 38 . SING C3' O3' no N 38 . 5571 FMN 39 . SING C3' C4' no N 39 . 5571 FMN 40 . SING C3' H3' no N 40 . 5571 FMN 41 . SING O3' HO3' no N 41 . 5571 FMN 42 . SING C4' O4' no N 42 . 5571 FMN 43 . SING C4' C5' no N 43 . 5571 FMN 44 . SING C4' H4' no N 44 . 5571 FMN 45 . SING O4' HO4' no N 45 . 5571 FMN 46 . SING C5' O5' no N 46 . 5571 FMN 47 . SING C5' H5'1 no N 47 . 5571 FMN 48 . SING C5' H5'2 no N 48 . 5571 FMN 49 . SING O5' P no N 49 . 5571 FMN 50 . DOUB P O1P no N 50 . 5571 FMN 51 . SING P O2P no N 51 . 5571 FMN 52 . SING P O3P no N 52 . 5571 FMN 53 . SING O2P HOP2 no N 53 . 5571 FMN 54 . SING O3P HOP3 no N 54 . 5571 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5571 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 flavodoxin '[U-90% 13C; U-90% 15N]' . . 1 $flavodoxin . . . 2.5 5 mM . . . . 5571 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5571 _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 7.0 0.1 pH 5571 1 temperature 300 1 K 5571 1 stop_ save_ ############################ # Computer software used # ############################ save_Aurelia _Software.Sf_category software _Software.Sf_framecode Aurelia _Software.Entry_ID 5571 _Software.ID 1 _Software.Name Aurelia _Software.Version 2.7.5 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5571 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5571 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5571 _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 Bruker DRX . 600 . . . 5571 1 2 spectrometer_2 Bruker DMX . 500 . . . 5571 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 5571 _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 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5571 1 2 (HCA)CO(CA)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5571 1 3 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5571 1 4 (H)CC(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5571 1 5 H(CC)(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5571 1 6 TOCSY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5571 1 7 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5571 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5571 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5571 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5571 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5571 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name (H)CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5571 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name H(CC)(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5571 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5571 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Aurelia _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5571 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5571 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5571 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5571 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_CSR_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CSR_1 _Assigned_chem_shift_list.Entry_ID 5571 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HNCACB 1 $sample_1 . 5571 1 2 (HCA)CO(CA)NH 1 $sample_1 . 5571 1 3 HNCO 1 $sample_1 . 5571 1 4 (H)CC(CO)NH-TOCSY 1 $sample_1 . 5571 1 5 H(CC)(CO)NH-TOCSY 1 $sample_1 . 5571 1 6 TOCSY-HSQC 1 $sample_1 . 5571 1 7 '2D NOESY' 1 $sample_1 . 5571 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 2 2 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 5571 1 2 . 1 1 2 2 PRO HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5571 1 3 . 1 1 2 2 PRO HB3 H 1 1.23 0.02 . 2 . . . . . . . . 5571 1 4 . 1 1 2 2 PRO HG2 H 1 1.59 0.02 . 2 . . . . . . . . 5571 1 5 . 1 1 2 2 PRO HG3 H 1 1.11 0.02 . 2 . . . . . . . . 5571 1 6 . 1 1 2 2 PRO HD2 H 1 3.17 0.02 . 2 . . . . . . . . 5571 1 7 . 1 1 2 2 PRO HD3 H 1 2.55 0.02 . 2 . . . . . . . . 5571 1 8 . 1 1 2 2 PRO C C 13 172 0.1 . 1 . . . . . . . . 5571 1 9 . 1 1 2 2 PRO CA C 13 61.4 0.1 . 1 . . . . . . . . 5571 1 10 . 1 1 2 2 PRO CB C 13 32.6 0.1 . 1 . . . . . . . . 5571 1 11 . 1 1 2 2 PRO CG C 13 26.3 0.1 . 1 . . . . . . . . 5571 1 12 . 1 1 2 2 PRO CD C 13 49.3 0.1 . 1 . . . . . . . . 5571 1 13 . 1 1 2 2 PRO N N 15 53.2 0.1 . 1 . . . . . . . . 5571 1 14 . 1 1 3 3 LYS H H 1 10.19 0.02 . 1 . . . . . . . . 5571 1 15 . 1 1 3 3 LYS HA H 1 5.5 0.02 . 1 . . . . . . . . 5571 1 16 . 1 1 3 3 LYS HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5571 1 17 . 1 1 3 3 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5571 1 18 . 1 1 3 3 LYS HG2 H 1 1.55 0.02 . 2 . . . . . . . . 5571 1 19 . 1 1 3 3 LYS HG3 H 1 1.5 0.02 . 2 . . . . . . . . 5571 1 20 . 1 1 3 3 LYS HD2 H 1 1.57 0.02 . 2 . . . . . . . . 5571 1 21 . 1 1 3 3 LYS HD3 H 1 1.52 0.02 . 2 . . . . . . . . 5571 1 22 . 1 1 3 3 LYS HE2 H 1 2.69 0.02 . 1 . . . . . . . . 5571 1 23 . 1 1 3 3 LYS HE3 H 1 2.69 0.02 . 1 . . . . . . . . 5571 1 24 . 1 1 3 3 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 5571 1 25 . 1 1 3 3 LYS CA C 13 55.6 0.1 . 1 . . . . . . . . 5571 1 26 . 1 1 3 3 LYS CB C 13 36 0.1 . 1 . . . . . . . . 5571 1 27 . 1 1 3 3 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5571 1 28 . 1 1 3 3 LYS CD C 13 29.1 0.1 . 1 . . . . . . . . 5571 1 29 . 1 1 3 3 LYS CE C 13 41.3 0.1 . 1 . . . . . . . . 5571 1 30 . 1 1 3 3 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 5571 1 31 . 1 1 4 4 ALA H H 1 9.47 0.02 . 1 . . . . . . . . 5571 1 32 . 1 1 4 4 ALA HA H 1 6.04 0.02 . 1 . . . . . . . . 5571 1 33 . 1 1 4 4 ALA HB1 H 1 1.21 0.02 . 1 . . . . . . . . 5571 1 34 . 1 1 4 4 ALA HB2 H 1 1.21 0.02 . 1 . . . . . . . . 5571 1 35 . 1 1 4 4 ALA HB3 H 1 1.21 0.02 . 1 . . . . . . . . 5571 1 36 . 1 1 4 4 ALA C C 13 173.8 0.1 . 1 . . . . . . . . 5571 1 37 . 1 1 4 4 ALA CA C 13 49.6 0.1 . 1 . . . . . . . . 5571 1 38 . 1 1 4 4 ALA CB C 13 22.9 0.1 . 1 . . . . . . . . 5571 1 39 . 1 1 4 4 ALA N N 15 126.7 0.1 . 1 . . . . . . . . 5571 1 40 . 1 1 5 5 LEU H H 1 8.15 0.02 . 1 . . . . . . . . 5571 1 41 . 1 1 5 5 LEU HA H 1 4.97 0.02 . 1 . . . . . . . . 5571 1 42 . 1 1 5 5 LEU HB2 H 1 0.89 0.02 . 2 . . . . . . . . 5571 1 43 . 1 1 5 5 LEU HB3 H 1 -0.85 0.02 . 2 . . . . . . . . 5571 1 44 . 1 1 5 5 LEU HG H 1 1.04 0.02 . 1 . . . . . . . . 5571 1 45 . 1 1 5 5 LEU HD11 H 1 0.59 0.02 . 2 . . . . . . . . 5571 1 46 . 1 1 5 5 LEU HD12 H 1 0.59 0.02 . 2 . . . . . . . . 5571 1 47 . 1 1 5 5 LEU HD13 H 1 0.59 0.02 . 2 . . . . . . . . 5571 1 48 . 1 1 5 5 LEU HD21 H 1 0.5 0.02 . 2 . . . . . . . . 5571 1 49 . 1 1 5 5 LEU HD22 H 1 0.5 0.02 . 2 . . . . . . . . 5571 1 50 . 1 1 5 5 LEU HD23 H 1 0.5 0.02 . 2 . . . . . . . . 5571 1 51 . 1 1 5 5 LEU C C 13 174.6 0.1 . 1 . . . . . . . . 5571 1 52 . 1 1 5 5 LEU CA C 13 52.6 0.1 . 1 . . . . . . . . 5571 1 53 . 1 1 5 5 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 5571 1 54 . 1 1 5 5 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 5571 1 55 . 1 1 5 5 LEU CD1 C 13 27 0.1 . 2 . . . . . . . . 5571 1 56 . 1 1 5 5 LEU CD2 C 13 21.1 0.1 . 2 . . . . . . . . 5571 1 57 . 1 1 5 5 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 5571 1 58 . 1 1 6 6 ILE H H 1 9.15 0.02 . 1 . . . . . . . . 5571 1 59 . 1 1 6 6 ILE HA H 1 5.39 0.02 . 1 . . . . . . . . 5571 1 60 . 1 1 6 6 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 5571 1 61 . 1 1 6 6 ILE HG12 H 1 1.52 0.02 . 2 . . . . . . . . 5571 1 62 . 1 1 6 6 ILE HG13 H 1 1.04 0.02 . 2 . . . . . . . . 5571 1 63 . 1 1 6 6 ILE HG21 H 1 1.1 0.02 . 1 . . . . . . . . 5571 1 64 . 1 1 6 6 ILE HG22 H 1 1.1 0.02 . 1 . . . . . . . . 5571 1 65 . 1 1 6 6 ILE HG23 H 1 1.1 0.02 . 1 . . . . . . . . 5571 1 66 . 1 1 6 6 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5571 1 67 . 1 1 6 6 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5571 1 68 . 1 1 6 6 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5571 1 69 . 1 1 6 6 ILE C C 13 174.8 0.1 . 1 . . . . . . . . 5571 1 70 . 1 1 6 6 ILE CA C 13 59.6 0.1 . 1 . . . . . . . . 5571 1 71 . 1 1 6 6 ILE CB C 13 40.4 0.1 . 1 . . . . . . . . 5571 1 72 . 1 1 6 6 ILE CG1 C 13 27.6 0.1 . 2 . . . . . . . . 5571 1 73 . 1 1 6 6 ILE CG2 C 13 17.9 0.1 . 2 . . . . . . . . 5571 1 74 . 1 1 6 6 ILE CD1 C 13 14.7 0.1 . 1 . . . . . . . . 5571 1 75 . 1 1 6 6 ILE N N 15 125.8 0.1 . 1 . . . . . . . . 5571 1 76 . 1 1 7 7 VAL H H 1 8.78 0.02 . 1 . . . . . . . . 5571 1 77 . 1 1 7 7 VAL HA H 1 5.57 0.02 . 1 . . . . . . . . 5571 1 78 . 1 1 7 7 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 5571 1 79 . 1 1 7 7 VAL HG11 H 1 0.72 0.02 . 2 . . . . . . . . 5571 1 80 . 1 1 7 7 VAL HG12 H 1 0.72 0.02 . 2 . . . . . . . . 5571 1 81 . 1 1 7 7 VAL HG13 H 1 0.72 0.02 . 2 . . . . . . . . 5571 1 82 . 1 1 7 7 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 5571 1 83 . 1 1 7 7 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 5571 1 84 . 1 1 7 7 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 5571 1 85 . 1 1 7 7 VAL C C 13 174.9 0.1 . 1 . . . . . . . . 5571 1 86 . 1 1 7 7 VAL CA C 13 59.9 0.1 . 1 . . . . . . . . 5571 1 87 . 1 1 7 7 VAL CB C 13 34.1 0.1 . 1 . . . . . . . . 5571 1 88 . 1 1 7 7 VAL CG1 C 13 21.5 0.1 . 2 . . . . . . . . 5571 1 89 . 1 1 7 7 VAL CG2 C 13 21.1 0.1 . 2 . . . . . . . . 5571 1 90 . 1 1 7 7 VAL N N 15 125.4 0.1 . 1 . . . . . . . . 5571 1 91 . 1 1 8 8 TYR H H 1 7.82 0.02 . 1 . . . . . . . . 5571 1 92 . 1 1 8 8 TYR HA H 1 6.31 0.02 . 1 . . . . . . . . 5571 1 93 . 1 1 8 8 TYR HB2 H 1 2.55 0.02 . 1 . . . . . . . . 5571 1 94 . 1 1 8 8 TYR HB3 H 1 2.55 0.02 . 1 . . . . . . . . 5571 1 95 . 1 1 8 8 TYR HD1 H 1 6.57 0.02 . 1 . . . . . . . . 5571 1 96 . 1 1 8 8 TYR HE1 H 1 6.72 0.02 . 1 . . . . . . . . 5571 1 97 . 1 1 8 8 TYR C C 13 172.8 0.1 . 1 . . . . . . . . 5571 1 98 . 1 1 8 8 TYR CA C 13 53.8 0.1 . 1 . . . . . . . . 5571 1 99 . 1 1 8 8 TYR CB C 13 41.9 0.1 . 1 . . . . . . . . 5571 1 100 . 1 1 8 8 TYR CG C 13 127.4 0.1 . 1 . . . . . . . . 5571 1 101 . 1 1 8 8 TYR CD1 C 13 133.4 0.1 . 1 . . . . . . . . 5571 1 102 . 1 1 8 8 TYR CE1 C 13 118 0.1 . 1 . . . . . . . . 5571 1 103 . 1 1 8 8 TYR CZ C 13 160.6 0.1 . 1 . . . . . . . . 5571 1 104 . 1 1 8 8 TYR N N 15 120.6 0.1 . 1 . . . . . . . . 5571 1 105 . 1 1 9 9 GLY H H 1 8.4 0.02 . 1 . . . . . . . . 5571 1 106 . 1 1 9 9 GLY HA2 H 1 5.06 0.02 . 2 . . . . . . . . 5571 1 107 . 1 1 9 9 GLY HA3 H 1 3.56 0.02 . 2 . . . . . . . . 5571 1 108 . 1 1 9 9 GLY C C 13 172.6 0.1 . 1 . . . . . . . . 5571 1 109 . 1 1 9 9 GLY CA C 13 44.9 0.1 . 1 . . . . . . . . 5571 1 110 . 1 1 9 9 GLY N N 15 110 0.1 . 1 . . . . . . . . 5571 1 111 . 1 1 10 10 SER H H 1 9.25 0.02 . 1 . . . . . . . . 5571 1 112 . 1 1 10 10 SER HA H 1 5.28 0.02 . 1 . . . . . . . . 5571 1 113 . 1 1 10 10 SER HB2 H 1 3.99 0.02 . 2 . . . . . . . . 5571 1 114 . 1 1 10 10 SER HB3 H 1 3.51 0.02 . 2 . . . . . . . . 5571 1 115 . 1 1 10 10 SER HG H 1 7.75 0.02 . 1 . . . . . . . . 5571 1 116 . 1 1 10 10 SER C C 13 174.1 0.1 . 1 . . . . . . . . 5571 1 117 . 1 1 10 10 SER CA C 13 56.9 0.1 . 1 . . . . . . . . 5571 1 118 . 1 1 10 10 SER CB C 13 67.1 0.1 . 1 . . . . . . . . 5571 1 119 . 1 1 10 10 SER N N 15 118 0.1 . 1 . . . . . . . . 5571 1 120 . 1 1 11 11 THR H H 1 11.63 0.02 . 1 . . . . . . . . 5571 1 121 . 1 1 11 11 THR HA H 1 4.41 0.02 . 1 . . . . . . . . 5571 1 122 . 1 1 11 11 THR HB H 1 4.34 0.02 . 1 . . . . . . . . 5571 1 123 . 1 1 11 11 THR HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5571 1 124 . 1 1 11 11 THR HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5571 1 125 . 1 1 11 11 THR HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5571 1 126 . 1 1 11 11 THR C C 13 175.5 0.1 . 1 . . . . . . . . 5571 1 127 . 1 1 11 11 THR CA C 13 65.4 0.1 . 1 . . . . . . . . 5571 1 128 . 1 1 11 11 THR CB C 13 69.6 0.1 . 1 . . . . . . . . 5571 1 129 . 1 1 11 11 THR CG2 C 13 22.4 0.1 . 1 . . . . . . . . 5571 1 130 . 1 1 11 11 THR N N 15 131.4 0.1 . 1 . . . . . . . . 5571 1 131 . 1 1 12 12 THR H H 1 9.62 0.02 . 1 . . . . . . . . 5571 1 132 . 1 1 12 12 THR HA H 1 4.89 0.02 . 1 . . . . . . . . 5571 1 133 . 1 1 12 12 THR HB H 1 4.66 0.02 . 1 . . . . . . . . 5571 1 134 . 1 1 12 12 THR HG1 H 1 8.38 0.02 . 2 . . . . . . . . 5571 1 135 . 1 1 12 12 THR HG21 H 1 1.46 0.02 . 1 . . . . . . . . 5571 1 136 . 1 1 12 12 THR HG22 H 1 1.46 0.02 . 1 . . . . . . . . 5571 1 137 . 1 1 12 12 THR HG23 H 1 1.46 0.02 . 1 . . . . . . . . 5571 1 138 . 1 1 12 12 THR C C 13 174.9 0.1 . 1 . . . . . . . . 5571 1 139 . 1 1 12 12 THR CA C 13 60.4 0.1 . 1 . . . . . . . . 5571 1 140 . 1 1 12 12 THR CB C 13 68.9 0.1 . 1 . . . . . . . . 5571 1 141 . 1 1 12 12 THR CG2 C 13 23 0.1 . 1 . . . . . . . . 5571 1 142 . 1 1 12 12 THR N N 15 114.2 0.1 . 1 . . . . . . . . 5571 1 143 . 1 1 13 13 GLY H H 1 7.58 0.02 . 1 . . . . . . . . 5571 1 144 . 1 1 13 13 GLY HA2 H 1 4.54 0.02 . 2 . . . . . . . . 5571 1 145 . 1 1 13 13 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 5571 1 146 . 1 1 13 13 GLY C C 13 177.1 0.1 . 1 . . . . . . . . 5571 1 147 . 1 1 13 13 GLY CA C 13 45.8 0.1 . 1 . . . . . . . . 5571 1 148 . 1 1 13 13 GLY N N 15 110 0.1 . 1 . . . . . . . . 5571 1 149 . 1 1 14 14 ASN H H 1 9.81 0.02 . 1 . . . . . . . . 5571 1 150 . 1 1 14 14 ASN HA H 1 4.79 0.02 . 1 . . . . . . . . 5571 1 151 . 1 1 14 14 ASN HB2 H 1 3.51 0.02 . 2 . . . . . . . . 5571 1 152 . 1 1 14 14 ASN HB3 H 1 3 0.02 . 2 . . . . . . . . 5571 1 153 . 1 1 14 14 ASN HD21 H 1 8.85 0.02 . 2 . . . . . . . . 5571 1 154 . 1 1 14 14 ASN HD22 H 1 6.85 0.02 . 2 . . . . . . . . 5571 1 155 . 1 1 14 14 ASN C C 13 179 0.1 . 1 . . . . . . . . 5571 1 156 . 1 1 14 14 ASN CA C 13 57.1 0.1 . 1 . . . . . . . . 5571 1 157 . 1 1 14 14 ASN CB C 13 35.8 0.1 . 1 . . . . . . . . 5571 1 158 . 1 1 14 14 ASN CG C 13 175.2 0.1 . 1 . . . . . . . . 5571 1 159 . 1 1 14 14 ASN N N 15 127.8 0.1 . 1 . . . . . . . . 5571 1 160 . 1 1 14 14 ASN ND2 N 15 114.7 0.1 . 1 . . . . . . . . 5571 1 161 . 1 1 15 15 THR H H 1 11.99 0.02 . 1 . . . . . . . . 5571 1 162 . 1 1 15 15 THR HA H 1 3.82 0.02 . 1 . . . . . . . . 5571 1 163 . 1 1 15 15 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5571 1 164 . 1 1 15 15 THR HG1 H 1 6.34 0.02 . 2 . . . . . . . . 5571 1 165 . 1 1 15 15 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 5571 1 166 . 1 1 15 15 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 5571 1 167 . 1 1 15 15 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 5571 1 168 . 1 1 15 15 THR C C 13 176.4 0.1 . 1 . . . . . . . . 5571 1 169 . 1 1 15 15 THR CA C 13 68 0.1 . 1 . . . . . . . . 5571 1 170 . 1 1 15 15 THR CB C 13 66.9 0.1 . 1 . . . . . . . . 5571 1 171 . 1 1 15 15 THR CG2 C 13 22.7 0.1 . 1 . . . . . . . . 5571 1 172 . 1 1 15 15 THR N N 15 127.7 0.1 . 1 . . . . . . . . 5571 1 173 . 1 1 16 16 GLU H H 1 7.26 0.02 . 1 . . . . . . . . 5571 1 174 . 1 1 16 16 GLU HA H 1 2.94 0.02 . 1 . . . . . . . . 5571 1 175 . 1 1 16 16 GLU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5571 1 176 . 1 1 16 16 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5571 1 177 . 1 1 16 16 GLU HG2 H 1 1.95 0.02 . 2 . . . . . . . . 5571 1 178 . 1 1 16 16 GLU HG3 H 1 1.91 0.02 . 2 . . . . . . . . 5571 1 179 . 1 1 16 16 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 5571 1 180 . 1 1 16 16 GLU CA C 13 59.8 0.1 . 1 . . . . . . . . 5571 1 181 . 1 1 16 16 GLU CB C 13 29.2 0.1 . 1 . . . . . . . . 5571 1 182 . 1 1 16 16 GLU CG C 13 35.4 0.1 . 1 . . . . . . . . 5571 1 183 . 1 1 16 16 GLU N N 15 121.6 0.1 . 1 . . . . . . . . 5571 1 184 . 1 1 17 17 TYR H H 1 8.19 0.02 . 1 . . . . . . . . 5571 1 185 . 1 1 17 17 TYR HA H 1 4.1 0.02 . 1 . . . . . . . . 5571 1 186 . 1 1 17 17 TYR HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5571 1 187 . 1 1 17 17 TYR HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5571 1 188 . 1 1 17 17 TYR HD1 H 1 6.87 0.02 . 1 . . . . . . . . 5571 1 189 . 1 1 17 17 TYR HE1 H 1 6.52 0.02 . 1 . . . . . . . . 5571 1 190 . 1 1 17 17 TYR C C 13 179.2 0.1 . 1 . . . . . . . . 5571 1 191 . 1 1 17 17 TYR CA C 13 61.3 0.1 . 1 . . . . . . . . 5571 1 192 . 1 1 17 17 TYR CB C 13 37.5 0.1 . 1 . . . . . . . . 5571 1 193 . 1 1 17 17 TYR CG C 13 129.3 0.1 . 1 . . . . . . . . 5571 1 194 . 1 1 17 17 TYR CD1 C 13 132.7 0.1 . 1 . . . . . . . . 5571 1 195 . 1 1 17 17 TYR CE1 C 13 118.4 0.1 . 1 . . . . . . . . 5571 1 196 . 1 1 17 17 TYR CZ C 13 160.3 0.1 . 1 . . . . . . . . 5571 1 197 . 1 1 17 17 TYR N N 15 121 0.1 . 1 . . . . . . . . 5571 1 198 . 1 1 18 18 THR H H 1 8.04 0.02 . 1 . . . . . . . . 5571 1 199 . 1 1 18 18 THR HA H 1 3.3 0.02 . 1 . . . . . . . . 5571 1 200 . 1 1 18 18 THR HB H 1 4.35 0.02 . 1 . . . . . . . . 5571 1 201 . 1 1 18 18 THR HG1 H 1 0.87 0.02 . 2 . . . . . . . . 5571 1 202 . 1 1 18 18 THR HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5571 1 203 . 1 1 18 18 THR HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5571 1 204 . 1 1 18 18 THR HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5571 1 205 . 1 1 18 18 THR C C 13 174.6 0.1 . 1 . . . . . . . . 5571 1 206 . 1 1 18 18 THR CA C 13 68.1 0.1 . 1 . . . . . . . . 5571 1 207 . 1 1 18 18 THR CB C 13 67.6 0.1 . 1 . . . . . . . . 5571 1 208 . 1 1 18 18 THR CG2 C 13 21.9 0.1 . 1 . . . . . . . . 5571 1 209 . 1 1 18 18 THR N N 15 120 0.1 . 1 . . . . . . . . 5571 1 210 . 1 1 19 19 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 5571 1 211 . 1 1 19 19 ALA HA H 1 3.44 0.02 . 1 . . . . . . . . 5571 1 212 . 1 1 19 19 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 5571 1 213 . 1 1 19 19 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 5571 1 214 . 1 1 19 19 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 5571 1 215 . 1 1 19 19 ALA C C 13 178.4 0.1 . 1 . . . . . . . . 5571 1 216 . 1 1 19 19 ALA CA C 13 55.4 0.1 . 1 . . . . . . . . 5571 1 217 . 1 1 19 19 ALA CB C 13 19 0.1 . 1 . . . . . . . . 5571 1 218 . 1 1 19 19 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 5571 1 219 . 1 1 20 20 GLU H H 1 8.1 0.02 . 1 . . . . . . . . 5571 1 220 . 1 1 20 20 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 5571 1 221 . 1 1 20 20 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5571 1 222 . 1 1 20 20 GLU HB3 H 1 1.83 0.02 . 2 . . . . . . . . 5571 1 223 . 1 1 20 20 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 5571 1 224 . 1 1 20 20 GLU HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5571 1 225 . 1 1 20 20 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 5571 1 226 . 1 1 20 20 GLU CA C 13 59 0.1 . 1 . . . . . . . . 5571 1 227 . 1 1 20 20 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5571 1 228 . 1 1 20 20 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5571 1 229 . 1 1 20 20 GLU CD C 13 182.7 0.1 . 1 . . . . . . . . 5571 1 230 . 1 1 20 20 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 5571 1 231 . 1 1 21 21 THR H H 1 7.69 0.02 . 1 . . . . . . . . 5571 1 232 . 1 1 21 21 THR HA H 1 3.61 0.02 . 1 . . . . . . . . 5571 1 233 . 1 1 21 21 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 5571 1 234 . 1 1 21 21 THR HG1 H 1 0.34 0.02 . 2 . . . . . . . . 5571 1 235 . 1 1 21 21 THR HG21 H 1 0.99 0.02 . 1 . . . . . . . . 5571 1 236 . 1 1 21 21 THR HG22 H 1 0.99 0.02 . 1 . . . . . . . . 5571 1 237 . 1 1 21 21 THR HG23 H 1 0.99 0.02 . 1 . . . . . . . . 5571 1 238 . 1 1 21 21 THR C C 13 176.6 0.1 . 1 . . . . . . . . 5571 1 239 . 1 1 21 21 THR CA C 13 66.7 0.1 . 1 . . . . . . . . 5571 1 240 . 1 1 21 21 THR CB C 13 67.9 0.1 . 1 . . . . . . . . 5571 1 241 . 1 1 21 21 THR CG2 C 13 21.1 0.1 . 1 . . . . . . . . 5571 1 242 . 1 1 21 21 THR N N 15 117.9 0.1 . 1 . . . . . . . . 5571 1 243 . 1 1 22 22 ILE H H 1 7.85 0.02 . 1 . . . . . . . . 5571 1 244 . 1 1 22 22 ILE HA H 1 3.1 0.02 . 1 . . . . . . . . 5571 1 245 . 1 1 22 22 ILE HB H 1 1.41 0.02 . 1 . . . . . . . . 5571 1 246 . 1 1 22 22 ILE HG12 H 1 1.47 0.02 . 2 . . . . . . . . 5571 1 247 . 1 1 22 22 ILE HG13 H 1 0.47 0.02 . 2 . . . . . . . . 5571 1 248 . 1 1 22 22 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 5571 1 249 . 1 1 22 22 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 5571 1 250 . 1 1 22 22 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 5571 1 251 . 1 1 22 22 ILE HD11 H 1 -0.27 0.02 . 1 . . . . . . . . 5571 1 252 . 1 1 22 22 ILE HD12 H 1 -0.27 0.02 . 1 . . . . . . . . 5571 1 253 . 1 1 22 22 ILE HD13 H 1 -0.27 0.02 . 1 . . . . . . . . 5571 1 254 . 1 1 22 22 ILE C C 13 177.1 0.1 . 1 . . . . . . . . 5571 1 255 . 1 1 22 22 ILE CA C 13 66.1 0.1 . 1 . . . . . . . . 5571 1 256 . 1 1 22 22 ILE CB C 13 38.1 0.1 . 1 . . . . . . . . 5571 1 257 . 1 1 22 22 ILE CG1 C 13 29.8 0.1 . 1 . . . . . . . . 5571 1 258 . 1 1 22 22 ILE CG2 C 13 17.6 0.1 . 1 . . . . . . . . 5571 1 259 . 1 1 22 22 ILE CD1 C 13 13.3 0.1 . 1 . . . . . . . . 5571 1 260 . 1 1 22 22 ILE N N 15 122.4 0.1 . 1 . . . . . . . . 5571 1 261 . 1 1 23 23 ALA H H 1 8.68 0.02 . 1 . . . . . . . . 5571 1 262 . 1 1 23 23 ALA HA H 1 3.61 0.02 . 1 . . . . . . . . 5571 1 263 . 1 1 23 23 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 264 . 1 1 23 23 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 265 . 1 1 23 23 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 266 . 1 1 23 23 ALA C C 13 179.4 0.1 . 1 . . . . . . . . 5571 1 267 . 1 1 23 23 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 5571 1 268 . 1 1 23 23 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . 5571 1 269 . 1 1 23 23 ALA N N 15 120.8 0.1 . 1 . . . . . . . . 5571 1 270 . 1 1 24 24 ARG H H 1 7.63 0.02 . 1 . . . . . . . . 5571 1 271 . 1 1 24 24 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 5571 1 272 . 1 1 24 24 ARG HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5571 1 273 . 1 1 24 24 ARG HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5571 1 274 . 1 1 24 24 ARG HG2 H 1 1.7 0.02 . 1 . . . . . . . . 5571 1 275 . 1 1 24 24 ARG HG3 H 1 1.7 0.02 . 1 . . . . . . . . 5571 1 276 . 1 1 24 24 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 5571 1 277 . 1 1 24 24 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 5571 1 278 . 1 1 24 24 ARG HE H 1 7.43 0.02 . 1 . . . . . . . . 5571 1 279 . 1 1 24 24 ARG HH11 H 1 6.91 0.02 . 2 . . . . . . . . 5571 1 280 . 1 1 24 24 ARG HH12 H 1 6.47 0.02 . 2 . . . . . . . . 5571 1 281 . 1 1 24 24 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 5571 1 282 . 1 1 24 24 ARG CA C 13 58.8 0.1 . 1 . . . . . . . . 5571 1 283 . 1 1 24 24 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 5571 1 284 . 1 1 24 24 ARG CG C 13 26.9 0.1 . 1 . . . . . . . . 5571 1 285 . 1 1 24 24 ARG CD C 13 42.9 0.1 . 1 . . . . . . . . 5571 1 286 . 1 1 24 24 ARG N N 15 116.8 0.1 . 1 . . . . . . . . 5571 1 287 . 1 1 24 24 ARG NE N 15 85.9 0.1 . 1 . . . . . . . . 5571 1 288 . 1 1 24 24 ARG NH1 N 15 72 0.1 . 2 . . . . . . . . 5571 1 289 . 1 1 24 24 ARG NH2 N 15 70 0.1 . 2 . . . . . . . . 5571 1 290 . 1 1 25 25 GLU H H 1 7.31 0.02 . 1 . . . . . . . . 5571 1 291 . 1 1 25 25 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 5571 1 292 . 1 1 25 25 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5571 1 293 . 1 1 25 25 GLU HB3 H 1 1.93 0.02 . 2 . . . . . . . . 5571 1 294 . 1 1 25 25 GLU HG2 H 1 2.5 0.02 . 2 . . . . . . . . 5571 1 295 . 1 1 25 25 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 5571 1 296 . 1 1 25 25 GLU C C 13 180 0.1 . 1 . . . . . . . . 5571 1 297 . 1 1 25 25 GLU CA C 13 58.5 0.1 . 1 . . . . . . . . 5571 1 298 . 1 1 25 25 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5571 1 299 . 1 1 25 25 GLU CG C 13 37.1 0.1 . 1 . . . . . . . . 5571 1 300 . 1 1 25 25 GLU CD C 13 181 0.1 . 1 . . . . . . . . 5571 1 301 . 1 1 25 25 GLU N N 15 117.8 0.1 . 1 . . . . . . . . 5571 1 302 . 1 1 26 26 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 5571 1 303 . 1 1 26 26 LEU HA H 1 3.69 0.02 . 1 . . . . . . . . 5571 1 304 . 1 1 26 26 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5571 1 305 . 1 1 26 26 LEU HB3 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 306 . 1 1 26 26 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 307 . 1 1 26 26 LEU HD11 H 1 0.38 0.02 . 2 . . . . . . . . 5571 1 308 . 1 1 26 26 LEU HD12 H 1 0.38 0.02 . 2 . . . . . . . . 5571 1 309 . 1 1 26 26 LEU HD13 H 1 0.38 0.02 . 2 . . . . . . . . 5571 1 310 . 1 1 26 26 LEU HD21 H 1 0.09 0.02 . 2 . . . . . . . . 5571 1 311 . 1 1 26 26 LEU HD22 H 1 0.09 0.02 . 2 . . . . . . . . 5571 1 312 . 1 1 26 26 LEU HD23 H 1 0.09 0.02 . 2 . . . . . . . . 5571 1 313 . 1 1 26 26 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5571 1 314 . 1 1 26 26 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 5571 1 315 . 1 1 26 26 LEU CB C 13 40.5 0.1 . 1 . . . . . . . . 5571 1 316 . 1 1 26 26 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 5571 1 317 . 1 1 26 26 LEU CD1 C 13 25.4 0.1 . 2 . . . . . . . . 5571 1 318 . 1 1 26 26 LEU CD2 C 13 22.6 0.1 . 2 . . . . . . . . 5571 1 319 . 1 1 26 26 LEU N N 15 118.3 0.1 . 1 . . . . . . . . 5571 1 320 . 1 1 27 27 ALA H H 1 8.63 0.02 . 1 . . . . . . . . 5571 1 321 . 1 1 27 27 ALA HA H 1 4.71 0.02 . 1 . . . . . . . . 5571 1 322 . 1 1 27 27 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5571 1 323 . 1 1 27 27 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5571 1 324 . 1 1 27 27 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5571 1 325 . 1 1 27 27 ALA C C 13 182.5 0.1 . 1 . . . . . . . . 5571 1 326 . 1 1 27 27 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5571 1 327 . 1 1 27 27 ALA CB C 13 17.8 0.1 . 1 . . . . . . . . 5571 1 328 . 1 1 27 27 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 5571 1 329 . 1 1 28 28 ASP H H 1 8.3 0.02 . 1 . . . . . . . . 5571 1 330 . 1 1 28 28 ASP HA H 1 4.5 0.02 . 1 . . . . . . . . 5571 1 331 . 1 1 28 28 ASP HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5571 1 332 . 1 1 28 28 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5571 1 333 . 1 1 28 28 ASP C C 13 177.2 0.1 . 1 . . . . . . . . 5571 1 334 . 1 1 28 28 ASP CA C 13 56.7 0.1 . 1 . . . . . . . . 5571 1 335 . 1 1 28 28 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5571 1 336 . 1 1 28 28 ASP CG C 13 181 0.1 . 1 . . . . . . . . 5571 1 337 . 1 1 28 28 ASP N N 15 120.5 0.1 . 1 . . . . . . . . 5571 1 338 . 1 1 29 29 ALA H H 1 7.35 0.02 . 1 . . . . . . . . 5571 1 339 . 1 1 29 29 ALA HA H 1 4.55 0.02 . 1 . . . . . . . . 5571 1 340 . 1 1 29 29 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 5571 1 341 . 1 1 29 29 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5571 1 342 . 1 1 29 29 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5571 1 343 . 1 1 29 29 ALA C C 13 177.4 0.1 . 1 . . . . . . . . 5571 1 344 . 1 1 29 29 ALA CA C 13 51.5 0.1 . 1 . . . . . . . . 5571 1 345 . 1 1 29 29 ALA CB C 13 18.5 0.1 . 1 . . . . . . . . 5571 1 346 . 1 1 29 29 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5571 1 347 . 1 1 30 30 GLY H H 1 7.96 0.02 . 1 . . . . . . . . 5571 1 348 . 1 1 30 30 GLY HA2 H 1 4.37 0.02 . 2 . . . . . . . . 5571 1 349 . 1 1 30 30 GLY HA3 H 1 3.8 0.02 . 2 . . . . . . . . 5571 1 350 . 1 1 30 30 GLY C C 13 175.4 0.1 . 1 . . . . . . . . 5571 1 351 . 1 1 30 30 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5571 1 352 . 1 1 30 30 GLY N N 15 105.7 0.1 . 1 . . . . . . . . 5571 1 353 . 1 1 31 31 TYR H H 1 8.17 0.02 . 1 . . . . . . . . 5571 1 354 . 1 1 31 31 TYR HA H 1 4.43 0.02 . 1 . . . . . . . . 5571 1 355 . 1 1 31 31 TYR HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5571 1 356 . 1 1 31 31 TYR HB3 H 1 2.43 0.02 . 2 . . . . . . . . 5571 1 357 . 1 1 31 31 TYR HD1 H 1 6.89 0.02 . 1 . . . . . . . . 5571 1 358 . 1 1 31 31 TYR HE1 H 1 6.6 0.02 . 1 . . . . . . . . 5571 1 359 . 1 1 31 31 TYR C C 13 176.5 0.1 . 1 . . . . . . . . 5571 1 360 . 1 1 31 31 TYR CA C 13 58.5 0.1 . 1 . . . . . . . . 5571 1 361 . 1 1 31 31 TYR CB C 13 38.2 0.1 . 1 . . . . . . . . 5571 1 362 . 1 1 31 31 TYR CG C 13 131.5 0.1 . 1 . . . . . . . . 5571 1 363 . 1 1 31 31 TYR CD1 C 13 132.3 0.1 . 1 . . . . . . . . 5571 1 364 . 1 1 31 31 TYR CE1 C 13 117.7 0.1 . 1 . . . . . . . . 5571 1 365 . 1 1 31 31 TYR N N 15 120.5 0.1 . 1 . . . . . . . . 5571 1 366 . 1 1 32 32 GLU H H 1 8.45 0.02 . 1 . . . . . . . . 5571 1 367 . 1 1 32 32 GLU HA H 1 4.58 0.02 . 1 . . . . . . . . 5571 1 368 . 1 1 32 32 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5571 1 369 . 1 1 32 32 GLU HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5571 1 370 . 1 1 32 32 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5571 1 371 . 1 1 32 32 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 5571 1 372 . 1 1 32 32 GLU C C 13 175.8 0.1 . 1 . . . . . . . . 5571 1 373 . 1 1 32 32 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 5571 1 374 . 1 1 32 32 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5571 1 375 . 1 1 32 32 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5571 1 376 . 1 1 32 32 GLU CD C 13 183.4 0.1 . 1 . . . . . . . . 5571 1 377 . 1 1 32 32 GLU N N 15 122 0.1 . 1 . . . . . . . . 5571 1 378 . 1 1 33 33 VAL H H 1 8.8 0.02 . 1 . . . . . . . . 5571 1 379 . 1 1 33 33 VAL HA H 1 4.96 0.02 . 1 . . . . . . . . 5571 1 380 . 1 1 33 33 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5571 1 381 . 1 1 33 33 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5571 1 382 . 1 1 33 33 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5571 1 383 . 1 1 33 33 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5571 1 384 . 1 1 33 33 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 385 . 1 1 33 33 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 386 . 1 1 33 33 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 387 . 1 1 33 33 VAL C C 13 174.3 0.1 . 1 . . . . . . . . 5571 1 388 . 1 1 33 33 VAL CA C 13 61.5 0.1 . 1 . . . . . . . . 5571 1 389 . 1 1 33 33 VAL CB C 13 34.1 0.1 . 1 . . . . . . . . 5571 1 390 . 1 1 33 33 VAL CG1 C 13 22.2 0.1 . 2 . . . . . . . . 5571 1 391 . 1 1 33 33 VAL CG2 C 13 21.8 0.1 . 2 . . . . . . . . 5571 1 392 . 1 1 33 33 VAL N N 15 126.5 0.1 . 1 . . . . . . . . 5571 1 393 . 1 1 34 34 ASP H H 1 8.9 0.02 . 1 . . . . . . . . 5571 1 394 . 1 1 34 34 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . 5571 1 395 . 1 1 34 34 ASP HB2 H 1 3 0.02 . 2 . . . . . . . . 5571 1 396 . 1 1 34 34 ASP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5571 1 397 . 1 1 34 34 ASP C C 13 174.1 0.1 . 1 . . . . . . . . 5571 1 398 . 1 1 34 34 ASP CA C 13 52.6 0.1 . 1 . . . . . . . . 5571 1 399 . 1 1 34 34 ASP CB C 13 43 0.1 . 1 . . . . . . . . 5571 1 400 . 1 1 34 34 ASP CG C 13 180 0.1 . 1 . . . . . . . . 5571 1 401 . 1 1 34 34 ASP N N 15 130.7 0.1 . 1 . . . . . . . . 5571 1 402 . 1 1 35 35 SER H H 1 8.33 0.02 . 1 . . . . . . . . 5571 1 403 . 1 1 35 35 SER HA H 1 5.64 0.02 . 1 . . . . . . . . 5571 1 404 . 1 1 35 35 SER HB2 H 1 3.8 0.02 . 2 . . . . . . . . 5571 1 405 . 1 1 35 35 SER HB3 H 1 3.53 0.02 . 2 . . . . . . . . 5571 1 406 . 1 1 35 35 SER C C 13 175.1 0.1 . 1 . . . . . . . . 5571 1 407 . 1 1 35 35 SER CA C 13 56.3 0.1 . 1 . . . . . . . . 5571 1 408 . 1 1 35 35 SER CB C 13 64.2 0.1 . 1 . . . . . . . . 5571 1 409 . 1 1 35 35 SER N N 15 119.2 0.1 . 1 . . . . . . . . 5571 1 410 . 1 1 36 36 ARG H H 1 9.54 0.02 . 1 . . . . . . . . 5571 1 411 . 1 1 36 36 ARG HA H 1 4.72 0.02 . 1 . . . . . . . . 5571 1 412 . 1 1 36 36 ARG HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5571 1 413 . 1 1 36 36 ARG HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5571 1 414 . 1 1 36 36 ARG HG2 H 1 1.59 0.02 . 2 . . . . . . . . 5571 1 415 . 1 1 36 36 ARG HG3 H 1 1.42 0.02 . 2 . . . . . . . . 5571 1 416 . 1 1 36 36 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 5571 1 417 . 1 1 36 36 ARG HD3 H 1 2.7 0.02 . 2 . . . . . . . . 5571 1 418 . 1 1 36 36 ARG HE H 1 7.81 0.02 . 1 . . . . . . . . 5571 1 419 . 1 1 36 36 ARG C C 13 173.1 0.1 . 1 . . . . . . . . 5571 1 420 . 1 1 36 36 ARG CA C 13 54.1 0.1 . 1 . . . . . . . . 5571 1 421 . 1 1 36 36 ARG CB C 13 34.5 0.1 . 1 . . . . . . . . 5571 1 422 . 1 1 36 36 ARG CG C 13 26.4 0.1 . 1 . . . . . . . . 5571 1 423 . 1 1 36 36 ARG CD C 13 44.1 0.1 . 1 . . . . . . . . 5571 1 424 . 1 1 36 36 ARG CZ C 13 159.9 0.1 . 1 . . . . . . . . 5571 1 425 . 1 1 36 36 ARG N N 15 124.9 0.1 . 1 . . . . . . . . 5571 1 426 . 1 1 36 36 ARG NE N 15 85.7 0.1 . 1 . . . . . . . . 5571 1 427 . 1 1 36 36 ARG NH1 N 15 72.5 0.1 . 1 . . . . . . . . 5571 1 428 . 1 1 37 37 ASP H H 1 8.2 0.02 . 1 . . . . . . . . 5571 1 429 . 1 1 37 37 ASP HA H 1 3.45 0.02 . 1 . . . . . . . . 5571 1 430 . 1 1 37 37 ASP HB2 H 1 2.55 0.02 . 2 . . . . . . . . 5571 1 431 . 1 1 37 37 ASP HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5571 1 432 . 1 1 37 37 ASP C C 13 175.8 0.1 . 1 . . . . . . . . 5571 1 433 . 1 1 37 37 ASP CA C 13 52.7 0.1 . 1 . . . . . . . . 5571 1 434 . 1 1 37 37 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 5571 1 435 . 1 1 37 37 ASP CG C 13 179.1 0.1 . 1 . . . . . . . . 5571 1 436 . 1 1 37 37 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 5571 1 437 . 1 1 38 38 ALA H H 1 9.36 0.02 . 1 . . . . . . . . 5571 1 438 . 1 1 38 38 ALA HA H 1 3.62 0.02 . 1 . . . . . . . . 5571 1 439 . 1 1 38 38 ALA HB1 H 1 0.96 0.02 . 1 . . . . . . . . 5571 1 440 . 1 1 38 38 ALA HB2 H 1 0.96 0.02 . 1 . . . . . . . . 5571 1 441 . 1 1 38 38 ALA HB3 H 1 0.96 0.02 . 1 . . . . . . . . 5571 1 442 . 1 1 38 38 ALA C C 13 178 0.1 . 1 . . . . . . . . 5571 1 443 . 1 1 38 38 ALA CA C 13 54.4 0.1 . 1 . . . . . . . . 5571 1 444 . 1 1 38 38 ALA CB C 13 18.5 0.1 . 1 . . . . . . . . 5571 1 445 . 1 1 38 38 ALA N N 15 130.9 0.1 . 1 . . . . . . . . 5571 1 446 . 1 1 39 39 ALA H H 1 8.93 0.02 . 1 . . . . . . . . 5571 1 447 . 1 1 39 39 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 5571 1 448 . 1 1 39 39 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 5571 1 449 . 1 1 39 39 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 5571 1 450 . 1 1 39 39 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 5571 1 451 . 1 1 39 39 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 5571 1 452 . 1 1 39 39 ALA CA C 13 54 0.1 . 1 . . . . . . . . 5571 1 453 . 1 1 39 39 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5571 1 454 . 1 1 39 39 ALA N N 15 118.3 0.02 . 1 . . . . . . . . 5571 1 455 . 1 1 40 40 SER H H 1 8.11 0.02 . 1 . . . . . . . . 5571 1 456 . 1 1 40 40 SER HA H 1 4.61 0.02 . 1 . . . . . . . . 5571 1 457 . 1 1 40 40 SER HB2 H 1 4.04 0.02 . 2 . . . . . . . . 5571 1 458 . 1 1 40 40 SER HB3 H 1 3.93 0.02 . 2 . . . . . . . . 5571 1 459 . 1 1 40 40 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5571 1 460 . 1 1 40 40 SER CA C 13 58 0.1 . 1 . . . . . . . . 5571 1 461 . 1 1 40 40 SER CB C 13 65 0.1 . 1 . . . . . . . . 5571 1 462 . 1 1 40 40 SER N N 15 110.6 0.1 . 1 . . . . . . . . 5571 1 463 . 1 1 41 41 VAL H H 1 6.97 0.02 . 1 . . . . . . . . 5571 1 464 . 1 1 41 41 VAL HA H 1 4.62 0.02 . 1 . . . . . . . . 5571 1 465 . 1 1 41 41 VAL HB H 1 2.13 0.02 . 1 . . . . . . . . 5571 1 466 . 1 1 41 41 VAL HG11 H 1 0.78 0.02 . 2 . . . . . . . . 5571 1 467 . 1 1 41 41 VAL HG12 H 1 0.78 0.02 . 2 . . . . . . . . 5571 1 468 . 1 1 41 41 VAL HG13 H 1 0.78 0.02 . 2 . . . . . . . . 5571 1 469 . 1 1 41 41 VAL HG21 H 1 0.74 0.02 . 2 . . . . . . . . 5571 1 470 . 1 1 41 41 VAL HG22 H 1 0.74 0.02 . 2 . . . . . . . . 5571 1 471 . 1 1 41 41 VAL HG23 H 1 0.74 0.02 . 2 . . . . . . . . 5571 1 472 . 1 1 41 41 VAL C C 13 175 0.1 . 1 . . . . . . . . 5571 1 473 . 1 1 41 41 VAL CA C 13 59.7 0.1 . 1 . . . . . . . . 5571 1 474 . 1 1 41 41 VAL CB C 13 33.7 0.1 . 1 . . . . . . . . 5571 1 475 . 1 1 41 41 VAL CG1 C 13 22.3 0.1 . 2 . . . . . . . . 5571 1 476 . 1 1 41 41 VAL CG2 C 13 19.1 0.1 . 2 . . . . . . . . 5571 1 477 . 1 1 41 41 VAL N N 15 114 0.1 . 1 . . . . . . . . 5571 1 478 . 1 1 42 42 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 5571 1 479 . 1 1 42 42 GLU HA H 1 4.46 0.02 . 1 . . . . . . . . 5571 1 480 . 1 1 42 42 GLU HB2 H 1 2 0.02 . 2 . . . . . . . . 5571 1 481 . 1 1 42 42 GLU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5571 1 482 . 1 1 42 42 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 5571 1 483 . 1 1 42 42 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 5571 1 484 . 1 1 42 42 GLU C C 13 176.5 0.1 . 1 . . . . . . . . 5571 1 485 . 1 1 42 42 GLU CA C 13 54.3 0.1 . 1 . . . . . . . . 5571 1 486 . 1 1 42 42 GLU CB C 13 31.2 0.1 . 1 . . . . . . . . 5571 1 487 . 1 1 42 42 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5571 1 488 . 1 1 42 42 GLU N N 15 121.8 0.1 . 1 . . . . . . . . 5571 1 489 . 1 1 43 43 ALA H H 1 8.6 0.02 . 1 . . . . . . . . 5571 1 490 . 1 1 43 43 ALA HA H 1 3.54 0.02 . 1 . . . . . . . . 5571 1 491 . 1 1 43 43 ALA HB1 H 1 1.2 0.02 . 1 . . . . . . . . 5571 1 492 . 1 1 43 43 ALA HB2 H 1 1.2 0.02 . 1 . . . . . . . . 5571 1 493 . 1 1 43 43 ALA HB3 H 1 1.2 0.02 . 1 . . . . . . . . 5571 1 494 . 1 1 43 43 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 5571 1 495 . 1 1 43 43 ALA CA C 13 55.3 0.1 . 1 . . . . . . . . 5571 1 496 . 1 1 43 43 ALA CB C 13 20 0.1 . 1 . . . . . . . . 5571 1 497 . 1 1 43 43 ALA N N 15 124.4 0.1 . 1 . . . . . . . . 5571 1 498 . 1 1 44 44 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 5571 1 499 . 1 1 44 44 GLY HA2 H 1 3.67 0.02 . 2 . . . . . . . . 5571 1 500 . 1 1 44 44 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 5571 1 501 . 1 1 44 44 GLY C C 13 176.5 0.1 . 1 . . . . . . . . 5571 1 502 . 1 1 44 44 GLY CA C 13 47.8 0.1 . 1 . . . . . . . . 5571 1 503 . 1 1 44 44 GLY N N 15 102.8 0.1 . 1 . . . . . . . . 5571 1 504 . 1 1 45 45 GLY H H 1 8.96 0.02 . 1 . . . . . . . . 5571 1 505 . 1 1 45 45 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5571 1 506 . 1 1 45 45 GLY HA3 H 1 3.82 0.02 . 2 . . . . . . . . 5571 1 507 . 1 1 45 45 GLY C C 13 176.5 0.1 . 1 . . . . . . . . 5571 1 508 . 1 1 45 45 GLY CA C 13 46.4 0.1 . 1 . . . . . . . . 5571 1 509 . 1 1 45 45 GLY N N 15 116.7 0.1 . 1 . . . . . . . . 5571 1 510 . 1 1 46 46 LEU H H 1 7.55 0.02 . 1 . . . . . . . . 5571 1 511 . 1 1 46 46 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 5571 1 512 . 1 1 46 46 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5571 1 513 . 1 1 46 46 LEU HB3 H 1 1.1 0.02 . 2 . . . . . . . . 5571 1 514 . 1 1 46 46 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5571 1 515 . 1 1 46 46 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . 5571 1 516 . 1 1 46 46 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . 5571 1 517 . 1 1 46 46 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . 5571 1 518 . 1 1 46 46 LEU HD21 H 1 1.03 0.02 . 2 . . . . . . . . 5571 1 519 . 1 1 46 46 LEU HD22 H 1 1.03 0.02 . 2 . . . . . . . . 5571 1 520 . 1 1 46 46 LEU HD23 H 1 1.03 0.02 . 2 . . . . . . . . 5571 1 521 . 1 1 46 46 LEU C C 13 176.8 0.1 . 1 . . . . . . . . 5571 1 522 . 1 1 46 46 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5571 1 523 . 1 1 46 46 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5571 1 524 . 1 1 46 46 LEU CG C 13 27 0.1 . 1 . . . . . . . . 5571 1 525 . 1 1 46 46 LEU CD1 C 13 27.3 0.1 . 2 . . . . . . . . 5571 1 526 . 1 1 46 46 LEU CD2 C 13 22 0.1 . 2 . . . . . . . . 5571 1 527 . 1 1 46 46 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 5571 1 528 . 1 1 47 47 PHE H H 1 8.53 0.02 . 1 . . . . . . . . 5571 1 529 . 1 1 47 47 PHE HA H 1 4.88 0.02 . 1 . . . . . . . . 5571 1 530 . 1 1 47 47 PHE HB2 H 1 3.33 0.02 . 2 . . . . . . . . 5571 1 531 . 1 1 47 47 PHE HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5571 1 532 . 1 1 47 47 PHE HD1 H 1 6.73 0.02 . 1 . . . . . . . . 5571 1 533 . 1 1 47 47 PHE HE1 H 1 6.99 0.02 . 1 . . . . . . . . 5571 1 534 . 1 1 47 47 PHE HZ H 1 6.95 0.02 . 1 . . . . . . . . 5571 1 535 . 1 1 47 47 PHE C C 13 176.4 0.1 . 1 . . . . . . . . 5571 1 536 . 1 1 47 47 PHE CA C 13 54.1 0.1 . 1 . . . . . . . . 5571 1 537 . 1 1 47 47 PHE CB C 13 36.6 0.1 . 1 . . . . . . . . 5571 1 538 . 1 1 47 47 PHE CG C 13 140.8 0.1 . 1 . . . . . . . . 5571 1 539 . 1 1 47 47 PHE CD1 C 13 130 0.1 . 1 . . . . . . . . 5571 1 540 . 1 1 47 47 PHE CE1 C 13 131.1 0.1 . 1 . . . . . . . . 5571 1 541 . 1 1 47 47 PHE CZ C 13 127.9 0.1 . 1 . . . . . . . . 5571 1 542 . 1 1 47 47 PHE N N 15 110.2 0.1 . 1 . . . . . . . . 5571 1 543 . 1 1 48 48 GLU H H 1 7.58 0.02 . 1 . . . . . . . . 5571 1 544 . 1 1 48 48 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 5571 1 545 . 1 1 48 48 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5571 1 546 . 1 1 48 48 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5571 1 547 . 1 1 48 48 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 5571 1 548 . 1 1 48 48 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 5571 1 549 . 1 1 48 48 GLU C C 13 177.8 0.1 . 1 . . . . . . . . 5571 1 550 . 1 1 48 48 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . 5571 1 551 . 1 1 48 48 GLU CB C 13 28.9 0.1 . 1 . . . . . . . . 5571 1 552 . 1 1 48 48 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5571 1 553 . 1 1 48 48 GLU CD C 13 183.1 0.1 . 1 . . . . . . . . 5571 1 554 . 1 1 48 48 GLU N N 15 118.1 0.1 . 1 . . . . . . . . 5571 1 555 . 1 1 49 49 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 5571 1 556 . 1 1 49 49 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 5571 1 557 . 1 1 49 49 GLY HA3 H 1 3.6 0.02 . 2 . . . . . . . . 5571 1 558 . 1 1 49 49 GLY C C 13 174.2 0.1 . 1 . . . . . . . . 5571 1 559 . 1 1 49 49 GLY CA C 13 45 0.1 . 1 . . . . . . . . 5571 1 560 . 1 1 49 49 GLY N N 15 109.4 0.1 . 1 . . . . . . . . 5571 1 561 . 1 1 50 50 PHE H H 1 7.59 0.02 . 1 . . . . . . . . 5571 1 562 . 1 1 50 50 PHE HA H 1 4.46 0.02 . 1 . . . . . . . . 5571 1 563 . 1 1 50 50 PHE HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5571 1 564 . 1 1 50 50 PHE HB3 H 1 2.8 0.02 . 2 . . . . . . . . 5571 1 565 . 1 1 50 50 PHE HD1 H 1 7.01 0.02 . 1 . . . . . . . . 5571 1 566 . 1 1 50 50 PHE HE1 H 1 7.54 0.02 . 2 . . . . . . . . 5571 1 567 . 1 1 50 50 PHE HZ H 1 7.44 0.1 . 1 . . . . . . . . 5571 1 568 . 1 1 50 50 PHE C C 13 175.2 0.1 . 1 . . . . . . . . 5571 1 569 . 1 1 50 50 PHE CA C 13 59.6 0.1 . 1 . . . . . . . . 5571 1 570 . 1 1 50 50 PHE CB C 13 40.3 0.1 . 1 . . . . . . . . 5571 1 571 . 1 1 50 50 PHE CG C 13 140.2 0.1 . 1 . . . . . . . . 5571 1 572 . 1 1 50 50 PHE CD1 C 13 132.8 0.1 . 1 . . . . . . . . 5571 1 573 . 1 1 50 50 PHE CE1 C 13 132 0.1 . 1 . . . . . . . . 5571 1 574 . 1 1 50 50 PHE CZ C 13 130.7 0.1 . 1 . . . . . . . . 5571 1 575 . 1 1 50 50 PHE N N 15 116.8 0.1 . 1 . . . . . . . . 5571 1 576 . 1 1 51 51 ASP H H 1 8.69 0.02 . 1 . . . . . . . . 5571 1 577 . 1 1 51 51 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 5571 1 578 . 1 1 51 51 ASP HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5571 1 579 . 1 1 51 51 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5571 1 580 . 1 1 51 51 ASP C C 13 175.2 0.1 . 1 . . . . . . . . 5571 1 581 . 1 1 51 51 ASP CA C 13 56.6 0.1 . 1 . . . . . . . . 5571 1 582 . 1 1 51 51 ASP CB C 13 42.9 0.1 . 1 . . . . . . . . 5571 1 583 . 1 1 51 51 ASP CG C 13 179.7 0.1 . 1 . . . . . . . . 5571 1 584 . 1 1 51 51 ASP N N 15 121.1 0.1 . 1 . . . . . . . . 5571 1 585 . 1 1 52 52 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 5571 1 586 . 1 1 52 52 LEU HA H 1 4.91 0.02 . 1 . . . . . . . . 5571 1 587 . 1 1 52 52 LEU HB2 H 1 1.5 0.02 . 2 . . . . . . . . 5571 1 588 . 1 1 52 52 LEU HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5571 1 589 . 1 1 52 52 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . 5571 1 590 . 1 1 52 52 LEU HD11 H 1 0.57 0.02 . 2 . . . . . . . . 5571 1 591 . 1 1 52 52 LEU HD12 H 1 0.57 0.02 . 2 . . . . . . . . 5571 1 592 . 1 1 52 52 LEU HD13 H 1 0.57 0.02 . 2 . . . . . . . . 5571 1 593 . 1 1 52 52 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 5571 1 594 . 1 1 52 52 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 5571 1 595 . 1 1 52 52 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 5571 1 596 . 1 1 52 52 LEU C C 13 173.8 0.1 . 1 . . . . . . . . 5571 1 597 . 1 1 52 52 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5571 1 598 . 1 1 52 52 LEU CB C 13 46.1 0.1 . 1 . . . . . . . . 5571 1 599 . 1 1 52 52 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5571 1 600 . 1 1 52 52 LEU CD1 C 13 25.7 0.1 . 2 . . . . . . . . 5571 1 601 . 1 1 52 52 LEU CD2 C 13 21.6 0.1 . 2 . . . . . . . . 5571 1 602 . 1 1 52 52 LEU N N 15 118.9 0.1 . 1 . . . . . . . . 5571 1 603 . 1 1 53 53 VAL H H 1 8.58 0.02 . 1 . . . . . . . . 5571 1 604 . 1 1 53 53 VAL HA H 1 4.82 0.02 . 1 . . . . . . . . 5571 1 605 . 1 1 53 53 VAL HB H 1 1.49 0.02 . 1 . . . . . . . . 5571 1 606 . 1 1 53 53 VAL HG11 H 1 0.46 0.02 . 2 . . . . . . . . 5571 1 607 . 1 1 53 53 VAL HG12 H 1 0.46 0.02 . 2 . . . . . . . . 5571 1 608 . 1 1 53 53 VAL HG13 H 1 0.46 0.02 . 2 . . . . . . . . 5571 1 609 . 1 1 53 53 VAL HG21 H 1 -0.07 0.02 . 2 . . . . . . . . 5571 1 610 . 1 1 53 53 VAL HG22 H 1 -0.07 0.02 . 2 . . . . . . . . 5571 1 611 . 1 1 53 53 VAL HG23 H 1 -0.07 0.02 . 2 . . . . . . . . 5571 1 612 . 1 1 53 53 VAL C C 13 173.5 0.1 . 1 . . . . . . . . 5571 1 613 . 1 1 53 53 VAL CA C 13 60.6 0.1 . 1 . . . . . . . . 5571 1 614 . 1 1 53 53 VAL CB C 13 34.4 0.1 . 1 . . . . . . . . 5571 1 615 . 1 1 53 53 VAL CG1 C 13 20.6 0.1 . 2 . . . . . . . . 5571 1 616 . 1 1 53 53 VAL CG2 C 13 19.9 0.1 . 2 . . . . . . . . 5571 1 617 . 1 1 53 53 VAL N N 15 126.7 0.1 . 1 . . . . . . . . 5571 1 618 . 1 1 54 54 LEU H H 1 9.47 0.02 . 1 . . . . . . . . 5571 1 619 . 1 1 54 54 LEU HA H 1 5.97 0.02 . 1 . . . . . . . . 5571 1 620 . 1 1 54 54 LEU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5571 1 621 . 1 1 54 54 LEU HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5571 1 622 . 1 1 54 54 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 5571 1 623 . 1 1 54 54 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 624 . 1 1 54 54 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 625 . 1 1 54 54 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 626 . 1 1 54 54 LEU HD21 H 1 0.99 0.02 . 2 . . . . . . . . 5571 1 627 . 1 1 54 54 LEU HD22 H 1 0.99 0.02 . 2 . . . . . . . . 5571 1 628 . 1 1 54 54 LEU HD23 H 1 0.99 0.02 . 2 . . . . . . . . 5571 1 629 . 1 1 54 54 LEU C C 13 175.4 0.1 . 1 . . . . . . . . 5571 1 630 . 1 1 54 54 LEU CA C 13 52.4 0.1 . 1 . . . . . . . . 5571 1 631 . 1 1 54 54 LEU CB C 13 44.5 0.1 . 1 . . . . . . . . 5571 1 632 . 1 1 54 54 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5571 1 633 . 1 1 54 54 LEU CD1 C 13 27.3 0.1 . 2 . . . . . . . . 5571 1 634 . 1 1 54 54 LEU CD2 C 13 24.2 0.1 . 2 . . . . . . . . 5571 1 635 . 1 1 54 54 LEU N N 15 125.5 0.1 . 1 . . . . . . . . 5571 1 636 . 1 1 55 55 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 5571 1 637 . 1 1 55 55 LEU HA H 1 5.5 0.02 . 1 . . . . . . . . 5571 1 638 . 1 1 55 55 LEU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5571 1 639 . 1 1 55 55 LEU HB3 H 1 1.5 0.02 . 2 . . . . . . . . 5571 1 640 . 1 1 55 55 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5571 1 641 . 1 1 55 55 LEU HD11 H 1 1.06 0.02 . 2 . . . . . . . . 5571 1 642 . 1 1 55 55 LEU HD12 H 1 1.06 0.02 . 2 . . . . . . . . 5571 1 643 . 1 1 55 55 LEU HD13 H 1 1.06 0.02 . 2 . . . . . . . . 5571 1 644 . 1 1 55 55 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5571 1 645 . 1 1 55 55 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5571 1 646 . 1 1 55 55 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5571 1 647 . 1 1 55 55 LEU C C 13 174.5 0.1 . 1 . . . . . . . . 5571 1 648 . 1 1 55 55 LEU CA C 13 52.7 0.1 . 1 . . . . . . . . 5571 1 649 . 1 1 55 55 LEU CB C 13 45 0.1 . 1 . . . . . . . . 5571 1 650 . 1 1 55 55 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5571 1 651 . 1 1 55 55 LEU CD1 C 13 26.8 0.1 . 2 . . . . . . . . 5571 1 652 . 1 1 55 55 LEU CD2 C 13 24.2 0.1 . 2 . . . . . . . . 5571 1 653 . 1 1 55 55 LEU N N 15 121 0.1 . 1 . . . . . . . . 5571 1 654 . 1 1 56 56 GLY H H 1 8.92 0.02 . 1 . . . . . . . . 5571 1 655 . 1 1 56 56 GLY HA2 H 1 4.33 0.02 . 2 . . . . . . . . 5571 1 656 . 1 1 56 56 GLY HA3 H 1 1.55 0.02 . 2 . . . . . . . . 5571 1 657 . 1 1 56 56 GLY C C 13 172.9 0.1 . 1 . . . . . . . . 5571 1 658 . 1 1 56 56 GLY CA C 13 42.6 0.1 . 1 . . . . . . . . 5571 1 659 . 1 1 56 56 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 5571 1 660 . 1 1 57 57 CYS H H 1 7.94 0.1 . 1 . . . . . . . . 5571 1 661 . 1 1 57 57 CYS HA H 1 4.95 0.02 . 1 . . . . . . . . 5571 1 662 . 1 1 57 57 CYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5571 1 663 . 1 1 57 57 CYS HB3 H 1 1.64 0.02 . 2 . . . . . . . . 5571 1 664 . 1 1 57 57 CYS HG H 1 2.77 0.02 . 1 . . . . . . . . 5571 1 665 . 1 1 57 57 CYS C C 13 172.9 0.1 . 1 . . . . . . . . 5571 1 666 . 1 1 57 57 CYS CA C 13 59 0.1 . 1 . . . . . . . . 5571 1 667 . 1 1 57 57 CYS CB C 13 30.3 0.1 . 1 . . . . . . . . 5571 1 668 . 1 1 57 57 CYS N N 15 119.5 0.1 . 1 . . . . . . . . 5571 1 669 . 1 1 58 58 SER H H 1 7.49 0.02 . 1 . . . . . . . . 5571 1 670 . 1 1 58 58 SER HA H 1 5.06 0.02 . 1 . . . . . . . . 5571 1 671 . 1 1 58 58 SER HB2 H 1 4.46 0.02 . 2 . . . . . . . . 5571 1 672 . 1 1 58 58 SER HB3 H 1 4 0.02 . 2 . . . . . . . . 5571 1 673 . 1 1 58 58 SER HG H 1 8.52 0.02 . 1 . . . . . . . . 5571 1 674 . 1 1 58 58 SER C C 13 174 0.1 . 1 . . . . . . . . 5571 1 675 . 1 1 58 58 SER CA C 13 56.3 0.1 . 1 . . . . . . . . 5571 1 676 . 1 1 58 58 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5571 1 677 . 1 1 58 58 SER N N 15 119.3 0.1 . 1 . . . . . . . . 5571 1 678 . 1 1 59 59 THR H H 1 6.02 0.02 . 1 . . . . . . . . 5571 1 679 . 1 1 59 59 THR HA H 1 4.39 0.02 . 1 . . . . . . . . 5571 1 680 . 1 1 59 59 THR HB H 1 3.25 0.02 . 1 . . . . . . . . 5571 1 681 . 1 1 59 59 THR HG1 H 1 6.16 0.02 . 2 . . . . . . . . 5571 1 682 . 1 1 59 59 THR HG21 H 1 1.3 0.02 . 1 . . . . . . . . 5571 1 683 . 1 1 59 59 THR HG22 H 1 1.3 0.02 . 1 . . . . . . . . 5571 1 684 . 1 1 59 59 THR HG23 H 1 1.3 0.02 . 1 . . . . . . . . 5571 1 685 . 1 1 59 59 THR C C 13 171 0.1 . 1 . . . . . . . . 5571 1 686 . 1 1 59 59 THR CA C 13 63.4 0.1 . 1 . . . . . . . . 5571 1 687 . 1 1 59 59 THR CB C 13 70.4 0.1 . 1 . . . . . . . . 5571 1 688 . 1 1 59 59 THR CG2 C 13 22.7 0.1 . 1 . . . . . . . . 5571 1 689 . 1 1 59 59 THR N N 15 111 0.1 . 1 . . . . . . . . 5571 1 690 . 1 1 60 60 TRP H H 1 8.6 0.02 . 1 . . . . . . . . 5571 1 691 . 1 1 60 60 TRP HA H 1 2.9 0.02 . 1 . . . . . . . . 5571 1 692 . 1 1 60 60 TRP HB2 H 1 3.22 0.02 . 2 . . . . . . . . 5571 1 693 . 1 1 60 60 TRP HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5571 1 694 . 1 1 60 60 TRP HD1 H 1 6.28 0.02 . 1 . . . . . . . . 5571 1 695 . 1 1 60 60 TRP HE1 H 1 10.63 0.02 . 2 . . . . . . . . 5571 1 696 . 1 1 60 60 TRP HE3 H 1 7.04 0.02 . 2 . . . . . . . . 5571 1 697 . 1 1 60 60 TRP HZ2 H 1 8.2 0.02 . 2 . . . . . . . . 5571 1 698 . 1 1 60 60 TRP HZ3 H 1 7.16 0.02 . 2 . . . . . . . . 5571 1 699 . 1 1 60 60 TRP HH2 H 1 7.23 0.02 . 1 . . . . . . . . 5571 1 700 . 1 1 60 60 TRP C C 13 174.5 0.1 . 1 . . . . . . . . 5571 1 701 . 1 1 60 60 TRP CA C 13 56.3 0.1 . 1 . . . . . . . . 5571 1 702 . 1 1 60 60 TRP CB C 13 30 0.1 . 1 . . . . . . . . 5571 1 703 . 1 1 60 60 TRP CG C 13 112 0.1 . 1 . . . . . . . . 5571 1 704 . 1 1 60 60 TRP CD1 C 13 125.2 0.1 . 2 . . . . . . . . 5571 1 705 . 1 1 60 60 TRP CD2 C 13 128.4 0.1 . 2 . . . . . . . . 5571 1 706 . 1 1 60 60 TRP CE2 C 13 138.5 0.1 . 2 . . . . . . . . 5571 1 707 . 1 1 60 60 TRP CE3 C 13 119.3 0.1 . 2 . . . . . . . . 5571 1 708 . 1 1 60 60 TRP CZ2 C 13 114.9 0.1 . 2 . . . . . . . . 5571 1 709 . 1 1 60 60 TRP CZ3 C 13 122.1 0.1 . 2 . . . . . . . . 5571 1 710 . 1 1 60 60 TRP CH2 C 13 123.9 0.1 . 1 . . . . . . . . 5571 1 711 . 1 1 60 60 TRP N N 15 129.8 0.1 . 1 . . . . . . . . 5571 1 712 . 1 1 60 60 TRP NE1 N 15 128.4 0.1 . 1 . . . . . . . . 5571 1 713 . 1 1 61 61 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 5571 1 714 . 1 1 61 61 GLY HA2 H 1 5.01 0.02 . 2 . . . . . . . . 5571 1 715 . 1 1 61 61 GLY HA3 H 1 3.74 0.02 . 2 . . . . . . . . 5571 1 716 . 1 1 61 61 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 5571 1 717 . 1 1 61 61 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5571 1 718 . 1 1 61 61 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 5571 1 719 . 1 1 62 62 ASP H H 1 8.83 0.02 . 1 . . . . . . . . 5571 1 720 . 1 1 62 62 ASP HA H 1 4.96 0.02 . 1 . . . . . . . . 5571 1 721 . 1 1 62 62 ASP HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5571 1 722 . 1 1 62 62 ASP HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5571 1 723 . 1 1 62 62 ASP C C 13 176 0.1 . 1 . . . . . . . . 5571 1 724 . 1 1 62 62 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 5571 1 725 . 1 1 62 62 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . 5571 1 726 . 1 1 62 62 ASP CG C 13 179.8 0.1 . 1 . . . . . . . . 5571 1 727 . 1 1 62 62 ASP N N 15 123.5 0.1 . 1 . . . . . . . . 5571 1 728 . 1 1 63 63 ASP H H 1 9.22 0.02 . 1 . . . . . . . . 5571 1 729 . 1 1 63 63 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 5571 1 730 . 1 1 63 63 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5571 1 731 . 1 1 63 63 ASP HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5571 1 732 . 1 1 63 63 ASP C C 13 175.1 0.1 . 1 . . . . . . . . 5571 1 733 . 1 1 63 63 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 5571 1 734 . 1 1 63 63 ASP CB C 13 40.8 0.1 . 1 . . . . . . . . 5571 1 735 . 1 1 63 63 ASP N N 15 122.7 0.1 . 1 . . . . . . . . 5571 1 736 . 1 1 64 64 SER H H 1 7.8 0.02 . 1 . . . . . . . . 5571 1 737 . 1 1 64 64 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 5571 1 738 . 1 1 64 64 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 5571 1 739 . 1 1 64 64 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 5571 1 740 . 1 1 64 64 SER C C 13 172.9 0.1 . 1 . . . . . . . . 5571 1 741 . 1 1 64 64 SER CA C 13 57.2 0.1 . 1 . . . . . . . . 5571 1 742 . 1 1 64 64 SER CB C 13 64.2 0.1 . 1 . . . . . . . . 5571 1 743 . 1 1 64 64 SER N N 15 111 0.1 . 1 . . . . . . . . 5571 1 744 . 1 1 65 65 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 5571 1 745 . 1 1 65 65 ILE HA H 1 4.14 0.02 . 1 . . . . . . . . 5571 1 746 . 1 1 65 65 ILE HB H 1 1.59 0.02 . 1 . . . . . . . . 5571 1 747 . 1 1 65 65 ILE HG12 H 1 1.28 0.02 . 2 . . . . . . . . 5571 1 748 . 1 1 65 65 ILE HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5571 1 749 . 1 1 65 65 ILE HG21 H 1 0.61 0.02 . 1 . . . . . . . . 5571 1 750 . 1 1 65 65 ILE HG22 H 1 0.61 0.02 . 1 . . . . . . . . 5571 1 751 . 1 1 65 65 ILE HG23 H 1 0.61 0.02 . 1 . . . . . . . . 5571 1 752 . 1 1 65 65 ILE HD11 H 1 0.55 0.02 . 1 . . . . . . . . 5571 1 753 . 1 1 65 65 ILE HD12 H 1 0.55 0.02 . 1 . . . . . . . . 5571 1 754 . 1 1 65 65 ILE HD13 H 1 0.55 0.02 . 1 . . . . . . . . 5571 1 755 . 1 1 65 65 ILE C C 13 175.4 0.1 . 1 . . . . . . . . 5571 1 756 . 1 1 65 65 ILE CA C 13 61.8 0.1 . 1 . . . . . . . . 5571 1 757 . 1 1 65 65 ILE CB C 13 38.2 0.1 . 1 . . . . . . . . 5571 1 758 . 1 1 65 65 ILE CG1 C 13 28.4 0.1 . 1 . . . . . . . . 5571 1 759 . 1 1 65 65 ILE CG2 C 13 16.6 0.1 . 1 . . . . . . . . 5571 1 760 . 1 1 65 65 ILE CD1 C 13 13 0.1 . 1 . . . . . . . . 5571 1 761 . 1 1 65 65 ILE N N 15 118.7 0.1 . 1 . . . . . . . . 5571 1 762 . 1 1 66 66 GLU H H 1 7.61 0.02 . 1 . . . . . . . . 5571 1 763 . 1 1 66 66 GLU HA H 1 4.57 0.02 . 1 . . . . . . . . 5571 1 764 . 1 1 66 66 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5571 1 765 . 1 1 66 66 GLU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5571 1 766 . 1 1 66 66 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 5571 1 767 . 1 1 66 66 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5571 1 768 . 1 1 66 66 GLU C C 13 175.2 0.1 . 1 . . . . . . . . 5571 1 769 . 1 1 66 66 GLU CA C 13 53.6 0.1 . 1 . . . . . . . . 5571 1 770 . 1 1 66 66 GLU CB C 13 32.3 0.1 . 1 . . . . . . . . 5571 1 771 . 1 1 66 66 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 5571 1 772 . 1 1 66 66 GLU CD C 13 183 0.1 . 1 . . . . . . . . 5571 1 773 . 1 1 66 66 GLU N N 15 125 0.1 . 1 . . . . . . . . 5571 1 774 . 1 1 67 67 LEU H H 1 8.76 0.02 . 1 . . . . . . . . 5571 1 775 . 1 1 67 67 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 5571 1 776 . 1 1 67 67 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 5571 1 777 . 1 1 67 67 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 5571 1 778 . 1 1 67 67 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 5571 1 779 . 1 1 67 67 LEU HD11 H 1 0.38 0.02 . 2 . . . . . . . . 5571 1 780 . 1 1 67 67 LEU HD12 H 1 0.38 0.02 . 2 . . . . . . . . 5571 1 781 . 1 1 67 67 LEU HD13 H 1 0.38 0.02 . 2 . . . . . . . . 5571 1 782 . 1 1 67 67 LEU HD21 H 1 0.27 0.02 . 2 . . . . . . . . 5571 1 783 . 1 1 67 67 LEU HD22 H 1 0.27 0.02 . 2 . . . . . . . . 5571 1 784 . 1 1 67 67 LEU HD23 H 1 0.27 0.02 . 2 . . . . . . . . 5571 1 785 . 1 1 67 67 LEU C C 13 174.8 0.1 . 1 . . . . . . . . 5571 1 786 . 1 1 67 67 LEU CA C 13 55.1 0.1 . 1 . . . . . . . . 5571 1 787 . 1 1 67 67 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 5571 1 788 . 1 1 67 67 LEU CG C 13 29.2 0.1 . 1 . . . . . . . . 5571 1 789 . 1 1 67 67 LEU CD1 C 13 24.4 0.1 . 2 . . . . . . . . 5571 1 790 . 1 1 67 67 LEU CD2 C 13 24.1 0.1 . 2 . . . . . . . . 5571 1 791 . 1 1 67 67 LEU N N 15 123.8 0.1 . 1 . . . . . . . . 5571 1 792 . 1 1 68 68 GLN H H 1 6 0.02 . 1 . . . . . . . . 5571 1 793 . 1 1 68 68 GLN HA H 1 3.38 0.02 . 1 . . . . . . . . 5571 1 794 . 1 1 68 68 GLN HB2 H 1 2.44 0.02 . 2 . . . . . . . . 5571 1 795 . 1 1 68 68 GLN HB3 H 1 2 0.02 . 2 . . . . . . . . 5571 1 796 . 1 1 68 68 GLN HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5571 1 797 . 1 1 68 68 GLN HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5571 1 798 . 1 1 68 68 GLN HE21 H 1 7.55 0.02 . 2 . . . . . . . . 5571 1 799 . 1 1 68 68 GLN HE22 H 1 6.77 0.02 . 2 . . . . . . . . 5571 1 800 . 1 1 68 68 GLN C C 13 177.5 0.1 . 1 . . . . . . . . 5571 1 801 . 1 1 68 68 GLN CA C 13 58.8 0.1 . 1 . . . . . . . . 5571 1 802 . 1 1 68 68 GLN CB C 13 27.3 0.1 . 1 . . . . . . . . 5571 1 803 . 1 1 68 68 GLN CG C 13 33.2 0.1 . 1 . . . . . . . . 5571 1 804 . 1 1 68 68 GLN CD C 13 178.8 0.1 . 1 . . . . . . . . 5571 1 805 . 1 1 68 68 GLN N N 15 119.6 0.1 . 1 . . . . . . . . 5571 1 806 . 1 1 68 68 GLN NE2 N 15 108.9 0.1 . 1 . . . . . . . . 5571 1 807 . 1 1 69 69 ASP H H 1 7.64 0.02 . 1 . . . . . . . . 5571 1 808 . 1 1 69 69 ASP HA H 1 3.94 0.02 . 1 . . . . . . . . 5571 1 809 . 1 1 69 69 ASP HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5571 1 810 . 1 1 69 69 ASP HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5571 1 811 . 1 1 69 69 ASP C C 13 178 0.1 . 1 . . . . . . . . 5571 1 812 . 1 1 69 69 ASP CA C 13 58.4 0.1 . 1 . . . . . . . . 5571 1 813 . 1 1 69 69 ASP CB C 13 41.4 0.1 . 1 . . . . . . . . 5571 1 814 . 1 1 69 69 ASP CG C 13 179.1 0.1 . 1 . . . . . . . . 5571 1 815 . 1 1 69 69 ASP N N 15 120.7 0.1 . 1 . . . . . . . . 5571 1 816 . 1 1 70 70 ASP H H 1 7.57 0.02 . 1 . . . . . . . . 5571 1 817 . 1 1 70 70 ASP HA H 1 4.4 0.02 . 1 . . . . . . . . 5571 1 818 . 1 1 70 70 ASP HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5571 1 819 . 1 1 70 70 ASP HB3 H 1 2.4 0.02 . 2 . . . . . . . . 5571 1 820 . 1 1 70 70 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 5571 1 821 . 1 1 70 70 ASP CA C 13 56.4 0.1 . 1 . . . . . . . . 5571 1 822 . 1 1 70 70 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 5571 1 823 . 1 1 70 70 ASP CG C 13 179.6 0.1 . 1 . . . . . . . . 5571 1 824 . 1 1 70 70 ASP N N 15 113 0.1 . 1 . . . . . . . . 5571 1 825 . 1 1 71 71 PHE H H 1 7.99 0.02 . 1 . . . . . . . . 5571 1 826 . 1 1 71 71 PHE HA H 1 3.88 0.02 . 1 . . . . . . . . 5571 1 827 . 1 1 71 71 PHE HB2 H 1 3.32 0.02 . 2 . . . . . . . . 5571 1 828 . 1 1 71 71 PHE HB3 H 1 2.9 0.02 . 2 . . . . . . . . 5571 1 829 . 1 1 71 71 PHE HD1 H 1 7.06 0.02 . 1 . . . . . . . . 5571 1 830 . 1 1 71 71 PHE HE1 H 1 7.11 0.02 . 1 . . . . . . . . 5571 1 831 . 1 1 71 71 PHE HZ H 1 7.11 0.02 . 1 . . . . . . . . 5571 1 832 . 1 1 71 71 PHE C C 13 176.4 0.1 . 1 . . . . . . . . 5571 1 833 . 1 1 71 71 PHE CA C 13 58.6 0.1 . 1 . . . . . . . . 5571 1 834 . 1 1 71 71 PHE CB C 13 43.5 0.1 . 1 . . . . . . . . 5571 1 835 . 1 1 71 71 PHE CG C 13 141.5 0.1 . 1 . . . . . . . . 5571 1 836 . 1 1 71 71 PHE CD1 C 13 132.7 0.1 . 1 . . . . . . . . 5571 1 837 . 1 1 71 71 PHE CE1 C 13 130.1 0.1 . 1 . . . . . . . . 5571 1 838 . 1 1 71 71 PHE CZ C 13 128.7 0.1 . 1 . . . . . . . . 5571 1 839 . 1 1 71 71 PHE N N 15 120 0.1 . 1 . . . . . . . . 5571 1 840 . 1 1 72 72 ILE H H 1 7.16 0.02 . 1 . . . . . . . . 5571 1 841 . 1 1 72 72 ILE HA H 1 3.67 0.02 . 1 . . . . . . . . 5571 1 842 . 1 1 72 72 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 5571 1 843 . 1 1 72 72 ILE HG12 H 1 1.68 0.02 . 2 . . . . . . . . 5571 1 844 . 1 1 72 72 ILE HG13 H 1 0.9 0.02 . 2 . . . . . . . . 5571 1 845 . 1 1 72 72 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5571 1 846 . 1 1 72 72 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5571 1 847 . 1 1 72 72 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5571 1 848 . 1 1 72 72 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 5571 1 849 . 1 1 72 72 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 5571 1 850 . 1 1 72 72 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 5571 1 851 . 1 1 72 72 ILE C C 13 173.9 0.1 . 1 . . . . . . . . 5571 1 852 . 1 1 72 72 ILE CA C 13 68.6 0.1 . 1 . . . . . . . . 5571 1 853 . 1 1 72 72 ILE CB C 13 36.3 0.1 . 1 . . . . . . . . 5571 1 854 . 1 1 72 72 ILE CG1 C 13 30.7 0.1 . 1 . . . . . . . . 5571 1 855 . 1 1 72 72 ILE CG2 C 13 17 0.1 . 1 . . . . . . . . 5571 1 856 . 1 1 72 72 ILE CD1 C 13 13.5 0.1 . 1 . . . . . . . . 5571 1 857 . 1 1 72 72 ILE N N 15 117.9 0.1 . 1 . . . . . . . . 5571 1 858 . 1 1 73 73 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 5571 1 859 . 1 1 73 73 PRO HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5571 1 860 . 1 1 73 73 PRO HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5571 1 861 . 1 1 73 73 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 5571 1 862 . 1 1 73 73 PRO HG3 H 1 1.92 0.02 . 2 . . . . . . . . 5571 1 863 . 1 1 73 73 PRO HD2 H 1 3.62 0.02 . 2 . . . . . . . . 5571 1 864 . 1 1 73 73 PRO HD3 H 1 3.53 0.02 . 2 . . . . . . . . 5571 1 865 . 1 1 73 73 PRO C C 13 179.4 0.1 . 1 . . . . . . . . 5571 1 866 . 1 1 73 73 PRO CA C 13 65.8 0.1 . 1 . . . . . . . . 5571 1 867 . 1 1 73 73 PRO CB C 13 30.7 0.1 . 1 . . . . . . . . 5571 1 868 . 1 1 73 73 PRO CG C 13 28.3 0.1 . 1 . . . . . . . . 5571 1 869 . 1 1 73 73 PRO CD C 13 49.4 0.1 . 1 . . . . . . . . 5571 1 870 . 1 1 73 73 PRO N N 15 133.8 0.1 . 1 . . . . . . . . 5571 1 871 . 1 1 74 74 LEU H H 1 6.85 0.02 . 1 . . . . . . . . 5571 1 872 . 1 1 74 74 LEU HA H 1 3.78 0.02 . 1 . . . . . . . . 5571 1 873 . 1 1 74 74 LEU HB2 H 1 1.2 0.02 . 2 . . . . . . . . 5571 1 874 . 1 1 74 74 LEU HB3 H 1 1.1 0.02 . 2 . . . . . . . . 5571 1 875 . 1 1 74 74 LEU HG H 1 1.02 0.02 . 1 . . . . . . . . 5571 1 876 . 1 1 74 74 LEU HD11 H 1 0.24 0.02 . 2 . . . . . . . . 5571 1 877 . 1 1 74 74 LEU HD12 H 1 0.24 0.02 . 2 . . . . . . . . 5571 1 878 . 1 1 74 74 LEU HD13 H 1 0.24 0.02 . 2 . . . . . . . . 5571 1 879 . 1 1 74 74 LEU HD21 H 1 0.51 0.02 . 2 . . . . . . . . 5571 1 880 . 1 1 74 74 LEU HD22 H 1 0.51 0.02 . 2 . . . . . . . . 5571 1 881 . 1 1 74 74 LEU HD23 H 1 0.51 0.02 . 2 . . . . . . . . 5571 1 882 . 1 1 74 74 LEU C C 13 177.7 0.1 . 1 . . . . . . . . 5571 1 883 . 1 1 74 74 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 5571 1 884 . 1 1 74 74 LEU CB C 13 40.4 0.1 . 1 . . . . . . . . 5571 1 885 . 1 1 74 74 LEU CG C 13 27 0.1 . 1 . . . . . . . . 5571 1 886 . 1 1 74 74 LEU CD1 C 13 26.2 0.1 . 2 . . . . . . . . 5571 1 887 . 1 1 74 74 LEU CD2 C 13 23.2 0.1 . 2 . . . . . . . . 5571 1 888 . 1 1 74 74 LEU N N 15 118.2 0.1 . 1 . . . . . . . . 5571 1 889 . 1 1 75 75 PHE H H 1 8.26 0.02 . 1 . . . . . . . . 5571 1 890 . 1 1 75 75 PHE HA H 1 3.93 0.02 . 1 . . . . . . . . 5571 1 891 . 1 1 75 75 PHE HB2 H 1 3.43 0.02 . 2 . . . . . . . . 5571 1 892 . 1 1 75 75 PHE HB3 H 1 3.01 0.02 . 2 . . . . . . . . 5571 1 893 . 1 1 75 75 PHE HD1 H 1 7.25 0.02 . 2 . . . . . . . . 5571 1 894 . 1 1 75 75 PHE HD2 H 1 7.31 0.02 . 2 . . . . . . . . 5571 1 895 . 1 1 75 75 PHE HZ H 1 7.36 0.02 . 1 . . . . . . . . 5571 1 896 . 1 1 75 75 PHE C C 13 179.3 0.1 . 1 . . . . . . . . 5571 1 897 . 1 1 75 75 PHE CA C 13 62 0.1 . 1 . . . . . . . . 5571 1 898 . 1 1 75 75 PHE CB C 13 40.1 0.1 . 1 . . . . . . . . 5571 1 899 . 1 1 75 75 PHE CG C 13 138.2 0.1 . 1 . . . . . . . . 5571 1 900 . 1 1 75 75 PHE CD1 C 13 132.1 0.1 . 2 . . . . . . . . 5571 1 901 . 1 1 75 75 PHE CD2 C 13 131.5 0.1 . 2 . . . . . . . . 5571 1 902 . 1 1 75 75 PHE CZ C 13 130.2 0.1 . 1 . . . . . . . . 5571 1 903 . 1 1 75 75 PHE N N 15 118.7 0.1 . 1 . . . . . . . . 5571 1 904 . 1 1 76 76 ASP H H 1 8.95 0.02 . 1 . . . . . . . . 5571 1 905 . 1 1 76 76 ASP HA H 1 4.31 0.02 . 1 . . . . . . . . 5571 1 906 . 1 1 76 76 ASP HB2 H 1 2.72 0.02 . 1 . . . . . . . . 5571 1 907 . 1 1 76 76 ASP HB3 H 1 2.72 0.02 . 1 . . . . . . . . 5571 1 908 . 1 1 76 76 ASP C C 13 176.8 0.1 . 1 . . . . . . . . 5571 1 909 . 1 1 76 76 ASP CA C 13 56.9 0.1 . 1 . . . . . . . . 5571 1 910 . 1 1 76 76 ASP CB C 13 40.2 0.1 . 1 . . . . . . . . 5571 1 911 . 1 1 76 76 ASP CG C 13 178 0.1 . 1 . . . . . . . . 5571 1 912 . 1 1 76 76 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 5571 1 913 . 1 1 77 77 SER H H 1 7.38 0.02 . 1 . . . . . . . . 5571 1 914 . 1 1 77 77 SER HA H 1 4.86 0.02 . 1 . . . . . . . . 5571 1 915 . 1 1 77 77 SER HB2 H 1 4 0.02 . 2 . . . . . . . . 5571 1 916 . 1 1 77 77 SER HB3 H 1 3.53 0.02 . 2 . . . . . . . . 5571 1 917 . 1 1 77 77 SER C C 13 175.9 0.1 . 1 . . . . . . . . 5571 1 918 . 1 1 77 77 SER CA C 13 57.2 0.1 . 1 . . . . . . . . 5571 1 919 . 1 1 77 77 SER CB C 13 63.6 0.1 . 1 . . . . . . . . 5571 1 920 . 1 1 77 77 SER N N 15 113.1 0.1 . 1 . . . . . . . . 5571 1 921 . 1 1 78 78 LEU H H 1 7.09 0.02 . 1 . . . . . . . . 5571 1 922 . 1 1 78 78 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 5571 1 923 . 1 1 78 78 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5571 1 924 . 1 1 78 78 LEU HB3 H 1 1.2 0.02 . 2 . . . . . . . . 5571 1 925 . 1 1 78 78 LEU HG H 1 2.04 0.02 . 1 . . . . . . . . 5571 1 926 . 1 1 78 78 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 5571 1 927 . 1 1 78 78 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 5571 1 928 . 1 1 78 78 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 5571 1 929 . 1 1 78 78 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 930 . 1 1 78 78 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 931 . 1 1 78 78 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 932 . 1 1 78 78 LEU C C 13 178.8 0.1 . 1 . . . . . . . . 5571 1 933 . 1 1 78 78 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 5571 1 934 . 1 1 78 78 LEU CB C 13 42.7 0.1 . 1 . . . . . . . . 5571 1 935 . 1 1 78 78 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 5571 1 936 . 1 1 78 78 LEU CD1 C 13 24.5 0.1 . 1 . . . . . . . . 5571 1 937 . 1 1 78 78 LEU CD2 C 13 24.5 0.1 . 1 . . . . . . . . 5571 1 938 . 1 1 78 78 LEU N N 15 122.7 0.1 . 1 . . . . . . . . 5571 1 939 . 1 1 79 79 GLU H H 1 10.27 0.02 . 1 . . . . . . . . 5571 1 940 . 1 1 79 79 GLU HA H 1 4.01 0.02 . 1 . . . . . . . . 5571 1 941 . 1 1 79 79 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5571 1 942 . 1 1 79 79 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5571 1 943 . 1 1 79 79 GLU HG2 H 1 2.43 0.02 . 2 . . . . . . . . 5571 1 944 . 1 1 79 79 GLU HG3 H 1 2.32 0.02 . 2 . . . . . . . . 5571 1 945 . 1 1 79 79 GLU C C 13 177.1 0.1 . 1 . . . . . . . . 5571 1 946 . 1 1 79 79 GLU CA C 13 59.8 0.1 . 1 . . . . . . . . 5571 1 947 . 1 1 79 79 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5571 1 948 . 1 1 79 79 GLU CG C 13 36.8 0.1 . 1 . . . . . . . . 5571 1 949 . 1 1 79 79 GLU CD C 13 183.6 0.1 . 1 . . . . . . . . 5571 1 950 . 1 1 79 79 GLU N N 15 120.5 0.1 . 1 . . . . . . . . 5571 1 951 . 1 1 80 80 GLU H H 1 8.06 0.02 . 1 . . . . . . . . 5571 1 952 . 1 1 80 80 GLU HA H 1 4.53 0.02 . 1 . . . . . . . . 5571 1 953 . 1 1 80 80 GLU HB2 H 1 2.29 0.02 . 2 . . . . . . . . 5571 1 954 . 1 1 80 80 GLU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5571 1 955 . 1 1 80 80 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 5571 1 956 . 1 1 80 80 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 5571 1 957 . 1 1 80 80 GLU C C 13 178.3 0.1 . 1 . . . . . . . . 5571 1 958 . 1 1 80 80 GLU CA C 13 56.3 0.1 . 1 . . . . . . . . 5571 1 959 . 1 1 80 80 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5571 1 960 . 1 1 80 80 GLU CG C 13 36 0.1 . 1 . . . . . . . . 5571 1 961 . 1 1 80 80 GLU CD C 13 183.9 0.1 . 1 . . . . . . . . 5571 1 962 . 1 1 80 80 GLU N N 15 116.8 0.1 . 1 . . . . . . . . 5571 1 963 . 1 1 81 81 THR H H 1 7.29 0.02 . 1 . . . . . . . . 5571 1 964 . 1 1 81 81 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 5571 1 965 . 1 1 81 81 THR HB H 1 2.53 0.02 . 1 . . . . . . . . 5571 1 966 . 1 1 81 81 THR HG1 H 1 4.4 0.02 . 2 . . . . . . . . 5571 1 967 . 1 1 81 81 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5571 1 968 . 1 1 81 81 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5571 1 969 . 1 1 81 81 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5571 1 970 . 1 1 81 81 THR C C 13 175.2 0.1 . 1 . . . . . . . . 5571 1 971 . 1 1 81 81 THR CA C 13 63.6 0.1 . 1 . . . . . . . . 5571 1 972 . 1 1 81 81 THR CB C 13 70.8 0.1 . 1 . . . . . . . . 5571 1 973 . 1 1 81 81 THR CG2 C 13 22.6 0.1 . 1 . . . . . . . . 5571 1 974 . 1 1 81 81 THR N N 15 109.2 0.1 . 1 . . . . . . . . 5571 1 975 . 1 1 82 82 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 5571 1 976 . 1 1 82 82 GLY HA2 H 1 4.26 0.02 . 2 . . . . . . . . 5571 1 977 . 1 1 82 82 GLY HA3 H 1 3.9 0.02 . 2 . . . . . . . . 5571 1 978 . 1 1 82 82 GLY C C 13 175.6 0.1 . 1 . . . . . . . . 5571 1 979 . 1 1 82 82 GLY CA C 13 46.3 0.1 . 1 . . . . . . . . 5571 1 980 . 1 1 82 82 GLY N N 15 108.6 0.1 . 1 . . . . . . . . 5571 1 981 . 1 1 83 83 ALA H H 1 8.36 0.02 . 1 . . . . . . . . 5571 1 982 . 1 1 83 83 ALA HA H 1 4 0.02 . 1 . . . . . . . . 5571 1 983 . 1 1 83 83 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5571 1 984 . 1 1 83 83 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5571 1 985 . 1 1 83 83 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5571 1 986 . 1 1 83 83 ALA C C 13 177.1 0.1 . 1 . . . . . . . . 5571 1 987 . 1 1 83 83 ALA CA C 13 54 0.1 . 1 . . . . . . . . 5571 1 988 . 1 1 83 83 ALA CB C 13 19 0.1 . 1 . . . . . . . . 5571 1 989 . 1 1 83 83 ALA N N 15 122 0.1 . 1 . . . . . . . . 5571 1 990 . 1 1 84 84 GLN H H 1 8.06 0.02 . 1 . . . . . . . . 5571 1 991 . 1 1 84 84 GLN HA H 1 3.69 0.02 . 1 . . . . . . . . 5571 1 992 . 1 1 84 84 GLN HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5571 1 993 . 1 1 84 84 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5571 1 994 . 1 1 84 84 GLN HG2 H 1 2.54 0.02 . 2 . . . . . . . . 5571 1 995 . 1 1 84 84 GLN HG3 H 1 2.43 0.02 . 2 . . . . . . . . 5571 1 996 . 1 1 84 84 GLN HE21 H 1 7.57 0.02 . 2 . . . . . . . . 5571 1 997 . 1 1 84 84 GLN HE22 H 1 6.92 0.02 . 2 . . . . . . . . 5571 1 998 . 1 1 84 84 GLN C C 13 177.8 0.1 . 1 . . . . . . . . 5571 1 999 . 1 1 84 84 GLN CA C 13 58.7 0.1 . 1 . . . . . . . . 5571 1 1000 . 1 1 84 84 GLN CB C 13 27.7 0.1 . 1 . . . . . . . . 5571 1 1001 . 1 1 84 84 GLN CG C 13 33.8 0.1 . 1 . . . . . . . . 5571 1 1002 . 1 1 84 84 GLN CD C 13 180.4 0.1 . 1 . . . . . . . . 5571 1 1003 . 1 1 84 84 GLN N N 15 117.2 0.1 . 1 . . . . . . . . 5571 1 1004 . 1 1 84 84 GLN NE2 N 15 111.3 0.1 . 1 . . . . . . . . 5571 1 1005 . 1 1 85 85 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 5571 1 1006 . 1 1 85 85 GLY HA2 H 1 4.16 0.02 . 2 . . . . . . . . 5571 1 1007 . 1 1 85 85 GLY HA3 H 1 3.8 0.02 . 2 . . . . . . . . 5571 1 1008 . 1 1 85 85 GLY C C 13 172.8 0.1 . 1 . . . . . . . . 5571 1 1009 . 1 1 85 85 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 5571 1 1010 . 1 1 85 85 GLY N N 15 114.6 0.1 . 1 . . . . . . . . 5571 1 1011 . 1 1 86 86 ARG H H 1 8.06 0.02 . 1 . . . . . . . . 5571 1 1012 . 1 1 86 86 ARG HA H 1 4.4 0.02 . 1 . . . . . . . . 5571 1 1013 . 1 1 86 86 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5571 1 1014 . 1 1 86 86 ARG HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5571 1 1015 . 1 1 86 86 ARG HG2 H 1 1.85 0.02 . 2 . . . . . . . . 5571 1 1016 . 1 1 86 86 ARG HG3 H 1 1.51 0.02 . 2 . . . . . . . . 5571 1 1017 . 1 1 86 86 ARG HD2 H 1 3.63 0.02 . 2 . . . . . . . . 5571 1 1018 . 1 1 86 86 ARG HD3 H 1 3.16 0.02 . 2 . . . . . . . . 5571 1 1019 . 1 1 86 86 ARG HE H 1 6.78 0.02 . 1 . . . . . . . . 5571 1 1020 . 1 1 86 86 ARG C C 13 175.1 0.1 . 1 . . . . . . . . 5571 1 1021 . 1 1 86 86 ARG CA C 13 53.5 0.1 . 1 . . . . . . . . 5571 1 1022 . 1 1 86 86 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5571 1 1023 . 1 1 86 86 ARG CG C 13 25.9 0.1 . 1 . . . . . . . . 5571 1 1024 . 1 1 86 86 ARG CD C 13 41.6 0.1 . 1 . . . . . . . . 5571 1 1025 . 1 1 86 86 ARG CZ C 13 160.2 0.1 . 1 . . . . . . . . 5571 1 1026 . 1 1 86 86 ARG N N 15 122.8 0.1 . 1 . . . . . . . . 5571 1 1027 . 1 1 86 86 ARG NE N 15 83.2 0.1 . 1 . . . . . . . . 5571 1 1028 . 1 1 86 86 ARG NH1 N 15 72.8 0.1 . 1 . . . . . . . . 5571 1 1029 . 1 1 87 87 LYS H H 1 8.62 0.02 . 1 . . . . . . . . 5571 1 1030 . 1 1 87 87 LYS HA H 1 5 0.02 . 1 . . . . . . . . 5571 1 1031 . 1 1 87 87 LYS HB2 H 1 2.39 0.02 . 2 . . . . . . . . 5571 1 1032 . 1 1 87 87 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5571 1 1033 . 1 1 87 87 LYS HG2 H 1 1.73 0.02 . 2 . . . . . . . . 5571 1 1034 . 1 1 87 87 LYS HG3 H 1 1.45 0.02 . 2 . . . . . . . . 5571 1 1035 . 1 1 87 87 LYS HD2 H 1 1.75 0.02 . 2 . . . . . . . . 5571 1 1036 . 1 1 87 87 LYS HD3 H 1 1.73 0.02 . 2 . . . . . . . . 5571 1 1037 . 1 1 87 87 LYS HE2 H 1 3.13 0.02 . 1 . . . . . . . . 5571 1 1038 . 1 1 87 87 LYS HE3 H 1 3.13 0.02 . 1 . . . . . . . . 5571 1 1039 . 1 1 87 87 LYS C C 13 175.6 0.1 . 1 . . . . . . . . 5571 1 1040 . 1 1 87 87 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 5571 1 1041 . 1 1 87 87 LYS CB C 13 31.8 0.1 . 1 . . . . . . . . 5571 1 1042 . 1 1 87 87 LYS CG C 13 26 0.1 . 1 . . . . . . . . 5571 1 1043 . 1 1 87 87 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5571 1 1044 . 1 1 87 87 LYS CE C 13 42.3 0.1 . 1 . . . . . . . . 5571 1 1045 . 1 1 87 87 LYS N N 15 126.2 0.1 . 1 . . . . . . . . 5571 1 1046 . 1 1 88 88 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 5571 1 1047 . 1 1 88 88 VAL HA H 1 6.05 0.02 . 1 . . . . . . . . 5571 1 1048 . 1 1 88 88 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . 5571 1 1049 . 1 1 88 88 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 5571 1 1050 . 1 1 88 88 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 5571 1 1051 . 1 1 88 88 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 5571 1 1052 . 1 1 88 88 VAL HG21 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 1053 . 1 1 88 88 VAL HG22 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 1054 . 1 1 88 88 VAL HG23 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 1055 . 1 1 88 88 VAL C C 13 174.8 0.1 . 1 . . . . . . . . 5571 1 1056 . 1 1 88 88 VAL CA C 13 58.1 0.1 . 1 . . . . . . . . 5571 1 1057 . 1 1 88 88 VAL CB C 13 36.6 0.1 . 1 . . . . . . . . 5571 1 1058 . 1 1 88 88 VAL CG1 C 13 21.7 0.1 . 1 . . . . . . . . 5571 1 1059 . 1 1 88 88 VAL CG2 C 13 21.7 0.1 . 1 . . . . . . . . 5571 1 1060 . 1 1 88 88 VAL N N 15 119.9 0.1 . 1 . . . . . . . . 5571 1 1061 . 1 1 89 89 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 5571 1 1062 . 1 1 89 89 ALA HA H 1 4.97 0.02 . 1 . . . . . . . . 5571 1 1063 . 1 1 89 89 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 5571 1 1064 . 1 1 89 89 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5571 1 1065 . 1 1 89 89 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5571 1 1066 . 1 1 89 89 ALA C C 13 176.3 0.1 . 1 . . . . . . . . 5571 1 1067 . 1 1 89 89 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . 5571 1 1068 . 1 1 89 89 ALA CB C 13 23.2 0.1 . 1 . . . . . . . . 5571 1 1069 . 1 1 89 89 ALA N N 15 121.2 0.1 . 1 . . . . . . . . 5571 1 1070 . 1 1 90 90 CYS H H 1 10.08 0.02 . 1 . . . . . . . . 5571 1 1071 . 1 1 90 90 CYS HA H 1 6.05 0.02 . 1 . . . . . . . . 5571 1 1072 . 1 1 90 90 CYS HB2 H 1 2.91 0.02 . 2 . . . . . . . . 5571 1 1073 . 1 1 90 90 CYS HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5571 1 1074 . 1 1 90 90 CYS HG H 1 1.48 0.02 . 1 . . . . . . . . 5571 1 1075 . 1 1 90 90 CYS C C 13 172.2 0.1 . 1 . . . . . . . . 5571 1 1076 . 1 1 90 90 CYS CA C 13 57.5 0.1 . 1 . . . . . . . . 5571 1 1077 . 1 1 90 90 CYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5571 1 1078 . 1 1 90 90 CYS N N 15 118.1 0.1 . 1 . . . . . . . . 5571 1 1079 . 1 1 91 91 PHE H H 1 8.85 0.02 . 1 . . . . . . . . 5571 1 1080 . 1 1 91 91 PHE HA H 1 5.55 0.02 . 1 . . . . . . . . 5571 1 1081 . 1 1 91 91 PHE HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5571 1 1082 . 1 1 91 91 PHE HB3 H 1 2.31 0.02 . 2 . . . . . . . . 5571 1 1083 . 1 1 91 91 PHE HD1 H 1 6.77 0.02 . 1 . . . . . . . . 5571 1 1084 . 1 1 91 91 PHE HE1 H 1 7.07 0.02 . 1 . . . . . . . . 5571 1 1085 . 1 1 91 91 PHE HZ H 1 6.85 0.1 . 1 . . . . . . . . 5571 1 1086 . 1 1 91 91 PHE C C 13 173.9 0.1 . 1 . . . . . . . . 5571 1 1087 . 1 1 91 91 PHE CA C 13 54.5 0.1 . 1 . . . . . . . . 5571 1 1088 . 1 1 91 91 PHE CB C 13 43.8 0.1 . 1 . . . . . . . . 5571 1 1089 . 1 1 91 91 PHE CG C 13 139.7 0.1 . 1 . . . . . . . . 5571 1 1090 . 1 1 91 91 PHE CD1 C 13 132.6 0.1 . 1 . . . . . . . . 5571 1 1091 . 1 1 91 91 PHE CE1 C 13 130.3 0.1 . 1 . . . . . . . . 5571 1 1092 . 1 1 91 91 PHE CZ C 13 128.1 0.1 . 1 . . . . . . . . 5571 1 1093 . 1 1 91 91 PHE N N 15 114.4 0.1 . 1 . . . . . . . . 5571 1 1094 . 1 1 92 92 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 5571 1 1095 . 1 1 92 92 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 5571 1 1096 . 1 1 92 92 GLY HA3 H 1 3.57 0.02 . 2 . . . . . . . . 5571 1 1097 . 1 1 92 92 GLY C C 13 170.2 0.1 . 1 . . . . . . . . 5571 1 1098 . 1 1 92 92 GLY CA C 13 46.6 0.1 . 1 . . . . . . . . 5571 1 1099 . 1 1 92 92 GLY N N 15 102.5 0.1 . 1 . . . . . . . . 5571 1 1100 . 1 1 93 93 CYS H H 1 5.66 0.02 . 1 . . . . . . . . 5571 1 1101 . 1 1 93 93 CYS HA H 1 5.11 0.02 . 1 . . . . . . . . 5571 1 1102 . 1 1 93 93 CYS HB2 H 1 3.93 0.02 . 2 . . . . . . . . 5571 1 1103 . 1 1 93 93 CYS HB3 H 1 2.6 0.02 . 2 . . . . . . . . 5571 1 1104 . 1 1 93 93 CYS HG H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 1105 . 1 1 93 93 CYS C C 13 175.2 0.1 . 1 . . . . . . . . 5571 1 1106 . 1 1 93 93 CYS CA C 13 58.7 0.1 . 1 . . . . . . . . 5571 1 1107 . 1 1 93 93 CYS CB C 13 29.5 0.1 . 1 . . . . . . . . 5571 1 1108 . 1 1 93 93 CYS N N 15 114.4 0.1 . 1 . . . . . . . . 5571 1 1109 . 1 1 94 94 GLY H H 1 8.93 0.02 . 1 . . . . . . . . 5571 1 1110 . 1 1 94 94 GLY HA2 H 1 5.23 0.02 . 2 . . . . . . . . 5571 1 1111 . 1 1 94 94 GLY HA3 H 1 4.41 0.02 . 2 . . . . . . . . 5571 1 1112 . 1 1 94 94 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5571 1 1113 . 1 1 94 94 GLY CA C 13 46.3 0.1 . 1 . . . . . . . . 5571 1 1114 . 1 1 94 94 GLY N N 15 112.7 0.1 . 1 . . . . . . . . 5571 1 1115 . 1 1 95 95 ASP H H 1 9.55 0.02 . 1 . . . . . . . . 5571 1 1116 . 1 1 95 95 ASP HA H 1 5.67 0.02 . 1 . . . . . . . . 5571 1 1117 . 1 1 95 95 ASP HB2 H 1 3.03 0.02 . 1 . . . . . . . . 5571 1 1118 . 1 1 95 95 ASP HB3 H 1 3.03 0.02 . 1 . . . . . . . . 5571 1 1119 . 1 1 95 95 ASP C C 13 176.3 0.1 . 1 . . . . . . . . 5571 1 1120 . 1 1 95 95 ASP CA C 13 53.8 0.1 . 1 . . . . . . . . 5571 1 1121 . 1 1 95 95 ASP CB C 13 43.9 0.1 . 1 . . . . . . . . 5571 1 1122 . 1 1 95 95 ASP CG C 13 179.9 0.1 . 1 . . . . . . . . 5571 1 1123 . 1 1 95 95 ASP N N 15 124.5 0.1 . 1 . . . . . . . . 5571 1 1124 . 1 1 96 96 SER H H 1 9.27 0.02 . 1 . . . . . . . . 5571 1 1125 . 1 1 96 96 SER HA H 1 3.83 0.02 . 1 . . . . . . . . 5571 1 1126 . 1 1 96 96 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 5571 1 1127 . 1 1 96 96 SER HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5571 1 1128 . 1 1 96 96 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5571 1 1129 . 1 1 96 96 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 5571 1 1130 . 1 1 96 96 SER CB C 13 61.4 0.1 . 1 . . . . . . . . 5571 1 1131 . 1 1 96 96 SER N N 15 123.8 0.1 . 1 . . . . . . . . 5571 1 1132 . 1 1 97 97 SER H H 1 9.15 0.02 . 1 . . . . . . . . 5571 1 1133 . 1 1 97 97 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 5571 1 1134 . 1 1 97 97 SER HB2 H 1 3.62 0.02 . 2 . . . . . . . . 5571 1 1135 . 1 1 97 97 SER HB3 H 1 3.52 0.02 . 2 . . . . . . . . 5571 1 1136 . 1 1 97 97 SER C C 13 174.9 0.1 . 1 . . . . . . . . 5571 1 1137 . 1 1 97 97 SER CA C 13 60.4 0.1 . 1 . . . . . . . . 5571 1 1138 . 1 1 97 97 SER CB C 13 62.7 0.1 . 1 . . . . . . . . 5571 1 1139 . 1 1 97 97 SER N N 15 119.1 0.1 . 1 . . . . . . . . 5571 1 1140 . 1 1 98 98 TYR H H 1 7.69 0.02 . 1 . . . . . . . . 5571 1 1141 . 1 1 98 98 TYR HA H 1 4.06 0.02 . 1 . . . . . . . . 5571 1 1142 . 1 1 98 98 TYR HB2 H 1 3.06 0.02 . 2 . . . . . . . . 5571 1 1143 . 1 1 98 98 TYR HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5571 1 1144 . 1 1 98 98 TYR HD1 H 1 6.98 0.02 . 1 . . . . . . . . 5571 1 1145 . 1 1 98 98 TYR HE1 H 1 6 0.1 . 1 . . . . . . . . 5571 1 1146 . 1 1 98 98 TYR C C 13 175 0.1 . 1 . . . . . . . . 5571 1 1147 . 1 1 98 98 TYR CA C 13 58.3 0.1 . 1 . . . . . . . . 5571 1 1148 . 1 1 98 98 TYR CB C 13 38.1 0.1 . 1 . . . . . . . . 5571 1 1149 . 1 1 98 98 TYR CG C 13 130.4 0.1 . 1 . . . . . . . . 5571 1 1150 . 1 1 98 98 TYR CD1 C 13 133.4 0.1 . 1 . . . . . . . . 5571 1 1151 . 1 1 98 98 TYR CE1 C 13 116.1 0.1 . 1 . . . . . . . . 5571 1 1152 . 1 1 98 98 TYR N N 15 121.4 0.1 . 1 . . . . . . . . 5571 1 1153 . 1 1 99 99 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 5571 1 1154 . 1 1 99 99 GLU HA H 1 3.78 0.02 . 1 . . . . . . . . 5571 1 1155 . 1 1 99 99 GLU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5571 1 1156 . 1 1 99 99 GLU HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5571 1 1157 . 1 1 99 99 GLU HG2 H 1 1.88 0.02 . 2 . . . . . . . . 5571 1 1158 . 1 1 99 99 GLU HG3 H 1 1.67 0.02 . 2 . . . . . . . . 5571 1 1159 . 1 1 99 99 GLU C C 13 177.2 0.1 . 1 . . . . . . . . 5571 1 1160 . 1 1 99 99 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 5571 1 1161 . 1 1 99 99 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5571 1 1162 . 1 1 99 99 GLU CG C 13 35.2 0.1 . 1 . . . . . . . . 5571 1 1163 . 1 1 99 99 GLU CD C 13 182.9 0.1 . 1 . . . . . . . . 5571 1 1164 . 1 1 99 99 GLU N N 15 120.3 0.1 . 1 . . . . . . . . 5571 1 1165 . 1 1 100 100 TYR H H 1 8.49 0.02 . 1 . . . . . . . . 5571 1 1166 . 1 1 100 100 TYR HA H 1 4.86 0.02 . 1 . . . . . . . . 5571 1 1167 . 1 1 100 100 TYR HB2 H 1 3.24 0.02 . 2 . . . . . . . . 5571 1 1168 . 1 1 100 100 TYR HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5571 1 1169 . 1 1 100 100 TYR HD1 H 1 7.21 0.02 . 1 . . . . . . . . 5571 1 1170 . 1 1 100 100 TYR HE1 H 1 6.81 0.02 . 1 . . . . . . . . 5571 1 1171 . 1 1 100 100 TYR C C 13 178.2 0.1 . 1 . . . . . . . . 5571 1 1172 . 1 1 100 100 TYR CA C 13 55.4 0.1 . 1 . . . . . . . . 5571 1 1173 . 1 1 100 100 TYR CB C 13 36 0.1 . 1 . . . . . . . . 5571 1 1174 . 1 1 100 100 TYR CG C 13 131.4 0.1 . 1 . . . . . . . . 5571 1 1175 . 1 1 100 100 TYR CD1 C 13 133.5 0.1 . 1 . . . . . . . . 5571 1 1176 . 1 1 100 100 TYR CE1 C 13 118 0.1 . 1 . . . . . . . . 5571 1 1177 . 1 1 100 100 TYR CZ C 13 161.5 0.1 . 1 . . . . . . . . 5571 1 1178 . 1 1 100 100 TYR N N 15 117.4 0.1 . 1 . . . . . . . . 5571 1 1179 . 1 1 101 101 PHE H H 1 8.44 0.02 . 1 . . . . . . . . 5571 1 1180 . 1 1 101 101 PHE HA H 1 4.97 0.02 . 1 . . . . . . . . 5571 1 1181 . 1 1 101 101 PHE HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5571 1 1182 . 1 1 101 101 PHE HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5571 1 1183 . 1 1 101 101 PHE HD1 H 1 7.16 0.02 . 1 . . . . . . . . 5571 1 1184 . 1 1 101 101 PHE HE1 H 1 7.21 0.02 . 1 . . . . . . . . 5571 1 1185 . 1 1 101 101 PHE HZ H 1 6.92 0.1 . 1 . . . . . . . . 5571 1 1186 . 1 1 101 101 PHE C C 13 176.3 0.1 . 1 . . . . . . . . 5571 1 1187 . 1 1 101 101 PHE CA C 13 57.1 0.1 . 1 . . . . . . . . 5571 1 1188 . 1 1 101 101 PHE CB C 13 38.3 0.1 . 1 . . . . . . . . 5571 1 1189 . 1 1 101 101 PHE CG C 13 138.4 0.1 . 1 . . . . . . . . 5571 1 1190 . 1 1 101 101 PHE CD1 C 13 132 0.1 . 1 . . . . . . . . 5571 1 1191 . 1 1 101 101 PHE CE1 C 13 131.2 0.1 . 1 . . . . . . . . 5571 1 1192 . 1 1 101 101 PHE CZ C 13 130 0.1 . 1 . . . . . . . . 5571 1 1193 . 1 1 101 101 PHE N N 15 128 0.1 . 1 . . . . . . . . 5571 1 1194 . 1 1 102 102 CYS H H 1 9.76 0.02 . 1 . . . . . . . . 5571 1 1195 . 1 1 102 102 CYS HA H 1 3.64 0.02 . 1 . . . . . . . . 5571 1 1196 . 1 1 102 102 CYS HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5571 1 1197 . 1 1 102 102 CYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5571 1 1198 . 1 1 102 102 CYS HG H 1 0.34 0.02 . 1 . . . . . . . . 5571 1 1199 . 1 1 102 102 CYS C C 13 175.6 0.1 . 1 . . . . . . . . 5571 1 1200 . 1 1 102 102 CYS CA C 13 62.3 0.1 . 1 . . . . . . . . 5571 1 1201 . 1 1 102 102 CYS CB C 13 25.3 0.1 . 1 . . . . . . . . 5571 1 1202 . 1 1 102 102 CYS N N 15 122.8 0.1 . 1 . . . . . . . . 5571 1 1203 . 1 1 103 103 GLY H H 1 7.33 0.02 . 1 . . . . . . . . 5571 1 1204 . 1 1 103 103 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 5571 1 1205 . 1 1 103 103 GLY HA3 H 1 3.37 0.02 . 2 . . . . . . . . 5571 1 1206 . 1 1 103 103 GLY C C 13 174.7 0.1 . 1 . . . . . . . . 5571 1 1207 . 1 1 103 103 GLY CA C 13 47.4 0.1 . 1 . . . . . . . . 5571 1 1208 . 1 1 103 103 GLY N N 15 102.4 0.1 . 1 . . . . . . . . 5571 1 1209 . 1 1 104 104 ALA H H 1 8.81 0.02 . 1 . . . . . . . . 5571 1 1210 . 1 1 104 104 ALA HA H 1 3.64 0.02 . 1 . . . . . . . . 5571 1 1211 . 1 1 104 104 ALA HB1 H 1 0.96 0.02 . 1 . . . . . . . . 5571 1 1212 . 1 1 104 104 ALA HB2 H 1 0.96 0.02 . 1 . . . . . . . . 5571 1 1213 . 1 1 104 104 ALA HB3 H 1 0.96 0.02 . 1 . . . . . . . . 5571 1 1214 . 1 1 104 104 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5571 1 1215 . 1 1 104 104 ALA CA C 13 55.2 0.1 . 1 . . . . . . . . 5571 1 1216 . 1 1 104 104 ALA CB C 13 20.5 0.1 . 1 . . . . . . . . 5571 1 1217 . 1 1 104 104 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 5571 1 1218 . 1 1 105 105 VAL H H 1 7.16 0.02 . 1 . . . . . . . . 5571 1 1219 . 1 1 105 105 VAL HA H 1 3.18 0.02 . 1 . . . . . . . . 5571 1 1220 . 1 1 105 105 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 5571 1 1221 . 1 1 105 105 VAL HG11 H 1 0.62 0.02 . 2 . . . . . . . . 5571 1 1222 . 1 1 105 105 VAL HG12 H 1 0.62 0.02 . 2 . . . . . . . . 5571 1 1223 . 1 1 105 105 VAL HG13 H 1 0.62 0.02 . 2 . . . . . . . . 5571 1 1224 . 1 1 105 105 VAL HG21 H 1 0.57 0.02 . 2 . . . . . . . . 5571 1 1225 . 1 1 105 105 VAL HG22 H 1 0.57 0.02 . 2 . . . . . . . . 5571 1 1226 . 1 1 105 105 VAL HG23 H 1 0.57 0.02 . 2 . . . . . . . . 5571 1 1227 . 1 1 105 105 VAL C C 13 177.3 0.1 . 1 . . . . . . . . 5571 1 1228 . 1 1 105 105 VAL CA C 13 66.6 0.1 . 1 . . . . . . . . 5571 1 1229 . 1 1 105 105 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . 5571 1 1230 . 1 1 105 105 VAL CG1 C 13 21.5 0.1 . 2 . . . . . . . . 5571 1 1231 . 1 1 105 105 VAL CG2 C 13 20.9 0.1 . 2 . . . . . . . . 5571 1 1232 . 1 1 105 105 VAL N N 15 115.3 0.1 . 1 . . . . . . . . 5571 1 1233 . 1 1 106 106 ASP H H 1 6.81 0.02 . 1 . . . . . . . . 5571 1 1234 . 1 1 106 106 ASP HA H 1 4.21 0.02 . 1 . . . . . . . . 5571 1 1235 . 1 1 106 106 ASP HB2 H 1 2.8 0.02 . 2 . . . . . . . . 5571 1 1236 . 1 1 106 106 ASP HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5571 1 1237 . 1 1 106 106 ASP C C 13 178.2 0.1 . 1 . . . . . . . . 5571 1 1238 . 1 1 106 106 ASP CA C 13 57.4 0.1 . 1 . . . . . . . . 5571 1 1239 . 1 1 106 106 ASP CB C 13 40.1 0.1 . 1 . . . . . . . . 5571 1 1240 . 1 1 106 106 ASP CG C 13 179.4 0.1 . 1 . . . . . . . . 5571 1 1241 . 1 1 106 106 ASP N N 15 116.5 0.1 . 1 . . . . . . . . 5571 1 1242 . 1 1 107 107 ALA H H 1 7.64 0.02 . 1 . . . . . . . . 5571 1 1243 . 1 1 107 107 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 5571 1 1244 . 1 1 107 107 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5571 1 1245 . 1 1 107 107 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5571 1 1246 . 1 1 107 107 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5571 1 1247 . 1 1 107 107 ALA C C 13 181.1 0.1 . 1 . . . . . . . . 5571 1 1248 . 1 1 107 107 ALA CA C 13 55 0.1 . 1 . . . . . . . . 5571 1 1249 . 1 1 107 107 ALA CB C 13 17.7 0.1 . 1 . . . . . . . . 5571 1 1250 . 1 1 107 107 ALA N N 15 120.6 0.1 . 1 . . . . . . . . 5571 1 1251 . 1 1 108 108 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 5571 1 1252 . 1 1 108 108 ILE HA H 1 3.84 0.02 . 1 . . . . . . . . 5571 1 1253 . 1 1 108 108 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 5571 1 1254 . 1 1 108 108 ILE HG12 H 1 2.01 0.02 . 2 . . . . . . . . 5571 1 1255 . 1 1 108 108 ILE HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 1256 . 1 1 108 108 ILE HG21 H 1 1.06 0.02 . 1 . . . . . . . . 5571 1 1257 . 1 1 108 108 ILE HG22 H 1 1.06 0.02 . 1 . . . . . . . . 5571 1 1258 . 1 1 108 108 ILE HG23 H 1 1.06 0.02 . 1 . . . . . . . . 5571 1 1259 . 1 1 108 108 ILE HD11 H 1 0.33 0.02 . 1 . . . . . . . . 5571 1 1260 . 1 1 108 108 ILE HD12 H 1 0.33 0.02 . 1 . . . . . . . . 5571 1 1261 . 1 1 108 108 ILE HD13 H 1 0.33 0.02 . 1 . . . . . . . . 5571 1 1262 . 1 1 108 108 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 5571 1 1263 . 1 1 108 108 ILE CA C 13 66.5 0.1 . 1 . . . . . . . . 5571 1 1264 . 1 1 108 108 ILE CB C 13 38.7 0.1 . 1 . . . . . . . . 5571 1 1265 . 1 1 108 108 ILE CG1 C 13 30.4 0.1 . 1 . . . . . . . . 5571 1 1266 . 1 1 108 108 ILE CG2 C 13 19.8 0.1 . 1 . . . . . . . . 5571 1 1267 . 1 1 108 108 ILE CD1 C 13 14.7 0.1 . 1 . . . . . . . . 5571 1 1268 . 1 1 108 108 ILE N N 15 119.7 0.1 . 1 . . . . . . . . 5571 1 1269 . 1 1 109 109 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 5571 1 1270 . 1 1 109 109 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 5571 1 1271 . 1 1 109 109 GLU HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5571 1 1272 . 1 1 109 109 GLU HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5571 1 1273 . 1 1 109 109 GLU HG2 H 1 2.78 0.02 . 2 . . . . . . . . 5571 1 1274 . 1 1 109 109 GLU HG3 H 1 2.17 0.02 . 2 . . . . . . . . 5571 1 1275 . 1 1 109 109 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 5571 1 1276 . 1 1 109 109 GLU CA C 13 61.3 0.1 . 1 . . . . . . . . 5571 1 1277 . 1 1 109 109 GLU CB C 13 30.3 0.1 . 1 . . . . . . . . 5571 1 1278 . 1 1 109 109 GLU CG C 13 38.9 0.1 . 1 . . . . . . . . 5571 1 1279 . 1 1 109 109 GLU CD C 13 182.2 0.1 . 1 . . . . . . . . 5571 1 1280 . 1 1 109 109 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 5571 1 1281 . 1 1 110 110 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 5571 1 1282 . 1 1 110 110 GLU HA H 1 4 0.02 . 1 . . . . . . . . 5571 1 1283 . 1 1 110 110 GLU HB2 H 1 2.2 0.02 . 2 . . . . . . . . 5571 1 1284 . 1 1 110 110 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5571 1 1285 . 1 1 110 110 GLU HG2 H 1 2.31 0.02 . 1 . . . . . . . . 5571 1 1286 . 1 1 110 110 GLU HG3 H 1 2.31 0.02 . 1 . . . . . . . . 5571 1 1287 . 1 1 110 110 GLU C C 13 178.5 0.1 . 1 . . . . . . . . 5571 1 1288 . 1 1 110 110 GLU CA C 13 59.5 0.1 . 1 . . . . . . . . 5571 1 1289 . 1 1 110 110 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5571 1 1290 . 1 1 110 110 GLU CG C 13 35.7 0.1 . 1 . . . . . . . . 5571 1 1291 . 1 1 110 110 GLU CD C 13 183.6 0.1 . 1 . . . . . . . . 5571 1 1292 . 1 1 110 110 GLU N N 15 117 0.1 . 1 . . . . . . . . 5571 1 1293 . 1 1 111 111 LYS H H 1 7.7 0.02 . 1 . . . . . . . . 5571 1 1294 . 1 1 111 111 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 5571 1 1295 . 1 1 111 111 LYS HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5571 1 1296 . 1 1 111 111 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5571 1 1297 . 1 1 111 111 LYS HG2 H 1 1.44 0.02 . 2 . . . . . . . . 5571 1 1298 . 1 1 111 111 LYS HG3 H 1 1.15 0.02 . 2 . . . . . . . . 5571 1 1299 . 1 1 111 111 LYS HD2 H 1 1.12 0.02 . 2 . . . . . . . . 5571 1 1300 . 1 1 111 111 LYS HD3 H 1 0.89 0.02 . 2 . . . . . . . . 5571 1 1301 . 1 1 111 111 LYS HE2 H 1 2.68 0.02 . 2 . . . . . . . . 5571 1 1302 . 1 1 111 111 LYS HE3 H 1 2.48 0.02 . 2 . . . . . . . . 5571 1 1303 . 1 1 111 111 LYS HZ1 H 1 7.46 0.02 . 1 . . . . . . . . 5571 1 1304 . 1 1 111 111 LYS HZ2 H 1 7.46 0.02 . 1 . . . . . . . . 5571 1 1305 . 1 1 111 111 LYS HZ3 H 1 7.46 0.02 . 1 . . . . . . . . 5571 1 1306 . 1 1 111 111 LYS C C 13 178.8 0.1 . 1 . . . . . . . . 5571 1 1307 . 1 1 111 111 LYS CA C 13 60.3 0.1 . 1 . . . . . . . . 5571 1 1308 . 1 1 111 111 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5571 1 1309 . 1 1 111 111 LYS CG C 13 26.3 0.1 . 1 . . . . . . . . 5571 1 1310 . 1 1 111 111 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5571 1 1311 . 1 1 111 111 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 5571 1 1312 . 1 1 111 111 LYS N N 15 119.3 0.1 . 1 . . . . . . . . 5571 1 1313 . 1 1 111 111 LYS NZ N 15 32.8 0.1 . 1 . . . . . . . . 5571 1 1314 . 1 1 112 112 LEU H H 1 8.52 0.02 . 1 . . . . . . . . 5571 1 1315 . 1 1 112 112 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 5571 1 1316 . 1 1 112 112 LEU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5571 1 1317 . 1 1 112 112 LEU HB3 H 1 1.18 0.02 . 2 . . . . . . . . 5571 1 1318 . 1 1 112 112 LEU HG H 1 1.9 0.02 . 1 . . . . . . . . 5571 1 1319 . 1 1 112 112 LEU HD11 H 1 0.81 0.02 . 2 . . . . . . . . 5571 1 1320 . 1 1 112 112 LEU HD12 H 1 0.81 0.02 . 2 . . . . . . . . 5571 1 1321 . 1 1 112 112 LEU HD13 H 1 0.81 0.02 . 2 . . . . . . . . 5571 1 1322 . 1 1 112 112 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 1323 . 1 1 112 112 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 1324 . 1 1 112 112 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 5571 1 1325 . 1 1 112 112 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 5571 1 1326 . 1 1 112 112 LEU CA C 13 58.2 0.1 . 1 . . . . . . . . 5571 1 1327 . 1 1 112 112 LEU CB C 13 41.5 0.1 . 1 . . . . . . . . 5571 1 1328 . 1 1 112 112 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 5571 1 1329 . 1 1 112 112 LEU CD1 C 13 27.8 0.1 . 2 . . . . . . . . 5571 1 1330 . 1 1 112 112 LEU CD2 C 13 22.7 0.1 . 2 . . . . . . . . 5571 1 1331 . 1 1 112 112 LEU N N 15 117.3 0.1 . 1 . . . . . . . . 5571 1 1332 . 1 1 113 113 LYS H H 1 8.5 0.02 . 1 . . . . . . . . 5571 1 1333 . 1 1 113 113 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 5571 1 1334 . 1 1 113 113 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5571 1 1335 . 1 1 113 113 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5571 1 1336 . 1 1 113 113 LYS HG2 H 1 1.73 0.02 . 2 . . . . . . . . 5571 1 1337 . 1 1 113 113 LYS HG3 H 1 1.5 0.02 . 2 . . . . . . . . 5571 1 1338 . 1 1 113 113 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 5571 1 1339 . 1 1 113 113 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 5571 1 1340 . 1 1 113 113 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 5571 1 1341 . 1 1 113 113 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 5571 1 1342 . 1 1 113 113 LYS HZ1 H 1 7.71 0.02 . 1 . . . . . . . . 5571 1 1343 . 1 1 113 113 LYS HZ2 H 1 7.71 0.02 . 1 . . . . . . . . 5571 1 1344 . 1 1 113 113 LYS HZ3 H 1 7.71 0.02 . 1 . . . . . . . . 5571 1 1345 . 1 1 113 113 LYS C C 13 181.3 0.1 . 1 . . . . . . . . 5571 1 1346 . 1 1 113 113 LYS CA C 13 60.1 0.1 . 1 . . . . . . . . 5571 1 1347 . 1 1 113 113 LYS CB C 13 32 0.1 . 1 . . . . . . . . 5571 1 1348 . 1 1 113 113 LYS CG C 13 25.7 0.1 . 1 . . . . . . . . 5571 1 1349 . 1 1 113 113 LYS CD C 13 29.4 0.1 . 1 . . . . . . . . 5571 1 1350 . 1 1 113 113 LYS CE C 13 41.8 0.1 . 1 . . . . . . . . 5571 1 1351 . 1 1 113 113 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 5571 1 1352 . 1 1 113 113 LYS NZ N 15 32.7 0.1 . 1 . . . . . . . . 5571 1 1353 . 1 1 114 114 ASN H H 1 8.02 0.02 . 1 . . . . . . . . 5571 1 1354 . 1 1 114 114 ASN HA H 1 4.55 0.02 . 1 . . . . . . . . 5571 1 1355 . 1 1 114 114 ASN HB2 H 1 3.06 0.02 . 2 . . . . . . . . 5571 1 1356 . 1 1 114 114 ASN HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5571 1 1357 . 1 1 114 114 ASN HD21 H 1 7.6 0.02 . 2 . . . . . . . . 5571 1 1358 . 1 1 114 114 ASN HD22 H 1 7.08 0.02 . 2 . . . . . . . . 5571 1 1359 . 1 1 114 114 ASN C C 13 176.9 0.1 . 1 . . . . . . . . 5571 1 1360 . 1 1 114 114 ASN CA C 13 55.8 0.1 . 1 . . . . . . . . 5571 1 1361 . 1 1 114 114 ASN CB C 13 38.1 0.1 . 1 . . . . . . . . 5571 1 1362 . 1 1 114 114 ASN CG C 13 176.2 0.1 . 1 . . . . . . . . 5571 1 1363 . 1 1 114 114 ASN N N 15 120 0.1 . 1 . . . . . . . . 5571 1 1364 . 1 1 114 114 ASN ND2 N 15 112.3 0.1 . 1 . . . . . . . . 5571 1 1365 . 1 1 115 115 LEU H H 1 7.8 0.02 . 1 . . . . . . . . 5571 1 1366 . 1 1 115 115 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 5571 1 1367 . 1 1 115 115 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5571 1 1368 . 1 1 115 115 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5571 1 1369 . 1 1 115 115 LEU HG H 1 1.99 0.02 . 1 . . . . . . . . 5571 1 1370 . 1 1 115 115 LEU HD11 H 1 0.64 0.02 . 2 . . . . . . . . 5571 1 1371 . 1 1 115 115 LEU HD12 H 1 0.64 0.02 . 2 . . . . . . . . 5571 1 1372 . 1 1 115 115 LEU HD13 H 1 0.64 0.02 . 2 . . . . . . . . 5571 1 1373 . 1 1 115 115 LEU HD21 H 1 0.88 0.02 . 2 . . . . . . . . 5571 1 1374 . 1 1 115 115 LEU HD22 H 1 0.88 0.02 . 2 . . . . . . . . 5571 1 1375 . 1 1 115 115 LEU HD23 H 1 0.88 0.02 . 2 . . . . . . . . 5571 1 1376 . 1 1 115 115 LEU C C 13 176.8 0.1 . 1 . . . . . . . . 5571 1 1377 . 1 1 115 115 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 5571 1 1378 . 1 1 115 115 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5571 1 1379 . 1 1 115 115 LEU CG C 13 26.1 0.1 . 1 . . . . . . . . 5571 1 1380 . 1 1 115 115 LEU CD1 C 13 26.4 0.1 . 2 . . . . . . . . 5571 1 1381 . 1 1 115 115 LEU CD2 C 13 23.1 0.1 . 2 . . . . . . . . 5571 1 1382 . 1 1 115 115 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 5571 1 1383 . 1 1 116 116 GLY H H 1 7.77 0.02 . 1 . . . . . . . . 5571 1 1384 . 1 1 116 116 GLY HA2 H 1 4.3 0.02 . 2 . . . . . . . . 5571 1 1385 . 1 1 116 116 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 5571 1 1386 . 1 1 116 116 GLY C C 13 176.7 0.1 . 1 . . . . . . . . 5571 1 1387 . 1 1 116 116 GLY CA C 13 45.8 0.1 . 1 . . . . . . . . 5571 1 1388 . 1 1 116 116 GLY N N 15 104.7 0.1 . 1 . . . . . . . . 5571 1 1389 . 1 1 117 117 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 5571 1 1390 . 1 1 117 117 ALA HA H 1 4.74 0.02 . 1 . . . . . . . . 5571 1 1391 . 1 1 117 117 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5571 1 1392 . 1 1 117 117 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5571 1 1393 . 1 1 117 117 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5571 1 1394 . 1 1 117 117 ALA C C 13 175.5 0.1 . 1 . . . . . . . . 5571 1 1395 . 1 1 117 117 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 5571 1 1396 . 1 1 117 117 ALA CB C 13 20.8 0.1 . 1 . . . . . . . . 5571 1 1397 . 1 1 117 117 ALA N N 15 125.8 0.1 . 1 . . . . . . . . 5571 1 1398 . 1 1 118 118 GLU H H 1 8.81 0.02 . 1 . . . . . . . . 5571 1 1399 . 1 1 118 118 GLU HA H 1 4.46 0.02 . 1 . . . . . . . . 5571 1 1400 . 1 1 118 118 GLU HB2 H 1 1.9 0.02 . 2 . . . . . . . . 5571 1 1401 . 1 1 118 118 GLU HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5571 1 1402 . 1 1 118 118 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5571 1 1403 . 1 1 118 118 GLU HG3 H 1 1.94 0.02 . 2 . . . . . . . . 5571 1 1404 . 1 1 118 118 GLU C C 13 174.3 0.1 . 1 . . . . . . . . 5571 1 1405 . 1 1 118 118 GLU CA C 13 54.7 0.1 . 1 . . . . . . . . 5571 1 1406 . 1 1 118 118 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5571 1 1407 . 1 1 118 118 GLU CG C 13 35.6 0.1 . 1 . . . . . . . . 5571 1 1408 . 1 1 118 118 GLU CD C 13 182.9 0.1 . 1 . . . . . . . . 5571 1 1409 . 1 1 118 118 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 5571 1 1410 . 1 1 119 119 ILE H H 1 8.36 0.02 . 1 . . . . . . . . 5571 1 1411 . 1 1 119 119 ILE HA H 1 4.74 0.02 . 1 . . . . . . . . 5571 1 1412 . 1 1 119 119 ILE HB H 1 1.95 0.02 . 1 . . . . . . . . 5571 1 1413 . 1 1 119 119 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 5571 1 1414 . 1 1 119 119 ILE HG13 H 1 1.25 0.02 . 2 . . . . . . . . 5571 1 1415 . 1 1 119 119 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 5571 1 1416 . 1 1 119 119 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 5571 1 1417 . 1 1 119 119 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 5571 1 1418 . 1 1 119 119 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5571 1 1419 . 1 1 119 119 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5571 1 1420 . 1 1 119 119 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5571 1 1421 . 1 1 119 119 ILE C C 13 179.5 0.1 . 1 . . . . . . . . 5571 1 1422 . 1 1 119 119 ILE CA C 13 59.8 0.1 . 1 . . . . . . . . 5571 1 1423 . 1 1 119 119 ILE CB C 13 35.4 0.1 . 1 . . . . . . . . 5571 1 1424 . 1 1 119 119 ILE CG1 C 13 27.8 0.1 . 1 . . . . . . . . 5571 1 1425 . 1 1 119 119 ILE CG2 C 13 18.4 0.1 . 1 . . . . . . . . 5571 1 1426 . 1 1 119 119 ILE CD1 C 13 12.06 0.1 . 1 . . . . . . . . 5571 1 1427 . 1 1 119 119 ILE N N 15 126.6 0.1 . 1 . . . . . . . . 5571 1 1428 . 1 1 120 120 VAL H H 1 8.83 0.02 . 1 . . . . . . . . 5571 1 1429 . 1 1 120 120 VAL HA H 1 4.11 0.02 . 1 . . . . . . . . 5571 1 1430 . 1 1 120 120 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 5571 1 1431 . 1 1 120 120 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 5571 1 1432 . 1 1 120 120 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 5571 1 1433 . 1 1 120 120 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 5571 1 1434 . 1 1 120 120 VAL HG21 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 1435 . 1 1 120 120 VAL HG22 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 1436 . 1 1 120 120 VAL HG23 H 1 0.79 0.02 . 2 . . . . . . . . 5571 1 1437 . 1 1 120 120 VAL C C 13 175.4 0.1 . 1 . . . . . . . . 5571 1 1438 . 1 1 120 120 VAL CA C 13 63.7 0.1 . 1 . . . . . . . . 5571 1 1439 . 1 1 120 120 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 5571 1 1440 . 1 1 120 120 VAL CG1 C 13 22.6 0.1 . 2 . . . . . . . . 5571 1 1441 . 1 1 120 120 VAL CG2 C 13 19.3 0.1 . 2 . . . . . . . . 5571 1 1442 . 1 1 120 120 VAL N N 15 123.6 0.1 . 1 . . . . . . . . 5571 1 1443 . 1 1 121 121 GLN H H 1 7.25 0.02 . 1 . . . . . . . . 5571 1 1444 . 1 1 121 121 GLN HA H 1 4.46 0.02 . 1 . . . . . . . . 5571 1 1445 . 1 1 121 121 GLN HB2 H 1 1.74 0.02 . 1 . . . . . . . . 5571 1 1446 . 1 1 121 121 GLN HB3 H 1 1.74 0.02 . 1 . . . . . . . . 5571 1 1447 . 1 1 121 121 GLN HG2 H 1 2.31 0.02 . 2 . . . . . . . . 5571 1 1448 . 1 1 121 121 GLN HG3 H 1 1.83 0.02 . 2 . . . . . . . . 5571 1 1449 . 1 1 121 121 GLN HE21 H 1 6.43 0.02 . 2 . . . . . . . . 5571 1 1450 . 1 1 121 121 GLN HE22 H 1 6.15 0.02 . 2 . . . . . . . . 5571 1 1451 . 1 1 121 121 GLN C C 13 173.1 0.1 . 1 . . . . . . . . 5571 1 1452 . 1 1 121 121 GLN CA C 13 54.3 0.1 . 1 . . . . . . . . 5571 1 1453 . 1 1 121 121 GLN CB C 13 32.5 0.1 . 1 . . . . . . . . 5571 1 1454 . 1 1 121 121 GLN CG C 13 32.9 0.1 . 1 . . . . . . . . 5571 1 1455 . 1 1 121 121 GLN CD C 13 178.2 0.1 . 1 . . . . . . . . 5571 1 1456 . 1 1 121 121 GLN N N 15 116.4 0.1 . 1 . . . . . . . . 5571 1 1457 . 1 1 121 121 GLN NE2 N 15 108.3 0.1 . 1 . . . . . . . . 5571 1 1458 . 1 1 122 122 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 5571 1 1459 . 1 1 122 122 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5571 1 1460 . 1 1 122 122 ASP HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5571 1 1461 . 1 1 122 122 ASP HB3 H 1 2.7 0.02 . 2 . . . . . . . . 5571 1 1462 . 1 1 122 122 ASP C C 13 177.1 0.1 . 1 . . . . . . . . 5571 1 1463 . 1 1 122 122 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 5571 1 1464 . 1 1 122 122 ASP CB C 13 41.1 0.1 . 1 . . . . . . . . 5571 1 1465 . 1 1 122 122 ASP CG C 13 179.8 0.1 . 1 . . . . . . . . 5571 1 1466 . 1 1 122 122 ASP N N 15 123 0.1 . 1 . . . . . . . . 5571 1 1467 . 1 1 123 123 GLY H H 1 8.84 0.02 . 1 . . . . . . . . 5571 1 1468 . 1 1 123 123 GLY HA2 H 1 4.82 0.02 . 2 . . . . . . . . 5571 1 1469 . 1 1 123 123 GLY HA3 H 1 3.33 0.02 . 2 . . . . . . . . 5571 1 1470 . 1 1 123 123 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5571 1 1471 . 1 1 123 123 GLY CA C 13 47 0.1 . 1 . . . . . . . . 5571 1 1472 . 1 1 123 123 GLY N N 15 112.1 0.1 . 1 . . . . . . . . 5571 1 1473 . 1 1 124 124 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 5571 1 1474 . 1 1 124 124 LEU HA H 1 4 0.02 . 1 . . . . . . . . 5571 1 1475 . 1 1 124 124 LEU HB2 H 1 0.46 0.02 . 2 . . . . . . . . 5571 1 1476 . 1 1 124 124 LEU HB3 H 1 -1.28 0.02 . 2 . . . . . . . . 5571 1 1477 . 1 1 124 124 LEU HG H 1 1.01 0.02 . 1 . . . . . . . . 5571 1 1478 . 1 1 124 124 LEU HD11 H 1 0.29 0.02 . 2 . . . . . . . . 5571 1 1479 . 1 1 124 124 LEU HD12 H 1 0.29 0.02 . 2 . . . . . . . . 5571 1 1480 . 1 1 124 124 LEU HD13 H 1 0.29 0.02 . 2 . . . . . . . . 5571 1 1481 . 1 1 124 124 LEU HD21 H 1 0.56 0.02 . 2 . . . . . . . . 5571 1 1482 . 1 1 124 124 LEU HD22 H 1 0.56 0.02 . 2 . . . . . . . . 5571 1 1483 . 1 1 124 124 LEU HD23 H 1 0.56 0.02 . 2 . . . . . . . . 5571 1 1484 . 1 1 124 124 LEU C C 13 174.2 0.1 . 1 . . . . . . . . 5571 1 1485 . 1 1 124 124 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5571 1 1486 . 1 1 124 124 LEU CB C 13 39.4 0.1 . 1 . . . . . . . . 5571 1 1487 . 1 1 124 124 LEU CG C 13 26.4 0.1 . 1 . . . . . . . . 5571 1 1488 . 1 1 124 124 LEU CD1 C 13 27 0.1 . 2 . . . . . . . . 5571 1 1489 . 1 1 124 124 LEU CD2 C 13 21.6 0.1 . 2 . . . . . . . . 5571 1 1490 . 1 1 124 124 LEU N N 15 127 0.1 . 1 . . . . . . . . 5571 1 1491 . 1 1 125 125 ARG H H 1 8.39 0.02 . 1 . . . . . . . . 5571 1 1492 . 1 1 125 125 ARG HA H 1 4.59 0.02 . 1 . . . . . . . . 5571 1 1493 . 1 1 125 125 ARG HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5571 1 1494 . 1 1 125 125 ARG HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5571 1 1495 . 1 1 125 125 ARG HG2 H 1 1.39 0.02 . 2 . . . . . . . . 5571 1 1496 . 1 1 125 125 ARG HG3 H 1 0.84 0.02 . 2 . . . . . . . . 5571 1 1497 . 1 1 125 125 ARG HD2 H 1 3.15 0.02 . 2 . . . . . . . . 5571 1 1498 . 1 1 125 125 ARG HD3 H 1 2.77 0.02 . 2 . . . . . . . . 5571 1 1499 . 1 1 125 125 ARG HE H 1 7.28 0.02 . 1 . . . . . . . . 5571 1 1500 . 1 1 125 125 ARG C C 13 174.8 0.1 . 1 . . . . . . . . 5571 1 1501 . 1 1 125 125 ARG CA C 13 54.7 0.1 . 1 . . . . . . . . 5571 1 1502 . 1 1 125 125 ARG CB C 13 31.4 0.1 . 1 . . . . . . . . 5571 1 1503 . 1 1 125 125 ARG CG C 13 28.6 0.1 . 1 . . . . . . . . 5571 1 1504 . 1 1 125 125 ARG CD C 13 43.1 0.1 . 1 . . . . . . . . 5571 1 1505 . 1 1 125 125 ARG CZ C 13 159.6 0.1 . 1 . . . . . . . . 5571 1 1506 . 1 1 125 125 ARG N N 15 128.3 0.1 . 1 . . . . . . . . 5571 1 1507 . 1 1 125 125 ARG NE N 15 85.5 0.1 . 1 . . . . . . . . 5571 1 1508 . 1 1 125 125 ARG NH1 N 15 72.5 0.1 . 2 . . . . . . . . 5571 1 1509 . 1 1 125 125 ARG NH2 N 15 71.2 0.1 . 2 . . . . . . . . 5571 1 1510 . 1 1 126 126 ILE H H 1 8.11 0.02 . 1 . . . . . . . . 5571 1 1511 . 1 1 126 126 ILE HA H 1 4.21 0.02 . 1 . . . . . . . . 5571 1 1512 . 1 1 126 126 ILE HB H 1 2.16 0.02 . 1 . . . . . . . . 5571 1 1513 . 1 1 126 126 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 5571 1 1514 . 1 1 126 126 ILE HG13 H 1 1.13 0.02 . 2 . . . . . . . . 5571 1 1515 . 1 1 126 126 ILE HG21 H 1 0.75 0.02 . 1 . . . . . . . . 5571 1 1516 . 1 1 126 126 ILE HG22 H 1 0.75 0.02 . 1 . . . . . . . . 5571 1 1517 . 1 1 126 126 ILE HG23 H 1 0.75 0.02 . 1 . . . . . . . . 5571 1 1518 . 1 1 126 126 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 5571 1 1519 . 1 1 126 126 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 5571 1 1520 . 1 1 126 126 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 5571 1 1521 . 1 1 126 126 ILE C C 13 173.8 0.1 . 1 . . . . . . . . 5571 1 1522 . 1 1 126 126 ILE CA C 13 59.4 0.1 . 1 . . . . . . . . 5571 1 1523 . 1 1 126 126 ILE CB C 13 38.7 0.1 . 1 . . . . . . . . 5571 1 1524 . 1 1 126 126 ILE CG1 C 13 27 0.1 . 1 . . . . . . . . 5571 1 1525 . 1 1 126 126 ILE CG2 C 13 17 0.1 . 1 . . . . . . . . 5571 1 1526 . 1 1 126 126 ILE CD1 C 13 12.7 0.1 . 1 . . . . . . . . 5571 1 1527 . 1 1 126 126 ILE N N 15 124.7 0.1 . 1 . . . . . . . . 5571 1 1528 . 1 1 127 127 ASP H H 1 8.97 0.02 . 1 . . . . . . . . 5571 1 1529 . 1 1 127 127 ASP HA H 1 5.11 0.02 . 1 . . . . . . . . 5571 1 1530 . 1 1 127 127 ASP HB2 H 1 2.97 0.02 . 2 . . . . . . . . 5571 1 1531 . 1 1 127 127 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5571 1 1532 . 1 1 127 127 ASP C C 13 176.6 0.1 . 1 . . . . . . . . 5571 1 1533 . 1 1 127 127 ASP CA C 13 51.8 0.1 . 1 . . . . . . . . 5571 1 1534 . 1 1 127 127 ASP CB C 13 41.9 0.1 . 1 . . . . . . . . 5571 1 1535 . 1 1 127 127 ASP CG C 13 180.5 0.1 . 1 . . . . . . . . 5571 1 1536 . 1 1 127 127 ASP N N 15 128.1 0.1 . 1 . . . . . . . . 5571 1 1537 . 1 1 128 128 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 5571 1 1538 . 1 1 128 128 GLY HA2 H 1 4.11 0.02 . 2 . . . . . . . . 5571 1 1539 . 1 1 128 128 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 5571 1 1540 . 1 1 128 128 GLY C C 13 174 0.1 . 1 . . . . . . . . 5571 1 1541 . 1 1 128 128 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 5571 1 1542 . 1 1 128 128 GLY N N 15 113.1 0.1 . 1 . . . . . . . . 5571 1 1543 . 1 1 129 129 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 5571 1 1544 . 1 1 129 129 ASP HA H 1 4.97 0.02 . 1 . . . . . . . . 5571 1 1545 . 1 1 129 129 ASP HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5571 1 1546 . 1 1 129 129 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5571 1 1547 . 1 1 129 129 ASP C C 13 177.2 0.1 . 1 . . . . . . . . 5571 1 1548 . 1 1 129 129 ASP CA C 13 51.8 0.1 . 1 . . . . . . . . 5571 1 1549 . 1 1 129 129 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 5571 1 1550 . 1 1 129 129 ASP CG C 13 179.9 0.1 . 1 . . . . . . . . 5571 1 1551 . 1 1 129 129 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 5571 1 1552 . 1 1 130 130 PRO HA H 1 4.21 0.02 . 1 . . . . . . . . 5571 1 1553 . 1 1 130 130 PRO HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5571 1 1554 . 1 1 130 130 PRO HB3 H 1 2.1 0.02 . 2 . . . . . . . . 5571 1 1555 . 1 1 130 130 PRO HG2 H 1 2.4 0.02 . 2 . . . . . . . . 5571 1 1556 . 1 1 130 130 PRO HG3 H 1 1.75 0.02 . 2 . . . . . . . . 5571 1 1557 . 1 1 130 130 PRO HD2 H 1 4.14 0.02 . 2 . . . . . . . . 5571 1 1558 . 1 1 130 130 PRO HD3 H 1 3.78 0.02 . 2 . . . . . . . . 5571 1 1559 . 1 1 130 130 PRO C C 13 177.6 0.1 . 1 . . . . . . . . 5571 1 1560 . 1 1 130 130 PRO CA C 13 64.5 0.1 . 1 . . . . . . . . 5571 1 1561 . 1 1 130 130 PRO CB C 13 32.6 0.1 . 1 . . . . . . . . 5571 1 1562 . 1 1 130 130 PRO CG C 13 27.4 0.1 . 1 . . . . . . . . 5571 1 1563 . 1 1 130 130 PRO CD C 13 50.4 0.1 . 1 . . . . . . . . 5571 1 1564 . 1 1 130 130 PRO N N 15 142.8 0.1 . 1 . . . . . . . . 5571 1 1565 . 1 1 131 131 ARG H H 1 8.08 0.02 . 1 . . . . . . . . 5571 1 1566 . 1 1 131 131 ARG HA H 1 3.9 0.02 . 1 . . . . . . . . 5571 1 1567 . 1 1 131 131 ARG HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5571 1 1568 . 1 1 131 131 ARG HB3 H 1 1.5 0.02 . 2 . . . . . . . . 5571 1 1569 . 1 1 131 131 ARG HG2 H 1 0.81 0.02 . 2 . . . . . . . . 5571 1 1570 . 1 1 131 131 ARG HG3 H 1 0.65 0.02 . 2 . . . . . . . . 5571 1 1571 . 1 1 131 131 ARG HD2 H 1 3.05 0.02 . 2 . . . . . . . . 5571 1 1572 . 1 1 131 131 ARG HD3 H 1 2.87 0.02 . 2 . . . . . . . . 5571 1 1573 . 1 1 131 131 ARG HE H 1 7.16 0.02 . 1 . . . . . . . . 5571 1 1574 . 1 1 131 131 ARG HH11 H 1 6.47 0.02 . 1 . . . . . . . . 5571 1 1575 . 1 1 131 131 ARG C C 13 179.4 0.1 . 1 . . . . . . . . 5571 1 1576 . 1 1 131 131 ARG CA C 13 58.6 0.1 . 1 . . . . . . . . 5571 1 1577 . 1 1 131 131 ARG CB C 13 28.4 0.1 . 1 . . . . . . . . 5571 1 1578 . 1 1 131 131 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5571 1 1579 . 1 1 131 131 ARG CD C 13 42.6 0.1 . 1 . . . . . . . . 5571 1 1580 . 1 1 131 131 ARG CZ C 13 159.4 0.1 . 1 . . . . . . . . 5571 1 1581 . 1 1 131 131 ARG N N 15 119.1 0.1 . 1 . . . . . . . . 5571 1 1582 . 1 1 131 131 ARG NE N 15 86 0.1 . 1 . . . . . . . . 5571 1 1583 . 1 1 131 131 ARG NH1 N 15 71.3 0.1 . 2 . . . . . . . . 5571 1 1584 . 1 1 131 131 ARG NH2 N 15 70.3 0.1 . 2 . . . . . . . . 5571 1 1585 . 1 1 132 132 ALA H H 1 7.22 0.02 . 1 . . . . . . . . 5571 1 1586 . 1 1 132 132 ALA HA H 1 4.4 0.02 . 1 . . . . . . . . 5571 1 1587 . 1 1 132 132 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 5571 1 1588 . 1 1 132 132 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5571 1 1589 . 1 1 132 132 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5571 1 1590 . 1 1 132 132 ALA C C 13 176.9 0.1 . 1 . . . . . . . . 5571 1 1591 . 1 1 132 132 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5571 1 1592 . 1 1 132 132 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5571 1 1593 . 1 1 132 132 ALA N N 15 120.2 0.1 . 1 . . . . . . . . 5571 1 1594 . 1 1 133 133 ALA H H 1 7.48 0.02 . 1 . . . . . . . . 5571 1 1595 . 1 1 133 133 ALA HA H 1 4.95 0.02 . 1 . . . . . . . . 5571 1 1596 . 1 1 133 133 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 5571 1 1597 . 1 1 133 133 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5571 1 1598 . 1 1 133 133 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5571 1 1599 . 1 1 133 133 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 5571 1 1600 . 1 1 133 133 ALA CA C 13 50.6 0.1 . 1 . . . . . . . . 5571 1 1601 . 1 1 133 133 ALA CB C 13 19.5 0.1 . 1 . . . . . . . . 5571 1 1602 . 1 1 133 133 ALA N N 15 122.5 0.1 . 1 . . . . . . . . 5571 1 1603 . 1 1 134 134 ARG H H 1 7.23 0.02 . 1 . . . . . . . . 5571 1 1604 . 1 1 134 134 ARG HA H 1 3.87 0.02 . 1 . . . . . . . . 5571 1 1605 . 1 1 134 134 ARG HB2 H 1 2.1 0.02 . 2 . . . . . . . . 5571 1 1606 . 1 1 134 134 ARG HB3 H 1 1.83 0.02 . 2 . . . . . . . . 5571 1 1607 . 1 1 134 134 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 5571 1 1608 . 1 1 134 134 ARG HG3 H 1 1.67 0.02 . 2 . . . . . . . . 5571 1 1609 . 1 1 134 134 ARG HD2 H 1 3.29 0.02 . 2 . . . . . . . . 5571 1 1610 . 1 1 134 134 ARG HD3 H 1 3.24 0.02 . 2 . . . . . . . . 5571 1 1611 . 1 1 134 134 ARG HE H 1 7.26 0.02 . 1 . . . . . . . . 5571 1 1612 . 1 1 134 134 ARG HH11 H 1 6.95 0.02 . 2 . . . . . . . . 5571 1 1613 . 1 1 134 134 ARG HH12 H 1 6.56 0.02 . 2 . . . . . . . . 5571 1 1614 . 1 1 134 134 ARG C C 13 177.8 0.1 . 1 . . . . . . . . 5571 1 1615 . 1 1 134 134 ARG CA C 13 61.2 0.1 . 1 . . . . . . . . 5571 1 1616 . 1 1 134 134 ARG CB C 13 30.1 0.1 . 1 . . . . . . . . 5571 1 1617 . 1 1 134 134 ARG CG C 13 27.9 0.1 . 1 . . . . . . . . 5571 1 1618 . 1 1 134 134 ARG CD C 13 43.1 0.1 . 1 . . . . . . . . 5571 1 1619 . 1 1 134 134 ARG CZ C 13 159.6 0.1 . 1 . . . . . . . . 5571 1 1620 . 1 1 134 134 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 5571 1 1621 . 1 1 134 134 ARG NE N 15 84.7 0.1 . 1 . . . . . . . . 5571 1 1622 . 1 1 134 134 ARG NH1 N 15 72.3 0.1 . 2 . . . . . . . . 5571 1 1623 . 1 1 134 134 ARG NH2 N 15 70.3 0.1 . 2 . . . . . . . . 5571 1 1624 . 1 1 135 135 ASP H H 1 8.77 0.02 . 1 . . . . . . . . 5571 1 1625 . 1 1 135 135 ASP HA H 1 4.36 0.02 . 1 . . . . . . . . 5571 1 1626 . 1 1 135 135 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5571 1 1627 . 1 1 135 135 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5571 1 1628 . 1 1 135 135 ASP C C 13 179.4 0.1 . 1 . . . . . . . . 5571 1 1629 . 1 1 135 135 ASP CA C 13 57.8 0.1 . 1 . . . . . . . . 5571 1 1630 . 1 1 135 135 ASP CB C 13 39.6 0.1 . 1 . . . . . . . . 5571 1 1631 . 1 1 135 135 ASP CG C 13 179.5 0.1 . 1 . . . . . . . . 5571 1 1632 . 1 1 135 135 ASP N N 15 116.2 0.1 . 1 . . . . . . . . 5571 1 1633 . 1 1 136 136 ASP H H 1 7.71 0.02 . 1 . . . . . . . . 5571 1 1634 . 1 1 136 136 ASP HA H 1 4.5 0.02 . 1 . . . . . . . . 5571 1 1635 . 1 1 136 136 ASP HB2 H 1 2.97 0.02 . 2 . . . . . . . . 5571 1 1636 . 1 1 136 136 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 5571 1 1637 . 1 1 136 136 ASP C C 13 179 0.1 . 1 . . . . . . . . 5571 1 1638 . 1 1 136 136 ASP CA C 13 56.9 0.1 . 1 . . . . . . . . 5571 1 1639 . 1 1 136 136 ASP CB C 13 39.9 0.1 . 1 . . . . . . . . 5571 1 1640 . 1 1 136 136 ASP CG C 13 178.8 0.1 . 1 . . . . . . . . 5571 1 1641 . 1 1 136 136 ASP N N 15 121.3 0.1 . 1 . . . . . . . . 5571 1 1642 . 1 1 137 137 ILE H H 1 7.94 0.02 . 1 . . . . . . . . 5571 1 1643 . 1 1 137 137 ILE HA H 1 3.6 0.02 . 1 . . . . . . . . 5571 1 1644 . 1 1 137 137 ILE HB H 1 1.98 0.02 . 1 . . . . . . . . 5571 1 1645 . 1 1 137 137 ILE HG12 H 1 1.97 0.02 . 1 . . . . . . . . 5571 1 1646 . 1 1 137 137 ILE HG13 H 1 1.97 0.02 . 1 . . . . . . . . 5571 1 1647 . 1 1 137 137 ILE HG21 H 1 0.7 0.02 . 1 . . . . . . . . 5571 1 1648 . 1 1 137 137 ILE HG22 H 1 0.7 0.02 . 1 . . . . . . . . 5571 1 1649 . 1 1 137 137 ILE HG23 H 1 0.7 0.02 . 1 . . . . . . . . 5571 1 1650 . 1 1 137 137 ILE HD11 H 1 1.01 0.02 . 1 . . . . . . . . 5571 1 1651 . 1 1 137 137 ILE HD12 H 1 1.01 0.02 . 1 . . . . . . . . 5571 1 1652 . 1 1 137 137 ILE HD13 H 1 1.01 0.02 . 1 . . . . . . . . 5571 1 1653 . 1 1 137 137 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 5571 1 1654 . 1 1 137 137 ILE CA C 13 65.5 0.1 . 1 . . . . . . . . 5571 1 1655 . 1 1 137 137 ILE CB C 13 38.6 0.1 . 1 . . . . . . . . 5571 1 1656 . 1 1 137 137 ILE CG1 C 13 27.9 0.1 . 1 . . . . . . . . 5571 1 1657 . 1 1 137 137 ILE CG2 C 13 19.2 0.1 . 1 . . . . . . . . 5571 1 1658 . 1 1 137 137 ILE CD1 C 13 14.8 0.1 . 1 . . . . . . . . 5571 1 1659 . 1 1 137 137 ILE N N 15 121.4 0.1 . 1 . . . . . . . . 5571 1 1660 . 1 1 138 138 VAL H H 1 8.44 0.02 . 1 . . . . . . . . 5571 1 1661 . 1 1 138 138 VAL HA H 1 3.33 0.02 . 1 . . . . . . . . 5571 1 1662 . 1 1 138 138 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . 5571 1 1663 . 1 1 138 138 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 5571 1 1664 . 1 1 138 138 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 5571 1 1665 . 1 1 138 138 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5571 1 1666 . 1 1 138 138 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5571 1 1667 . 1 1 138 138 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5571 1 1668 . 1 1 138 138 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5571 1 1669 . 1 1 138 138 VAL C C 13 178.5 0.1 . 1 . . . . . . . . 5571 1 1670 . 1 1 138 138 VAL CA C 13 67 0.1 . 1 . . . . . . . . 5571 1 1671 . 1 1 138 138 VAL CB C 13 31.7 0.1 . 1 . . . . . . . . 5571 1 1672 . 1 1 138 138 VAL CG1 C 13 22.3 0.1 . 2 . . . . . . . . 5571 1 1673 . 1 1 138 138 VAL CG2 C 13 21.2 0.1 . 2 . . . . . . . . 5571 1 1674 . 1 1 138 138 VAL N N 15 118.2 0.1 . 1 . . . . . . . . 5571 1 1675 . 1 1 139 139 GLY H H 1 8.13 0.02 . 1 . . . . . . . . 5571 1 1676 . 1 1 139 139 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 5571 1 1677 . 1 1 139 139 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . 5571 1 1678 . 1 1 139 139 GLY C C 13 175.7 0.1 . 1 . . . . . . . . 5571 1 1679 . 1 1 139 139 GLY CA C 13 47.2 0.1 . 1 . . . . . . . . 5571 1 1680 . 1 1 139 139 GLY N N 15 106.8 0.1 . 1 . . . . . . . . 5571 1 1681 . 1 1 140 140 TRP H H 1 7.98 0.02 . 1 . . . . . . . . 5571 1 1682 . 1 1 140 140 TRP HA H 1 4.33 0.02 . 1 . . . . . . . . 5571 1 1683 . 1 1 140 140 TRP HB2 H 1 3.43 0.02 . 2 . . . . . . . . 5571 1 1684 . 1 1 140 140 TRP HB3 H 1 3.38 0.02 . 2 . . . . . . . . 5571 1 1685 . 1 1 140 140 TRP HD1 H 1 7.49 0.02 . 1 . . . . . . . . 5571 1 1686 . 1 1 140 140 TRP HE1 H 1 10.5 0.02 . 2 . . . . . . . . 5571 1 1687 . 1 1 140 140 TRP HE3 H 1 7.03 0.02 . 2 . . . . . . . . 5571 1 1688 . 1 1 140 140 TRP HZ2 H 1 7.59 0.02 . 2 . . . . . . . . 5571 1 1689 . 1 1 140 140 TRP HZ3 H 1 6.58 0.02 . 2 . . . . . . . . 5571 1 1690 . 1 1 140 140 TRP HH2 H 1 6.8 0.02 . 1 . . . . . . . . 5571 1 1691 . 1 1 140 140 TRP C C 13 178.3 0.1 . 1 . . . . . . . . 5571 1 1692 . 1 1 140 140 TRP CA C 13 62.1 0.1 . 1 . . . . . . . . 5571 1 1693 . 1 1 140 140 TRP CB C 13 29.6 0.1 . 1 . . . . . . . . 5571 1 1694 . 1 1 140 140 TRP CG C 13 112.3 0.1 . 1 . . . . . . . . 5571 1 1695 . 1 1 140 140 TRP CD1 C 13 128.1 0.1 . 2 . . . . . . . . 5571 1 1696 . 1 1 140 140 TRP CD2 C 13 131.2 0.1 . 2 . . . . . . . . 5571 1 1697 . 1 1 140 140 TRP CE2 C 13 138.8 0.1 . 2 . . . . . . . . 5571 1 1698 . 1 1 140 140 TRP CE3 C 13 119 0.1 . 2 . . . . . . . . 5571 1 1699 . 1 1 140 140 TRP CZ2 C 13 116 0.1 . 2 . . . . . . . . 5571 1 1700 . 1 1 140 140 TRP CZ3 C 13 120.8 0.1 . 2 . . . . . . . . 5571 1 1701 . 1 1 140 140 TRP CH2 C 13 123.5 0.1 . 1 . . . . . . . . 5571 1 1702 . 1 1 140 140 TRP N N 15 123.9 0.1 . 1 . . . . . . . . 5571 1 1703 . 1 1 140 140 TRP NE1 N 15 129.4 0.1 . 1 . . . . . . . . 5571 1 1704 . 1 1 141 141 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 5571 1 1705 . 1 1 141 141 ALA HA H 1 3.64 0.02 . 1 . . . . . . . . 5571 1 1706 . 1 1 141 141 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 5571 1 1707 . 1 1 141 141 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 5571 1 1708 . 1 1 141 141 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 5571 1 1709 . 1 1 141 141 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5571 1 1710 . 1 1 141 141 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 5571 1 1711 . 1 1 141 141 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5571 1 1712 . 1 1 141 141 ALA N N 15 120 0.1 . 1 . . . . . . . . 5571 1 1713 . 1 1 142 142 HIS H H 1 8.18 0.02 . 1 . . . . . . . . 5571 1 1714 . 1 1 142 142 HIS HA H 1 4.06 0.02 . 1 . . . . . . . . 5571 1 1715 . 1 1 142 142 HIS HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5571 1 1716 . 1 1 142 142 HIS HB3 H 1 3.34 0.02 . 2 . . . . . . . . 5571 1 1717 . 1 1 142 142 HIS HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5571 1 1718 . 1 1 142 142 HIS HE1 H 1 8.32 0.02 . 1 . . . . . . . . 5571 1 1719 . 1 1 142 142 HIS C C 13 177.7 0.1 . 1 . . . . . . . . 5571 1 1720 . 1 1 142 142 HIS CA C 13 59.3 0.1 . 1 . . . . . . . . 5571 1 1721 . 1 1 142 142 HIS CB C 13 28.8 0.1 . 1 . . . . . . . . 5571 1 1722 . 1 1 142 142 HIS CG C 13 131.8 0.1 . 1 . . . . . . . . 5571 1 1723 . 1 1 142 142 HIS CD2 C 13 119.6 0.1 . 1 . . . . . . . . 5571 1 1724 . 1 1 142 142 HIS CE1 C 13 134 0.1 . 1 . . . . . . . . 5571 1 1725 . 1 1 142 142 HIS N N 15 116.2 0.1 . 1 . . . . . . . . 5571 1 1726 . 1 1 142 142 HIS ND1 N 15 177.7 0.1 . 1 . . . . . . . . 5571 1 1727 . 1 1 142 142 HIS NE2 N 15 170.4 0.1 . 1 . . . . . . . . 5571 1 1728 . 1 1 143 143 ASP H H 1 8.05 0.02 . 1 . . . . . . . . 5571 1 1729 . 1 1 143 143 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 5571 1 1730 . 1 1 143 143 ASP HB2 H 1 2.7 0.02 . 2 . . . . . . . . 5571 1 1731 . 1 1 143 143 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5571 1 1732 . 1 1 143 143 ASP C C 13 179.1 0.1 . 1 . . . . . . . . 5571 1 1733 . 1 1 143 143 ASP CA C 13 57.1 0.1 . 1 . . . . . . . . 5571 1 1734 . 1 1 143 143 ASP CB C 13 39.2 0.1 . 1 . . . . . . . . 5571 1 1735 . 1 1 143 143 ASP CG C 13 179 0.1 . 1 . . . . . . . . 5571 1 1736 . 1 1 143 143 ASP N N 15 122.5 0.1 . 1 . . . . . . . . 5571 1 1737 . 1 1 144 144 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 5571 1 1738 . 1 1 144 144 VAL HA H 1 3.21 0.02 . 1 . . . . . . . . 5571 1 1739 . 1 1 144 144 VAL HB H 1 1.32 0.02 . 1 . . . . . . . . 5571 1 1740 . 1 1 144 144 VAL HG11 H 1 -0.23 0.02 . 2 . . . . . . . . 5571 1 1741 . 1 1 144 144 VAL HG12 H 1 -0.23 0.02 . 2 . . . . . . . . 5571 1 1742 . 1 1 144 144 VAL HG13 H 1 -0.23 0.02 . 2 . . . . . . . . 5571 1 1743 . 1 1 144 144 VAL HG21 H 1 0.37 0.02 . 2 . . . . . . . . 5571 1 1744 . 1 1 144 144 VAL HG22 H 1 0.37 0.02 . 2 . . . . . . . . 5571 1 1745 . 1 1 144 144 VAL HG23 H 1 0.37 0.02 . 2 . . . . . . . . 5571 1 1746 . 1 1 144 144 VAL C C 13 176.8 0.1 . 1 . . . . . . . . 5571 1 1747 . 1 1 144 144 VAL CA C 13 65.8 0.1 . 1 . . . . . . . . 5571 1 1748 . 1 1 144 144 VAL CB C 13 30.9 0.1 . 1 . . . . . . . . 5571 1 1749 . 1 1 144 144 VAL CG1 C 13 21.9 0.1 . 2 . . . . . . . . 5571 1 1750 . 1 1 144 144 VAL CG2 C 13 20.8 0.1 . 2 . . . . . . . . 5571 1 1751 . 1 1 144 144 VAL N N 15 121.3 0.1 . 1 . . . . . . . . 5571 1 1752 . 1 1 145 145 ARG H H 1 7.32 0.02 . 1 . . . . . . . . 5571 1 1753 . 1 1 145 145 ARG HA H 1 3.88 0.02 . 1 . . . . . . . . 5571 1 1754 . 1 1 145 145 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5571 1 1755 . 1 1 145 145 ARG HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5571 1 1756 . 1 1 145 145 ARG HG2 H 1 1.64 0.02 . 2 . . . . . . . . 5571 1 1757 . 1 1 145 145 ARG HG3 H 1 1.55 0.02 . 2 . . . . . . . . 5571 1 1758 . 1 1 145 145 ARG HD2 H 1 3.04 0.02 . 2 . . . . . . . . 5571 1 1759 . 1 1 145 145 ARG HD3 H 1 2.72 0.02 . 2 . . . . . . . . 5571 1 1760 . 1 1 145 145 ARG HE H 1 8.07 0.02 . 1 . . . . . . . . 5571 1 1761 . 1 1 145 145 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 5571 1 1762 . 1 1 145 145 ARG CA C 13 58.1 0.1 . 1 . . . . . . . . 5571 1 1763 . 1 1 145 145 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 5571 1 1764 . 1 1 145 145 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 5571 1 1765 . 1 1 145 145 ARG CD C 13 43.8 0.1 . 1 . . . . . . . . 5571 1 1766 . 1 1 145 145 ARG N N 15 115.6 0.1 . 1 . . . . . . . . 5571 1 1767 . 1 1 145 145 ARG NE N 15 84.4 0.1 . 1 . . . . . . . . 5571 1 1768 . 1 1 146 146 GLY H H 1 7.57 0.02 . 1 . . . . . . . . 5571 1 1769 . 1 1 146 146 GLY HA2 H 1 4.14 0.02 . 2 . . . . . . . . 5571 1 1770 . 1 1 146 146 GLY HA3 H 1 3.8 0.02 . 2 . . . . . . . . 5571 1 1771 . 1 1 146 146 GLY C C 13 174 0.1 . 1 . . . . . . . . 5571 1 1772 . 1 1 146 146 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5571 1 1773 . 1 1 146 146 GLY N N 15 105.9 0.1 . 1 . . . . . . . . 5571 1 1774 . 1 1 147 147 ALA H H 1 7.57 0.02 . 1 . . . . . . . . 5571 1 1775 . 1 1 147 147 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 5571 1 1776 . 1 1 147 147 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 1777 . 1 1 147 147 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 1778 . 1 1 147 147 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5571 1 1779 . 1 1 147 147 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5571 1 1780 . 1 1 147 147 ALA CA C 13 52.4 0.1 . 1 . . . . . . . . 5571 1 1781 . 1 1 147 147 ALA CB C 13 19.6 0.1 . 1 . . . . . . . . 5571 1 1782 . 1 1 147 147 ALA N N 15 122.6 0.1 . 1 . . . . . . . . 5571 1 1783 . 1 1 148 148 ILE H H 1 6.97 0.02 . 1 . . . . . . . . 5571 1 1784 . 1 1 148 148 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 5571 1 1785 . 1 1 148 148 ILE HB H 1 1.99 0.02 . 1 . . . . . . . . 5571 1 1786 . 1 1 148 148 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 5571 1 1787 . 1 1 148 148 ILE HG13 H 1 1.33 0.02 . 2 . . . . . . . . 5571 1 1788 . 1 1 148 148 ILE HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5571 1 1789 . 1 1 148 148 ILE HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5571 1 1790 . 1 1 148 148 ILE HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5571 1 1791 . 1 1 148 148 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5571 1 1792 . 1 1 148 148 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5571 1 1793 . 1 1 148 148 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5571 1 1794 . 1 1 148 148 ILE C C 13 180.9 0.1 . 1 . . . . . . . . 5571 1 1795 . 1 1 148 148 ILE CA C 13 62.5 0.1 . 1 . . . . . . . . 5571 1 1796 . 1 1 148 148 ILE CB C 13 38.9 0.1 . 1 . . . . . . . . 5571 1 1797 . 1 1 148 148 ILE CG1 C 13 26.6 0.1 . 1 . . . . . . . . 5571 1 1798 . 1 1 148 148 ILE CG2 C 13 18.5 0.1 . 1 . . . . . . . . 5571 1 1799 . 1 1 148 148 ILE CD1 C 13 13.8 0.1 . 1 . . . . . . . . 5571 1 1800 . 1 1 148 148 ILE N N 15 120.5 0.1 . 1 . . . . . . . . 5571 1 stop_ save_