data_1663 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1663 _Entry.Title ; Polypeptide Backbone Resonance Assignments and Secondary Structure of Bacillus subtilis Enzyme III(glc) Determined by Two-Dimensional and Three-Dimensional Heteronuclear NMR Spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Wayne Fairbrother . J. . 1663 2 John Cavanagh . . . 1663 3 H. Dyson . J. . 1663 4 Arthur Palmer . G. . 1663 5 Sarah Sutrina . L. . 1663 6 Jonathan Reizer . . . 1663 7 MIlton Saier . H. Jr 1663 8 Peter Wright . E. . 1663 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1663 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 149 1663 '1H chemical shifts' 802 1663 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 5 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1663 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1663 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1663 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1663 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1663 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1663 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Fairbrother, Wayne J., Cavanagh, John, Dyson, H. Jane, Palmer, Arthur G., III, Sutrina, Sarah L., Reizer, Jonathan, Saier, MIlton H. Jr., Wright, Peter E., "Polypeptide Backbone Resonance Assignments and Secondary Structure of Bacillus subtilis Enzyme III(glc) Determined by Two-Dimensional and Three-Dimensional Heteronuclear NMR Spectroscopy," Biochemistry 30, 6896-6907 (1991). ; _Citation.Title 'Polypeptide Backbone Resonance Assignments and Secondary Structure of Bacillus subtilis Enzyme III(glc) Determined by Two-Dimensional and Three-Dimensional Heteronuclear NMR Spectroscopy' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue . _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 6896 _Citation.Page_last 6907 _Citation.Year 1991 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wayne Fairbrother . J. . 1663 1 2 John Cavanagh . . . 1663 1 3 H. Dyson . J. . 1663 1 4 Arthur Palmer . G. . 1663 1 5 Sarah Sutrina . L. . 1663 1 6 Jonathan Reizer . . . 1663 1 7 MIlton Saier . H. Jr 1663 1 8 Peter Wright . E. . 1663 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_glucose_permease _Assembly.Sf_category assembly _Assembly.Sf_framecode system_glucose_permease _Assembly.Entry_ID 1663 _Assembly.ID 1 _Assembly.Name 'glucose permease' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'glucose permease' 1 $glucose_permease . . . . . . . . . 1663 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'glucose permease' system 1663 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_glucose_permease _Entity.Sf_category entity _Entity.Sf_framecode glucose_permease _Entity.Entry_ID 1663 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'glucose permease' _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 ; MIAEPLQNEIGEEVFVSPIT GEIHPITDVPDQVFSGKMMG DGFAILPSEGIVVSPVRGKI LNVFPTKHAIGLQSDGGREI LIHFGIDTVSLKGEGFTSFV SEGDRVEPGQKLLEVDLDAV KPNVPSLMTPIVFTNLAEGE TVSIKASGSVNREQEDIVKI EK ; _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.1.69 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1AX3 . "Solution Nmr Structure Of B. Subtilis Iiaglc, 16 Structures" . . . . . 100.00 162 100.00 100.00 4.95e-108 . . . . 1663 1 2 no PDB 1GPR . "Refined Crystal Structure Of Iia Domain Of The Glucose Permease Of Bacillus Subtilis At 1.9 Angstroms Resolution" . . . . . 100.00 162 100.00 100.00 4.95e-108 . . . . 1663 1 3 no DBJ BAI84998 . "phosphotransferase system (PTS) glucose-specific enzyme IICBA component [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 699 98.77 99.38 1.51e-101 . . . . 1663 1 4 no DBJ BAM52032 . "phosphotransferase system (PTS)glucose-specific enzyme IICBA component [Synechocystis sp. PCC 6803]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 5 no DBJ BAM57609 . "phosphotransferase system (PTS)glucose-specific enzyme IICBA component [Bacillus subtilis BEST7003]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 6 no DBJ GAK78203 . "phosphotransferase system (PTS) glucose-specific enzyme IICBA component [Bacillus subtilis Miyagi-4]" . . . . . 100.00 699 98.77 99.38 1.51e-101 . . . . 1663 1 7 no EMBL CAA31316 . "protein-N(pi)-phosphohistidine-sugar phosphotransferase [Bacillus subtilis]" . . . . . 100.00 162 100.00 100.00 4.95e-108 . . . . 1663 1 8 no EMBL CAA77803 . "IIGlc [Bacillus subtilis]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 9 no EMBL CAB13262 . "phosphotransferase system (PTS) glucose-specific enzyme IICBA component [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 10 no EMBL CCU57950 . "PTS system, glucose-specific IIC component / PTS system, glucose-specific IIB component / PTS system, glucose-specific IIA comp" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 11 no EMBL CEI56550 . "PTS system glucose-specific EIICBA component [Bacillus subtilis]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 12 no GB AAA06088 . "glucose permease [Bacillus subtilis]" . . . . . 100.00 451 99.38 100.00 1.06e-104 . . . . 1663 1 13 no GB ADM37476 . "phosphotransferase system (PTS) glucose-specific enzyme IICBA component [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 699 98.15 99.38 2.67e-101 . . . . 1663 1 14 no GB ADV96408 . "phosphotransferase system (PTS) glucose-specific enzyme IICBA component [Bacillus subtilis BSn5]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 15 no GB AEP86363 . "PTS system glucose-specific EIICBA component [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 100.00 699 98.15 99.38 4.79e-101 . . . . 1663 1 16 no GB AEP90534 . "pts system, glucose-specific iibc component [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 659 99.38 100.00 1.47e-102 . . . . 1663 1 17 no REF NP_389272 . "PTS system-glucose-specific transporter subunit EIICBA [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 18 no REF WP_003218636 . "MULTISPECIES: PTS glucose transporter subunit IIABC [Bacillus]" . . . . . 100.00 699 98.15 99.38 2.67e-101 . . . . 1663 1 19 no REF WP_003232428 . "PTS glucose transporter subunit IIABC [Bacillus subtilis]" . . . . . 100.00 699 98.77 99.38 2.93e-101 . . . . 1663 1 20 no REF WP_003238960 . "PTS glucose transporter subunit IICBA [Bacillus subtilis]" . . . . . 100.00 699 99.38 100.00 2.42e-102 . . . . 1663 1 21 no REF WP_003244661 . "MULTISPECIES: PTS glucose EIICBA component [Bacillus]" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 22 no SP P20166 . "RecName: Full=PTS system glucose-specific EIICBA component; AltName: Full=EII-Glc/EIII-Glc; AltName: Full=EIICBA-Glc; Includes:" . . . . . 100.00 699 99.38 100.00 2.34e-102 . . . . 1663 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'enzyme IIIglc' variant 1663 1 'glucose permease' common 1663 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 -1 MET . 1663 1 2 1 ILE . 1663 1 3 2 ALA . 1663 1 4 3 GLU . 1663 1 5 4 PRO . 1663 1 6 5 LEU . 1663 1 7 6 GLN . 1663 1 8 7 ASN . 1663 1 9 8 GLU . 1663 1 10 9 ILE . 1663 1 11 10 GLY . 1663 1 12 11 GLU . 1663 1 13 12 GLU . 1663 1 14 13 VAL . 1663 1 15 14 PHE . 1663 1 16 15 VAL . 1663 1 17 16 SER . 1663 1 18 17 PRO . 1663 1 19 18 ILE . 1663 1 20 19 THR . 1663 1 21 20 GLY . 1663 1 22 21 GLU . 1663 1 23 22 ILE . 1663 1 24 23 HIS . 1663 1 25 24 PRO . 1663 1 26 25 ILE . 1663 1 27 26 THR . 1663 1 28 27 ASP . 1663 1 29 28 VAL . 1663 1 30 29 PRO . 1663 1 31 30 ASP . 1663 1 32 31 GLN . 1663 1 33 32 VAL . 1663 1 34 33 PHE . 1663 1 35 34 SER . 1663 1 36 35 GLY . 1663 1 37 36 LYS . 1663 1 38 37 MET . 1663 1 39 38 MET . 1663 1 40 39 GLY . 1663 1 41 40 ASP . 1663 1 42 41 GLY . 1663 1 43 42 PHE . 1663 1 44 43 ALA . 1663 1 45 44 ILE . 1663 1 46 45 LEU . 1663 1 47 46 PRO . 1663 1 48 47 SER . 1663 1 49 48 GLU . 1663 1 50 49 GLY . 1663 1 51 50 ILE . 1663 1 52 51 VAL . 1663 1 53 52 VAL . 1663 1 54 53 SER . 1663 1 55 54 PRO . 1663 1 56 55 VAL . 1663 1 57 56 ARG . 1663 1 58 57 GLY . 1663 1 59 58 LYS . 1663 1 60 59 ILE . 1663 1 61 60 LEU . 1663 1 62 61 ASN . 1663 1 63 62 VAL . 1663 1 64 63 PHE . 1663 1 65 64 PRO . 1663 1 66 65 THR . 1663 1 67 66 LYS . 1663 1 68 67 HIS . 1663 1 69 68 ALA . 1663 1 70 69 ILE . 1663 1 71 70 GLY . 1663 1 72 71 LEU . 1663 1 73 72 GLN . 1663 1 74 73 SER . 1663 1 75 74 ASP . 1663 1 76 75 GLY . 1663 1 77 76 GLY . 1663 1 78 77 ARG . 1663 1 79 78 GLU . 1663 1 80 79 ILE . 1663 1 81 80 LEU . 1663 1 82 81 ILE . 1663 1 83 82 HIS . 1663 1 84 83 PHE . 1663 1 85 84 GLY . 1663 1 86 85 ILE . 1663 1 87 86 ASP . 1663 1 88 87 THR . 1663 1 89 88 VAL . 1663 1 90 89 SER . 1663 1 91 90 LEU . 1663 1 92 91 LYS . 1663 1 93 92 GLY . 1663 1 94 93 GLU . 1663 1 95 94 GLY . 1663 1 96 95 PHE . 1663 1 97 96 THR . 1663 1 98 97 SER . 1663 1 99 98 PHE . 1663 1 100 99 VAL . 1663 1 101 100 SER . 1663 1 102 101 GLU . 1663 1 103 102 GLY . 1663 1 104 103 ASP . 1663 1 105 104 ARG . 1663 1 106 105 VAL . 1663 1 107 106 GLU . 1663 1 108 107 PRO . 1663 1 109 108 GLY . 1663 1 110 109 GLN . 1663 1 111 110 LYS . 1663 1 112 111 LEU . 1663 1 113 112 LEU . 1663 1 114 113 GLU . 1663 1 115 114 VAL . 1663 1 116 115 ASP . 1663 1 117 116 LEU . 1663 1 118 117 ASP . 1663 1 119 118 ALA . 1663 1 120 119 VAL . 1663 1 121 120 LYS . 1663 1 122 121 PRO . 1663 1 123 122 ASN . 1663 1 124 123 VAL . 1663 1 125 124 PRO . 1663 1 126 125 SER . 1663 1 127 126 LEU . 1663 1 128 127 MET . 1663 1 129 128 THR . 1663 1 130 129 PRO . 1663 1 131 130 ILE . 1663 1 132 131 VAL . 1663 1 133 132 PHE . 1663 1 134 133 THR . 1663 1 135 134 ASN . 1663 1 136 135 LEU . 1663 1 137 136 ALA . 1663 1 138 137 GLU . 1663 1 139 138 GLY . 1663 1 140 139 GLU . 1663 1 141 140 THR . 1663 1 142 141 VAL . 1663 1 143 142 SER . 1663 1 144 143 ILE . 1663 1 145 144 LYS . 1663 1 146 145 ALA . 1663 1 147 146 SER . 1663 1 148 147 GLY . 1663 1 149 148 SER . 1663 1 150 149 VAL . 1663 1 151 150 ASN . 1663 1 152 151 ARG . 1663 1 153 152 GLU . 1663 1 154 153 GLN . 1663 1 155 154 GLU . 1663 1 156 155 ASP . 1663 1 157 156 ILE . 1663 1 158 157 VAL . 1663 1 159 158 LYS . 1663 1 160 159 ILE . 1663 1 161 160 GLU . 1663 1 162 161 LYS . 1663 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 1663 1 . ILE 2 2 1663 1 . ALA 3 3 1663 1 . GLU 4 4 1663 1 . PRO 5 5 1663 1 . LEU 6 6 1663 1 . GLN 7 7 1663 1 . ASN 8 8 1663 1 . GLU 9 9 1663 1 . ILE 10 10 1663 1 . GLY 11 11 1663 1 . GLU 12 12 1663 1 . GLU 13 13 1663 1 . VAL 14 14 1663 1 . PHE 15 15 1663 1 . VAL 16 16 1663 1 . SER 17 17 1663 1 . PRO 18 18 1663 1 . ILE 19 19 1663 1 . THR 20 20 1663 1 . GLY 21 21 1663 1 . GLU 22 22 1663 1 . ILE 23 23 1663 1 . HIS 24 24 1663 1 . PRO 25 25 1663 1 . ILE 26 26 1663 1 . THR 27 27 1663 1 . ASP 28 28 1663 1 . VAL 29 29 1663 1 . PRO 30 30 1663 1 . ASP 31 31 1663 1 . GLN 32 32 1663 1 . VAL 33 33 1663 1 . PHE 34 34 1663 1 . SER 35 35 1663 1 . GLY 36 36 1663 1 . LYS 37 37 1663 1 . MET 38 38 1663 1 . MET 39 39 1663 1 . GLY 40 40 1663 1 . ASP 41 41 1663 1 . GLY 42 42 1663 1 . PHE 43 43 1663 1 . ALA 44 44 1663 1 . ILE 45 45 1663 1 . LEU 46 46 1663 1 . PRO 47 47 1663 1 . SER 48 48 1663 1 . GLU 49 49 1663 1 . GLY 50 50 1663 1 . ILE 51 51 1663 1 . VAL 52 52 1663 1 . VAL 53 53 1663 1 . SER 54 54 1663 1 . PRO 55 55 1663 1 . VAL 56 56 1663 1 . ARG 57 57 1663 1 . GLY 58 58 1663 1 . LYS 59 59 1663 1 . ILE 60 60 1663 1 . LEU 61 61 1663 1 . ASN 62 62 1663 1 . VAL 63 63 1663 1 . PHE 64 64 1663 1 . PRO 65 65 1663 1 . THR 66 66 1663 1 . LYS 67 67 1663 1 . HIS 68 68 1663 1 . ALA 69 69 1663 1 . ILE 70 70 1663 1 . GLY 71 71 1663 1 . LEU 72 72 1663 1 . GLN 73 73 1663 1 . SER 74 74 1663 1 . ASP 75 75 1663 1 . GLY 76 76 1663 1 . GLY 77 77 1663 1 . ARG 78 78 1663 1 . GLU 79 79 1663 1 . ILE 80 80 1663 1 . LEU 81 81 1663 1 . ILE 82 82 1663 1 . HIS 83 83 1663 1 . PHE 84 84 1663 1 . GLY 85 85 1663 1 . ILE 86 86 1663 1 . ASP 87 87 1663 1 . THR 88 88 1663 1 . VAL 89 89 1663 1 . SER 90 90 1663 1 . LEU 91 91 1663 1 . LYS 92 92 1663 1 . GLY 93 93 1663 1 . GLU 94 94 1663 1 . GLY 95 95 1663 1 . PHE 96 96 1663 1 . THR 97 97 1663 1 . SER 98 98 1663 1 . PHE 99 99 1663 1 . VAL 100 100 1663 1 . SER 101 101 1663 1 . GLU 102 102 1663 1 . GLY 103 103 1663 1 . ASP 104 104 1663 1 . ARG 105 105 1663 1 . VAL 106 106 1663 1 . GLU 107 107 1663 1 . PRO 108 108 1663 1 . GLY 109 109 1663 1 . GLN 110 110 1663 1 . LYS 111 111 1663 1 . LEU 112 112 1663 1 . LEU 113 113 1663 1 . GLU 114 114 1663 1 . VAL 115 115 1663 1 . ASP 116 116 1663 1 . LEU 117 117 1663 1 . ASP 118 118 1663 1 . ALA 119 119 1663 1 . VAL 120 120 1663 1 . LYS 121 121 1663 1 . PRO 122 122 1663 1 . ASN 123 123 1663 1 . VAL 124 124 1663 1 . PRO 125 125 1663 1 . SER 126 126 1663 1 . LEU 127 127 1663 1 . MET 128 128 1663 1 . THR 129 129 1663 1 . PRO 130 130 1663 1 . ILE 131 131 1663 1 . VAL 132 132 1663 1 . PHE 133 133 1663 1 . THR 134 134 1663 1 . ASN 135 135 1663 1 . LEU 136 136 1663 1 . ALA 137 137 1663 1 . GLU 138 138 1663 1 . GLY 139 139 1663 1 . GLU 140 140 1663 1 . THR 141 141 1663 1 . VAL 142 142 1663 1 . SER 143 143 1663 1 . ILE 144 144 1663 1 . LYS 145 145 1663 1 . ALA 146 146 1663 1 . SER 147 147 1663 1 . GLY 148 148 1663 1 . SER 149 149 1663 1 . VAL 150 150 1663 1 . ASN 151 151 1663 1 . ARG 152 152 1663 1 . GLU 153 153 1663 1 . GLN 154 154 1663 1 . GLU 155 155 1663 1 . ASP 156 156 1663 1 . ILE 157 157 1663 1 . VAL 158 158 1663 1 . LYS 159 159 1663 1 . ILE 160 160 1663 1 . GLU 161 161 1663 1 . LYS 162 162 1663 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 1663 _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 $glucose_permease . 1423 organism . 'Bacillus subtilis' . . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 1663 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 1663 _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 $glucose_permease . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1663 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1663 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1663 _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 6.6 . na 1663 1 temperature 308 . K 1663 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1663 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 1663 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 1663 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 1663 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1663 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1663 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . DSS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1663 1 N . 'liquid ammonia' . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1663 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1663 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 1663 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 ILE H H 1 8.12 . . 1 . . . . 1 . . . 1663 1 2 . 1 1 2 2 ILE HA H 1 4.19 . . 1 . . . . 1 . . . 1663 1 3 . 1 1 2 2 ILE HG21 H 1 .93 . . 1 . . . . 1 . . . 1663 1 4 . 1 1 2 2 ILE HG22 H 1 .93 . . 1 . . . . 1 . . . 1663 1 5 . 1 1 2 2 ILE HG23 H 1 .93 . . 1 . . . . 1 . . . 1663 1 6 . 1 1 2 2 ILE N N 15 120.9 . . 1 . . . . 1 . . . 1663 1 7 . 1 1 3 3 ALA H H 1 8.33 . . 1 . . . . 2 . . . 1663 1 8 . 1 1 3 3 ALA HA H 1 4.35 . . 1 . . . . 2 . . . 1663 1 9 . 1 1 3 3 ALA HB1 H 1 1.36 . . 1 . . . . 2 . . . 1663 1 10 . 1 1 3 3 ALA HB2 H 1 1.36 . . 1 . . . . 2 . . . 1663 1 11 . 1 1 3 3 ALA HB3 H 1 1.36 . . 1 . . . . 2 . . . 1663 1 12 . 1 1 3 3 ALA N N 15 128.1 . . 1 . . . . 2 . . . 1663 1 13 . 1 1 4 4 GLU H H 1 8.24 . . 1 . . . . 3 . . . 1663 1 14 . 1 1 4 4 GLU HA H 1 4.58 . . 1 . . . . 3 . . . 1663 1 15 . 1 1 4 4 GLU HB2 H 1 1.86 . . 2 . . . . 3 . . . 1663 1 16 . 1 1 4 4 GLU HB3 H 1 2.04 . . 2 . . . . 3 . . . 1663 1 17 . 1 1 4 4 GLU N N 15 121.6 . . 1 . . . . 3 . . . 1663 1 18 . 1 1 5 5 PRO HA H 1 4.42 . . 1 . . . . 4 . . . 1663 1 19 . 1 1 6 6 LEU H H 1 8.34 . . 1 . . . . 5 . . . 1663 1 20 . 1 1 6 6 LEU HA H 1 4.36 . . 1 . . . . 5 . . . 1663 1 21 . 1 1 6 6 LEU HB2 H 1 1.6 . . 2 . . . . 5 . . . 1663 1 22 . 1 1 6 6 LEU HB3 H 1 1.69 . . 2 . . . . 5 . . . 1663 1 23 . 1 1 6 6 LEU HG H 1 1.62 . . 1 . . . . 5 . . . 1663 1 24 . 1 1 6 6 LEU HD11 H 1 .9 . . 2 . . . . 5 . . . 1663 1 25 . 1 1 6 6 LEU HD12 H 1 .9 . . 2 . . . . 5 . . . 1663 1 26 . 1 1 6 6 LEU HD13 H 1 .9 . . 2 . . . . 5 . . . 1663 1 27 . 1 1 6 6 LEU HD21 H 1 .95 . . 2 . . . . 5 . . . 1663 1 28 . 1 1 6 6 LEU HD22 H 1 .95 . . 2 . . . . 5 . . . 1663 1 29 . 1 1 6 6 LEU HD23 H 1 .95 . . 2 . . . . 5 . . . 1663 1 30 . 1 1 6 6 LEU N N 15 122.5 . . 1 . . . . 5 . . . 1663 1 31 . 1 1 7 7 GLN H H 1 8.34 . . 1 . . . . 6 . . . 1663 1 32 . 1 1 7 7 GLN HA H 1 4.51 . . 1 . . . . 6 . . . 1663 1 33 . 1 1 7 7 GLN HB2 H 1 1.98 . . 2 . . . . 6 . . . 1663 1 34 . 1 1 7 7 GLN HB3 H 1 2.05 . . 2 . . . . 6 . . . 1663 1 35 . 1 1 7 7 GLN HG2 H 1 2.26 . . 2 . . . . 6 . . . 1663 1 36 . 1 1 7 7 GLN HG3 H 1 2.32 . . 2 . . . . 6 . . . 1663 1 37 . 1 1 7 7 GLN N N 15 121.3 . . 1 . . . . 6 . . . 1663 1 38 . 1 1 8 8 ASN H H 1 8.41 . . 1 . . . . 7 . . . 1663 1 39 . 1 1 8 8 ASN HA H 1 4.68 . . 1 . . . . 7 . . . 1663 1 40 . 1 1 8 8 ASN HB2 H 1 2.83 . . 2 . . . . 7 . . . 1663 1 41 . 1 1 8 8 ASN HB3 H 1 2.9 . . 2 . . . . 7 . . . 1663 1 42 . 1 1 8 8 ASN N N 15 119.5 . . 1 . . . . 7 . . . 1663 1 43 . 1 1 9 9 GLU H H 1 8.45 . . 1 . . . . 8 . . . 1663 1 44 . 1 1 9 9 GLU HA H 1 4.28 . . 1 . . . . 8 . . . 1663 1 45 . 1 1 9 9 GLU HB2 H 1 1.96 . . 2 . . . . 8 . . . 1663 1 46 . 1 1 9 9 GLU HB3 H 1 2.06 . . 2 . . . . 8 . . . 1663 1 47 . 1 1 9 9 GLU HG2 H 1 2.25 . . 1 . . . . 8 . . . 1663 1 48 . 1 1 9 9 GLU HG3 H 1 2.25 . . 1 . . . . 8 . . . 1663 1 49 . 1 1 9 9 GLU N N 15 120.1 . . 1 . . . . 8 . . . 1663 1 50 . 1 1 10 10 ILE H H 1 7.97 . . 1 . . . . 9 . . . 1663 1 51 . 1 1 10 10 ILE HA H 1 4.25 . . 1 . . . . 9 . . . 1663 1 52 . 1 1 10 10 ILE HB H 1 1.95 . . 1 . . . . 9 . . . 1663 1 53 . 1 1 10 10 ILE HG12 H 1 1.18 . . 2 . . . . 9 . . . 1663 1 54 . 1 1 10 10 ILE HG13 H 1 1.45 . . 2 . . . . 9 . . . 1663 1 55 . 1 1 10 10 ILE HG21 H 1 .92 . . 1 . . . . 9 . . . 1663 1 56 . 1 1 10 10 ILE HG22 H 1 .92 . . 1 . . . . 9 . . . 1663 1 57 . 1 1 10 10 ILE HG23 H 1 .92 . . 1 . . . . 9 . . . 1663 1 58 . 1 1 10 10 ILE HD11 H 1 .84 . . 1 . . . . 9 . . . 1663 1 59 . 1 1 10 10 ILE HD12 H 1 .84 . . 1 . . . . 9 . . . 1663 1 60 . 1 1 10 10 ILE HD13 H 1 .84 . . 1 . . . . 9 . . . 1663 1 61 . 1 1 10 10 ILE N N 15 119.3 . . 1 . . . . 9 . . . 1663 1 62 . 1 1 11 11 GLY H H 1 8.25 . . 1 . . . . 10 . . . 1663 1 63 . 1 1 11 11 GLY HA2 H 1 3.97 . . 1 . . . . 10 . . . 1663 1 64 . 1 1 11 11 GLY HA3 H 1 3.97 . . 1 . . . . 10 . . . 1663 1 65 . 1 1 11 11 GLY N N 15 111.5 . . 1 . . . . 10 . . . 1663 1 66 . 1 1 12 12 GLU H H 1 8.09 . . 1 . . . . 11 . . . 1663 1 67 . 1 1 12 12 GLU HA H 1 4.39 . . 1 . . . . 11 . . . 1663 1 68 . 1 1 12 12 GLU HB2 H 1 1.94 . . 2 . . . . 11 . . . 1663 1 69 . 1 1 12 12 GLU HB3 H 1 2.04 . . 2 . . . . 11 . . . 1663 1 70 . 1 1 12 12 GLU HG2 H 1 2.27 . . 2 . . . . 11 . . . 1663 1 71 . 1 1 12 12 GLU HG3 H 1 2.3 . . 2 . . . . 11 . . . 1663 1 72 . 1 1 12 12 GLU N N 15 120.8 . . 1 . . . . 11 . . . 1663 1 73 . 1 1 13 13 GLU H H 1 8.49 . . 1 . . . . 12 . . . 1663 1 74 . 1 1 13 13 GLU HA H 1 4.51 . . 1 . . . . 12 . . . 1663 1 75 . 1 1 13 13 GLU HB2 H 1 2.08 . . 1 . . . . 12 . . . 1663 1 76 . 1 1 13 13 GLU HB3 H 1 2.08 . . 1 . . . . 12 . . . 1663 1 77 . 1 1 13 13 GLU N N 15 123.2 . . 1 . . . . 12 . . . 1663 1 78 . 1 1 14 14 VAL H H 1 8.31 . . 1 . . . . 13 . . . 1663 1 79 . 1 1 14 14 VAL HA H 1 4.03 . . 1 . . . . 13 . . . 1663 1 80 . 1 1 14 14 VAL HB H 1 2.03 . . 1 . . . . 13 . . . 1663 1 81 . 1 1 14 14 VAL HG11 H 1 .94 . . 2 . . . . 13 . . . 1663 1 82 . 1 1 14 14 VAL HG12 H 1 .94 . . 2 . . . . 13 . . . 1663 1 83 . 1 1 14 14 VAL HG13 H 1 .94 . . 2 . . . . 13 . . . 1663 1 84 . 1 1 14 14 VAL HG21 H 1 1.02 . . 2 . . . . 13 . . . 1663 1 85 . 1 1 14 14 VAL HG22 H 1 1.02 . . 2 . . . . 13 . . . 1663 1 86 . 1 1 14 14 VAL HG23 H 1 1.02 . . 2 . . . . 13 . . . 1663 1 87 . 1 1 14 14 VAL N N 15 125.3 . . 1 . . . . 13 . . . 1663 1 88 . 1 1 15 15 PHE H H 1 8.1 . . 1 . . . . 14 . . . 1663 1 89 . 1 1 15 15 PHE HA H 1 5.03 . . 1 . . . . 14 . . . 1663 1 90 . 1 1 15 15 PHE HB2 H 1 2.87 . . 2 . . . . 14 . . . 1663 1 91 . 1 1 15 15 PHE HB3 H 1 3.26 . . 2 . . . . 14 . . . 1663 1 92 . 1 1 15 15 PHE HD1 H 1 7.18 . . 1 . . . . 14 . . . 1663 1 93 . 1 1 15 15 PHE HD2 H 1 7.18 . . 1 . . . . 14 . . . 1663 1 94 . 1 1 15 15 PHE N N 15 127.3 . . 1 . . . . 14 . . . 1663 1 95 . 1 1 16 16 VAL H H 1 9.09 . . 1 . . . . 15 . . . 1663 1 96 . 1 1 16 16 VAL HA H 1 5.16 . . 1 . . . . 15 . . . 1663 1 97 . 1 1 16 16 VAL HB H 1 1.61 . . 1 . . . . 15 . . . 1663 1 98 . 1 1 16 16 VAL HG11 H 1 .57 . . 2 . . . . 15 . . . 1663 1 99 . 1 1 16 16 VAL HG12 H 1 .57 . . 2 . . . . 15 . . . 1663 1 100 . 1 1 16 16 VAL HG13 H 1 .57 . . 2 . . . . 15 . . . 1663 1 101 . 1 1 16 16 VAL HG21 H 1 .75 . . 2 . . . . 15 . . . 1663 1 102 . 1 1 16 16 VAL HG22 H 1 .75 . . 2 . . . . 15 . . . 1663 1 103 . 1 1 16 16 VAL HG23 H 1 .75 . . 2 . . . . 15 . . . 1663 1 104 . 1 1 16 16 VAL N N 15 123.2 . . 1 . . . . 15 . . . 1663 1 105 . 1 1 17 17 SER H H 1 8.61 . . 1 . . . . 16 . . . 1663 1 106 . 1 1 17 17 SER HA H 1 4.37 . . 1 . . . . 16 . . . 1663 1 107 . 1 1 17 17 SER HB2 H 1 3.76 . . 2 . . . . 16 . . . 1663 1 108 . 1 1 17 17 SER HB3 H 1 4.58 . . 2 . . . . 16 . . . 1663 1 109 . 1 1 17 17 SER N N 15 110.2 . . 1 . . . . 16 . . . 1663 1 110 . 1 1 19 19 ILE H H 1 7.17 . . 1 . . . . 18 . . . 1663 1 111 . 1 1 19 19 ILE HA H 1 4.62 . . 1 . . . . 18 . . . 1663 1 112 . 1 1 19 19 ILE HB H 1 1.37 . . 1 . . . . 18 . . . 1663 1 113 . 1 1 19 19 ILE HG21 H 1 1.13 . . 1 . . . . 18 . . . 1663 1 114 . 1 1 19 19 ILE HG22 H 1 1.13 . . 1 . . . . 18 . . . 1663 1 115 . 1 1 19 19 ILE HG23 H 1 1.13 . . 1 . . . . 18 . . . 1663 1 116 . 1 1 19 19 ILE N N 15 115.3 . . 1 . . . . 18 . . . 1663 1 117 . 1 1 20 20 THR H H 1 9.32 . . 1 . . . . 19 . . . 1663 1 118 . 1 1 20 20 THR HA H 1 4.97 . . 1 . . . . 19 . . . 1663 1 119 . 1 1 20 20 THR HB H 1 4.1 . . 1 . . . . 19 . . . 1663 1 120 . 1 1 20 20 THR HG21 H 1 1.44 . . 1 . . . . 19 . . . 1663 1 121 . 1 1 20 20 THR HG22 H 1 1.44 . . 1 . . . . 19 . . . 1663 1 122 . 1 1 20 20 THR HG23 H 1 1.44 . . 1 . . . . 19 . . . 1663 1 123 . 1 1 20 20 THR N N 15 125 . . 1 . . . . 19 . . . 1663 1 124 . 1 1 21 21 GLY H H 1 8.8 . . 1 . . . . 20 . . . 1663 1 125 . 1 1 21 21 GLY HA2 H 1 4.09 . . 2 . . . . 20 . . . 1663 1 126 . 1 1 21 21 GLY HA3 H 1 4.72 . . 2 . . . . 20 . . . 1663 1 127 . 1 1 21 21 GLY N N 15 115.3 . . 1 . . . . 20 . . . 1663 1 128 . 1 1 22 22 GLU H H 1 8.07 . . 1 . . . . 21 . . . 1663 1 129 . 1 1 22 22 GLU HA H 1 4.85 . . 1 . . . . 21 . . . 1663 1 130 . 1 1 22 22 GLU HB2 H 1 2.1 . . 2 . . . . 21 . . . 1663 1 131 . 1 1 22 22 GLU HB3 H 1 2.18 . . 2 . . . . 21 . . . 1663 1 132 . 1 1 22 22 GLU N N 15 120.4 . . 1 . . . . 21 . . . 1663 1 133 . 1 1 23 23 ILE H H 1 8.8 . . 1 . . . . 22 . . . 1663 1 134 . 1 1 23 23 ILE HA H 1 4.95 . . 1 . . . . 22 . . . 1663 1 135 . 1 1 23 23 ILE HB H 1 1.66 . . 1 . . . . 22 . . . 1663 1 136 . 1 1 23 23 ILE HG21 H 1 .86 . . 1 . . . . 22 . . . 1663 1 137 . 1 1 23 23 ILE HG22 H 1 .86 . . 1 . . . . 22 . . . 1663 1 138 . 1 1 23 23 ILE HG23 H 1 .86 . . 1 . . . . 22 . . . 1663 1 139 . 1 1 23 23 ILE N N 15 128.7 . . 1 . . . . 22 . . . 1663 1 140 . 1 1 24 24 HIS H H 1 9.48 . . 1 . . . . 23 . . . 1663 1 141 . 1 1 24 24 HIS HA H 1 5.01 . . 1 . . . . 23 . . . 1663 1 142 . 1 1 24 24 HIS HB2 H 1 2.64 . . 2 . . . . 23 . . . 1663 1 143 . 1 1 24 24 HIS HB3 H 1 3.41 . . 2 . . . . 23 . . . 1663 1 144 . 1 1 24 24 HIS HD2 H 1 7.12 . . 1 . . . . 23 . . . 1663 1 145 . 1 1 24 24 HIS HE1 H 1 8.53 . . 1 . . . . 23 . . . 1663 1 146 . 1 1 24 24 HIS N N 15 125.1 . . 1 . . . . 23 . . . 1663 1 147 . 1 1 25 25 PRO HA H 1 5.03 . . 1 . . . . 24 . . . 1663 1 148 . 1 1 25 25 PRO HD2 H 1 3.78 . . 2 . . . . 24 . . . 1663 1 149 . 1 1 25 25 PRO HD3 H 1 4.04 . . 2 . . . . 24 . . . 1663 1 150 . 1 1 26 26 ILE H H 1 9.48 . . 1 . . . . 25 . . . 1663 1 151 . 1 1 26 26 ILE HA H 1 3.82 . . 1 . . . . 25 . . . 1663 1 152 . 1 1 26 26 ILE HB H 1 1.59 . . 1 . . . . 25 . . . 1663 1 153 . 1 1 26 26 ILE HG21 H 1 1.16 . . 1 . . . . 25 . . . 1663 1 154 . 1 1 26 26 ILE HG22 H 1 1.16 . . 1 . . . . 25 . . . 1663 1 155 . 1 1 26 26 ILE HG23 H 1 1.16 . . 1 . . . . 25 . . . 1663 1 156 . 1 1 26 26 ILE N N 15 122.8 . . 1 . . . . 25 . . . 1663 1 157 . 1 1 27 27 THR H H 1 7.09 . . 1 . . . . 26 . . . 1663 1 158 . 1 1 27 27 THR HA H 1 4.15 . . 1 . . . . 26 . . . 1663 1 159 . 1 1 27 27 THR HB H 1 4.52 . . 1 . . . . 26 . . . 1663 1 160 . 1 1 27 27 THR HG21 H 1 1.43 . . 1 . . . . 26 . . . 1663 1 161 . 1 1 27 27 THR HG22 H 1 1.43 . . 1 . . . . 26 . . . 1663 1 162 . 1 1 27 27 THR HG23 H 1 1.43 . . 1 . . . . 26 . . . 1663 1 163 . 1 1 27 27 THR N N 15 107.4 . . 1 . . . . 26 . . . 1663 1 164 . 1 1 28 28 ASP H H 1 7.53 . . 1 . . . . 27 . . . 1663 1 165 . 1 1 28 28 ASP HA H 1 4.74 . . 1 . . . . 27 . . . 1663 1 166 . 1 1 28 28 ASP HB2 H 1 2.74 . . 2 . . . . 27 . . . 1663 1 167 . 1 1 28 28 ASP HB3 H 1 2.81 . . 2 . . . . 27 . . . 1663 1 168 . 1 1 28 28 ASP N N 15 119.5 . . 1 . . . . 27 . . . 1663 1 169 . 1 1 29 29 VAL H H 1 7.41 . . 1 . . . . 28 . . . 1663 1 170 . 1 1 29 29 VAL HA H 1 3.8 . . 1 . . . . 28 . . . 1663 1 171 . 1 1 29 29 VAL HB H 1 2.09 . . 1 . . . . 28 . . . 1663 1 172 . 1 1 29 29 VAL HG11 H 1 .82 . . 2 . . . . 28 . . . 1663 1 173 . 1 1 29 29 VAL HG12 H 1 .82 . . 2 . . . . 28 . . . 1663 1 174 . 1 1 29 29 VAL HG13 H 1 .82 . . 2 . . . . 28 . . . 1663 1 175 . 1 1 29 29 VAL HG21 H 1 .74 . . 2 . . . . 28 . . . 1663 1 176 . 1 1 29 29 VAL HG22 H 1 .74 . . 2 . . . . 28 . . . 1663 1 177 . 1 1 29 29 VAL HG23 H 1 .74 . . 2 . . . . 28 . . . 1663 1 178 . 1 1 29 29 VAL N N 15 121.7 . . 1 . . . . 28 . . . 1663 1 179 . 1 1 31 31 ASP H H 1 8.29 . . 1 . . . . 30 . . . 1663 1 180 . 1 1 31 31 ASP HA H 1 4.69 . . 1 . . . . 30 . . . 1663 1 181 . 1 1 31 31 ASP HB2 H 1 2.58 . . 2 . . . . 30 . . . 1663 1 182 . 1 1 31 31 ASP HB3 H 1 2.96 . . 2 . . . . 30 . . . 1663 1 183 . 1 1 31 31 ASP N N 15 123.5 . . 1 . . . . 30 . . . 1663 1 184 . 1 1 33 33 VAL H H 1 7.9 . . 1 . . . . 32 . . . 1663 1 185 . 1 1 33 33 VAL HA H 1 3.73 . . 1 . . . . 32 . . . 1663 1 186 . 1 1 33 33 VAL HB H 1 1.65 . . 1 . . . . 32 . . . 1663 1 187 . 1 1 33 33 VAL HG11 H 1 .33 . . 2 . . . . 32 . . . 1663 1 188 . 1 1 33 33 VAL HG12 H 1 .33 . . 2 . . . . 32 . . . 1663 1 189 . 1 1 33 33 VAL HG13 H 1 .33 . . 2 . . . . 32 . . . 1663 1 190 . 1 1 33 33 VAL HG21 H 1 .79 . . 2 . . . . 32 . . . 1663 1 191 . 1 1 33 33 VAL HG22 H 1 .79 . . 2 . . . . 32 . . . 1663 1 192 . 1 1 33 33 VAL HG23 H 1 .79 . . 2 . . . . 32 . . . 1663 1 193 . 1 1 33 33 VAL N N 15 120 . . 1 . . . . 32 . . . 1663 1 194 . 1 1 34 34 PHE H H 1 9.18 . . 1 . . . . 33 . . . 1663 1 195 . 1 1 34 34 PHE HA H 1 4.36 . . 1 . . . . 33 . . . 1663 1 196 . 1 1 34 34 PHE HB2 H 1 2.65 . . 2 . . . . 33 . . . 1663 1 197 . 1 1 34 34 PHE HB3 H 1 2.9 . . 2 . . . . 33 . . . 1663 1 198 . 1 1 34 34 PHE HD1 H 1 7.07 . . 1 . . . . 33 . . . 1663 1 199 . 1 1 34 34 PHE HD2 H 1 7.07 . . 1 . . . . 33 . . . 1663 1 200 . 1 1 34 34 PHE HE1 H 1 6.71 . . 1 . . . . 33 . . . 1663 1 201 . 1 1 34 34 PHE HE2 H 1 6.71 . . 1 . . . . 33 . . . 1663 1 202 . 1 1 34 34 PHE HZ H 1 6.51 . . 1 . . . . 33 . . . 1663 1 203 . 1 1 34 34 PHE N N 15 119.2 . . 1 . . . . 33 . . . 1663 1 204 . 1 1 35 35 SER H H 1 9.32 . . 1 . . . . 34 . . . 1663 1 205 . 1 1 35 35 SER HA H 1 4.26 . . 1 . . . . 34 . . . 1663 1 206 . 1 1 35 35 SER N N 15 116.4 . . 1 . . . . 34 . . . 1663 1 207 . 1 1 36 36 GLY H H 1 7.36 . . 1 . . . . 35 . . . 1663 1 208 . 1 1 36 36 GLY HA2 H 1 3.6 . . 2 . . . . 35 . . . 1663 1 209 . 1 1 36 36 GLY HA3 H 1 4.26 . . 2 . . . . 35 . . . 1663 1 210 . 1 1 36 36 GLY N N 15 107 . . 1 . . . . 35 . . . 1663 1 211 . 1 1 37 37 LYS H H 1 8.07 . . 1 . . . . 36 . . . 1663 1 212 . 1 1 37 37 LYS HA H 1 4.12 . . 1 . . . . 36 . . . 1663 1 213 . 1 1 37 37 LYS HB2 H 1 2.08 . . 1 . . . . 36 . . . 1663 1 214 . 1 1 37 37 LYS HB3 H 1 2.08 . . 1 . . . . 36 . . . 1663 1 215 . 1 1 37 37 LYS N N 15 112.9 . . 1 . . . . 36 . . . 1663 1 216 . 1 1 38 38 MET H H 1 7.84 . . 1 . . . . 37 . . . 1663 1 217 . 1 1 38 38 MET HA H 1 4.15 . . 1 . . . . 37 . . . 1663 1 218 . 1 1 38 38 MET N N 15 116.4 . . 1 . . . . 37 . . . 1663 1 219 . 1 1 39 39 MET H H 1 8.24 . . 1 . . . . 38 . . . 1663 1 220 . 1 1 39 39 MET HA H 1 4.58 . . 1 . . . . 38 . . . 1663 1 221 . 1 1 39 39 MET HB2 H 1 1.94 . . 2 . . . . 38 . . . 1663 1 222 . 1 1 39 39 MET HB3 H 1 2.06 . . 2 . . . . 38 . . . 1663 1 223 . 1 1 39 39 MET N N 15 114.7 . . 1 . . . . 38 . . . 1663 1 224 . 1 1 40 40 GLY H H 1 6.74 . . 1 . . . . 39 . . . 1663 1 225 . 1 1 40 40 GLY HA2 H 1 3.73 . . 2 . . . . 39 . . . 1663 1 226 . 1 1 40 40 GLY HA3 H 1 4.65 . . 2 . . . . 39 . . . 1663 1 227 . 1 1 40 40 GLY N N 15 105.1 . . 1 . . . . 39 . . . 1663 1 228 . 1 1 41 41 ASP H H 1 7.37 . . 1 . . . . 40 . . . 1663 1 229 . 1 1 41 41 ASP HA H 1 5 . . 1 . . . . 40 . . . 1663 1 230 . 1 1 41 41 ASP HB2 H 1 2.72 . . 2 . . . . 40 . . . 1663 1 231 . 1 1 41 41 ASP HB3 H 1 2.88 . . 2 . . . . 40 . . . 1663 1 232 . 1 1 41 41 ASP N N 15 117.6 . . 1 . . . . 40 . . . 1663 1 233 . 1 1 42 42 GLY H H 1 9.22 . . 1 . . . . 41 . . . 1663 1 234 . 1 1 42 42 GLY HA2 H 1 4.05 . . 2 . . . . 41 . . . 1663 1 235 . 1 1 42 42 GLY HA3 H 1 5.28 . . 2 . . . . 41 . . . 1663 1 236 . 1 1 42 42 GLY N N 15 106.3 . . 1 . . . . 41 . . . 1663 1 237 . 1 1 43 43 PHE H H 1 9.16 . . 1 . . . . 42 . . . 1663 1 238 . 1 1 43 43 PHE HA H 1 4.89 . . 1 . . . . 42 . . . 1663 1 239 . 1 1 43 43 PHE HB2 H 1 3.15 . . 2 . . . . 42 . . . 1663 1 240 . 1 1 43 43 PHE HB3 H 1 3.3 . . 2 . . . . 42 . . . 1663 1 241 . 1 1 43 43 PHE HD1 H 1 7.1 . . 1 . . . . 42 . . . 1663 1 242 . 1 1 43 43 PHE HD2 H 1 7.1 . . 1 . . . . 42 . . . 1663 1 243 . 1 1 43 43 PHE N N 15 119.6 . . 1 . . . . 42 . . . 1663 1 244 . 1 1 44 44 ALA H H 1 9.26 . . 1 . . . . 43 . . . 1663 1 245 . 1 1 44 44 ALA HA H 1 5.2 . . 1 . . . . 43 . . . 1663 1 246 . 1 1 44 44 ALA HB1 H 1 .81 . . 1 . . . . 43 . . . 1663 1 247 . 1 1 44 44 ALA HB2 H 1 .81 . . 1 . . . . 43 . . . 1663 1 248 . 1 1 44 44 ALA HB3 H 1 .81 . . 1 . . . . 43 . . . 1663 1 249 . 1 1 44 44 ALA N N 15 120.8 . . 1 . . . . 43 . . . 1663 1 250 . 1 1 45 45 ILE H H 1 8.05 . . 1 . . . . 44 . . . 1663 1 251 . 1 1 45 45 ILE HA H 1 5.03 . . 1 . . . . 44 . . . 1663 1 252 . 1 1 45 45 ILE HB H 1 1.21 . . 1 . . . . 44 . . . 1663 1 253 . 1 1 45 45 ILE HG21 H 1 .4 . . 1 . . . . 44 . . . 1663 1 254 . 1 1 45 45 ILE HG22 H 1 .4 . . 1 . . . . 44 . . . 1663 1 255 . 1 1 45 45 ILE HG23 H 1 .4 . . 1 . . . . 44 . . . 1663 1 256 . 1 1 45 45 ILE N N 15 118.1 . . 1 . . . . 44 . . . 1663 1 257 . 1 1 46 46 LEU H H 1 9.44 . . 1 . . . . 45 . . . 1663 1 258 . 1 1 46 46 LEU HA H 1 4.85 . . 1 . . . . 45 . . . 1663 1 259 . 1 1 46 46 LEU HB2 H 1 2.22 . . 1 . . . . 45 . . . 1663 1 260 . 1 1 46 46 LEU HB3 H 1 2.22 . . 1 . . . . 45 . . . 1663 1 261 . 1 1 46 46 LEU N N 15 131.6 . . 1 . . . . 45 . . . 1663 1 262 . 1 1 47 47 PRO HD2 H 1 3.28 . . 2 . . . . 46 . . . 1663 1 263 . 1 1 47 47 PRO HD3 H 1 4.43 . . 2 . . . . 46 . . . 1663 1 264 . 1 1 48 48 SER H H 1 9.54 . . 1 . . . . 47 . . . 1663 1 265 . 1 1 48 48 SER HA H 1 4.6 . . 1 . . . . 47 . . . 1663 1 266 . 1 1 48 48 SER HB2 H 1 3.88 . . 2 . . . . 47 . . . 1663 1 267 . 1 1 48 48 SER HB3 H 1 4 . . 2 . . . . 47 . . . 1663 1 268 . 1 1 48 48 SER N N 15 115.5 . . 1 . . . . 47 . . . 1663 1 269 . 1 1 49 49 GLU H H 1 7.42 . . 1 . . . . 48 . . . 1663 1 270 . 1 1 49 49 GLU HA H 1 4.7 . . 1 . . . . 48 . . . 1663 1 271 . 1 1 49 49 GLU HB2 H 1 1.95 . . 1 . . . . 48 . . . 1663 1 272 . 1 1 49 49 GLU HB3 H 1 1.95 . . 1 . . . . 48 . . . 1663 1 273 . 1 1 49 49 GLU N N 15 118.1 . . 1 . . . . 48 . . . 1663 1 274 . 1 1 50 50 GLY H H 1 9.57 . . 1 . . . . 49 . . . 1663 1 275 . 1 1 50 50 GLY HA2 H 1 4.17 . . 2 . . . . 49 . . . 1663 1 276 . 1 1 50 50 GLY HA3 H 1 4.23 . . 2 . . . . 49 . . . 1663 1 277 . 1 1 50 50 GLY N N 15 112.2 . . 1 . . . . 49 . . . 1663 1 278 . 1 1 51 51 ILE H H 1 6.81 . . 1 . . . . 50 . . . 1663 1 279 . 1 1 51 51 ILE HA H 1 4.61 . . 1 . . . . 50 . . . 1663 1 280 . 1 1 51 51 ILE HB H 1 1.61 . . 1 . . . . 50 . . . 1663 1 281 . 1 1 51 51 ILE HG12 H 1 1.1 . . 2 . . . . 50 . . . 1663 1 282 . 1 1 51 51 ILE HG13 H 1 1.6 . . 2 . . . . 50 . . . 1663 1 283 . 1 1 51 51 ILE HG21 H 1 .78 . . 1 . . . . 50 . . . 1663 1 284 . 1 1 51 51 ILE HG22 H 1 .78 . . 1 . . . . 50 . . . 1663 1 285 . 1 1 51 51 ILE HG23 H 1 .78 . . 1 . . . . 50 . . . 1663 1 286 . 1 1 51 51 ILE N N 15 118.9 . . 1 . . . . 50 . . . 1663 1 287 . 1 1 52 52 VAL H H 1 8.85 . . 1 . . . . 51 . . . 1663 1 288 . 1 1 52 52 VAL HA H 1 4.96 . . 1 . . . . 51 . . . 1663 1 289 . 1 1 52 52 VAL HB H 1 2.08 . . 1 . . . . 51 . . . 1663 1 290 . 1 1 52 52 VAL HG11 H 1 .98 . . 2 . . . . 51 . . . 1663 1 291 . 1 1 52 52 VAL HG12 H 1 .98 . . 2 . . . . 51 . . . 1663 1 292 . 1 1 52 52 VAL HG13 H 1 .98 . . 2 . . . . 51 . . . 1663 1 293 . 1 1 52 52 VAL HG21 H 1 1.01 . . 2 . . . . 51 . . . 1663 1 294 . 1 1 52 52 VAL HG22 H 1 1.01 . . 2 . . . . 51 . . . 1663 1 295 . 1 1 52 52 VAL HG23 H 1 1.01 . . 2 . . . . 51 . . . 1663 1 296 . 1 1 52 52 VAL N N 15 127.2 . . 1 . . . . 51 . . . 1663 1 297 . 1 1 53 53 VAL H H 1 9.78 . . 1 . . . . 52 . . . 1663 1 298 . 1 1 53 53 VAL HA H 1 5.12 . . 1 . . . . 52 . . . 1663 1 299 . 1 1 53 53 VAL HB H 1 1.58 . . 1 . . . . 52 . . . 1663 1 300 . 1 1 53 53 VAL HG11 H 1 .69 . . 2 . . . . 52 . . . 1663 1 301 . 1 1 53 53 VAL HG12 H 1 .69 . . 2 . . . . 52 . . . 1663 1 302 . 1 1 53 53 VAL HG13 H 1 .69 . . 2 . . . . 52 . . . 1663 1 303 . 1 1 53 53 VAL HG21 H 1 .73 . . 2 . . . . 52 . . . 1663 1 304 . 1 1 53 53 VAL HG22 H 1 .73 . . 2 . . . . 52 . . . 1663 1 305 . 1 1 53 53 VAL HG23 H 1 .73 . . 2 . . . . 52 . . . 1663 1 306 . 1 1 53 53 VAL N N 15 122.4 . . 1 . . . . 52 . . . 1663 1 307 . 1 1 54 54 SER H H 1 8.73 . . 1 . . . . 53 . . . 1663 1 308 . 1 1 54 54 SER N N 15 110.4 . . 1 . . . . 53 . . . 1663 1 309 . 1 1 56 56 VAL H H 1 8.76 . . 1 . . . . 55 . . . 1663 1 310 . 1 1 56 56 VAL HA H 1 4.84 . . 1 . . . . 55 . . . 1663 1 311 . 1 1 56 56 VAL HB H 1 2.3 . . 1 . . . . 55 . . . 1663 1 312 . 1 1 56 56 VAL HG11 H 1 .3 . . 2 . . . . 55 . . . 1663 1 313 . 1 1 56 56 VAL HG12 H 1 .3 . . 2 . . . . 55 . . . 1663 1 314 . 1 1 56 56 VAL HG13 H 1 .3 . . 2 . . . . 55 . . . 1663 1 315 . 1 1 56 56 VAL HG21 H 1 1.02 . . 2 . . . . 55 . . . 1663 1 316 . 1 1 56 56 VAL HG22 H 1 1.02 . . 2 . . . . 55 . . . 1663 1 317 . 1 1 56 56 VAL HG23 H 1 1.02 . . 2 . . . . 55 . . . 1663 1 318 . 1 1 56 56 VAL N N 15 122 . . 1 . . . . 55 . . . 1663 1 319 . 1 1 57 57 ARG H H 1 7 . . 1 . . . . 56 . . . 1663 1 320 . 1 1 57 57 ARG HA H 1 4.85 . . 1 . . . . 56 . . . 1663 1 321 . 1 1 57 57 ARG HB2 H 1 1.23 . . 1 . . . . 56 . . . 1663 1 322 . 1 1 57 57 ARG HB3 H 1 1.23 . . 1 . . . . 56 . . . 1663 1 323 . 1 1 57 57 ARG N N 15 103.6 . . 1 . . . . 56 . . . 1663 1 324 . 1 1 58 58 GLY H H 1 8.33 . . 1 . . . . 57 . . . 1663 1 325 . 1 1 58 58 GLY HA2 H 1 4.31 . . 2 . . . . 57 . . . 1663 1 326 . 1 1 58 58 GLY HA3 H 1 4.42 . . 2 . . . . 57 . . . 1663 1 327 . 1 1 58 58 GLY N N 15 114.8 . . 1 . . . . 57 . . . 1663 1 328 . 1 1 59 59 LYS H H 1 8.85 . . 1 . . . . 58 . . . 1663 1 329 . 1 1 59 59 LYS HA H 1 5.52 . . 1 . . . . 58 . . . 1663 1 330 . 1 1 59 59 LYS HB2 H 1 1.58 . . 2 . . . . 58 . . . 1663 1 331 . 1 1 59 59 LYS HB3 H 1 1.66 . . 2 . . . . 58 . . . 1663 1 332 . 1 1 59 59 LYS N N 15 121.2 . . 1 . . . . 58 . . . 1663 1 333 . 1 1 60 60 ILE H H 1 8.79 . . 1 . . . . 59 . . . 1663 1 334 . 1 1 60 60 ILE HA H 1 4.08 . . 1 . . . . 59 . . . 1663 1 335 . 1 1 60 60 ILE HB H 1 2.39 . . 1 . . . . 59 . . . 1663 1 336 . 1 1 60 60 ILE HG21 H 1 .68 . . 1 . . . . 59 . . . 1663 1 337 . 1 1 60 60 ILE HG22 H 1 .68 . . 1 . . . . 59 . . . 1663 1 338 . 1 1 60 60 ILE HG23 H 1 .68 . . 1 . . . . 59 . . . 1663 1 339 . 1 1 60 60 ILE N N 15 121 . . 1 . . . . 59 . . . 1663 1 340 . 1 1 61 61 LEU H H 1 9.04 . . 1 . . . . 60 . . . 1663 1 341 . 1 1 61 61 LEU HA H 1 4.42 . . 1 . . . . 60 . . . 1663 1 342 . 1 1 61 61 LEU HB2 H 1 1.43 . . 1 . . . . 60 . . . 1663 1 343 . 1 1 61 61 LEU HB3 H 1 1.43 . . 1 . . . . 60 . . . 1663 1 344 . 1 1 61 61 LEU N N 15 130 . . 1 . . . . 60 . . . 1663 1 345 . 1 1 62 62 ASN H H 1 7.7 . . 1 . . . . 61 . . . 1663 1 346 . 1 1 62 62 ASN HA H 1 4.85 . . 1 . . . . 61 . . . 1663 1 347 . 1 1 62 62 ASN HB2 H 1 2.44 . . 1 . . . . 61 . . . 1663 1 348 . 1 1 62 62 ASN HB3 H 1 2.44 . . 1 . . . . 61 . . . 1663 1 349 . 1 1 62 62 ASN N N 15 113.2 . . 1 . . . . 61 . . . 1663 1 350 . 1 1 63 63 VAL H H 1 8.78 . . 1 . . . . 62 . . . 1663 1 351 . 1 1 63 63 VAL HA H 1 4.34 . . 1 . . . . 62 . . . 1663 1 352 . 1 1 63 63 VAL HB H 1 2.06 . . 1 . . . . 62 . . . 1663 1 353 . 1 1 63 63 VAL HG11 H 1 .79 . . 2 . . . . 62 . . . 1663 1 354 . 1 1 63 63 VAL HG12 H 1 .79 . . 2 . . . . 62 . . . 1663 1 355 . 1 1 63 63 VAL HG13 H 1 .79 . . 2 . . . . 62 . . . 1663 1 356 . 1 1 63 63 VAL HG21 H 1 .96 . . 2 . . . . 62 . . . 1663 1 357 . 1 1 63 63 VAL HG22 H 1 .96 . . 2 . . . . 62 . . . 1663 1 358 . 1 1 63 63 VAL HG23 H 1 .96 . . 2 . . . . 62 . . . 1663 1 359 . 1 1 63 63 VAL N N 15 124.2 . . 1 . . . . 62 . . . 1663 1 360 . 1 1 64 64 PHE H H 1 8.2 . . 1 . . . . 63 . . . 1663 1 361 . 1 1 64 64 PHE HA H 1 4.6 . . 1 . . . . 63 . . . 1663 1 362 . 1 1 64 64 PHE HB2 H 1 2.62 . . 2 . . . . 63 . . . 1663 1 363 . 1 1 64 64 PHE HB3 H 1 3.22 . . 2 . . . . 63 . . . 1663 1 364 . 1 1 64 64 PHE HD1 H 1 7.2 . . 1 . . . . 63 . . . 1663 1 365 . 1 1 64 64 PHE HD2 H 1 7.2 . . 1 . . . . 63 . . . 1663 1 366 . 1 1 64 64 PHE N N 15 126.6 . . 1 . . . . 63 . . . 1663 1 367 . 1 1 66 66 THR H H 1 7.18 . . 1 . . . . 65 . . . 1663 1 368 . 1 1 66 66 THR HA H 1 4.07 . . 1 . . . . 65 . . . 1663 1 369 . 1 1 66 66 THR HB H 1 4.83 . . 1 . . . . 65 . . . 1663 1 370 . 1 1 66 66 THR HG21 H 1 1.22 . . 1 . . . . 65 . . . 1663 1 371 . 1 1 66 66 THR HG22 H 1 1.22 . . 1 . . . . 65 . . . 1663 1 372 . 1 1 66 66 THR HG23 H 1 1.22 . . 1 . . . . 65 . . . 1663 1 373 . 1 1 66 66 THR N N 15 102.5 . . 1 . . . . 65 . . . 1663 1 374 . 1 1 67 67 LYS H H 1 8.37 . . 1 . . . . 66 . . . 1663 1 375 . 1 1 67 67 LYS HA H 1 3.49 . . 1 . . . . 66 . . . 1663 1 376 . 1 1 67 67 LYS HB2 H 1 2.04 . . 1 . . . . 66 . . . 1663 1 377 . 1 1 67 67 LYS HB3 H 1 2.04 . . 1 . . . . 66 . . . 1663 1 378 . 1 1 67 67 LYS N N 15 113.3 . . 1 . . . . 66 . . . 1663 1 379 . 1 1 68 68 HIS H H 1 6.95 . . 1 . . . . 67 . . . 1663 1 380 . 1 1 68 68 HIS HA H 1 3.96 . . 1 . . . . 67 . . . 1663 1 381 . 1 1 68 68 HIS HB2 H 1 1.2 . . 2 . . . . 67 . . . 1663 1 382 . 1 1 68 68 HIS HB3 H 1 2.87 . . 2 . . . . 67 . . . 1663 1 383 . 1 1 68 68 HIS HD2 H 1 5.42 . . 1 . . . . 67 . . . 1663 1 384 . 1 1 68 68 HIS HE1 H 1 7.27 . . 1 . . . . 67 . . . 1663 1 385 . 1 1 68 68 HIS N N 15 109.5 . . 1 . . . . 67 . . . 1663 1 386 . 1 1 69 69 ALA H H 1 6.22 . . 1 . . . . 68 . . . 1663 1 387 . 1 1 69 69 ALA HA H 1 5.02 . . 1 . . . . 68 . . . 1663 1 388 . 1 1 69 69 ALA HB1 H 1 -.02 . . 1 . . . . 68 . . . 1663 1 389 . 1 1 69 69 ALA HB2 H 1 -.02 . . 1 . . . . 68 . . . 1663 1 390 . 1 1 69 69 ALA HB3 H 1 -.02 . . 1 . . . . 68 . . . 1663 1 391 . 1 1 69 69 ALA N N 15 117.6 . . 1 . . . . 68 . . . 1663 1 392 . 1 1 70 70 ILE H H 1 8.41 . . 1 . . . . 69 . . . 1663 1 393 . 1 1 70 70 ILE HA H 1 4.77 . . 1 . . . . 69 . . . 1663 1 394 . 1 1 70 70 ILE HB H 1 1.51 . . 1 . . . . 69 . . . 1663 1 395 . 1 1 70 70 ILE HG21 H 1 .89 . . 1 . . . . 69 . . . 1663 1 396 . 1 1 70 70 ILE HG22 H 1 .89 . . 1 . . . . 69 . . . 1663 1 397 . 1 1 70 70 ILE HG23 H 1 .89 . . 1 . . . . 69 . . . 1663 1 398 . 1 1 70 70 ILE N N 15 118.9 . . 1 . . . . 69 . . . 1663 1 399 . 1 1 71 71 GLY H H 1 9.31 . . 1 . . . . 70 . . . 1663 1 400 . 1 1 71 71 GLY HA2 H 1 3.79 . . 2 . . . . 70 . . . 1663 1 401 . 1 1 71 71 GLY HA3 H 1 5.52 . . 2 . . . . 70 . . . 1663 1 402 . 1 1 71 71 GLY N N 15 113.2 . . 1 . . . . 70 . . . 1663 1 403 . 1 1 72 72 LEU H H 1 9.73 . . 1 . . . . 71 . . . 1663 1 404 . 1 1 72 72 LEU HA H 1 5.16 . . 1 . . . . 71 . . . 1663 1 405 . 1 1 72 72 LEU HB2 H 1 1.46 . . 2 . . . . 71 . . . 1663 1 406 . 1 1 72 72 LEU HB3 H 1 1.47 . . 2 . . . . 71 . . . 1663 1 407 . 1 1 72 72 LEU HG H 1 1.52 . . 1 . . . . 71 . . . 1663 1 408 . 1 1 72 72 LEU HD11 H 1 .67 . . 1 . . . . 71 . . . 1663 1 409 . 1 1 72 72 LEU HD12 H 1 .67 . . 1 . . . . 71 . . . 1663 1 410 . 1 1 72 72 LEU HD13 H 1 .67 . . 1 . . . . 71 . . . 1663 1 411 . 1 1 72 72 LEU HD21 H 1 .67 . . 1 . . . . 71 . . . 1663 1 412 . 1 1 72 72 LEU HD22 H 1 .67 . . 1 . . . . 71 . . . 1663 1 413 . 1 1 72 72 LEU HD23 H 1 .67 . . 1 . . . . 71 . . . 1663 1 414 . 1 1 72 72 LEU N N 15 124.7 . . 1 . . . . 71 . . . 1663 1 415 . 1 1 73 73 GLN H H 1 8.96 . . 1 . . . . 72 . . . 1663 1 416 . 1 1 73 73 GLN HA H 1 5.43 . . 1 . . . . 72 . . . 1663 1 417 . 1 1 73 73 GLN HB2 H 1 1.86 . . 2 . . . . 72 . . . 1663 1 418 . 1 1 73 73 GLN HB3 H 1 1.98 . . 2 . . . . 72 . . . 1663 1 419 . 1 1 73 73 GLN HG2 H 1 2.07 . . 2 . . . . 72 . . . 1663 1 420 . 1 1 73 73 GLN HG3 H 1 2.45 . . 2 . . . . 72 . . . 1663 1 421 . 1 1 73 73 GLN N N 15 120.4 . . 1 . . . . 72 . . . 1663 1 422 . 1 1 74 74 SER H H 1 10.07 . . 1 . . . . 73 . . . 1663 1 423 . 1 1 74 74 SER HA H 1 4.85 . . 1 . . . . 73 . . . 1663 1 424 . 1 1 74 74 SER HB2 H 1 3.86 . . 2 . . . . 73 . . . 1663 1 425 . 1 1 74 74 SER HB3 H 1 4.78 . . 2 . . . . 73 . . . 1663 1 426 . 1 1 74 74 SER N N 15 126.1 . . 1 . . . . 73 . . . 1663 1 427 . 1 1 75 75 ASP H H 1 8.39 . . 1 . . . . 74 . . . 1663 1 428 . 1 1 75 75 ASP HA H 1 4.57 . . 1 . . . . 74 . . . 1663 1 429 . 1 1 75 75 ASP HB2 H 1 1.85 . . 2 . . . . 74 . . . 1663 1 430 . 1 1 75 75 ASP HB3 H 1 2.15 . . 2 . . . . 74 . . . 1663 1 431 . 1 1 75 75 ASP N N 15 121.1 . . 1 . . . . 74 . . . 1663 1 432 . 1 1 76 76 GLY H H 1 8.14 . . 1 . . . . 75 . . . 1663 1 433 . 1 1 76 76 GLY HA2 H 1 3.58 . . 2 . . . . 75 . . . 1663 1 434 . 1 1 76 76 GLY HA3 H 1 4.44 . . 2 . . . . 75 . . . 1663 1 435 . 1 1 76 76 GLY N N 15 108.2 . . 1 . . . . 75 . . . 1663 1 436 . 1 1 77 77 GLY H H 1 8.93 . . 1 . . . . 76 . . . 1663 1 437 . 1 1 77 77 GLY HA2 H 1 3.68 . . 2 . . . . 76 . . . 1663 1 438 . 1 1 77 77 GLY HA3 H 1 4.15 . . 2 . . . . 76 . . . 1663 1 439 . 1 1 77 77 GLY N N 15 107.3 . . 1 . . . . 76 . . . 1663 1 440 . 1 1 78 78 ARG H H 1 8.23 . . 1 . . . . 77 . . . 1663 1 441 . 1 1 78 78 ARG HA H 1 4.59 . . 1 . . . . 77 . . . 1663 1 442 . 1 1 78 78 ARG N N 15 122.1 . . 1 . . . . 77 . . . 1663 1 443 . 1 1 79 79 GLU H H 1 8.93 . . 1 . . . . 78 . . . 1663 1 444 . 1 1 79 79 GLU HA H 1 5.15 . . 1 . . . . 78 . . . 1663 1 445 . 1 1 79 79 GLU HB2 H 1 1.71 . . 2 . . . . 78 . . . 1663 1 446 . 1 1 79 79 GLU HB3 H 1 1.87 . . 2 . . . . 78 . . . 1663 1 447 . 1 1 79 79 GLU HG2 H 1 2.07 . . 2 . . . . 78 . . . 1663 1 448 . 1 1 79 79 GLU HG3 H 1 2.36 . . 2 . . . . 78 . . . 1663 1 449 . 1 1 79 79 GLU N N 15 125.2 . . 1 . . . . 78 . . . 1663 1 450 . 1 1 80 80 ILE H H 1 8.9 . . 1 . . . . 79 . . . 1663 1 451 . 1 1 80 80 ILE HA H 1 5.07 . . 1 . . . . 79 . . . 1663 1 452 . 1 1 80 80 ILE HB H 1 1.33 . . 1 . . . . 79 . . . 1663 1 453 . 1 1 80 80 ILE HG21 H 1 .49 . . 1 . . . . 79 . . . 1663 1 454 . 1 1 80 80 ILE HG22 H 1 .49 . . 1 . . . . 79 . . . 1663 1 455 . 1 1 80 80 ILE HG23 H 1 .49 . . 1 . . . . 79 . . . 1663 1 456 . 1 1 80 80 ILE N N 15 124.4 . . 1 . . . . 79 . . . 1663 1 457 . 1 1 81 81 LEU H H 1 9.56 . . 1 . . . . 80 . . . 1663 1 458 . 1 1 81 81 LEU HA H 1 5.2 . . 1 . . . . 80 . . . 1663 1 459 . 1 1 81 81 LEU HB2 H 1 1.51 . . 2 . . . . 80 . . . 1663 1 460 . 1 1 81 81 LEU HB3 H 1 1.73 . . 2 . . . . 80 . . . 1663 1 461 . 1 1 81 81 LEU N N 15 130.3 . . 1 . . . . 80 . . . 1663 1 462 . 1 1 82 82 ILE H H 1 8.72 . . 1 . . . . 81 . . . 1663 1 463 . 1 1 82 82 ILE HA H 1 4.45 . . 1 . . . . 81 . . . 1663 1 464 . 1 1 82 82 ILE HB H 1 1.65 . . 1 . . . . 81 . . . 1663 1 465 . 1 1 82 82 ILE HG21 H 1 .67 . . 1 . . . . 81 . . . 1663 1 466 . 1 1 82 82 ILE HG22 H 1 .67 . . 1 . . . . 81 . . . 1663 1 467 . 1 1 82 82 ILE HG23 H 1 .67 . . 1 . . . . 81 . . . 1663 1 468 . 1 1 82 82 ILE N N 15 125 . . 1 . . . . 81 . . . 1663 1 469 . 1 1 83 83 HIS H H 1 8.04 . . 1 . . . . 82 . . . 1663 1 470 . 1 1 83 83 HIS HA H 1 4.61 . . 1 . . . . 82 . . . 1663 1 471 . 1 1 83 83 HIS HB2 H 1 2.32 . . 2 . . . . 82 . . . 1663 1 472 . 1 1 83 83 HIS HB3 H 1 2.75 . . 2 . . . . 82 . . . 1663 1 473 . 1 1 83 83 HIS HD2 H 1 6.71 . . 1 . . . . 82 . . . 1663 1 474 . 1 1 83 83 HIS HE1 H 1 7.87 . . 1 . . . . 82 . . . 1663 1 475 . 1 1 83 83 HIS N N 15 128.5 . . 1 . . . . 82 . . . 1663 1 476 . 1 1 84 84 PHE H H 1 9.14 . . 1 . . . . 83 . . . 1663 1 477 . 1 1 84 84 PHE HA H 1 4.49 . . 1 . . . . 83 . . . 1663 1 478 . 1 1 84 84 PHE HB2 H 1 2.44 . . 2 . . . . 83 . . . 1663 1 479 . 1 1 84 84 PHE HB3 H 1 3.6 . . 2 . . . . 83 . . . 1663 1 480 . 1 1 84 84 PHE HD1 H 1 7.01 . . 1 . . . . 83 . . . 1663 1 481 . 1 1 84 84 PHE HD2 H 1 7.01 . . 1 . . . . 83 . . . 1663 1 482 . 1 1 84 84 PHE N N 15 127.1 . . 1 . . . . 83 . . . 1663 1 483 . 1 1 85 85 GLY H H 1 7.6 . . 1 . . . . 84 . . . 1663 1 484 . 1 1 85 85 GLY HA2 H 1 3.35 . . 2 . . . . 84 . . . 1663 1 485 . 1 1 85 85 GLY HA3 H 1 3.71 . . 2 . . . . 84 . . . 1663 1 486 . 1 1 85 85 GLY N N 15 118.9 . . 1 . . . . 84 . . . 1663 1 487 . 1 1 86 86 ILE H H 1 7.18 . . 1 . . . . 85 . . . 1663 1 488 . 1 1 86 86 ILE HA H 1 4.68 . . 1 . . . . 85 . . . 1663 1 489 . 1 1 86 86 ILE HB H 1 1.89 . . 1 . . . . 85 . . . 1663 1 490 . 1 1 86 86 ILE HG21 H 1 .99 . . 1 . . . . 85 . . . 1663 1 491 . 1 1 86 86 ILE HG22 H 1 .99 . . 1 . . . . 85 . . . 1663 1 492 . 1 1 86 86 ILE HG23 H 1 .99 . . 1 . . . . 85 . . . 1663 1 493 . 1 1 86 86 ILE N N 15 113.3 . . 1 . . . . 85 . . . 1663 1 494 . 1 1 87 87 ASP H H 1 9.05 . . 1 . . . . 86 . . . 1663 1 495 . 1 1 87 87 ASP HA H 1 4.53 . . 1 . . . . 86 . . . 1663 1 496 . 1 1 87 87 ASP HB2 H 1 2.71 . . 2 . . . . 86 . . . 1663 1 497 . 1 1 87 87 ASP HB3 H 1 3.17 . . 2 . . . . 86 . . . 1663 1 498 . 1 1 87 87 ASP N N 15 119.9 . . 1 . . . . 86 . . . 1663 1 499 . 1 1 88 88 THR H H 1 7.94 . . 1 . . . . 87 . . . 1663 1 500 . 1 1 88 88 THR HA H 1 3.79 . . 1 . . . . 87 . . . 1663 1 501 . 1 1 88 88 THR HB H 1 4.04 . . 1 . . . . 87 . . . 1663 1 502 . 1 1 88 88 THR HG21 H 1 1.55 . . 1 . . . . 87 . . . 1663 1 503 . 1 1 88 88 THR HG22 H 1 1.55 . . 1 . . . . 87 . . . 1663 1 504 . 1 1 88 88 THR HG23 H 1 1.55 . . 1 . . . . 87 . . . 1663 1 505 . 1 1 88 88 THR N N 15 107.8 . . 1 . . . . 87 . . . 1663 1 506 . 1 1 89 89 VAL H H 1 8.32 . . 1 . . . . 88 . . . 1663 1 507 . 1 1 89 89 VAL HA H 1 3.38 . . 1 . . . . 88 . . . 1663 1 508 . 1 1 89 89 VAL HB H 1 1.8 . . 1 . . . . 88 . . . 1663 1 509 . 1 1 89 89 VAL HG11 H 1 .81 . . 2 . . . . 88 . . . 1663 1 510 . 1 1 89 89 VAL HG12 H 1 .81 . . 2 . . . . 88 . . . 1663 1 511 . 1 1 89 89 VAL HG13 H 1 .81 . . 2 . . . . 88 . . . 1663 1 512 . 1 1 89 89 VAL HG21 H 1 .99 . . 2 . . . . 88 . . . 1663 1 513 . 1 1 89 89 VAL HG22 H 1 .99 . . 2 . . . . 88 . . . 1663 1 514 . 1 1 89 89 VAL HG23 H 1 .99 . . 2 . . . . 88 . . . 1663 1 515 . 1 1 89 89 VAL N N 15 124.5 . . 1 . . . . 88 . . . 1663 1 516 . 1 1 90 90 SER H H 1 7.36 . . 1 . . . . 89 . . . 1663 1 517 . 1 1 90 90 SER HA H 1 4.16 . . 1 . . . . 89 . . . 1663 1 518 . 1 1 90 90 SER HB2 H 1 3.98 . . 2 . . . . 89 . . . 1663 1 519 . 1 1 90 90 SER HB3 H 1 4.01 . . 2 . . . . 89 . . . 1663 1 520 . 1 1 90 90 SER N N 15 116.4 . . 1 . . . . 89 . . . 1663 1 521 . 1 1 91 91 LEU H H 1 7.31 . . 1 . . . . 90 . . . 1663 1 522 . 1 1 91 91 LEU HA H 1 4.35 . . 1 . . . . 90 . . . 1663 1 523 . 1 1 91 91 LEU N N 15 120.3 . . 1 . . . . 90 . . . 1663 1 524 . 1 1 92 92 LYS H H 1 8.12 . . 1 . . . . 91 . . . 1663 1 525 . 1 1 92 92 LYS HA H 1 3.74 . . 1 . . . . 91 . . . 1663 1 526 . 1 1 92 92 LYS N N 15 114.9 . . 1 . . . . 91 . . . 1663 1 527 . 1 1 93 93 GLY H H 1 9.13 . . 1 . . . . 92 . . . 1663 1 528 . 1 1 93 93 GLY HA2 H 1 3.86 . . 2 . . . . 92 . . . 1663 1 529 . 1 1 93 93 GLY HA3 H 1 4.25 . . 2 . . . . 92 . . . 1663 1 530 . 1 1 93 93 GLY N N 15 107 . . 1 . . . . 92 . . . 1663 1 531 . 1 1 94 94 GLU H H 1 7.71 . . 1 . . . . 93 . . . 1663 1 532 . 1 1 94 94 GLU HA H 1 4.16 . . 1 . . . . 93 . . . 1663 1 533 . 1 1 94 94 GLU HB2 H 1 2.08 . . 1 . . . . 93 . . . 1663 1 534 . 1 1 94 94 GLU HB3 H 1 2.08 . . 1 . . . . 93 . . . 1663 1 535 . 1 1 94 94 GLU HG2 H 1 2.28 . . 1 . . . . 93 . . . 1663 1 536 . 1 1 94 94 GLU HG3 H 1 2.28 . . 1 . . . . 93 . . . 1663 1 537 . 1 1 94 94 GLU N N 15 123.6 . . 1 . . . . 93 . . . 1663 1 538 . 1 1 95 95 GLY H H 1 8.45 . . 1 . . . . 94 . . . 1663 1 539 . 1 1 95 95 GLY HA2 H 1 3.54 . . 2 . . . . 94 . . . 1663 1 540 . 1 1 95 95 GLY HA3 H 1 4.07 . . 2 . . . . 94 . . . 1663 1 541 . 1 1 95 95 GLY N N 15 110.9 . . 1 . . . . 94 . . . 1663 1 542 . 1 1 96 96 PHE H H 1 7.72 . . 1 . . . . 95 . . . 1663 1 543 . 1 1 96 96 PHE HA H 1 4.7 . . 1 . . . . 95 . . . 1663 1 544 . 1 1 96 96 PHE HB2 H 1 2.76 . . 2 . . . . 95 . . . 1663 1 545 . 1 1 96 96 PHE HB3 H 1 2.87 . . 2 . . . . 95 . . . 1663 1 546 . 1 1 96 96 PHE HD1 H 1 6.87 . . 1 . . . . 95 . . . 1663 1 547 . 1 1 96 96 PHE HD2 H 1 6.87 . . 1 . . . . 95 . . . 1663 1 548 . 1 1 96 96 PHE HE1 H 1 7.07 . . 1 . . . . 95 . . . 1663 1 549 . 1 1 96 96 PHE HE2 H 1 7.07 . . 1 . . . . 95 . . . 1663 1 550 . 1 1 96 96 PHE HZ H 1 7 . . 1 . . . . 95 . . . 1663 1 551 . 1 1 96 96 PHE N N 15 118.3 . . 1 . . . . 95 . . . 1663 1 552 . 1 1 97 97 THR H H 1 8.74 . . 1 . . . . 96 . . . 1663 1 553 . 1 1 97 97 THR HA H 1 4.41 . . 1 . . . . 96 . . . 1663 1 554 . 1 1 97 97 THR HB H 1 3.91 . . 1 . . . . 96 . . . 1663 1 555 . 1 1 97 97 THR HG21 H 1 .77 . . 1 . . . . 96 . . . 1663 1 556 . 1 1 97 97 THR HG22 H 1 .77 . . 1 . . . . 96 . . . 1663 1 557 . 1 1 97 97 THR HG23 H 1 .77 . . 1 . . . . 96 . . . 1663 1 558 . 1 1 97 97 THR N N 15 118.2 . . 1 . . . . 96 . . . 1663 1 559 . 1 1 98 98 SER H H 1 8.71 . . 1 . . . . 97 . . . 1663 1 560 . 1 1 98 98 SER HA H 1 5.15 . . 1 . . . . 97 . . . 1663 1 561 . 1 1 98 98 SER HB2 H 1 3.77 . . 2 . . . . 97 . . . 1663 1 562 . 1 1 98 98 SER HB3 H 1 3.76 . . 2 . . . . 97 . . . 1663 1 563 . 1 1 98 98 SER N N 15 119.3 . . 1 . . . . 97 . . . 1663 1 564 . 1 1 99 99 PHE H H 1 8.3 . . 1 . . . . 98 . . . 1663 1 565 . 1 1 99 99 PHE HA H 1 4.56 . . 1 . . . . 98 . . . 1663 1 566 . 1 1 99 99 PHE HB2 H 1 2.42 . . 2 . . . . 98 . . . 1663 1 567 . 1 1 99 99 PHE HB3 H 1 3.47 . . 2 . . . . 98 . . . 1663 1 568 . 1 1 99 99 PHE HD1 H 1 7.08 . . 1 . . . . 98 . . . 1663 1 569 . 1 1 99 99 PHE HD2 H 1 7.08 . . 1 . . . . 98 . . . 1663 1 570 . 1 1 99 99 PHE HE1 H 1 7.23 . . 1 . . . . 98 . . . 1663 1 571 . 1 1 99 99 PHE HE2 H 1 7.23 . . 1 . . . . 98 . . . 1663 1 572 . 1 1 99 99 PHE N N 15 120.8 . . 1 . . . . 98 . . . 1663 1 573 . 1 1 100 100 VAL H H 1 7.61 . . 1 . . . . 99 . . . 1663 1 574 . 1 1 100 100 VAL HA H 1 4.9 . . 1 . . . . 99 . . . 1663 1 575 . 1 1 100 100 VAL HB H 1 2.28 . . 1 . . . . 99 . . . 1663 1 576 . 1 1 100 100 VAL HG11 H 1 .83 . . 2 . . . . 99 . . . 1663 1 577 . 1 1 100 100 VAL HG12 H 1 .83 . . 2 . . . . 99 . . . 1663 1 578 . 1 1 100 100 VAL HG13 H 1 .83 . . 2 . . . . 99 . . . 1663 1 579 . 1 1 100 100 VAL HG21 H 1 1.05 . . 2 . . . . 99 . . . 1663 1 580 . 1 1 100 100 VAL HG22 H 1 1.05 . . 2 . . . . 99 . . . 1663 1 581 . 1 1 100 100 VAL HG23 H 1 1.05 . . 2 . . . . 99 . . . 1663 1 582 . 1 1 100 100 VAL N N 15 110.1 . . 1 . . . . 99 . . . 1663 1 583 . 1 1 101 101 SER H H 1 8.76 . . 1 . . . . 100 . . . 1663 1 584 . 1 1 101 101 SER HA H 1 4.66 . . 1 . . . . 100 . . . 1663 1 585 . 1 1 101 101 SER HB2 H 1 3.59 . . 2 . . . . 100 . . . 1663 1 586 . 1 1 101 101 SER HB3 H 1 3.81 . . 2 . . . . 100 . . . 1663 1 587 . 1 1 101 101 SER N N 15 115.9 . . 1 . . . . 100 . . . 1663 1 588 . 1 1 102 102 GLU H H 1 8.79 . . 1 . . . . 101 . . . 1663 1 589 . 1 1 102 102 GLU HA H 1 3.43 . . 1 . . . . 101 . . . 1663 1 590 . 1 1 102 102 GLU HB2 H 1 1.86 . . 2 . . . . 101 . . . 1663 1 591 . 1 1 102 102 GLU HB3 H 1 1.97 . . 2 . . . . 101 . . . 1663 1 592 . 1 1 102 102 GLU HG2 H 1 2.13 . . 2 . . . . 101 . . . 1663 1 593 . 1 1 102 102 GLU HG3 H 1 2.28 . . 2 . . . . 101 . . . 1663 1 594 . 1 1 102 102 GLU N N 15 121.9 . . 1 . . . . 101 . . . 1663 1 595 . 1 1 103 103 GLY H H 1 8.66 . . 1 . . . . 102 . . . 1663 1 596 . 1 1 103 103 GLY HA2 H 1 3.57 . . 2 . . . . 102 . . . 1663 1 597 . 1 1 103 103 GLY HA3 H 1 4.45 . . 2 . . . . 102 . . . 1663 1 598 . 1 1 103 103 GLY N N 15 113.7 . . 1 . . . . 102 . . . 1663 1 599 . 1 1 104 104 ASP H H 1 7.87 . . 1 . . . . 103 . . . 1663 1 600 . 1 1 104 104 ASP HA H 1 4.51 . . 1 . . . . 103 . . . 1663 1 601 . 1 1 104 104 ASP HB2 H 1 2.55 . . 2 . . . . 103 . . . 1663 1 602 . 1 1 104 104 ASP HB3 H 1 2.73 . . 2 . . . . 103 . . . 1663 1 603 . 1 1 104 104 ASP N N 15 121.1 . . 1 . . . . 103 . . . 1663 1 604 . 1 1 105 105 ARG H H 1 8.5 . . 1 . . . . 104 . . . 1663 1 605 . 1 1 105 105 ARG HA H 1 4.88 . . 1 . . . . 104 . . . 1663 1 606 . 1 1 105 105 ARG HB2 H 1 1.83 . . 2 . . . . 104 . . . 1663 1 607 . 1 1 105 105 ARG HB3 H 1 2.01 . . 2 . . . . 104 . . . 1663 1 608 . 1 1 105 105 ARG N N 15 121 . . 1 . . . . 104 . . . 1663 1 609 . 1 1 106 106 VAL H H 1 8.68 . . 1 . . . . 105 . . . 1663 1 610 . 1 1 106 106 VAL HA H 1 5.21 . . 1 . . . . 105 . . . 1663 1 611 . 1 1 106 106 VAL HB H 1 1.89 . . 1 . . . . 105 . . . 1663 1 612 . 1 1 106 106 VAL HG11 H 1 .53 . . 2 . . . . 105 . . . 1663 1 613 . 1 1 106 106 VAL HG12 H 1 .53 . . 2 . . . . 105 . . . 1663 1 614 . 1 1 106 106 VAL HG13 H 1 .53 . . 2 . . . . 105 . . . 1663 1 615 . 1 1 106 106 VAL HG21 H 1 .72 . . 2 . . . . 105 . . . 1663 1 616 . 1 1 106 106 VAL HG22 H 1 .72 . . 2 . . . . 105 . . . 1663 1 617 . 1 1 106 106 VAL HG23 H 1 .72 . . 2 . . . . 105 . . . 1663 1 618 . 1 1 106 106 VAL N N 15 113.6 . . 1 . . . . 105 . . . 1663 1 619 . 1 1 107 107 GLU H H 1 7.42 . . 1 . . . . 106 . . . 1663 1 620 . 1 1 107 107 GLU HA H 1 4.78 . . 1 . . . . 106 . . . 1663 1 621 . 1 1 107 107 GLU N N 15 120.7 . . 1 . . . . 106 . . . 1663 1 622 . 1 1 108 108 PRO HA H 1 3.85 . . 1 . . . . 107 . . . 1663 1 623 . 1 1 108 108 PRO HD2 H 1 3.36 . . 2 . . . . 107 . . . 1663 1 624 . 1 1 108 108 PRO HD3 H 1 3.72 . . 2 . . . . 107 . . . 1663 1 625 . 1 1 109 109 GLY H H 1 9.48 . . 1 . . . . 108 . . . 1663 1 626 . 1 1 109 109 GLY HA2 H 1 3.09 . . 2 . . . . 108 . . . 1663 1 627 . 1 1 109 109 GLY HA3 H 1 4.3 . . 2 . . . . 108 . . . 1663 1 628 . 1 1 109 109 GLY N N 15 111.1 . . 1 . . . . 108 . . . 1663 1 629 . 1 1 110 110 GLN H H 1 7.93 . . 1 . . . . 109 . . . 1663 1 630 . 1 1 110 110 GLN HA H 1 4.09 . . 1 . . . . 109 . . . 1663 1 631 . 1 1 110 110 GLN HB2 H 1 1.8 . . 1 . . . . 109 . . . 1663 1 632 . 1 1 110 110 GLN HB3 H 1 1.8 . . 1 . . . . 109 . . . 1663 1 633 . 1 1 110 110 GLN HG2 H 1 2.26 . . 1 . . . . 109 . . . 1663 1 634 . 1 1 110 110 GLN HG3 H 1 2.26 . . 1 . . . . 109 . . . 1663 1 635 . 1 1 110 110 GLN N N 15 122.2 . . 1 . . . . 109 . . . 1663 1 636 . 1 1 111 111 LYS H H 1 8.75 . . 1 . . . . 110 . . . 1663 1 637 . 1 1 111 111 LYS HA H 1 3.82 . . 1 . . . . 110 . . . 1663 1 638 . 1 1 111 111 LYS N N 15 127.6 . . 1 . . . . 110 . . . 1663 1 639 . 1 1 112 112 LEU H H 1 9.3 . . 1 . . . . 111 . . . 1663 1 640 . 1 1 112 112 LEU HA H 1 4.68 . . 1 . . . . 111 . . . 1663 1 641 . 1 1 112 112 LEU HB2 H 1 1.58 . . 1 . . . . 111 . . . 1663 1 642 . 1 1 112 112 LEU HB3 H 1 1.58 . . 1 . . . . 111 . . . 1663 1 643 . 1 1 112 112 LEU N N 15 121.5 . . 1 . . . . 111 . . . 1663 1 644 . 1 1 113 113 LEU H H 1 7.79 . . 1 . . . . 112 . . . 1663 1 645 . 1 1 113 113 LEU HA H 1 5.56 . . 1 . . . . 112 . . . 1663 1 646 . 1 1 113 113 LEU HB2 H 1 1.38 . . 2 . . . . 112 . . . 1663 1 647 . 1 1 113 113 LEU HB3 H 1 1.48 . . 2 . . . . 112 . . . 1663 1 648 . 1 1 113 113 LEU HD11 H 1 .86 . . 2 . . . . 112 . . . 1663 1 649 . 1 1 113 113 LEU HD12 H 1 .86 . . 2 . . . . 112 . . . 1663 1 650 . 1 1 113 113 LEU HD13 H 1 .86 . . 2 . . . . 112 . . . 1663 1 651 . 1 1 113 113 LEU HD21 H 1 .88 . . 2 . . . . 112 . . . 1663 1 652 . 1 1 113 113 LEU HD22 H 1 .88 . . 2 . . . . 112 . . . 1663 1 653 . 1 1 113 113 LEU HD23 H 1 .88 . . 2 . . . . 112 . . . 1663 1 654 . 1 1 113 113 LEU N N 15 116.9 . . 1 . . . . 112 . . . 1663 1 655 . 1 1 114 114 GLU H H 1 9.02 . . 1 . . . . 113 . . . 1663 1 656 . 1 1 114 114 GLU HA H 1 4.97 . . 1 . . . . 113 . . . 1663 1 657 . 1 1 114 114 GLU HB2 H 1 1.99 . . 1 . . . . 113 . . . 1663 1 658 . 1 1 114 114 GLU HB3 H 1 1.99 . . 1 . . . . 113 . . . 1663 1 659 . 1 1 114 114 GLU HG2 H 1 2.17 . . 1 . . . . 113 . . . 1663 1 660 . 1 1 114 114 GLU HG3 H 1 2.17 . . 1 . . . . 113 . . . 1663 1 661 . 1 1 114 114 GLU N N 15 121.3 . . 1 . . . . 113 . . . 1663 1 662 . 1 1 115 115 VAL H H 1 8.69 . . 1 . . . . 114 . . . 1663 1 663 . 1 1 115 115 VAL HA H 1 4.27 . . 1 . . . . 114 . . . 1663 1 664 . 1 1 115 115 VAL HB H 1 1.07 . . 1 . . . . 114 . . . 1663 1 665 . 1 1 115 115 VAL HG11 H 1 .27 . . 2 . . . . 114 . . . 1663 1 666 . 1 1 115 115 VAL HG12 H 1 .27 . . 2 . . . . 114 . . . 1663 1 667 . 1 1 115 115 VAL HG13 H 1 .27 . . 2 . . . . 114 . . . 1663 1 668 . 1 1 115 115 VAL HG21 H 1 .18 . . 2 . . . . 114 . . . 1663 1 669 . 1 1 115 115 VAL HG22 H 1 .18 . . 2 . . . . 114 . . . 1663 1 670 . 1 1 115 115 VAL HG23 H 1 .18 . . 2 . . . . 114 . . . 1663 1 671 . 1 1 115 115 VAL N N 15 124.9 . . 1 . . . . 114 . . . 1663 1 672 . 1 1 116 116 ASP H H 1 8.45 . . 1 . . . . 115 . . . 1663 1 673 . 1 1 116 116 ASP HA H 1 4.58 . . 1 . . . . 115 . . . 1663 1 674 . 1 1 116 116 ASP HB2 H 1 2.42 . . 2 . . . . 115 . . . 1663 1 675 . 1 1 116 116 ASP HB3 H 1 2.82 . . 2 . . . . 115 . . . 1663 1 676 . 1 1 116 116 ASP N N 15 126.1 . . 1 . . . . 115 . . . 1663 1 677 . 1 1 117 117 LEU H H 1 8.23 . . 1 . . . . 116 . . . 1663 1 678 . 1 1 117 117 LEU HA H 1 3.7 . . 1 . . . . 116 . . . 1663 1 679 . 1 1 117 117 LEU HB2 H 1 1.42 . . 2 . . . . 116 . . . 1663 1 680 . 1 1 117 117 LEU HB3 H 1 1.89 . . 2 . . . . 116 . . . 1663 1 681 . 1 1 117 117 LEU HG H 1 1.74 . . 1 . . . . 116 . . . 1663 1 682 . 1 1 117 117 LEU HD11 H 1 .73 . . 2 . . . . 116 . . . 1663 1 683 . 1 1 117 117 LEU HD12 H 1 .73 . . 2 . . . . 116 . . . 1663 1 684 . 1 1 117 117 LEU HD13 H 1 .73 . . 2 . . . . 116 . . . 1663 1 685 . 1 1 117 117 LEU HD21 H 1 .8 . . 2 . . . . 116 . . . 1663 1 686 . 1 1 117 117 LEU HD22 H 1 .8 . . 2 . . . . 116 . . . 1663 1 687 . 1 1 117 117 LEU HD23 H 1 .8 . . 2 . . . . 116 . . . 1663 1 688 . 1 1 117 117 LEU N N 15 125.2 . . 1 . . . . 116 . . . 1663 1 689 . 1 1 118 118 ASP H H 1 8.03 . . 1 . . . . 117 . . . 1663 1 690 . 1 1 118 118 ASP HA H 1 4.35 . . 1 . . . . 117 . . . 1663 1 691 . 1 1 118 118 ASP HB2 H 1 2.58 . . 2 . . . . 117 . . . 1663 1 692 . 1 1 118 118 ASP HB3 H 1 2.7 . . 2 . . . . 117 . . . 1663 1 693 . 1 1 118 118 ASP N N 15 116.4 . . 1 . . . . 117 . . . 1663 1 694 . 1 1 119 119 ALA H H 1 7.21 . . 1 . . . . 118 . . . 1663 1 695 . 1 1 119 119 ALA HA H 1 4.19 . . 1 . . . . 118 . . . 1663 1 696 . 1 1 119 119 ALA HB1 H 1 1.34 . . 1 . . . . 118 . . . 1663 1 697 . 1 1 119 119 ALA HB2 H 1 1.34 . . 1 . . . . 118 . . . 1663 1 698 . 1 1 119 119 ALA HB3 H 1 1.34 . . 1 . . . . 118 . . . 1663 1 699 . 1 1 119 119 ALA N N 15 119.7 . . 1 . . . . 118 . . . 1663 1 700 . 1 1 120 120 VAL H H 1 7.61 . . 1 . . . . 119 . . . 1663 1 701 . 1 1 120 120 VAL HA H 1 3.88 . . 1 . . . . 119 . . . 1663 1 702 . 1 1 120 120 VAL HB H 1 1.74 . . 1 . . . . 119 . . . 1663 1 703 . 1 1 120 120 VAL HG11 H 1 .73 . . 2 . . . . 119 . . . 1663 1 704 . 1 1 120 120 VAL HG12 H 1 .73 . . 2 . . . . 119 . . . 1663 1 705 . 1 1 120 120 VAL HG13 H 1 .73 . . 2 . . . . 119 . . . 1663 1 706 . 1 1 120 120 VAL HG21 H 1 .87 . . 2 . . . . 119 . . . 1663 1 707 . 1 1 120 120 VAL HG22 H 1 .87 . . 2 . . . . 119 . . . 1663 1 708 . 1 1 120 120 VAL HG23 H 1 .87 . . 2 . . . . 119 . . . 1663 1 709 . 1 1 120 120 VAL N N 15 116 . . 1 . . . . 119 . . . 1663 1 710 . 1 1 121 121 LYS H H 1 8.43 . . 1 . . . . 120 . . . 1663 1 711 . 1 1 121 121 LYS HA H 1 3.95 . . 1 . . . . 120 . . . 1663 1 712 . 1 1 121 121 LYS N N 15 118.6 . . 1 . . . . 120 . . . 1663 1 713 . 1 1 122 122 PRO HD2 H 1 3.22 . . 2 . . . . 121 . . . 1663 1 714 . 1 1 122 122 PRO HD3 H 1 3.69 . . 2 . . . . 121 . . . 1663 1 715 . 1 1 123 123 ASN H H 1 7.85 . . 1 . . . . 122 . . . 1663 1 716 . 1 1 123 123 ASN HA H 1 4.91 . . 1 . . . . 122 . . . 1663 1 717 . 1 1 123 123 ASN HB2 H 1 2.58 . . 2 . . . . 122 . . . 1663 1 718 . 1 1 123 123 ASN HB3 H 1 3.08 . . 2 . . . . 122 . . . 1663 1 719 . 1 1 123 123 ASN N N 15 112 . . 1 . . . . 122 . . . 1663 1 720 . 1 1 124 124 VAL H H 1 7.25 . . 1 . . . . 123 . . . 1663 1 721 . 1 1 124 124 VAL HA H 1 5.05 . . 1 . . . . 123 . . . 1663 1 722 . 1 1 124 124 VAL HB H 1 2.84 . . 1 . . . . 123 . . . 1663 1 723 . 1 1 124 124 VAL HG11 H 1 .72 . . 2 . . . . 123 . . . 1663 1 724 . 1 1 124 124 VAL HG12 H 1 .72 . . 2 . . . . 123 . . . 1663 1 725 . 1 1 124 124 VAL HG13 H 1 .72 . . 2 . . . . 123 . . . 1663 1 726 . 1 1 124 124 VAL HG21 H 1 .9 . . 2 . . . . 123 . . . 1663 1 727 . 1 1 124 124 VAL HG22 H 1 .9 . . 2 . . . . 123 . . . 1663 1 728 . 1 1 124 124 VAL HG23 H 1 .9 . . 2 . . . . 123 . . . 1663 1 729 . 1 1 124 124 VAL N N 15 110.6 . . 1 . . . . 123 . . . 1663 1 730 . 1 1 125 125 PRO HA H 1 4.54 . . 1 . . . . 124 . . . 1663 1 731 . 1 1 125 125 PRO HD2 H 1 3.87 . . 2 . . . . 124 . . . 1663 1 732 . 1 1 125 125 PRO HD3 H 1 4.16 . . 2 . . . . 124 . . . 1663 1 733 . 1 1 126 126 SER H H 1 6.67 . . 1 . . . . 125 . . . 1663 1 734 . 1 1 126 126 SER HA H 1 4.39 . . 1 . . . . 125 . . . 1663 1 735 . 1 1 126 126 SER HB2 H 1 3.04 . . 2 . . . . 125 . . . 1663 1 736 . 1 1 126 126 SER HB3 H 1 4.06 . . 2 . . . . 125 . . . 1663 1 737 . 1 1 126 126 SER N N 15 105.6 . . 1 . . . . 125 . . . 1663 1 738 . 1 1 127 127 LEU H H 1 8.68 . . 1 . . . . 126 . . . 1663 1 739 . 1 1 127 127 LEU HA H 1 4.26 . . 1 . . . . 126 . . . 1663 1 740 . 1 1 127 127 LEU HB2 H 1 1.52 . . 2 . . . . 126 . . . 1663 1 741 . 1 1 127 127 LEU HB3 H 1 1.58 . . 2 . . . . 126 . . . 1663 1 742 . 1 1 127 127 LEU N N 15 123.8 . . 1 . . . . 126 . . . 1663 1 743 . 1 1 128 128 MET H H 1 8.52 . . 1 . . . . 127 . . . 1663 1 744 . 1 1 128 128 MET HA H 1 3.73 . . 1 . . . . 127 . . . 1663 1 745 . 1 1 128 128 MET N N 15 120.8 . . 1 . . . . 127 . . . 1663 1 746 . 1 1 129 129 THR H H 1 7.95 . . 1 . . . . 128 . . . 1663 1 747 . 1 1 129 129 THR HA H 1 4.98 . . 1 . . . . 128 . . . 1663 1 748 . 1 1 129 129 THR HB H 1 4.14 . . 1 . . . . 128 . . . 1663 1 749 . 1 1 129 129 THR HG21 H 1 .88 . . 1 . . . . 128 . . . 1663 1 750 . 1 1 129 129 THR HG22 H 1 .88 . . 1 . . . . 128 . . . 1663 1 751 . 1 1 129 129 THR HG23 H 1 .88 . . 1 . . . . 128 . . . 1663 1 752 . 1 1 129 129 THR N N 15 121.4 . . 1 . . . . 128 . . . 1663 1 753 . 1 1 130 130 PRO HA H 1 4.21 . . 1 . . . . 129 . . . 1663 1 754 . 1 1 130 130 PRO HD2 H 1 3.46 . . 2 . . . . 129 . . . 1663 1 755 . 1 1 130 130 PRO HD3 H 1 4.55 . . 2 . . . . 129 . . . 1663 1 756 . 1 1 131 131 ILE H H 1 8.53 . . 1 . . . . 130 . . . 1663 1 757 . 1 1 131 131 ILE HA H 1 4.46 . . 1 . . . . 130 . . . 1663 1 758 . 1 1 131 131 ILE HB H 1 .44 . . 1 . . . . 130 . . . 1663 1 759 . 1 1 131 131 ILE HG21 H 1 .42 . . 1 . . . . 130 . . . 1663 1 760 . 1 1 131 131 ILE HG22 H 1 .42 . . 1 . . . . 130 . . . 1663 1 761 . 1 1 131 131 ILE HG23 H 1 .42 . . 1 . . . . 130 . . . 1663 1 762 . 1 1 131 131 ILE N N 15 124.9 . . 1 . . . . 130 . . . 1663 1 763 . 1 1 132 132 VAL H H 1 8.8 . . 1 . . . . 131 . . . 1663 1 764 . 1 1 132 132 VAL HA H 1 4.59 . . 1 . . . . 131 . . . 1663 1 765 . 1 1 132 132 VAL HB H 1 1.89 . . 1 . . . . 131 . . . 1663 1 766 . 1 1 132 132 VAL HG11 H 1 .71 . . 2 . . . . 131 . . . 1663 1 767 . 1 1 132 132 VAL HG12 H 1 .71 . . 2 . . . . 131 . . . 1663 1 768 . 1 1 132 132 VAL HG13 H 1 .71 . . 2 . . . . 131 . . . 1663 1 769 . 1 1 132 132 VAL HG21 H 1 .86 . . 2 . . . . 131 . . . 1663 1 770 . 1 1 132 132 VAL HG22 H 1 .86 . . 2 . . . . 131 . . . 1663 1 771 . 1 1 132 132 VAL HG23 H 1 .86 . . 2 . . . . 131 . . . 1663 1 772 . 1 1 132 132 VAL N N 15 120.3 . . 1 . . . . 131 . . . 1663 1 773 . 1 1 133 133 PHE H H 1 9.21 . . 1 . . . . 132 . . . 1663 1 774 . 1 1 133 133 PHE HA H 1 5.23 . . 1 . . . . 132 . . . 1663 1 775 . 1 1 133 133 PHE HB2 H 1 2.98 . . 2 . . . . 132 . . . 1663 1 776 . 1 1 133 133 PHE HB3 H 1 3.22 . . 2 . . . . 132 . . . 1663 1 777 . 1 1 133 133 PHE HD1 H 1 7.3 . . 1 . . . . 132 . . . 1663 1 778 . 1 1 133 133 PHE HD2 H 1 7.3 . . 1 . . . . 132 . . . 1663 1 779 . 1 1 133 133 PHE HE1 H 1 6.91 . . 1 . . . . 132 . . . 1663 1 780 . 1 1 133 133 PHE HE2 H 1 6.91 . . 1 . . . . 132 . . . 1663 1 781 . 1 1 133 133 PHE HZ H 1 6.23 . . 1 . . . . 132 . . . 1663 1 782 . 1 1 133 133 PHE N N 15 125.1 . . 1 . . . . 132 . . . 1663 1 783 . 1 1 134 134 THR H H 1 8.36 . . 1 . . . . 133 . . . 1663 1 784 . 1 1 134 134 THR HA H 1 4.61 . . 1 . . . . 133 . . . 1663 1 785 . 1 1 134 134 THR HB H 1 4.59 . . 1 . . . . 133 . . . 1663 1 786 . 1 1 134 134 THR HG21 H 1 1.19 . . 1 . . . . 133 . . . 1663 1 787 . 1 1 134 134 THR HG22 H 1 1.19 . . 1 . . . . 133 . . . 1663 1 788 . 1 1 134 134 THR HG23 H 1 1.19 . . 1 . . . . 133 . . . 1663 1 789 . 1 1 134 134 THR N N 15 113.4 . . 1 . . . . 133 . . . 1663 1 790 . 1 1 135 135 ASN H H 1 8.22 . . 1 . . . . 134 . . . 1663 1 791 . 1 1 135 135 ASN HA H 1 5.18 . . 1 . . . . 134 . . . 1663 1 792 . 1 1 135 135 ASN HB2 H 1 2.65 . . 2 . . . . 134 . . . 1663 1 793 . 1 1 135 135 ASN HB3 H 1 3.11 . . 2 . . . . 134 . . . 1663 1 794 . 1 1 135 135 ASN N N 15 122.1 . . 1 . . . . 134 . . . 1663 1 795 . 1 1 136 136 LEU H H 1 8.46 . . 1 . . . . 135 . . . 1663 1 796 . 1 1 136 136 LEU HA H 1 4.18 . . 1 . . . . 135 . . . 1663 1 797 . 1 1 136 136 LEU HB2 H 1 1.7 . . 2 . . . . 135 . . . 1663 1 798 . 1 1 136 136 LEU HB3 H 1 1.87 . . 2 . . . . 135 . . . 1663 1 799 . 1 1 136 136 LEU N N 15 120.3 . . 1 . . . . 135 . . . 1663 1 800 . 1 1 137 137 ALA H H 1 8.97 . . 1 . . . . 136 . . . 1663 1 801 . 1 1 137 137 ALA HA H 1 4.38 . . 1 . . . . 136 . . . 1663 1 802 . 1 1 137 137 ALA HB1 H 1 1.34 . . 1 . . . . 136 . . . 1663 1 803 . 1 1 137 137 ALA HB2 H 1 1.34 . . 1 . . . . 136 . . . 1663 1 804 . 1 1 137 137 ALA HB3 H 1 1.34 . . 1 . . . . 136 . . . 1663 1 805 . 1 1 137 137 ALA N N 15 125.1 . . 1 . . . . 136 . . . 1663 1 806 . 1 1 138 138 GLU H H 1 8.52 . . 1 . . . . 137 . . . 1663 1 807 . 1 1 138 138 GLU HA H 1 4.04 . . 1 . . . . 137 . . . 1663 1 808 . 1 1 138 138 GLU N N 15 121.4 . . 1 . . . . 137 . . . 1663 1 809 . 1 1 139 139 GLY H H 1 8.73 . . 1 . . . . 138 . . . 1663 1 810 . 1 1 139 139 GLY HA2 H 1 3.68 . . 2 . . . . 138 . . . 1663 1 811 . 1 1 139 139 GLY HA3 H 1 4.25 . . 2 . . . . 138 . . . 1663 1 812 . 1 1 139 139 GLY N N 15 113.5 . . 1 . . . . 138 . . . 1663 1 813 . 1 1 140 140 GLU H H 1 7.81 . . 1 . . . . 139 . . . 1663 1 814 . 1 1 140 140 GLU HA H 1 4.83 . . 1 . . . . 139 . . . 1663 1 815 . 1 1 140 140 GLU HB2 H 1 1.65 . . 2 . . . . 139 . . . 1663 1 816 . 1 1 140 140 GLU HB3 H 1 2.35 . . 2 . . . . 139 . . . 1663 1 817 . 1 1 140 140 GLU HG2 H 1 1.97 . . 2 . . . . 139 . . . 1663 1 818 . 1 1 140 140 GLU HG3 H 1 2.18 . . 2 . . . . 139 . . . 1663 1 819 . 1 1 140 140 GLU N N 15 119.6 . . 1 . . . . 139 . . . 1663 1 820 . 1 1 141 141 THR H H 1 8.76 . . 1 . . . . 140 . . . 1663 1 821 . 1 1 141 141 THR HA H 1 4.66 . . 1 . . . . 140 . . . 1663 1 822 . 1 1 141 141 THR HB H 1 4.08 . . 1 . . . . 140 . . . 1663 1 823 . 1 1 141 141 THR HG21 H 1 1.12 . . 1 . . . . 140 . . . 1663 1 824 . 1 1 141 141 THR HG22 H 1 1.12 . . 1 . . . . 140 . . . 1663 1 825 . 1 1 141 141 THR HG23 H 1 1.12 . . 1 . . . . 140 . . . 1663 1 826 . 1 1 141 141 THR N N 15 114.1 . . 1 . . . . 140 . . . 1663 1 827 . 1 1 142 142 VAL H H 1 8.3 . . 1 . . . . 141 . . . 1663 1 828 . 1 1 142 142 VAL HA H 1 4.13 . . 1 . . . . 141 . . . 1663 1 829 . 1 1 142 142 VAL HB H 1 1.97 . . 1 . . . . 141 . . . 1663 1 830 . 1 1 142 142 VAL HG11 H 1 .66 . . 1 . . . . 141 . . . 1663 1 831 . 1 1 142 142 VAL HG12 H 1 .66 . . 1 . . . . 141 . . . 1663 1 832 . 1 1 142 142 VAL HG13 H 1 .66 . . 1 . . . . 141 . . . 1663 1 833 . 1 1 142 142 VAL HG21 H 1 .66 . . 1 . . . . 141 . . . 1663 1 834 . 1 1 142 142 VAL HG22 H 1 .66 . . 1 . . . . 141 . . . 1663 1 835 . 1 1 142 142 VAL HG23 H 1 .66 . . 1 . . . . 141 . . . 1663 1 836 . 1 1 142 142 VAL N N 15 121.9 . . 1 . . . . 141 . . . 1663 1 837 . 1 1 143 143 SER H H 1 8.9 . . 1 . . . . 142 . . . 1663 1 838 . 1 1 143 143 SER HA H 1 4.8 . . 1 . . . . 142 . . . 1663 1 839 . 1 1 143 143 SER HB2 H 1 3.61 . . 1 . . . . 142 . . . 1663 1 840 . 1 1 143 143 SER HB3 H 1 3.61 . . 1 . . . . 142 . . . 1663 1 841 . 1 1 143 143 SER N N 15 123.3 . . 1 . . . . 142 . . . 1663 1 842 . 1 1 144 144 ILE H H 1 8.76 . . 1 . . . . 143 . . . 1663 1 843 . 1 1 144 144 ILE HA H 1 4.05 . . 1 . . . . 143 . . . 1663 1 844 . 1 1 144 144 ILE HB H 1 1.82 . . 1 . . . . 143 . . . 1663 1 845 . 1 1 144 144 ILE HG21 H 1 .93 . . 1 . . . . 143 . . . 1663 1 846 . 1 1 144 144 ILE HG22 H 1 .93 . . 1 . . . . 143 . . . 1663 1 847 . 1 1 144 144 ILE HG23 H 1 .93 . . 1 . . . . 143 . . . 1663 1 848 . 1 1 144 144 ILE N N 15 125.3 . . 1 . . . . 143 . . . 1663 1 849 . 1 1 145 145 LYS H H 1 8.34 . . 1 . . . . 144 . . . 1663 1 850 . 1 1 145 145 LYS HA H 1 4.35 . . 1 . . . . 144 . . . 1663 1 851 . 1 1 145 145 LYS N N 15 125.8 . . 1 . . . . 144 . . . 1663 1 852 . 1 1 146 146 ALA H H 1 7.15 . . 1 . . . . 145 . . . 1663 1 853 . 1 1 146 146 ALA HA H 1 4.54 . . 1 . . . . 145 . . . 1663 1 854 . 1 1 146 146 ALA HB1 H 1 1.33 . . 1 . . . . 145 . . . 1663 1 855 . 1 1 146 146 ALA HB2 H 1 1.33 . . 1 . . . . 145 . . . 1663 1 856 . 1 1 146 146 ALA HB3 H 1 1.33 . . 1 . . . . 145 . . . 1663 1 857 . 1 1 146 146 ALA N N 15 121.4 . . 1 . . . . 145 . . . 1663 1 858 . 1 1 147 147 SER H H 1 8.04 . . 1 . . . . 146 . . . 1663 1 859 . 1 1 147 147 SER HA H 1 4.43 . . 1 . . . . 146 . . . 1663 1 860 . 1 1 147 147 SER HB2 H 1 3.7 . . 1 . . . . 146 . . . 1663 1 861 . 1 1 147 147 SER HB3 H 1 3.7 . . 1 . . . . 146 . . . 1663 1 862 . 1 1 147 147 SER N N 15 111.2 . . 1 . . . . 146 . . . 1663 1 863 . 1 1 148 148 GLY H H 1 8.71 . . 1 . . . . 147 . . . 1663 1 864 . 1 1 148 148 GLY HA2 H 1 3.71 . . 2 . . . . 147 . . . 1663 1 865 . 1 1 148 148 GLY HA3 H 1 4.1 . . 2 . . . . 147 . . . 1663 1 866 . 1 1 148 148 GLY N N 15 111.1 . . 1 . . . . 147 . . . 1663 1 867 . 1 1 149 149 SER H H 1 8.33 . . 1 . . . . 148 . . . 1663 1 868 . 1 1 149 149 SER HA H 1 4.92 . . 1 . . . . 148 . . . 1663 1 869 . 1 1 149 149 SER HB2 H 1 3.76 . . 2 . . . . 148 . . . 1663 1 870 . 1 1 149 149 SER HB3 H 1 3.88 . . 2 . . . . 148 . . . 1663 1 871 . 1 1 149 149 SER N N 15 120.3 . . 1 . . . . 148 . . . 1663 1 872 . 1 1 150 150 VAL H H 1 9.31 . . 1 . . . . 149 . . . 1663 1 873 . 1 1 150 150 VAL HA H 1 5.04 . . 1 . . . . 149 . . . 1663 1 874 . 1 1 150 150 VAL HB H 1 1.96 . . 1 . . . . 149 . . . 1663 1 875 . 1 1 150 150 VAL HG11 H 1 .81 . . 2 . . . . 149 . . . 1663 1 876 . 1 1 150 150 VAL HG12 H 1 .81 . . 2 . . . . 149 . . . 1663 1 877 . 1 1 150 150 VAL HG13 H 1 .81 . . 2 . . . . 149 . . . 1663 1 878 . 1 1 150 150 VAL HG21 H 1 .91 . . 2 . . . . 149 . . . 1663 1 879 . 1 1 150 150 VAL HG22 H 1 .91 . . 2 . . . . 149 . . . 1663 1 880 . 1 1 150 150 VAL HG23 H 1 .91 . . 2 . . . . 149 . . . 1663 1 881 . 1 1 150 150 VAL N N 15 118.1 . . 1 . . . . 149 . . . 1663 1 882 . 1 1 151 151 ASN H H 1 8.16 . . 1 . . . . 150 . . . 1663 1 883 . 1 1 151 151 ASN HA H 1 5.39 . . 1 . . . . 150 . . . 1663 1 884 . 1 1 151 151 ASN HB2 H 1 2.57 . . 2 . . . . 150 . . . 1663 1 885 . 1 1 151 151 ASN HB3 H 1 2.68 . . 2 . . . . 150 . . . 1663 1 886 . 1 1 151 151 ASN N N 15 119.1 . . 1 . . . . 150 . . . 1663 1 887 . 1 1 152 152 ARG H H 1 8.63 . . 1 . . . . 151 . . . 1663 1 888 . 1 1 152 152 ARG HA H 1 3.6 . . 1 . . . . 151 . . . 1663 1 889 . 1 1 152 152 ARG N N 15 120.7 . . 1 . . . . 151 . . . 1663 1 890 . 1 1 153 153 GLU H H 1 9.49 . . 1 . . . . 152 . . . 1663 1 891 . 1 1 153 153 GLU HA H 1 3.23 . . 1 . . . . 152 . . . 1663 1 892 . 1 1 153 153 GLU N N 15 113.5 . . 1 . . . . 152 . . . 1663 1 893 . 1 1 154 154 GLN H H 1 8.01 . . 1 . . . . 153 . . . 1663 1 894 . 1 1 154 154 GLN HA H 1 4.12 . . 1 . . . . 153 . . . 1663 1 895 . 1 1 154 154 GLN HB2 H 1 1.82 . . 1 . . . . 153 . . . 1663 1 896 . 1 1 154 154 GLN HB3 H 1 1.82 . . 1 . . . . 153 . . . 1663 1 897 . 1 1 154 154 GLN N N 15 121.7 . . 1 . . . . 153 . . . 1663 1 898 . 1 1 155 155 GLU H H 1 8.82 . . 1 . . . . 154 . . . 1663 1 899 . 1 1 155 155 GLU HA H 1 4.51 . . 1 . . . . 154 . . . 1663 1 900 . 1 1 155 155 GLU HB2 H 1 1.99 . . 2 . . . . 154 . . . 1663 1 901 . 1 1 155 155 GLU HB3 H 1 2.11 . . 2 . . . . 154 . . . 1663 1 902 . 1 1 155 155 GLU HG2 H 1 2.4 . . 2 . . . . 154 . . . 1663 1 903 . 1 1 155 155 GLU HG3 H 1 2.28 . . 2 . . . . 154 . . . 1663 1 904 . 1 1 155 155 GLU N N 15 125.6 . . 1 . . . . 154 . . . 1663 1 905 . 1 1 156 156 ASP H H 1 8.87 . . 1 . . . . 155 . . . 1663 1 906 . 1 1 156 156 ASP HA H 1 4.49 . . 1 . . . . 155 . . . 1663 1 907 . 1 1 156 156 ASP HB2 H 1 2.56 . . 2 . . . . 155 . . . 1663 1 908 . 1 1 156 156 ASP HB3 H 1 2.96 . . 2 . . . . 155 . . . 1663 1 909 . 1 1 156 156 ASP N N 15 117.1 . . 1 . . . . 155 . . . 1663 1 910 . 1 1 157 157 ILE H H 1 7.84 . . 1 . . . . 156 . . . 1663 1 911 . 1 1 157 157 ILE HA H 1 4.16 . . 1 . . . . 156 . . . 1663 1 912 . 1 1 157 157 ILE N N 15 108.2 . . 1 . . . . 156 . . . 1663 1 913 . 1 1 158 158 VAL H H 1 7.64 . . 1 . . . . 157 . . . 1663 1 914 . 1 1 158 158 VAL HA H 1 4.84 . . 1 . . . . 157 . . . 1663 1 915 . 1 1 158 158 VAL HB H 1 1.51 . . 1 . . . . 157 . . . 1663 1 916 . 1 1 158 158 VAL HG11 H 1 .13 . . 2 . . . . 157 . . . 1663 1 917 . 1 1 158 158 VAL HG12 H 1 .13 . . 2 . . . . 157 . . . 1663 1 918 . 1 1 158 158 VAL HG13 H 1 .13 . . 2 . . . . 157 . . . 1663 1 919 . 1 1 158 158 VAL HG21 H 1 .26 . . 2 . . . . 157 . . . 1663 1 920 . 1 1 158 158 VAL HG22 H 1 .26 . . 2 . . . . 157 . . . 1663 1 921 . 1 1 158 158 VAL HG23 H 1 .26 . . 2 . . . . 157 . . . 1663 1 922 . 1 1 158 158 VAL N N 15 114.3 . . 1 . . . . 157 . . . 1663 1 923 . 1 1 159 159 LYS H H 1 8.67 . . 1 . . . . 158 . . . 1663 1 924 . 1 1 159 159 LYS HA H 1 4.5 . . 1 . . . . 158 . . . 1663 1 925 . 1 1 159 159 LYS HB2 H 1 1.52 . . 2 . . . . 158 . . . 1663 1 926 . 1 1 159 159 LYS HB3 H 1 1.66 . . 2 . . . . 158 . . . 1663 1 927 . 1 1 159 159 LYS N N 15 121.8 . . 1 . . . . 158 . . . 1663 1 928 . 1 1 160 160 ILE H H 1 8.57 . . 1 . . . . 159 . . . 1663 1 929 . 1 1 160 160 ILE HA H 1 4.59 . . 1 . . . . 159 . . . 1663 1 930 . 1 1 160 160 ILE HB H 1 1.62 . . 1 . . . . 159 . . . 1663 1 931 . 1 1 160 160 ILE HG12 H 1 .57 . . 2 . . . . 159 . . . 1663 1 932 . 1 1 160 160 ILE HG13 H 1 .89 . . 2 . . . . 159 . . . 1663 1 933 . 1 1 160 160 ILE HG21 H 1 .58 . . 1 . . . . 159 . . . 1663 1 934 . 1 1 160 160 ILE HG22 H 1 .58 . . 1 . . . . 159 . . . 1663 1 935 . 1 1 160 160 ILE HG23 H 1 .58 . . 1 . . . . 159 . . . 1663 1 936 . 1 1 160 160 ILE HD11 H 1 -.07 . . 1 . . . . 159 . . . 1663 1 937 . 1 1 160 160 ILE HD12 H 1 -.07 . . 1 . . . . 159 . . . 1663 1 938 . 1 1 160 160 ILE HD13 H 1 -.07 . . 1 . . . . 159 . . . 1663 1 939 . 1 1 160 160 ILE N N 15 124.7 . . 1 . . . . 159 . . . 1663 1 940 . 1 1 161 161 GLU H H 1 8.88 . . 1 . . . . 160 . . . 1663 1 941 . 1 1 161 161 GLU HA H 1 4.62 . . 1 . . . . 160 . . . 1663 1 942 . 1 1 161 161 GLU HB2 H 1 1.76 . . 2 . . . . 160 . . . 1663 1 943 . 1 1 161 161 GLU HB3 H 1 2.02 . . 2 . . . . 160 . . . 1663 1 944 . 1 1 161 161 GLU HG2 H 1 2.1 . . 1 . . . . 160 . . . 1663 1 945 . 1 1 161 161 GLU HG3 H 1 2.1 . . 1 . . . . 160 . . . 1663 1 946 . 1 1 161 161 GLU N N 15 128.7 . . 1 . . . . 160 . . . 1663 1 947 . 1 1 162 162 LYS H H 1 7.83 . . 1 . . . . 161 . . . 1663 1 948 . 1 1 162 162 LYS HA H 1 4.41 . . 1 . . . . 161 . . . 1663 1 949 . 1 1 162 162 LYS HB2 H 1 1.67 . . 2 . . . . 161 . . . 1663 1 950 . 1 1 162 162 LYS HB3 H 1 1.77 . . 2 . . . . 161 . . . 1663 1 951 . 1 1 162 162 LYS N N 15 124.7 . . 1 . . . . 161 . . . 1663 1 stop_ save_