data_6731 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6731 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for BOFC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-18 _Entry.Accession_date 2005-07-18 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 Hayley Patterson . M. . 6731 2 James Brannigan . A. . 6731 3 Simon Cutting . M. . 6731 4 Keith Wilson . S. . 6731 5 Anthony Wilkinson . J. . 6731 6 Eiso Ab . . . 6731 7 Tammo Diercks . . . 6731 8 Gert Folkers . . . 6731 9 Rob 'de Jong' . . . 6731 10 Vincent Truffault . . . 6731 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6731 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 617 6731 '15N chemical shifts' 140 6731 '1H chemical shifts' 958 6731 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 . . 2007-01-29 2005-07-18 original author . 6731 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2BW2 'BMRB Entry Tracking System' 6731 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6731 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16049010 _Citation.Full_citation . _Citation.Title ; The structure of BofC, an inter-compartmental signalling factor in sporulation in Bacillus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 43 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 36214 _Citation.Page_last 36220 _Citation.Year 2005 _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 Hayley Patterson . M. . 6731 1 2 James Brannigan . A. . 6731 1 3 Simon Cutting . M. . 6731 1 4 Keith Wilson . S. . 6731 1 5 Anthony Wilkinson . J. . 6731 1 6 Eiso Ab . . . 6731 1 7 Tammo Diercks . . . 6731 1 8 Gert Folkers . . . 6731 1 9 Rob 'de Jong' . . . 6731 1 10 Vincent Truffault . . . 6731 1 11 Rob Kaptein . . . 6731 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacillus subtilis' 6731 1 BofC 6731 1 'sigma K checkpoint' 6731 1 Sporulation 6731 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BofC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BofC _Assembly.Entry_ID 6731 _Assembly.ID 1 _Assembly.Name BofC _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6731 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 BofC 1 $BofC . . . native . . . . . 6731 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 . PDB 2BW2 . . . . . . 6731 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BofC abbreviation 6731 1 BofC system 6731 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BofC _Entity.Sf_category entity _Entity.Sf_framecode BofC _Entity.Entry_ID 6731 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BofC _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 ; AEVEHYEPLQVHVQLEKVYL DGDVSIEHKHEKVFSMDDFW AAYAGWTLVEQKKGYVLFRK QMDDISPLSKVNGYIGVSDN GVISTFHGRPEPASEPIQSF FQIDLERLESHMQKNLLKGI PFRTKAEFEDVIEHMKTYSG ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BW2 . "Bofc From Bacillus Subtilis" . . . . . 100.00 140 100.00 100.00 6.26e-98 . . . . 6731 1 2 no DBJ BAI86261 . "forespore regulator of the sigma-K checkpoint [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 170 99.29 100.00 6.26e-98 . . . . 6731 1 3 no DBJ BAM53209 . "Bypass of forespore C, intercompartmentalsignalingfactor [Bacillus subtilis BEST7613]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 4 no DBJ BAM58851 . "Bypass of forespore C, intercompartmentalsignaling factor [Bacillus subtilis BEST7003]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 5 no DBJ GAK80383 . "Bypass of forespore C, intercompartmental signaling factor [Bacillus subtilis Miyagi-4]" . . . . . 100.00 170 99.29 100.00 6.26e-98 . . . . 6731 1 6 no EMBL CAA63621 . "bofC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 7 no EMBL CAB14735 . "Bypass of forespore C, intercompartmental signaling factor [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 8 no EMBL CAB75329 . "BofC protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 9 no EMBL CCU59263 . "bypass-of-forespore protein C, putative [Bacillus subtilis E1]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 10 no EMBL CEI58004 . "general stress protein BofC [Bacillus subtilis]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 11 no GB ADM38725 . "Bypass of forespore C, intercompartmental signaling factor [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 170 97.14 97.86 1.51e-94 . . . . 6731 1 12 no GB ADV93564 . "Bypass of forespore C, intercompartmental signaling factor [Bacillus subtilis BSn5]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 13 no GB AEP87620 . "sporulation protein BofC [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 100.00 170 97.14 97.86 1.31e-94 . . . . 6731 1 14 no GB AEP91767 . "protein bofC [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 15 no GB AFI29291 . "Bypass of forespore C, intercompartmental signaling factor [Bacillus sp. JS]" . . . . . 100.00 170 99.29 100.00 1.57e-97 . . . . 6731 1 16 no REF NP_390653 . "general stress protein BofC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 17 no REF WP_003222663 . "BofC [Bacillus subtilis]" . . . . . 100.00 170 97.14 97.86 1.51e-94 . . . . 6731 1 18 no REF WP_003229715 . "MULTISPECIES: BofC [Bacillales]" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 19 no REF WP_003237539 . "sporulation protein BofC [Bacillus subtilis]" . . . . . 100.00 170 97.86 97.86 2.35e-95 . . . . 6731 1 20 no REF WP_010331022 . "BofC [Bacillus vallismortis]" . . . . . 100.00 170 97.14 97.86 4.95e-94 . . . . 6731 1 21 no SP O05391 . "RecName: Full=Protein BofC; AltName: Full=Bypass-of-forespore protein C; Flags: Precursor [Bacillus subtilis subsp. subtilis st" . . . . . 100.00 170 100.00 100.00 3.11e-98 . . . . 6731 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BofC abbreviation 6731 1 BofC common 6731 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 6731 1 2 . GLU . 6731 1 3 . VAL . 6731 1 4 . GLU . 6731 1 5 . HIS . 6731 1 6 . TYR . 6731 1 7 . GLU . 6731 1 8 . PRO . 6731 1 9 . LEU . 6731 1 10 . GLN . 6731 1 11 . VAL . 6731 1 12 . HIS . 6731 1 13 . VAL . 6731 1 14 . GLN . 6731 1 15 . LEU . 6731 1 16 . GLU . 6731 1 17 . LYS . 6731 1 18 . VAL . 6731 1 19 . TYR . 6731 1 20 . LEU . 6731 1 21 . ASP . 6731 1 22 . GLY . 6731 1 23 . ASP . 6731 1 24 . VAL . 6731 1 25 . SER . 6731 1 26 . ILE . 6731 1 27 . GLU . 6731 1 28 . HIS . 6731 1 29 . LYS . 6731 1 30 . HIS . 6731 1 31 . GLU . 6731 1 32 . LYS . 6731 1 33 . VAL . 6731 1 34 . PHE . 6731 1 35 . SER . 6731 1 36 . MET . 6731 1 37 . ASP . 6731 1 38 . ASP . 6731 1 39 . PHE . 6731 1 40 . TRP . 6731 1 41 . ALA . 6731 1 42 . ALA . 6731 1 43 . TYR . 6731 1 44 . ALA . 6731 1 45 . GLY . 6731 1 46 . TRP . 6731 1 47 . THR . 6731 1 48 . LEU . 6731 1 49 . VAL . 6731 1 50 . GLU . 6731 1 51 . GLN . 6731 1 52 . LYS . 6731 1 53 . LYS . 6731 1 54 . GLY . 6731 1 55 . TYR . 6731 1 56 . VAL . 6731 1 57 . LEU . 6731 1 58 . PHE . 6731 1 59 . ARG . 6731 1 60 . LYS . 6731 1 61 . GLN . 6731 1 62 . MET . 6731 1 63 . ASP . 6731 1 64 . ASP . 6731 1 65 . ILE . 6731 1 66 . SER . 6731 1 67 . PRO . 6731 1 68 . LEU . 6731 1 69 . SER . 6731 1 70 . LYS . 6731 1 71 . VAL . 6731 1 72 . ASN . 6731 1 73 . GLY . 6731 1 74 . TYR . 6731 1 75 . ILE . 6731 1 76 . GLY . 6731 1 77 . VAL . 6731 1 78 . SER . 6731 1 79 . ASP . 6731 1 80 . ASN . 6731 1 81 . GLY . 6731 1 82 . VAL . 6731 1 83 . ILE . 6731 1 84 . SER . 6731 1 85 . THR . 6731 1 86 . PHE . 6731 1 87 . HIS . 6731 1 88 . GLY . 6731 1 89 . ARG . 6731 1 90 . PRO . 6731 1 91 . GLU . 6731 1 92 . PRO . 6731 1 93 . ALA . 6731 1 94 . SER . 6731 1 95 . GLU . 6731 1 96 . PRO . 6731 1 97 . ILE . 6731 1 98 . GLN . 6731 1 99 . SER . 6731 1 100 . PHE . 6731 1 101 . PHE . 6731 1 102 . GLN . 6731 1 103 . ILE . 6731 1 104 . ASP . 6731 1 105 . LEU . 6731 1 106 . GLU . 6731 1 107 . ARG . 6731 1 108 . LEU . 6731 1 109 . GLU . 6731 1 110 . SER . 6731 1 111 . HIS . 6731 1 112 . MET . 6731 1 113 . GLN . 6731 1 114 . LYS . 6731 1 115 . ASN . 6731 1 116 . LEU . 6731 1 117 . LEU . 6731 1 118 . LYS . 6731 1 119 . GLY . 6731 1 120 . ILE . 6731 1 121 . PRO . 6731 1 122 . PHE . 6731 1 123 . ARG . 6731 1 124 . THR . 6731 1 125 . LYS . 6731 1 126 . ALA . 6731 1 127 . GLU . 6731 1 128 . PHE . 6731 1 129 . GLU . 6731 1 130 . ASP . 6731 1 131 . VAL . 6731 1 132 . ILE . 6731 1 133 . GLU . 6731 1 134 . HIS . 6731 1 135 . MET . 6731 1 136 . LYS . 6731 1 137 . THR . 6731 1 138 . TYR . 6731 1 139 . SER . 6731 1 140 . GLY . 6731 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 6731 1 . GLU 2 2 6731 1 . VAL 3 3 6731 1 . GLU 4 4 6731 1 . HIS 5 5 6731 1 . TYR 6 6 6731 1 . GLU 7 7 6731 1 . PRO 8 8 6731 1 . LEU 9 9 6731 1 . GLN 10 10 6731 1 . VAL 11 11 6731 1 . HIS 12 12 6731 1 . VAL 13 13 6731 1 . GLN 14 14 6731 1 . LEU 15 15 6731 1 . GLU 16 16 6731 1 . LYS 17 17 6731 1 . VAL 18 18 6731 1 . TYR 19 19 6731 1 . LEU 20 20 6731 1 . ASP 21 21 6731 1 . GLY 22 22 6731 1 . ASP 23 23 6731 1 . VAL 24 24 6731 1 . SER 25 25 6731 1 . ILE 26 26 6731 1 . GLU 27 27 6731 1 . HIS 28 28 6731 1 . LYS 29 29 6731 1 . HIS 30 30 6731 1 . GLU 31 31 6731 1 . LYS 32 32 6731 1 . VAL 33 33 6731 1 . PHE 34 34 6731 1 . SER 35 35 6731 1 . MET 36 36 6731 1 . ASP 37 37 6731 1 . ASP 38 38 6731 1 . PHE 39 39 6731 1 . TRP 40 40 6731 1 . ALA 41 41 6731 1 . ALA 42 42 6731 1 . TYR 43 43 6731 1 . ALA 44 44 6731 1 . GLY 45 45 6731 1 . TRP 46 46 6731 1 . THR 47 47 6731 1 . LEU 48 48 6731 1 . VAL 49 49 6731 1 . GLU 50 50 6731 1 . GLN 51 51 6731 1 . LYS 52 52 6731 1 . LYS 53 53 6731 1 . GLY 54 54 6731 1 . TYR 55 55 6731 1 . VAL 56 56 6731 1 . LEU 57 57 6731 1 . PHE 58 58 6731 1 . ARG 59 59 6731 1 . LYS 60 60 6731 1 . GLN 61 61 6731 1 . MET 62 62 6731 1 . ASP 63 63 6731 1 . ASP 64 64 6731 1 . ILE 65 65 6731 1 . SER 66 66 6731 1 . PRO 67 67 6731 1 . LEU 68 68 6731 1 . SER 69 69 6731 1 . LYS 70 70 6731 1 . VAL 71 71 6731 1 . ASN 72 72 6731 1 . GLY 73 73 6731 1 . TYR 74 74 6731 1 . ILE 75 75 6731 1 . GLY 76 76 6731 1 . VAL 77 77 6731 1 . SER 78 78 6731 1 . ASP 79 79 6731 1 . ASN 80 80 6731 1 . GLY 81 81 6731 1 . VAL 82 82 6731 1 . ILE 83 83 6731 1 . SER 84 84 6731 1 . THR 85 85 6731 1 . PHE 86 86 6731 1 . HIS 87 87 6731 1 . GLY 88 88 6731 1 . ARG 89 89 6731 1 . PRO 90 90 6731 1 . GLU 91 91 6731 1 . PRO 92 92 6731 1 . ALA 93 93 6731 1 . SER 94 94 6731 1 . GLU 95 95 6731 1 . PRO 96 96 6731 1 . ILE 97 97 6731 1 . GLN 98 98 6731 1 . SER 99 99 6731 1 . PHE 100 100 6731 1 . PHE 101 101 6731 1 . GLN 102 102 6731 1 . ILE 103 103 6731 1 . ASP 104 104 6731 1 . LEU 105 105 6731 1 . GLU 106 106 6731 1 . ARG 107 107 6731 1 . LEU 108 108 6731 1 . GLU 109 109 6731 1 . SER 110 110 6731 1 . HIS 111 111 6731 1 . MET 112 112 6731 1 . GLN 113 113 6731 1 . LYS 114 114 6731 1 . ASN 115 115 6731 1 . LEU 116 116 6731 1 . LEU 117 117 6731 1 . LYS 118 118 6731 1 . GLY 119 119 6731 1 . ILE 120 120 6731 1 . PRO 121 121 6731 1 . PHE 122 122 6731 1 . ARG 123 123 6731 1 . THR 124 124 6731 1 . LYS 125 125 6731 1 . ALA 126 126 6731 1 . GLU 127 127 6731 1 . PHE 128 128 6731 1 . GLU 129 129 6731 1 . ASP 130 130 6731 1 . VAL 131 131 6731 1 . ILE 132 132 6731 1 . GLU 133 133 6731 1 . HIS 134 134 6731 1 . MET 135 135 6731 1 . LYS 136 136 6731 1 . THR 137 137 6731 1 . TYR 138 138 6731 1 . SER 139 139 6731 1 . GLY 140 140 6731 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 6731 _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 $BofC . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6731 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 6731 _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 $BofC . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6731 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 6731 _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 BofC '[U-15N; U-13C]' . . 1 $BofC . . 0.5 . . mM . . . . 6731 1 2 H2O . . . . . . . 90 . . % . . . . 6731 1 3 D2O . . . . . . . 10 . . % . . . . 6731 1 4 NaPO4 . . . . . . . 20 . . mM . . . . 6731 1 5 EDTA . . . . . . . 1 . . mM . . . . 6731 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_one _Sample_condition_list.Entry_ID 6731 _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 6.0 . pH 6731 1 pressure 1013 . hPa 6731 1 temperature 298 . K 6731 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6731 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6731 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 6731 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 6731 _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 $NMR_applied_experiment . . . . . . . . 1 $sample_one . . . 1 $condition_one . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6731 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 6731 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6731 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6731 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6731 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6731 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6731 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_one _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 $sample_one . 6731 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 GLU CA C 13 56.377 0.2 . 1 . . . . . . . . 6731 1 2 . 1 1 2 2 GLU HA H 1 4.320 0.02 . 1 . . . . . . . . 6731 1 3 . 1 1 2 2 GLU CB C 13 30.324 0.2 . 1 . . . . . . . . 6731 1 4 . 1 1 2 2 GLU HB2 H 1 1.864 0.02 . 2 . . . . . . . . 6731 1 5 . 1 1 2 2 GLU HB3 H 1 2.000 0.02 . 2 . . . . . . . . 6731 1 6 . 1 1 2 2 GLU CG C 13 36.137 0.2 . 1 . . . . . . . . 6731 1 7 . 1 1 2 2 GLU HG2 H 1 2.240 0.02 . 2 . . . . . . . . 6731 1 8 . 1 1 2 2 GLU HG3 H 1 2.242 0.02 . 2 . . . . . . . . 6731 1 9 . 1 1 2 2 GLU C C 13 176.257 0.2 . 1 . . . . . . . . 6731 1 10 . 1 1 3 3 VAL N N 15 120.934 0.15 . 1 . . . . . . . . 6731 1 11 . 1 1 3 3 VAL H H 1 8.198 0.02 . 1 . . . . . . . . 6731 1 12 . 1 1 3 3 VAL CA C 13 62.147 0.2 . 1 . . . . . . . . 6731 1 13 . 1 1 3 3 VAL HA H 1 4.024 0.02 . 1 . . . . . . . . 6731 1 14 . 1 1 3 3 VAL CB C 13 32.890 0.2 . 1 . . . . . . . . 6731 1 15 . 1 1 3 3 VAL HB H 1 1.963 0.02 . 1 . . . . . . . . 6731 1 16 . 1 1 3 3 VAL HG11 H 1 0.819 0.02 . 2 . . . . . . . . 6731 1 17 . 1 1 3 3 VAL HG12 H 1 0.819 0.02 . 2 . . . . . . . . 6731 1 18 . 1 1 3 3 VAL HG13 H 1 0.819 0.02 . 2 . . . . . . . . 6731 1 19 . 1 1 3 3 VAL HG21 H 1 0.851 0.02 . 2 . . . . . . . . 6731 1 20 . 1 1 3 3 VAL HG22 H 1 0.851 0.02 . 2 . . . . . . . . 6731 1 21 . 1 1 3 3 VAL HG23 H 1 0.851 0.02 . 2 . . . . . . . . 6731 1 22 . 1 1 3 3 VAL CG1 C 13 21.086 0.2 . 2 . . . . . . . . 6731 1 23 . 1 1 3 3 VAL CG2 C 13 20.403 0.2 . 2 . . . . . . . . 6731 1 24 . 1 1 3 3 VAL C C 13 175.757 0.2 . 1 . . . . . . . . 6731 1 25 . 1 1 4 4 GLU N N 15 124.499 0.15 . 1 . . . . . . . . 6731 1 26 . 1 1 4 4 GLU H H 1 8.379 0.02 . 1 . . . . . . . . 6731 1 27 . 1 1 4 4 GLU CA C 13 56.408 0.2 . 1 . . . . . . . . 6731 1 28 . 1 1 4 4 GLU HA H 1 4.152 0.02 . 1 . . . . . . . . 6731 1 29 . 1 1 4 4 GLU CB C 13 30.437 0.2 . 1 . . . . . . . . 6731 1 30 . 1 1 4 4 GLU HB2 H 1 1.803 0.02 . 1 . . . . . . . . 6731 1 31 . 1 1 4 4 GLU HB3 H 1 1.803 0.02 . 1 . . . . . . . . 6731 1 32 . 1 1 4 4 GLU CG C 13 36.187 0.2 . 1 . . . . . . . . 6731 1 33 . 1 1 4 4 GLU HG2 H 1 2.087 0.02 . 2 . . . . . . . . 6731 1 34 . 1 1 4 4 GLU HG3 H 1 2.143 0.02 . 2 . . . . . . . . 6731 1 35 . 1 1 4 4 GLU C C 13 175.787 0.2 . 1 . . . . . . . . 6731 1 36 . 1 1 5 5 HIS N N 15 120.096 0.15 . 1 . . . . . . . . 6731 1 37 . 1 1 5 5 HIS H H 1 8.323 0.02 . 1 . . . . . . . . 6731 1 38 . 1 1 5 5 HIS CA C 13 55.460 0.2 . 1 . . . . . . . . 6731 1 39 . 1 1 5 5 HIS HA H 1 4.580 0.02 . 1 . . . . . . . . 6731 1 40 . 1 1 5 5 HIS CB C 13 30.189 0.2 . 1 . . . . . . . . 6731 1 41 . 1 1 5 5 HIS HB2 H 1 3.001 0.02 . 2 . . . . . . . . 6731 1 42 . 1 1 5 5 HIS HB3 H 1 3.063 0.02 . 2 . . . . . . . . 6731 1 43 . 1 1 5 5 HIS C C 13 173.987 0.2 . 1 . . . . . . . . 6731 1 44 . 1 1 6 6 TYR N N 15 122.548 0.15 . 1 . . . . . . . . 6731 1 45 . 1 1 6 6 TYR H H 1 8.179 0.02 . 1 . . . . . . . . 6731 1 46 . 1 1 6 6 TYR CA C 13 57.513 0.2 . 1 . . . . . . . . 6731 1 47 . 1 1 6 6 TYR HA H 1 4.556 0.02 . 1 . . . . . . . . 6731 1 48 . 1 1 6 6 TYR CB C 13 39.164 0.2 . 1 . . . . . . . . 6731 1 49 . 1 1 6 6 TYR HB2 H 1 2.870 0.02 . 2 . . . . . . . . 6731 1 50 . 1 1 6 6 TYR HB3 H 1 2.985 0.02 . 2 . . . . . . . . 6731 1 51 . 1 1 6 6 TYR CD1 C 13 133.137 0.2 . 1 . . . . . . . . 6731 1 52 . 1 1 6 6 TYR HD1 H 1 7.045 0.02 . 1 . . . . . . . . 6731 1 53 . 1 1 6 6 TYR CE1 C 13 118.228 0.2 . 1 . . . . . . . . 6731 1 54 . 1 1 6 6 TYR HE1 H 1 6.740 0.02 . 1 . . . . . . . . 6731 1 55 . 1 1 6 6 TYR CE2 C 13 118.228 0.2 . 1 . . . . . . . . 6731 1 56 . 1 1 6 6 TYR HE2 H 1 6.740 0.02 . 1 . . . . . . . . 6731 1 57 . 1 1 6 6 TYR CD2 C 13 133.137 0.2 . 1 . . . . . . . . 6731 1 58 . 1 1 6 6 TYR HD2 H 1 7.045 0.02 . 1 . . . . . . . . 6731 1 59 . 1 1 6 6 TYR C C 13 174.917 0.2 . 1 . . . . . . . . 6731 1 60 . 1 1 7 7 GLU N N 15 124.157 0.15 . 1 . . . . . . . . 6731 1 61 . 1 1 7 7 GLU H H 1 8.186 0.02 . 1 . . . . . . . . 6731 1 62 . 1 1 7 7 GLU CA C 13 53.464 0.2 . 1 . . . . . . . . 6731 1 63 . 1 1 7 7 GLU HA H 1 4.559 0.02 . 1 . . . . . . . . 6731 1 64 . 1 1 7 7 GLU CB C 13 30.323 0.2 . 1 . . . . . . . . 6731 1 65 . 1 1 7 7 GLU HB2 H 1 1.770 0.02 . 2 . . . . . . . . 6731 1 66 . 1 1 7 7 GLU HB3 H 1 1.919 0.02 . 2 . . . . . . . . 6731 1 67 . 1 1 7 7 GLU CG C 13 35.797 0.2 . 1 . . . . . . . . 6731 1 68 . 1 1 7 7 GLU HG2 H 1 2.180 0.02 . 1 . . . . . . . . 6731 1 69 . 1 1 7 7 GLU HG3 H 1 2.180 0.02 . 1 . . . . . . . . 6731 1 70 . 1 1 7 7 GLU C C 13 173.587 0.2 . 1 . . . . . . . . 6731 1 71 . 1 1 8 8 PRO CD C 13 50.133 0.2 . 1 . . . . . . . . 6731 1 72 . 1 1 8 8 PRO CA C 13 62.370 0.2 . 1 . . . . . . . . 6731 1 73 . 1 1 8 8 PRO HA H 1 4.062 0.02 . 1 . . . . . . . . 6731 1 74 . 1 1 8 8 PRO CB C 13 31.332 0.2 . 1 . . . . . . . . 6731 1 75 . 1 1 8 8 PRO HB2 H 1 1.051 0.02 . 2 . . . . . . . . 6731 1 76 . 1 1 8 8 PRO HB3 H 1 1.227 0.02 . 2 . . . . . . . . 6731 1 77 . 1 1 8 8 PRO CG C 13 26.855 0.2 . 1 . . . . . . . . 6731 1 78 . 1 1 8 8 PRO HG2 H 1 1.706 0.02 . 1 . . . . . . . . 6731 1 79 . 1 1 8 8 PRO HG3 H 1 1.706 0.02 . 1 . . . . . . . . 6731 1 80 . 1 1 8 8 PRO HD2 H 1 3.573 0.02 . 2 . . . . . . . . 6731 1 81 . 1 1 8 8 PRO HD3 H 1 3.618 0.02 . 2 . . . . . . . . 6731 1 82 . 1 1 8 8 PRO C C 13 176.147 0.2 . 1 . . . . . . . . 6731 1 83 . 1 1 9 9 LEU N N 15 121.959 0.15 . 1 . . . . . . . . 6731 1 84 . 1 1 9 9 LEU H H 1 8.139 0.02 . 1 . . . . . . . . 6731 1 85 . 1 1 9 9 LEU CA C 13 54.367 0.2 . 1 . . . . . . . . 6731 1 86 . 1 1 9 9 LEU HA H 1 4.227 0.02 . 1 . . . . . . . . 6731 1 87 . 1 1 9 9 LEU CB C 13 43.093 0.2 . 1 . . . . . . . . 6731 1 88 . 1 1 9 9 LEU HB2 H 1 1.302 0.02 . 2 . . . . . . . . 6731 1 89 . 1 1 9 9 LEU HB3 H 1 1.399 0.02 . 2 . . . . . . . . 6731 1 90 . 1 1 9 9 LEU CG C 13 26.740 0.2 . 1 . . . . . . . . 6731 1 91 . 1 1 9 9 LEU HG H 1 1.439 0.02 . 1 . . . . . . . . 6731 1 92 . 1 1 9 9 LEU HD11 H 1 0.667 0.02 . 2 . . . . . . . . 6731 1 93 . 1 1 9 9 LEU HD12 H 1 0.667 0.02 . 2 . . . . . . . . 6731 1 94 . 1 1 9 9 LEU HD13 H 1 0.667 0.02 . 2 . . . . . . . . 6731 1 95 . 1 1 9 9 LEU HD21 H 1 0.689 0.02 . 2 . . . . . . . . 6731 1 96 . 1 1 9 9 LEU HD22 H 1 0.689 0.02 . 2 . . . . . . . . 6731 1 97 . 1 1 9 9 LEU HD23 H 1 0.689 0.02 . 2 . . . . . . . . 6731 1 98 . 1 1 9 9 LEU CD1 C 13 23.990 0.2 . 2 . . . . . . . . 6731 1 99 . 1 1 9 9 LEU CD2 C 13 24.808 0.2 . 2 . . . . . . . . 6731 1 100 . 1 1 9 9 LEU C C 13 176.017 0.2 . 1 . . . . . . . . 6731 1 101 . 1 1 10 10 GLN N N 15 122.236 0.15 . 1 . . . . . . . . 6731 1 102 . 1 1 10 10 GLN H H 1 8.212 0.02 . 1 . . . . . . . . 6731 1 103 . 1 1 10 10 GLN CA C 13 54.970 0.2 . 1 . . . . . . . . 6731 1 104 . 1 1 10 10 GLN HA H 1 4.789 0.02 . 1 . . . . . . . . 6731 1 105 . 1 1 10 10 GLN CB C 13 29.562 0.2 . 1 . . . . . . . . 6731 1 106 . 1 1 10 10 GLN HB2 H 1 1.829 0.02 . 2 . . . . . . . . 6731 1 107 . 1 1 10 10 GLN HB3 H 1 1.921 0.02 . 2 . . . . . . . . 6731 1 108 . 1 1 10 10 GLN CG C 13 33.956 0.2 . 1 . . . . . . . . 6731 1 109 . 1 1 10 10 GLN HG2 H 1 2.076 0.02 . 2 . . . . . . . . 6731 1 110 . 1 1 10 10 GLN HG3 H 1 2.199 0.02 . 2 . . . . . . . . 6731 1 111 . 1 1 10 10 GLN NE2 N 15 110.969 0.15 . 1 . . . . . . . . 6731 1 112 . 1 1 10 10 GLN HE21 H 1 6.667 0.02 . 2 . . . . . . . . 6731 1 113 . 1 1 10 10 GLN HE22 H 1 7.474 0.02 . 2 . . . . . . . . 6731 1 114 . 1 1 10 10 GLN C C 13 175.447 0.2 . 1 . . . . . . . . 6731 1 115 . 1 1 11 11 VAL N N 15 124.814 0.15 . 1 . . . . . . . . 6731 1 116 . 1 1 11 11 VAL H H 1 8.723 0.02 . 1 . . . . . . . . 6731 1 117 . 1 1 11 11 VAL CA C 13 61.227 0.2 . 1 . . . . . . . . 6731 1 118 . 1 1 11 11 VAL HA H 1 3.933 0.02 . 1 . . . . . . . . 6731 1 119 . 1 1 11 11 VAL CB C 13 35.125 0.2 . 1 . . . . . . . . 6731 1 120 . 1 1 11 11 VAL HB H 1 1.389 0.02 . 1 . . . . . . . . 6731 1 121 . 1 1 11 11 VAL HG11 H 1 0.251 0.02 . 2 . . . . . . . . 6731 1 122 . 1 1 11 11 VAL HG12 H 1 0.251 0.02 . 2 . . . . . . . . 6731 1 123 . 1 1 11 11 VAL HG13 H 1 0.251 0.02 . 2 . . . . . . . . 6731 1 124 . 1 1 11 11 VAL HG21 H 1 0.279 0.02 . 2 . . . . . . . . 6731 1 125 . 1 1 11 11 VAL HG22 H 1 0.279 0.02 . 2 . . . . . . . . 6731 1 126 . 1 1 11 11 VAL HG23 H 1 0.279 0.02 . 2 . . . . . . . . 6731 1 127 . 1 1 11 11 VAL CG1 C 13 21.273 0.2 . 2 . . . . . . . . 6731 1 128 . 1 1 11 11 VAL CG2 C 13 21.449 0.2 . 2 . . . . . . . . 6731 1 129 . 1 1 11 11 VAL C C 13 173.887 0.2 . 1 . . . . . . . . 6731 1 130 . 1 1 12 12 HIS N N 15 127.991 0.15 . 1 . . . . . . . . 6731 1 131 . 1 1 12 12 HIS H H 1 8.462 0.02 . 1 . . . . . . . . 6731 1 132 . 1 1 12 12 HIS CA C 13 53.523 0.2 . 1 . . . . . . . . 6731 1 133 . 1 1 12 12 HIS HA H 1 4.917 0.02 . 1 . . . . . . . . 6731 1 134 . 1 1 12 12 HIS CB C 13 30.287 0.2 . 1 . . . . . . . . 6731 1 135 . 1 1 12 12 HIS HB2 H 1 3.207 0.02 . 2 . . . . . . . . 6731 1 136 . 1 1 12 12 HIS HB3 H 1 3.558 0.02 . 2 . . . . . . . . 6731 1 137 . 1 1 12 12 HIS C C 13 172.257 0.2 . 1 . . . . . . . . 6731 1 138 . 1 1 13 13 VAL N N 15 128.363 0.15 . 1 . . . . . . . . 6731 1 139 . 1 1 13 13 VAL H H 1 9.132 0.02 . 1 . . . . . . . . 6731 1 140 . 1 1 13 13 VAL CA C 13 60.374 0.2 . 1 . . . . . . . . 6731 1 141 . 1 1 13 13 VAL HA H 1 4.396 0.02 . 1 . . . . . . . . 6731 1 142 . 1 1 13 13 VAL CB C 13 33.411 0.2 . 1 . . . . . . . . 6731 1 143 . 1 1 13 13 VAL HB H 1 1.780 0.02 . 1 . . . . . . . . 6731 1 144 . 1 1 13 13 VAL HG11 H 1 0.774 0.02 . 2 . . . . . . . . 6731 1 145 . 1 1 13 13 VAL HG12 H 1 0.774 0.02 . 2 . . . . . . . . 6731 1 146 . 1 1 13 13 VAL HG13 H 1 0.774 0.02 . 2 . . . . . . . . 6731 1 147 . 1 1 13 13 VAL HG21 H 1 0.479 0.02 . 2 . . . . . . . . 6731 1 148 . 1 1 13 13 VAL HG22 H 1 0.479 0.02 . 2 . . . . . . . . 6731 1 149 . 1 1 13 13 VAL HG23 H 1 0.479 0.02 . 2 . . . . . . . . 6731 1 150 . 1 1 13 13 VAL CG1 C 13 21.721 0.2 . 2 . . . . . . . . 6731 1 151 . 1 1 13 13 VAL CG2 C 13 21.785 0.2 . 2 . . . . . . . . 6731 1 152 . 1 1 13 13 VAL C C 13 173.437 0.2 . 1 . . . . . . . . 6731 1 153 . 1 1 14 14 GLN N N 15 130.178 0.15 . 1 . . . . . . . . 6731 1 154 . 1 1 14 14 GLN H H 1 8.819 0.02 . 1 . . . . . . . . 6731 1 155 . 1 1 14 14 GLN CA C 13 54.338 0.2 . 1 . . . . . . . . 6731 1 156 . 1 1 14 14 GLN HA H 1 4.747 0.02 . 1 . . . . . . . . 6731 1 157 . 1 1 14 14 GLN CB C 13 30.629 0.2 . 1 . . . . . . . . 6731 1 158 . 1 1 14 14 GLN CG C 13 34.467 0.2 . 1 . . . . . . . . 6731 1 159 . 1 1 14 14 GLN NE2 N 15 116.480 0.15 . 1 . . . . . . . . 6731 1 160 . 1 1 14 14 GLN HE21 H 1 7.103 0.02 . 2 . . . . . . . . 6731 1 161 . 1 1 14 14 GLN HE22 H 1 7.976 0.02 . 2 . . . . . . . . 6731 1 162 . 1 1 14 14 GLN C C 13 172.987 0.2 . 1 . . . . . . . . 6731 1 163 . 1 1 15 15 LEU N N 15 125.726 0.15 . 1 . . . . . . . . 6731 1 164 . 1 1 15 15 LEU H H 1 8.809 0.02 . 1 . . . . . . . . 6731 1 165 . 1 1 15 15 LEU CA C 13 53.392 0.2 . 1 . . . . . . . . 6731 1 166 . 1 1 15 15 LEU HA H 1 4.657 0.02 . 1 . . . . . . . . 6731 1 167 . 1 1 15 15 LEU CB C 13 42.689 0.2 . 1 . . . . . . . . 6731 1 168 . 1 1 15 15 LEU HB2 H 1 1.089 0.02 . 2 . . . . . . . . 6731 1 169 . 1 1 15 15 LEU HB3 H 1 1.579 0.02 . 2 . . . . . . . . 6731 1 170 . 1 1 15 15 LEU CG C 13 26.088 0.2 . 1 . . . . . . . . 6731 1 171 . 1 1 15 15 LEU HG H 1 1.048 0.02 . 1 . . . . . . . . 6731 1 172 . 1 1 15 15 LEU HD11 H 1 0.493 0.02 . 2 . . . . . . . . 6731 1 173 . 1 1 15 15 LEU HD12 H 1 0.493 0.02 . 2 . . . . . . . . 6731 1 174 . 1 1 15 15 LEU HD13 H 1 0.493 0.02 . 2 . . . . . . . . 6731 1 175 . 1 1 15 15 LEU HD21 H 1 -0.413 0.02 . 2 . . . . . . . . 6731 1 176 . 1 1 15 15 LEU HD22 H 1 -0.413 0.02 . 2 . . . . . . . . 6731 1 177 . 1 1 15 15 LEU HD23 H 1 -0.413 0.02 . 2 . . . . . . . . 6731 1 178 . 1 1 15 15 LEU CD1 C 13 25.341 0.2 . 2 . . . . . . . . 6731 1 179 . 1 1 15 15 LEU CD2 C 13 23.468 0.2 . 2 . . . . . . . . 6731 1 180 . 1 1 15 15 LEU C C 13 176.397 0.2 . 1 . . . . . . . . 6731 1 181 . 1 1 16 16 GLU N N 15 124.014 0.15 . 1 . . . . . . . . 6731 1 182 . 1 1 16 16 GLU H H 1 9.115 0.02 . 1 . . . . . . . . 6731 1 183 . 1 1 16 16 GLU CA C 13 54.912 0.2 . 1 . . . . . . . . 6731 1 184 . 1 1 16 16 GLU HA H 1 5.270 0.02 . 1 . . . . . . . . 6731 1 185 . 1 1 16 16 GLU CB C 13 31.982 0.2 . 1 . . . . . . . . 6731 1 186 . 1 1 16 16 GLU HB2 H 1 1.818 0.02 . 2 . . . . . . . . 6731 1 187 . 1 1 16 16 GLU HB3 H 1 2.045 0.02 . 2 . . . . . . . . 6731 1 188 . 1 1 16 16 GLU CG C 13 37.071 0.2 . 1 . . . . . . . . 6731 1 189 . 1 1 16 16 GLU HG2 H 1 2.242 0.02 . 2 . . . . . . . . 6731 1 190 . 1 1 16 16 GLU HG3 H 1 2.082 0.02 . 2 . . . . . . . . 6731 1 191 . 1 1 16 16 GLU C C 13 174.707 0.2 . 1 . . . . . . . . 6731 1 192 . 1 1 17 17 LYS N N 15 124.899 0.15 . 1 . . . . . . . . 6731 1 193 . 1 1 17 17 LYS H H 1 8.915 0.02 . 1 . . . . . . . . 6731 1 194 . 1 1 17 17 LYS CA C 13 55.267 0.2 . 1 . . . . . . . . 6731 1 195 . 1 1 17 17 LYS HA H 1 4.795 0.02 . 1 . . . . . . . . 6731 1 196 . 1 1 17 17 LYS CB C 13 34.417 0.2 . 1 . . . . . . . . 6731 1 197 . 1 1 17 17 LYS HB2 H 1 1.168 0.02 . 2 . . . . . . . . 6731 1 198 . 1 1 17 17 LYS HB3 H 1 1.815 0.02 . 2 . . . . . . . . 6731 1 199 . 1 1 17 17 LYS CG C 13 26.347 0.2 . 1 . . . . . . . . 6731 1 200 . 1 1 17 17 LYS HG2 H 1 1.180 0.02 . 2 . . . . . . . . 6731 1 201 . 1 1 17 17 LYS HG3 H 1 1.767 0.02 . 2 . . . . . . . . 6731 1 202 . 1 1 17 17 LYS CD C 13 30.247 0.2 . 1 . . . . . . . . 6731 1 203 . 1 1 17 17 LYS HD2 H 1 1.691 0.02 . 1 . . . . . . . . 6731 1 204 . 1 1 17 17 LYS HD3 H 1 1.691 0.02 . 1 . . . . . . . . 6731 1 205 . 1 1 17 17 LYS CE C 13 42.227 0.2 . 1 . . . . . . . . 6731 1 206 . 1 1 17 17 LYS HE2 H 1 2.921 0.02 . 2 . . . . . . . . 6731 1 207 . 1 1 17 17 LYS HE3 H 1 3.041 0.02 . 2 . . . . . . . . 6731 1 208 . 1 1 17 17 LYS C C 13 174.157 0.2 . 1 . . . . . . . . 6731 1 209 . 1 1 18 18 VAL N N 15 122.200 0.15 . 1 . . . . . . . . 6731 1 210 . 1 1 18 18 VAL H H 1 8.317 0.02 . 1 . . . . . . . . 6731 1 211 . 1 1 18 18 VAL CA C 13 61.162 0.2 . 1 . . . . . . . . 6731 1 212 . 1 1 18 18 VAL HA H 1 4.573 0.02 . 1 . . . . . . . . 6731 1 213 . 1 1 18 18 VAL CB C 13 33.150 0.2 . 1 . . . . . . . . 6731 1 214 . 1 1 18 18 VAL HB H 1 1.839 0.02 . 1 . . . . . . . . 6731 1 215 . 1 1 18 18 VAL HG11 H 1 0.875 0.02 . 2 . . . . . . . . 6731 1 216 . 1 1 18 18 VAL HG12 H 1 0.875 0.02 . 2 . . . . . . . . 6731 1 217 . 1 1 18 18 VAL HG13 H 1 0.875 0.02 . 2 . . . . . . . . 6731 1 218 . 1 1 18 18 VAL HG21 H 1 0.933 0.02 . 2 . . . . . . . . 6731 1 219 . 1 1 18 18 VAL HG22 H 1 0.933 0.02 . 2 . . . . . . . . 6731 1 220 . 1 1 18 18 VAL HG23 H 1 0.933 0.02 . 2 . . . . . . . . 6731 1 221 . 1 1 18 18 VAL CG1 C 13 20.471 0.2 . 2 . . . . . . . . 6731 1 222 . 1 1 18 18 VAL CG2 C 13 20.896 0.2 . 2 . . . . . . . . 6731 1 223 . 1 1 18 18 VAL C C 13 175.897 0.2 . 1 . . . . . . . . 6731 1 224 . 1 1 19 19 TYR N N 15 126.538 0.15 . 1 . . . . . . . . 6731 1 225 . 1 1 19 19 TYR H H 1 8.942 0.02 . 1 . . . . . . . . 6731 1 226 . 1 1 19 19 TYR CA C 13 58.877 0.2 . 1 . . . . . . . . 6731 1 227 . 1 1 19 19 TYR HA H 1 4.700 0.02 . 1 . . . . . . . . 6731 1 228 . 1 1 19 19 TYR CB C 13 40.917 0.2 . 1 . . . . . . . . 6731 1 229 . 1 1 19 19 TYR HB2 H 1 3.161 0.02 . 2 . . . . . . . . 6731 1 230 . 1 1 19 19 TYR HB3 H 1 3.304 0.02 . 2 . . . . . . . . 6731 1 231 . 1 1 19 19 TYR CD1 C 13 133.861 0.2 . 1 . . . . . . . . 6731 1 232 . 1 1 19 19 TYR HD1 H 1 6.918 0.02 . 1 . . . . . . . . 6731 1 233 . 1 1 19 19 TYR CE1 C 13 117.734 0.2 . 1 . . . . . . . . 6731 1 234 . 1 1 19 19 TYR HE1 H 1 6.683 0.02 . 1 . . . . . . . . 6731 1 235 . 1 1 19 19 TYR CE2 C 13 117.734 0.2 . 1 . . . . . . . . 6731 1 236 . 1 1 19 19 TYR HE2 H 1 6.683 0.02 . 1 . . . . . . . . 6731 1 237 . 1 1 19 19 TYR CD2 C 13 133.861 0.2 . 1 . . . . . . . . 6731 1 238 . 1 1 19 19 TYR HD2 H 1 6.918 0.02 . 1 . . . . . . . . 6731 1 239 . 1 1 19 19 TYR C C 13 178.367 0.2 . 1 . . . . . . . . 6731 1 240 . 1 1 20 20 LEU N N 15 120.487 0.15 . 1 . . . . . . . . 6731 1 241 . 1 1 20 20 LEU H H 1 8.498 0.02 . 1 . . . . . . . . 6731 1 242 . 1 1 20 20 LEU CA C 13 57.522 0.2 . 1 . . . . . . . . 6731 1 243 . 1 1 20 20 LEU HA H 1 3.987 0.02 . 1 . . . . . . . . 6731 1 244 . 1 1 20 20 LEU CB C 13 43.587 0.2 . 1 . . . . . . . . 6731 1 245 . 1 1 20 20 LEU HB2 H 1 1.017 0.02 . 2 . . . . . . . . 6731 1 246 . 1 1 20 20 LEU HB3 H 1 1.379 0.02 . 2 . . . . . . . . 6731 1 247 . 1 1 20 20 LEU CG C 13 26.958 0.2 . 1 . . . . . . . . 6731 1 248 . 1 1 20 20 LEU HG H 1 1.793 0.02 . 1 . . . . . . . . 6731 1 249 . 1 1 20 20 LEU HD11 H 1 0.990 0.02 . 2 . . . . . . . . 6731 1 250 . 1 1 20 20 LEU HD12 H 1 0.990 0.02 . 2 . . . . . . . . 6731 1 251 . 1 1 20 20 LEU HD13 H 1 0.990 0.02 . 2 . . . . . . . . 6731 1 252 . 1 1 20 20 LEU HD21 H 1 0.774 0.02 . 2 . . . . . . . . 6731 1 253 . 1 1 20 20 LEU HD22 H 1 0.774 0.02 . 2 . . . . . . . . 6731 1 254 . 1 1 20 20 LEU HD23 H 1 0.774 0.02 . 2 . . . . . . . . 6731 1 255 . 1 1 20 20 LEU CD1 C 13 22.626 0.2 . 2 . . . . . . . . 6731 1 256 . 1 1 20 20 LEU CD2 C 13 25.875 0.2 . 2 . . . . . . . . 6731 1 257 . 1 1 20 20 LEU C C 13 176.517 0.2 . 1 . . . . . . . . 6731 1 258 . 1 1 21 21 ASP N N 15 110.119 0.15 . 1 . . . . . . . . 6731 1 259 . 1 1 21 21 ASP H H 1 7.760 0.02 . 1 . . . . . . . . 6731 1 260 . 1 1 21 21 ASP CA C 13 53.190 0.2 . 1 . . . . . . . . 6731 1 261 . 1 1 21 21 ASP HA H 1 3.975 0.02 . 1 . . . . . . . . 6731 1 262 . 1 1 21 21 ASP CB C 13 40.966 0.2 . 1 . . . . . . . . 6731 1 263 . 1 1 21 21 ASP HB2 H 1 1.942 0.02 . 2 . . . . . . . . 6731 1 264 . 1 1 21 21 ASP HB3 H 1 2.861 0.02 . 2 . . . . . . . . 6731 1 265 . 1 1 21 21 ASP C C 13 175.197 0.2 . 1 . . . . . . . . 6731 1 266 . 1 1 22 22 GLY N N 15 105.921 0.15 . 1 . . . . . . . . 6731 1 267 . 1 1 22 22 GLY H H 1 7.817 0.02 . 1 . . . . . . . . 6731 1 268 . 1 1 22 22 GLY CA C 13 44.643 0.2 . 1 . . . . . . . . 6731 1 269 . 1 1 22 22 GLY HA2 H 1 3.501 0.02 . 2 . . . . . . . . 6731 1 270 . 1 1 22 22 GLY HA3 H 1 4.158 0.02 . 2 . . . . . . . . 6731 1 271 . 1 1 22 22 GLY C C 13 174.197 0.2 . 1 . . . . . . . . 6731 1 272 . 1 1 23 23 ASP N N 15 122.553 0.15 . 1 . . . . . . . . 6731 1 273 . 1 1 23 23 ASP H H 1 8.095 0.02 . 1 . . . . . . . . 6731 1 274 . 1 1 23 23 ASP CA C 13 54.526 0.2 . 1 . . . . . . . . 6731 1 275 . 1 1 23 23 ASP HA H 1 4.566 0.02 . 1 . . . . . . . . 6731 1 276 . 1 1 23 23 ASP CB C 13 42.037 0.2 . 1 . . . . . . . . 6731 1 277 . 1 1 23 23 ASP HB2 H 1 2.696 0.02 . 2 . . . . . . . . 6731 1 278 . 1 1 23 23 ASP HB3 H 1 2.702 0.02 . 2 . . . . . . . . 6731 1 279 . 1 1 23 23 ASP C C 13 174.607 0.2 . 1 . . . . . . . . 6731 1 280 . 1 1 24 24 VAL N N 15 119.670 0.15 . 1 . . . . . . . . 6731 1 281 . 1 1 24 24 VAL H H 1 8.059 0.02 . 1 . . . . . . . . 6731 1 282 . 1 1 24 24 VAL CA C 13 60.299 0.2 . 1 . . . . . . . . 6731 1 283 . 1 1 24 24 VAL HA H 1 5.438 0.02 . 1 . . . . . . . . 6731 1 284 . 1 1 24 24 VAL CB C 13 35.643 0.2 . 1 . . . . . . . . 6731 1 285 . 1 1 24 24 VAL HB H 1 1.963 0.02 . 1 . . . . . . . . 6731 1 286 . 1 1 24 24 VAL HG11 H 1 0.852 0.02 . 2 . . . . . . . . 6731 1 287 . 1 1 24 24 VAL HG12 H 1 0.852 0.02 . 2 . . . . . . . . 6731 1 288 . 1 1 24 24 VAL HG13 H 1 0.852 0.02 . 2 . . . . . . . . 6731 1 289 . 1 1 24 24 VAL HG21 H 1 0.994 0.02 . 2 . . . . . . . . 6731 1 290 . 1 1 24 24 VAL HG22 H 1 0.994 0.02 . 2 . . . . . . . . 6731 1 291 . 1 1 24 24 VAL HG23 H 1 0.994 0.02 . 2 . . . . . . . . 6731 1 292 . 1 1 24 24 VAL CG1 C 13 21.035 0.2 . 2 . . . . . . . . 6731 1 293 . 1 1 24 24 VAL CG2 C 13 21.418 0.2 . 2 . . . . . . . . 6731 1 294 . 1 1 24 24 VAL C C 13 176.817 0.2 . 1 . . . . . . . . 6731 1 295 . 1 1 25 25 SER N N 15 122.718 0.15 . 1 . . . . . . . . 6731 1 296 . 1 1 25 25 SER H H 1 9.335 0.02 . 1 . . . . . . . . 6731 1 297 . 1 1 25 25 SER CA C 13 56.774 0.2 . 1 . . . . . . . . 6731 1 298 . 1 1 25 25 SER HA H 1 5.001 0.02 . 1 . . . . . . . . 6731 1 299 . 1 1 25 25 SER CB C 13 65.379 0.2 . 1 . . . . . . . . 6731 1 300 . 1 1 25 25 SER HB2 H 1 4.014 0.02 . 2 . . . . . . . . 6731 1 301 . 1 1 25 25 SER HB3 H 1 4.071 0.02 . 2 . . . . . . . . 6731 1 302 . 1 1 25 25 SER C C 13 173.457 0.2 . 1 . . . . . . . . 6731 1 303 . 1 1 26 26 ILE N N 15 126.034 0.15 . 1 . . . . . . . . 6731 1 304 . 1 1 26 26 ILE H H 1 8.765 0.02 . 1 . . . . . . . . 6731 1 305 . 1 1 26 26 ILE CA C 13 60.770 0.2 . 1 . . . . . . . . 6731 1 306 . 1 1 26 26 ILE HA H 1 5.112 0.02 . 1 . . . . . . . . 6731 1 307 . 1 1 26 26 ILE CB C 13 40.459 0.2 . 1 . . . . . . . . 6731 1 308 . 1 1 26 26 ILE HB H 1 1.716 0.02 . 1 . . . . . . . . 6731 1 309 . 1 1 26 26 ILE HG21 H 1 0.638 0.02 . 1 . . . . . . . . 6731 1 310 . 1 1 26 26 ILE HG22 H 1 0.638 0.02 . 1 . . . . . . . . 6731 1 311 . 1 1 26 26 ILE HG23 H 1 0.638 0.02 . 1 . . . . . . . . 6731 1 312 . 1 1 26 26 ILE CG2 C 13 18.128 0.2 . 1 . . . . . . . . 6731 1 313 . 1 1 26 26 ILE CG1 C 13 28.438 0.2 . 1 . . . . . . . . 6731 1 314 . 1 1 26 26 ILE HG12 H 1 0.972 0.02 . 2 . . . . . . . . 6731 1 315 . 1 1 26 26 ILE HG13 H 1 1.568 0.02 . 2 . . . . . . . . 6731 1 316 . 1 1 26 26 ILE HD11 H 1 0.886 0.02 . 1 . . . . . . . . 6731 1 317 . 1 1 26 26 ILE HD12 H 1 0.886 0.02 . 1 . . . . . . . . 6731 1 318 . 1 1 26 26 ILE HD13 H 1 0.886 0.02 . 1 . . . . . . . . 6731 1 319 . 1 1 26 26 ILE CD1 C 13 13.810 0.2 . 1 . . . . . . . . 6731 1 320 . 1 1 26 26 ILE C C 13 175.657 0.2 . 1 . . . . . . . . 6731 1 321 . 1 1 27 27 GLU N N 15 128.398 0.15 . 1 . . . . . . . . 6731 1 322 . 1 1 27 27 GLU H H 1 9.025 0.02 . 1 . . . . . . . . 6731 1 323 . 1 1 27 27 GLU CA C 13 54.563 0.2 . 1 . . . . . . . . 6731 1 324 . 1 1 27 27 GLU HA H 1 4.758 0.02 . 1 . . . . . . . . 6731 1 325 . 1 1 27 27 GLU CB C 13 34.007 0.2 . 1 . . . . . . . . 6731 1 326 . 1 1 27 27 GLU HB2 H 1 1.919 0.02 . 2 . . . . . . . . 6731 1 327 . 1 1 27 27 GLU HB3 H 1 1.989 0.02 . 2 . . . . . . . . 6731 1 328 . 1 1 27 27 GLU CG C 13 36.467 0.2 . 1 . . . . . . . . 6731 1 329 . 1 1 27 27 GLU HG2 H 1 2.115 0.02 . 2 . . . . . . . . 6731 1 330 . 1 1 27 27 GLU HG3 H 1 2.279 0.02 . 2 . . . . . . . . 6731 1 331 . 1 1 27 27 GLU C C 13 173.747 0.2 . 1 . . . . . . . . 6731 1 332 . 1 1 28 28 HIS N N 15 121.598 0.15 . 1 . . . . . . . . 6731 1 333 . 1 1 28 28 HIS H H 1 8.767 0.02 . 1 . . . . . . . . 6731 1 334 . 1 1 28 28 HIS CA C 13 55.231 0.2 . 1 . . . . . . . . 6731 1 335 . 1 1 28 28 HIS HA H 1 5.438 0.02 . 1 . . . . . . . . 6731 1 336 . 1 1 28 28 HIS CB C 13 33.425 0.2 . 1 . . . . . . . . 6731 1 337 . 1 1 28 28 HIS HB2 H 1 2.795 0.02 . 2 . . . . . . . . 6731 1 338 . 1 1 28 28 HIS HB3 H 1 2.986 0.02 . 2 . . . . . . . . 6731 1 339 . 1 1 28 28 HIS CD2 C 13 118.262 0.2 . 1 . . . . . . . . 6731 1 340 . 1 1 28 28 HIS CE1 C 13 137.607 0.2 . 1 . . . . . . . . 6731 1 341 . 1 1 28 28 HIS HD2 H 1 7.062 0.02 . 1 . . . . . . . . 6731 1 342 . 1 1 28 28 HIS HE1 H 1 7.883 0.02 . 1 . . . . . . . . 6731 1 343 . 1 1 28 28 HIS C C 13 175.397 0.2 . 1 . . . . . . . . 6731 1 344 . 1 1 29 29 LYS N N 15 122.783 0.15 . 1 . . . . . . . . 6731 1 345 . 1 1 29 29 LYS H H 1 9.488 0.02 . 1 . . . . . . . . 6731 1 346 . 1 1 29 29 LYS CA C 13 54.674 0.2 . 1 . . . . . . . . 6731 1 347 . 1 1 29 29 LYS HA H 1 4.663 0.02 . 1 . . . . . . . . 6731 1 348 . 1 1 29 29 LYS CB C 13 36.067 0.2 . 1 . . . . . . . . 6731 1 349 . 1 1 29 29 LYS HB2 H 1 1.555 0.02 . 2 . . . . . . . . 6731 1 350 . 1 1 29 29 LYS HB3 H 1 1.819 0.02 . 2 . . . . . . . . 6731 1 351 . 1 1 29 29 LYS CG C 13 24.803 0.2 . 1 . . . . . . . . 6731 1 352 . 1 1 29 29 LYS HG2 H 1 1.262 0.02 . 1 . . . . . . . . 6731 1 353 . 1 1 29 29 LYS HG3 H 1 1.262 0.02 . 1 . . . . . . . . 6731 1 354 . 1 1 29 29 LYS CD C 13 29.072 0.2 . 1 . . . . . . . . 6731 1 355 . 1 1 29 29 LYS HD2 H 1 1.617 0.02 . 1 . . . . . . . . 6731 1 356 . 1 1 29 29 LYS HD3 H 1 1.617 0.02 . 1 . . . . . . . . 6731 1 357 . 1 1 29 29 LYS CE C 13 42.070 0.2 . 1 . . . . . . . . 6731 1 358 . 1 1 29 29 LYS HE2 H 1 2.817 0.02 . 2 . . . . . . . . 6731 1 359 . 1 1 29 29 LYS HE3 H 1 2.883 0.02 . 2 . . . . . . . . 6731 1 360 . 1 1 29 29 LYS C C 13 174.217 0.2 . 1 . . . . . . . . 6731 1 361 . 1 1 30 30 HIS N N 15 122.929 0.15 . 1 . . . . . . . . 6731 1 362 . 1 1 30 30 HIS H H 1 8.754 0.02 . 1 . . . . . . . . 6731 1 363 . 1 1 30 30 HIS CA C 13 55.657 0.2 . 1 . . . . . . . . 6731 1 364 . 1 1 30 30 HIS HA H 1 5.195 0.02 . 1 . . . . . . . . 6731 1 365 . 1 1 30 30 HIS CB C 13 30.903 0.2 . 1 . . . . . . . . 6731 1 366 . 1 1 30 30 HIS HB2 H 1 2.874 0.02 . 2 . . . . . . . . 6731 1 367 . 1 1 30 30 HIS HB3 H 1 2.949 0.02 . 2 . . . . . . . . 6731 1 368 . 1 1 30 30 HIS C C 13 175.107 0.2 . 1 . . . . . . . . 6731 1 369 . 1 1 31 31 GLU N N 15 123.915 0.15 . 1 . . . . . . . . 6731 1 370 . 1 1 31 31 GLU H H 1 8.882 0.02 . 1 . . . . . . . . 6731 1 371 . 1 1 31 31 GLU CA C 13 55.085 0.2 . 1 . . . . . . . . 6731 1 372 . 1 1 31 31 GLU HA H 1 4.675 0.02 . 1 . . . . . . . . 6731 1 373 . 1 1 31 31 GLU CB C 13 32.955 0.2 . 1 . . . . . . . . 6731 1 374 . 1 1 31 31 GLU HB2 H 1 1.687 0.02 . 2 . . . . . . . . 6731 1 375 . 1 1 31 31 GLU HB3 H 1 1.997 0.02 . 2 . . . . . . . . 6731 1 376 . 1 1 31 31 GLU CG C 13 35.706 0.2 . 1 . . . . . . . . 6731 1 377 . 1 1 31 31 GLU HG2 H 1 2.102 0.02 . 2 . . . . . . . . 6731 1 378 . 1 1 31 31 GLU HG3 H 1 2.237 0.02 . 2 . . . . . . . . 6731 1 379 . 1 1 31 31 GLU C C 13 175.127 0.2 . 1 . . . . . . . . 6731 1 380 . 1 1 32 32 LYS N N 15 123.836 0.15 . 1 . . . . . . . . 6731 1 381 . 1 1 32 32 LYS H H 1 8.583 0.02 . 1 . . . . . . . . 6731 1 382 . 1 1 32 32 LYS CA C 13 55.310 0.2 . 1 . . . . . . . . 6731 1 383 . 1 1 32 32 LYS HA H 1 4.675 0.02 . 1 . . . . . . . . 6731 1 384 . 1 1 32 32 LYS CB C 13 32.945 0.2 . 1 . . . . . . . . 6731 1 385 . 1 1 32 32 LYS HB2 H 1 1.368 0.02 . 2 . . . . . . . . 6731 1 386 . 1 1 32 32 LYS HB3 H 1 1.655 0.02 . 2 . . . . . . . . 6731 1 387 . 1 1 32 32 LYS CG C 13 25.227 0.2 . 1 . . . . . . . . 6731 1 388 . 1 1 32 32 LYS HG2 H 1 1.040 0.02 . 2 . . . . . . . . 6731 1 389 . 1 1 32 32 LYS HG3 H 1 1.264 0.02 . 2 . . . . . . . . 6731 1 390 . 1 1 32 32 LYS CD C 13 29.437 0.2 . 1 . . . . . . . . 6731 1 391 . 1 1 32 32 LYS HD2 H 1 1.573 0.02 . 2 . . . . . . . . 6731 1 392 . 1 1 32 32 LYS HD3 H 1 1.582 0.02 . 2 . . . . . . . . 6731 1 393 . 1 1 32 32 LYS CE C 13 42.197 0.2 . 1 . . . . . . . . 6731 1 394 . 1 1 32 32 LYS HE2 H 1 2.859 0.02 . 2 . . . . . . . . 6731 1 395 . 1 1 32 32 LYS C C 13 175.677 0.2 . 1 . . . . . . . . 6731 1 396 . 1 1 33 33 VAL N N 15 124.309 0.15 . 1 . . . . . . . . 6731 1 397 . 1 1 33 33 VAL H H 1 8.781 0.02 . 1 . . . . . . . . 6731 1 398 . 1 1 33 33 VAL CA C 13 61.816 0.2 . 1 . . . . . . . . 6731 1 399 . 1 1 33 33 VAL HA H 1 4.080 0.02 . 1 . . . . . . . . 6731 1 400 . 1 1 33 33 VAL CB C 13 34.277 0.2 . 1 . . . . . . . . 6731 1 401 . 1 1 33 33 VAL HB H 1 1.726 0.02 . 1 . . . . . . . . 6731 1 402 . 1 1 33 33 VAL HG11 H 1 0.458 0.02 . 2 . . . . . . . . 6731 1 403 . 1 1 33 33 VAL HG12 H 1 0.458 0.02 . 2 . . . . . . . . 6731 1 404 . 1 1 33 33 VAL HG13 H 1 0.458 0.02 . 2 . . . . . . . . 6731 1 405 . 1 1 33 33 VAL HG21 H 1 0.666 0.02 . 2 . . . . . . . . 6731 1 406 . 1 1 33 33 VAL HG22 H 1 0.666 0.02 . 2 . . . . . . . . 6731 1 407 . 1 1 33 33 VAL HG23 H 1 0.666 0.02 . 2 . . . . . . . . 6731 1 408 . 1 1 33 33 VAL CG1 C 13 21.173 0.2 . 2 . . . . . . . . 6731 1 409 . 1 1 33 33 VAL CG2 C 13 21.714 0.2 . 2 . . . . . . . . 6731 1 410 . 1 1 33 33 VAL C C 13 174.887 0.2 . 1 . . . . . . . . 6731 1 411 . 1 1 34 34 PHE N N 15 125.679 0.15 . 1 . . . . . . . . 6731 1 412 . 1 1 34 34 PHE H H 1 9.030 0.02 . 1 . . . . . . . . 6731 1 413 . 1 1 34 34 PHE CA C 13 59.433 0.2 . 1 . . . . . . . . 6731 1 414 . 1 1 34 34 PHE HA H 1 4.471 0.02 . 1 . . . . . . . . 6731 1 415 . 1 1 34 34 PHE CB C 13 39.767 0.2 . 1 . . . . . . . . 6731 1 416 . 1 1 34 34 PHE HB2 H 1 2.853 0.02 . 2 . . . . . . . . 6731 1 417 . 1 1 34 34 PHE HB3 H 1 3.104 0.02 . 2 . . . . . . . . 6731 1 418 . 1 1 34 34 PHE CD1 C 13 131.677 0.2 . 1 . . . . . . . . 6731 1 419 . 1 1 34 34 PHE HD1 H 1 7.231 0.02 . 1 . . . . . . . . 6731 1 420 . 1 1 34 34 PHE CE1 C 13 132.497 0.2 . 1 . . . . . . . . 6731 1 421 . 1 1 34 34 PHE HE1 H 1 7.160 0.02 . 1 . . . . . . . . 6731 1 422 . 1 1 34 34 PHE CE2 C 13 132.497 0.2 . 1 . . . . . . . . 6731 1 423 . 1 1 34 34 PHE HE2 H 1 7.160 0.02 . 1 . . . . . . . . 6731 1 424 . 1 1 34 34 PHE CD2 C 13 131.677 0.2 . 1 . . . . . . . . 6731 1 425 . 1 1 34 34 PHE HD2 H 1 7.231 0.02 . 1 . . . . . . . . 6731 1 426 . 1 1 34 34 PHE C C 13 175.747 0.2 . 1 . . . . . . . . 6731 1 427 . 1 1 35 35 SER N N 15 113.114 0.15 . 1 . . . . . . . . 6731 1 428 . 1 1 35 35 SER H H 1 7.808 0.02 . 1 . . . . . . . . 6731 1 429 . 1 1 35 35 SER CA C 13 55.817 0.2 . 1 . . . . . . . . 6731 1 430 . 1 1 35 35 SER HA H 1 4.630 0.02 . 1 . . . . . . . . 6731 1 431 . 1 1 35 35 SER CB C 13 64.171 0.2 . 1 . . . . . . . . 6731 1 432 . 1 1 35 35 SER HB2 H 1 3.768 0.02 . 2 . . . . . . . . 6731 1 433 . 1 1 35 35 SER HB3 H 1 3.928 0.02 . 2 . . . . . . . . 6731 1 434 . 1 1 35 35 SER C C 13 175.567 0.2 . 1 . . . . . . . . 6731 1 435 . 1 1 36 36 MET CA C 13 56.111 0.2 . 1 . . . . . . . . 6731 1 436 . 1 1 36 36 MET HA H 1 4.295 0.02 . 1 . . . . . . . . 6731 1 437 . 1 1 36 36 MET CB C 13 29.760 0.2 . 1 . . . . . . . . 6731 1 438 . 1 1 36 36 MET HB2 H 1 2.050 0.02 . 2 . . . . . . . . 6731 1 439 . 1 1 36 36 MET HB3 H 1 2.054 0.02 . 2 . . . . . . . . 6731 1 440 . 1 1 36 36 MET CG C 13 32.155 0.2 . 1 . . . . . . . . 6731 1 441 . 1 1 36 36 MET HG2 H 1 2.370 0.02 . 2 . . . . . . . . 6731 1 442 . 1 1 36 36 MET HG3 H 1 2.648 0.02 . 2 . . . . . . . . 6731 1 443 . 1 1 36 36 MET HE1 H 1 1.366 0.02 . 1 . . . . . . . . 6731 1 444 . 1 1 36 36 MET HE2 H 1 1.366 0.02 . 1 . . . . . . . . 6731 1 445 . 1 1 36 36 MET HE3 H 1 1.366 0.02 . 1 . . . . . . . . 6731 1 446 . 1 1 36 36 MET CE C 13 15.676 0.2 . 1 . . . . . . . . 6731 1 447 . 1 1 36 36 MET C C 13 177.407 0.2 . 1 . . . . . . . . 6731 1 448 . 1 1 37 37 ASP N N 15 117.965 0.15 . 1 . . . . . . . . 6731 1 449 . 1 1 37 37 ASP H H 1 8.170 0.02 . 1 . . . . . . . . 6731 1 450 . 1 1 37 37 ASP CA C 13 57.873 0.2 . 1 . . . . . . . . 6731 1 451 . 1 1 37 37 ASP HA H 1 4.611 0.02 . 1 . . . . . . . . 6731 1 452 . 1 1 37 37 ASP CB C 13 40.257 0.2 . 1 . . . . . . . . 6731 1 453 . 1 1 37 37 ASP HB2 H 1 2.483 0.02 . 2 . . . . . . . . 6731 1 454 . 1 1 37 37 ASP HB3 H 1 2.732 0.02 . 2 . . . . . . . . 6731 1 455 . 1 1 37 37 ASP C C 13 179.197 0.2 . 1 . . . . . . . . 6731 1 456 . 1 1 38 38 ASP N N 15 119.862 0.15 . 1 . . . . . . . . 6731 1 457 . 1 1 38 38 ASP H H 1 7.514 0.02 . 1 . . . . . . . . 6731 1 458 . 1 1 38 38 ASP CA C 13 56.805 0.2 . 1 . . . . . . . . 6731 1 459 . 1 1 38 38 ASP HA H 1 4.431 0.02 . 1 . . . . . . . . 6731 1 460 . 1 1 38 38 ASP CB C 13 40.291 0.2 . 1 . . . . . . . . 6731 1 461 . 1 1 38 38 ASP HB2 H 1 2.772 0.02 . 2 . . . . . . . . 6731 1 462 . 1 1 38 38 ASP HB3 H 1 2.805 0.02 . 2 . . . . . . . . 6731 1 463 . 1 1 38 38 ASP C C 13 178.297 0.2 . 1 . . . . . . . . 6731 1 464 . 1 1 39 39 PHE N N 15 123.513 0.15 . 1 . . . . . . . . 6731 1 465 . 1 1 39 39 PHE H H 1 7.592 0.02 . 1 . . . . . . . . 6731 1 466 . 1 1 39 39 PHE CA C 13 61.343 0.2 . 1 . . . . . . . . 6731 1 467 . 1 1 39 39 PHE HA H 1 4.221 0.02 . 1 . . . . . . . . 6731 1 468 . 1 1 39 39 PHE CB C 13 39.187 0.2 . 1 . . . . . . . . 6731 1 469 . 1 1 39 39 PHE HB2 H 1 3.009 0.02 . 2 . . . . . . . . 6731 1 470 . 1 1 39 39 PHE HB3 H 1 3.060 0.02 . 2 . . . . . . . . 6731 1 471 . 1 1 39 39 PHE CD1 C 13 131.800 0.2 . 1 . . . . . . . . 6731 1 472 . 1 1 39 39 PHE HD1 H 1 6.334 0.02 . 1 . . . . . . . . 6731 1 473 . 1 1 39 39 PHE CE1 C 13 130.288 0.2 . 1 . . . . . . . . 6731 1 474 . 1 1 39 39 PHE HE1 H 1 6.449 0.02 . 1 . . . . . . . . 6731 1 475 . 1 1 39 39 PHE CE2 C 13 130.288 0.2 . 1 . . . . . . . . 6731 1 476 . 1 1 39 39 PHE HE2 H 1 6.449 0.02 . 1 . . . . . . . . 6731 1 477 . 1 1 39 39 PHE CD2 C 13 131.800 0.2 . 1 . . . . . . . . 6731 1 478 . 1 1 39 39 PHE HD2 H 1 6.334 0.02 . 1 . . . . . . . . 6731 1 479 . 1 1 39 39 PHE C C 13 176.447 0.2 . 1 . . . . . . . . 6731 1 480 . 1 1 40 40 TRP N N 15 116.867 0.15 . 1 . . . . . . . . 6731 1 481 . 1 1 40 40 TRP H H 1 8.298 0.02 . 1 . . . . . . . . 6731 1 482 . 1 1 40 40 TRP CA C 13 59.217 0.2 . 1 . . . . . . . . 6731 1 483 . 1 1 40 40 TRP HA H 1 4.562 0.02 . 1 . . . . . . . . 6731 1 484 . 1 1 40 40 TRP CB C 13 29.755 0.2 . 1 . . . . . . . . 6731 1 485 . 1 1 40 40 TRP HB2 H 1 3.213 0.02 . 2 . . . . . . . . 6731 1 486 . 1 1 40 40 TRP HB3 H 1 3.462 0.02 . 2 . . . . . . . . 6731 1 487 . 1 1 40 40 TRP CD1 C 13 130.127 0.2 . 1 . . . . . . . . 6731 1 488 . 1 1 40 40 TRP CE3 C 13 129.297 0.2 . 1 . . . . . . . . 6731 1 489 . 1 1 40 40 TRP NE1 N 15 128.891 0.15 . 1 . . . . . . . . 6731 1 490 . 1 1 40 40 TRP HD1 H 1 7.383 0.02 . 1 . . . . . . . . 6731 1 491 . 1 1 40 40 TRP HE3 H 1 7.152 0.02 . 1 . . . . . . . . 6731 1 492 . 1 1 40 40 TRP CZ2 C 13 114.933 0.2 . 1 . . . . . . . . 6731 1 493 . 1 1 40 40 TRP HE1 H 1 10.214 0.02 . 1 . . . . . . . . 6731 1 494 . 1 1 40 40 TRP CH2 C 13 123.879 0.2 . 1 . . . . . . . . 6731 1 495 . 1 1 40 40 TRP HZ2 H 1 7.427 0.02 . 1 . . . . . . . . 6731 1 496 . 1 1 40 40 TRP HH2 H 1 6.902 0.02 . 1 . . . . . . . . 6731 1 497 . 1 1 40 40 TRP C C 13 180.597 0.2 . 1 . . . . . . . . 6731 1 498 . 1 1 41 41 ALA N N 15 119.444 0.15 . 1 . . . . . . . . 6731 1 499 . 1 1 41 41 ALA H H 1 7.712 0.02 . 1 . . . . . . . . 6731 1 500 . 1 1 41 41 ALA CA C 13 54.794 0.2 . 1 . . . . . . . . 6731 1 501 . 1 1 41 41 ALA HA H 1 4.175 0.02 . 1 . . . . . . . . 6731 1 502 . 1 1 41 41 ALA HB1 H 1 1.502 0.02 . 1 . . . . . . . . 6731 1 503 . 1 1 41 41 ALA HB2 H 1 1.502 0.02 . 1 . . . . . . . . 6731 1 504 . 1 1 41 41 ALA HB3 H 1 1.502 0.02 . 1 . . . . . . . . 6731 1 505 . 1 1 41 41 ALA CB C 13 18.206 0.2 . 1 . . . . . . . . 6731 1 506 . 1 1 41 41 ALA C C 13 180.087 0.2 . 1 . . . . . . . . 6731 1 507 . 1 1 42 42 ALA N N 15 120.941 0.15 . 1 . . . . . . . . 6731 1 508 . 1 1 42 42 ALA H H 1 7.629 0.02 . 1 . . . . . . . . 6731 1 509 . 1 1 42 42 ALA CA C 13 53.983 0.2 . 1 . . . . . . . . 6731 1 510 . 1 1 42 42 ALA HA H 1 3.915 0.02 . 1 . . . . . . . . 6731 1 511 . 1 1 42 42 ALA HB1 H 1 1.088 0.02 . 1 . . . . . . . . 6731 1 512 . 1 1 42 42 ALA HB2 H 1 1.088 0.02 . 1 . . . . . . . . 6731 1 513 . 1 1 42 42 ALA HB3 H 1 1.088 0.02 . 1 . . . . . . . . 6731 1 514 . 1 1 42 42 ALA CB C 13 17.735 0.2 . 1 . . . . . . . . 6731 1 515 . 1 1 42 42 ALA C C 13 178.597 0.2 . 1 . . . . . . . . 6731 1 516 . 1 1 43 43 TYR N N 15 115.592 0.15 . 1 . . . . . . . . 6731 1 517 . 1 1 43 43 TYR H H 1 7.050 0.02 . 1 . . . . . . . . 6731 1 518 . 1 1 43 43 TYR CA C 13 58.307 0.2 . 1 . . . . . . . . 6731 1 519 . 1 1 43 43 TYR HA H 1 4.088 0.02 . 1 . . . . . . . . 6731 1 520 . 1 1 43 43 TYR CB C 13 37.859 0.2 . 1 . . . . . . . . 6731 1 521 . 1 1 43 43 TYR HB2 H 1 1.606 0.02 . 2 . . . . . . . . 6731 1 522 . 1 1 43 43 TYR HB3 H 1 2.068 0.02 . 2 . . . . . . . . 6731 1 523 . 1 1 43 43 TYR CD1 C 13 132.617 0.2 . 1 . . . . . . . . 6731 1 524 . 1 1 43 43 TYR HD1 H 1 5.679 0.02 . 1 . . . . . . . . 6731 1 525 . 1 1 43 43 TYR CE1 C 13 117.137 0.2 . 1 . . . . . . . . 6731 1 526 . 1 1 43 43 TYR HE1 H 1 5.971 0.02 . 1 . . . . . . . . 6731 1 527 . 1 1 43 43 TYR CE2 C 13 117.137 0.2 . 1 . . . . . . . . 6731 1 528 . 1 1 43 43 TYR HE2 H 1 5.971 0.02 . 1 . . . . . . . . 6731 1 529 . 1 1 43 43 TYR CD2 C 13 132.617 0.2 . 1 . . . . . . . . 6731 1 530 . 1 1 43 43 TYR HD2 H 1 5.679 0.02 . 1 . . . . . . . . 6731 1 531 . 1 1 43 43 TYR C C 13 174.677 0.2 . 1 . . . . . . . . 6731 1 532 . 1 1 44 44 ALA N N 15 123.503 0.15 . 1 . . . . . . . . 6731 1 533 . 1 1 44 44 ALA H H 1 6.977 0.02 . 1 . . . . . . . . 6731 1 534 . 1 1 44 44 ALA CA C 13 54.335 0.2 . 1 . . . . . . . . 6731 1 535 . 1 1 44 44 ALA HA H 1 4.289 0.02 . 1 . . . . . . . . 6731 1 536 . 1 1 44 44 ALA HB1 H 1 1.444 0.02 . 1 . . . . . . . . 6731 1 537 . 1 1 44 44 ALA HB2 H 1 1.444 0.02 . 1 . . . . . . . . 6731 1 538 . 1 1 44 44 ALA HB3 H 1 1.444 0.02 . 1 . . . . . . . . 6731 1 539 . 1 1 44 44 ALA CB C 13 18.438 0.2 . 1 . . . . . . . . 6731 1 540 . 1 1 44 44 ALA C C 13 179.007 0.2 . 1 . . . . . . . . 6731 1 541 . 1 1 45 45 GLY N N 15 110.098 0.15 . 1 . . . . . . . . 6731 1 542 . 1 1 45 45 GLY H H 1 8.915 0.02 . 1 . . . . . . . . 6731 1 543 . 1 1 45 45 GLY CA C 13 45.167 0.2 . 1 . . . . . . . . 6731 1 544 . 1 1 45 45 GLY HA2 H 1 3.697 0.02 . 2 . . . . . . . . 6731 1 545 . 1 1 45 45 GLY HA3 H 1 4.042 0.02 . 2 . . . . . . . . 6731 1 546 . 1 1 45 45 GLY C C 13 174.607 0.2 . 1 . . . . . . . . 6731 1 547 . 1 1 46 46 TRP N N 15 121.658 0.15 . 1 . . . . . . . . 6731 1 548 . 1 1 46 46 TRP H H 1 7.988 0.02 . 1 . . . . . . . . 6731 1 549 . 1 1 46 46 TRP CA C 13 57.192 0.2 . 1 . . . . . . . . 6731 1 550 . 1 1 46 46 TRP HA H 1 4.333 0.02 . 1 . . . . . . . . 6731 1 551 . 1 1 46 46 TRP CB C 13 30.023 0.2 . 1 . . . . . . . . 6731 1 552 . 1 1 46 46 TRP HB2 H 1 2.930 0.02 . 2 . . . . . . . . 6731 1 553 . 1 1 46 46 TRP HB3 H 1 3.185 0.02 . 2 . . . . . . . . 6731 1 554 . 1 1 46 46 TRP CD1 C 13 126.900 0.2 . 1 . . . . . . . . 6731 1 555 . 1 1 46 46 TRP NE1 N 15 129.568 0.15 . 1 . . . . . . . . 6731 1 556 . 1 1 46 46 TRP HD1 H 1 6.774 0.02 . 1 . . . . . . . . 6731 1 557 . 1 1 46 46 TRP CZ2 C 13 114.264 0.2 . 1 . . . . . . . . 6731 1 558 . 1 1 46 46 TRP HE1 H 1 10.102 0.02 . 1 . . . . . . . . 6731 1 559 . 1 1 46 46 TRP CH2 C 13 124.494 0.2 . 1 . . . . . . . . 6731 1 560 . 1 1 46 46 TRP HZ2 H 1 7.381 0.02 . 1 . . . . . . . . 6731 1 561 . 1 1 46 46 TRP HH2 H 1 6.867 0.02 . 1 . . . . . . . . 6731 1 562 . 1 1 46 46 TRP C C 13 175.787 0.2 . 1 . . . . . . . . 6731 1 563 . 1 1 47 47 THR N N 15 119.309 0.15 . 1 . . . . . . . . 6731 1 564 . 1 1 47 47 THR H H 1 9.290 0.02 . 1 . . . . . . . . 6731 1 565 . 1 1 47 47 THR CA C 13 62.972 0.2 . 1 . . . . . . . . 6731 1 566 . 1 1 47 47 THR HA H 1 4.516 0.02 . 1 . . . . . . . . 6731 1 567 . 1 1 47 47 THR CB C 13 69.882 0.2 . 1 . . . . . . . . 6731 1 568 . 1 1 47 47 THR HB H 1 4.324 0.02 . 1 . . . . . . . . 6731 1 569 . 1 1 47 47 THR HG21 H 1 1.169 0.02 . 1 . . . . . . . . 6731 1 570 . 1 1 47 47 THR HG22 H 1 1.169 0.02 . 1 . . . . . . . . 6731 1 571 . 1 1 47 47 THR HG23 H 1 1.169 0.02 . 1 . . . . . . . . 6731 1 572 . 1 1 47 47 THR CG2 C 13 21.361 0.2 . 1 . . . . . . . . 6731 1 573 . 1 1 47 47 THR C C 13 174.017 0.2 . 1 . . . . . . . . 6731 1 574 . 1 1 48 48 LEU N N 15 131.230 0.15 . 1 . . . . . . . . 6731 1 575 . 1 1 48 48 LEU H H 1 9.150 0.02 . 1 . . . . . . . . 6731 1 576 . 1 1 48 48 LEU CA C 13 55.954 0.2 . 1 . . . . . . . . 6731 1 577 . 1 1 48 48 LEU HA H 1 4.389 0.02 . 1 . . . . . . . . 6731 1 578 . 1 1 48 48 LEU CB C 13 41.759 0.2 . 1 . . . . . . . . 6731 1 579 . 1 1 48 48 LEU HB2 H 1 1.518 0.02 . 2 . . . . . . . . 6731 1 580 . 1 1 48 48 LEU HB3 H 1 1.856 0.02 . 2 . . . . . . . . 6731 1 581 . 1 1 48 48 LEU CG C 13 27.445 0.2 . 1 . . . . . . . . 6731 1 582 . 1 1 48 48 LEU HG H 1 1.158 0.02 . 1 . . . . . . . . 6731 1 583 . 1 1 48 48 LEU HD11 H 1 0.571 0.02 . 2 . . . . . . . . 6731 1 584 . 1 1 48 48 LEU HD12 H 1 0.571 0.02 . 2 . . . . . . . . 6731 1 585 . 1 1 48 48 LEU HD13 H 1 0.571 0.02 . 2 . . . . . . . . 6731 1 586 . 1 1 48 48 LEU HD21 H 1 0.632 0.02 . 2 . . . . . . . . 6731 1 587 . 1 1 48 48 LEU HD22 H 1 0.632 0.02 . 2 . . . . . . . . 6731 1 588 . 1 1 48 48 LEU HD23 H 1 0.632 0.02 . 2 . . . . . . . . 6731 1 589 . 1 1 48 48 LEU CD1 C 13 24.531 0.2 . 2 . . . . . . . . 6731 1 590 . 1 1 48 48 LEU CD2 C 13 25.770 0.2 . 2 . . . . . . . . 6731 1 591 . 1 1 48 48 LEU C C 13 175.657 0.2 . 1 . . . . . . . . 6731 1 592 . 1 1 49 49 VAL N N 15 130.171 0.15 . 1 . . . . . . . . 6731 1 593 . 1 1 49 49 VAL H H 1 9.108 0.02 . 1 . . . . . . . . 6731 1 594 . 1 1 49 49 VAL CA C 13 64.237 0.2 . 1 . . . . . . . . 6731 1 595 . 1 1 49 49 VAL HA H 1 3.981 0.02 . 1 . . . . . . . . 6731 1 596 . 1 1 49 49 VAL CB C 13 32.996 0.2 . 1 . . . . . . . . 6731 1 597 . 1 1 49 49 VAL HB H 1 1.727 0.02 . 1 . . . . . . . . 6731 1 598 . 1 1 49 49 VAL HG11 H 1 0.863 0.02 . 2 . . . . . . . . 6731 1 599 . 1 1 49 49 VAL HG12 H 1 0.863 0.02 . 2 . . . . . . . . 6731 1 600 . 1 1 49 49 VAL HG13 H 1 0.863 0.02 . 2 . . . . . . . . 6731 1 601 . 1 1 49 49 VAL HG21 H 1 0.911 0.02 . 2 . . . . . . . . 6731 1 602 . 1 1 49 49 VAL HG22 H 1 0.911 0.02 . 2 . . . . . . . . 6731 1 603 . 1 1 49 49 VAL HG23 H 1 0.911 0.02 . 2 . . . . . . . . 6731 1 604 . 1 1 49 49 VAL CG1 C 13 22.172 0.2 . 2 . . . . . . . . 6731 1 605 . 1 1 49 49 VAL CG2 C 13 21.380 0.2 . 2 . . . . . . . . 6731 1 606 . 1 1 49 49 VAL C C 13 175.997 0.2 . 1 . . . . . . . . 6731 1 607 . 1 1 50 50 GLU N N 15 115.424 0.15 . 1 . . . . . . . . 6731 1 608 . 1 1 50 50 GLU H H 1 7.327 0.02 . 1 . . . . . . . . 6731 1 609 . 1 1 50 50 GLU CA C 13 55.252 0.2 . 1 . . . . . . . . 6731 1 610 . 1 1 50 50 GLU HA H 1 4.573 0.02 . 1 . . . . . . . . 6731 1 611 . 1 1 50 50 GLU CB C 13 33.631 0.2 . 1 . . . . . . . . 6731 1 612 . 1 1 50 50 GLU HB2 H 1 1.916 0.02 . 2 . . . . . . . . 6731 1 613 . 1 1 50 50 GLU HB3 H 1 1.991 0.02 . 2 . . . . . . . . 6731 1 614 . 1 1 50 50 GLU CG C 13 36.051 0.2 . 1 . . . . . . . . 6731 1 615 . 1 1 50 50 GLU HG2 H 1 2.076 0.02 . 2 . . . . . . . . 6731 1 616 . 1 1 50 50 GLU HG3 H 1 2.080 0.02 . 2 . . . . . . . . 6731 1 617 . 1 1 50 50 GLU C C 13 172.797 0.2 . 1 . . . . . . . . 6731 1 618 . 1 1 51 51 GLN N N 15 120.062 0.15 . 1 . . . . . . . . 6731 1 619 . 1 1 51 51 GLN H H 1 8.569 0.02 . 1 . . . . . . . . 6731 1 620 . 1 1 51 51 GLN CA C 13 54.837 0.2 . 1 . . . . . . . . 6731 1 621 . 1 1 51 51 GLN HA H 1 5.042 0.02 . 1 . . . . . . . . 6731 1 622 . 1 1 51 51 GLN CB C 13 32.021 0.2 . 1 . . . . . . . . 6731 1 623 . 1 1 51 51 GLN HB2 H 1 2.048 0.02 . 1 . . . . . . . . 6731 1 624 . 1 1 51 51 GLN HB3 H 1 2.048 0.02 . 1 . . . . . . . . 6731 1 625 . 1 1 51 51 GLN CG C 13 33.197 0.2 . 1 . . . . . . . . 6731 1 626 . 1 1 51 51 GLN HG2 H 1 2.242 0.02 . 2 . . . . . . . . 6731 1 627 . 1 1 51 51 GLN HG3 H 1 2.307 0.02 . 2 . . . . . . . . 6731 1 628 . 1 1 51 51 GLN NE2 N 15 109.844 0.15 . 1 . . . . . . . . 6731 1 629 . 1 1 51 51 GLN HE21 H 1 6.654 0.02 . 2 . . . . . . . . 6731 1 630 . 1 1 51 51 GLN HE22 H 1 7.431 0.02 . 2 . . . . . . . . 6731 1 631 . 1 1 51 51 GLN C C 13 173.797 0.2 . 1 . . . . . . . . 6731 1 632 . 1 1 52 52 LYS N N 15 122.956 0.15 . 1 . . . . . . . . 6731 1 633 . 1 1 52 52 LYS H H 1 9.181 0.02 . 1 . . . . . . . . 6731 1 634 . 1 1 52 52 LYS CA C 13 54.526 0.2 . 1 . . . . . . . . 6731 1 635 . 1 1 52 52 LYS HA H 1 4.624 0.02 . 1 . . . . . . . . 6731 1 636 . 1 1 52 52 LYS CB C 13 35.979 0.2 . 1 . . . . . . . . 6731 1 637 . 1 1 52 52 LYS HB2 H 1 1.678 0.02 . 2 . . . . . . . . 6731 1 638 . 1 1 52 52 LYS HB3 H 1 2.058 0.02 . 2 . . . . . . . . 6731 1 639 . 1 1 52 52 LYS CG C 13 24.978 0.2 . 1 . . . . . . . . 6731 1 640 . 1 1 52 52 LYS HG2 H 1 1.286 0.02 . 2 . . . . . . . . 6731 1 641 . 1 1 52 52 LYS HG3 H 1 1.423 0.02 . 2 . . . . . . . . 6731 1 642 . 1 1 52 52 LYS CD C 13 29.222 0.2 . 1 . . . . . . . . 6731 1 643 . 1 1 52 52 LYS HD2 H 1 1.520 0.02 . 2 . . . . . . . . 6731 1 644 . 1 1 52 52 LYS HD3 H 1 1.625 0.02 . 2 . . . . . . . . 6731 1 645 . 1 1 52 52 LYS CE C 13 42.089 0.2 . 1 . . . . . . . . 6731 1 646 . 1 1 52 52 LYS HE2 H 1 2.763 0.02 . 1 . . . . . . . . 6731 1 647 . 1 1 52 52 LYS HE3 H 1 2.763 0.02 . 1 . . . . . . . . 6731 1 648 . 1 1 52 52 LYS C C 13 175.817 0.2 . 1 . . . . . . . . 6731 1 649 . 1 1 53 53 LYS N N 15 122.749 0.15 . 1 . . . . . . . . 6731 1 650 . 1 1 53 53 LYS H H 1 8.602 0.02 . 1 . . . . . . . . 6731 1 651 . 1 1 53 53 LYS CA C 13 59.056 0.2 . 1 . . . . . . . . 6731 1 652 . 1 1 53 53 LYS HA H 1 4.058 0.02 . 1 . . . . . . . . 6731 1 653 . 1 1 53 53 LYS CB C 13 31.339 0.2 . 1 . . . . . . . . 6731 1 654 . 1 1 53 53 LYS HB2 H 1 1.757 0.02 . 1 . . . . . . . . 6731 1 655 . 1 1 53 53 LYS HB3 H 1 1.757 0.02 . 1 . . . . . . . . 6731 1 656 . 1 1 53 53 LYS CG C 13 24.673 0.2 . 1 . . . . . . . . 6731 1 657 . 1 1 53 53 LYS HG2 H 1 1.308 0.02 . 2 . . . . . . . . 6731 1 658 . 1 1 53 53 LYS HG3 H 1 1.415 0.02 . 2 . . . . . . . . 6731 1 659 . 1 1 53 53 LYS CD C 13 29.223 0.2 . 1 . . . . . . . . 6731 1 660 . 1 1 53 53 LYS HD2 H 1 1.649 0.02 . 1 . . . . . . . . 6731 1 661 . 1 1 53 53 LYS HD3 H 1 1.649 0.02 . 1 . . . . . . . . 6731 1 662 . 1 1 53 53 LYS CE C 13 42.037 0.2 . 1 . . . . . . . . 6731 1 663 . 1 1 53 53 LYS HE2 H 1 2.930 0.02 . 1 . . . . . . . . 6731 1 664 . 1 1 53 53 LYS HE3 H 1 2.930 0.02 . 1 . . . . . . . . 6731 1 665 . 1 1 53 53 LYS C C 13 178.147 0.2 . 1 . . . . . . . . 6731 1 666 . 1 1 54 54 GLY N N 15 114.173 0.15 . 1 . . . . . . . . 6731 1 667 . 1 1 54 54 GLY H H 1 9.003 0.02 . 1 . . . . . . . . 6731 1 668 . 1 1 54 54 GLY CA C 13 46.427 0.2 . 1 . . . . . . . . 6731 1 669 . 1 1 54 54 GLY HA2 H 1 3.865 0.02 . 1 . . . . . . . . 6731 1 670 . 1 1 54 54 GLY HA3 H 1 3.865 0.02 . 1 . . . . . . . . 6731 1 671 . 1 1 54 54 GLY C C 13 174.247 0.2 . 1 . . . . . . . . 6731 1 672 . 1 1 55 55 TYR N N 15 124.348 0.15 . 1 . . . . . . . . 6731 1 673 . 1 1 55 55 TYR H H 1 8.128 0.02 . 1 . . . . . . . . 6731 1 674 . 1 1 55 55 TYR CA C 13 57.144 0.2 . 1 . . . . . . . . 6731 1 675 . 1 1 55 55 TYR HA H 1 5.752 0.02 . 1 . . . . . . . . 6731 1 676 . 1 1 55 55 TYR CB C 13 41.767 0.2 . 1 . . . . . . . . 6731 1 677 . 1 1 55 55 TYR HB2 H 1 2.279 0.02 . 2 . . . . . . . . 6731 1 678 . 1 1 55 55 TYR HB3 H 1 2.982 0.02 . 2 . . . . . . . . 6731 1 679 . 1 1 55 55 TYR CD1 C 13 132.715 0.2 . 1 . . . . . . . . 6731 1 680 . 1 1 55 55 TYR HD1 H 1 6.580 0.02 . 1 . . . . . . . . 6731 1 681 . 1 1 55 55 TYR CE1 C 13 117.238 0.2 . 1 . . . . . . . . 6731 1 682 . 1 1 55 55 TYR HE1 H 1 6.303 0.02 . 1 . . . . . . . . 6731 1 683 . 1 1 55 55 TYR CE2 C 13 117.238 0.2 . 1 . . . . . . . . 6731 1 684 . 1 1 55 55 TYR HE2 H 1 6.303 0.02 . 1 . . . . . . . . 6731 1 685 . 1 1 55 55 TYR CD2 C 13 132.715 0.2 . 1 . . . . . . . . 6731 1 686 . 1 1 55 55 TYR HD2 H 1 6.580 0.02 . 1 . . . . . . . . 6731 1 687 . 1 1 55 55 TYR C C 13 172.507 0.2 . 1 . . . . . . . . 6731 1 688 . 1 1 56 56 VAL N N 15 125.678 0.15 . 1 . . . . . . . . 6731 1 689 . 1 1 56 56 VAL H H 1 7.953 0.02 . 1 . . . . . . . . 6731 1 690 . 1 1 56 56 VAL CA C 13 60.611 0.2 . 1 . . . . . . . . 6731 1 691 . 1 1 56 56 VAL HA H 1 4.032 0.02 . 1 . . . . . . . . 6731 1 692 . 1 1 56 56 VAL CB C 13 35.947 0.2 . 1 . . . . . . . . 6731 1 693 . 1 1 56 56 VAL HB H 1 1.243 0.02 . 1 . . . . . . . . 6731 1 694 . 1 1 56 56 VAL HG11 H 1 0.183 0.02 . 2 . . . . . . . . 6731 1 695 . 1 1 56 56 VAL HG12 H 1 0.183 0.02 . 2 . . . . . . . . 6731 1 696 . 1 1 56 56 VAL HG13 H 1 0.183 0.02 . 2 . . . . . . . . 6731 1 697 . 1 1 56 56 VAL HG21 H 1 0.493 0.02 . 2 . . . . . . . . 6731 1 698 . 1 1 56 56 VAL HG22 H 1 0.493 0.02 . 2 . . . . . . . . 6731 1 699 . 1 1 56 56 VAL HG23 H 1 0.493 0.02 . 2 . . . . . . . . 6731 1 700 . 1 1 56 56 VAL CG1 C 13 22.275 0.2 . 2 . . . . . . . . 6731 1 701 . 1 1 56 56 VAL CG2 C 13 21.845 0.2 . 2 . . . . . . . . 6731 1 702 . 1 1 56 56 VAL C C 13 170.807 0.2 . 1 . . . . . . . . 6731 1 703 . 1 1 57 57 LEU N N 15 126.561 0.15 . 1 . . . . . . . . 6731 1 704 . 1 1 57 57 LEU H H 1 7.896 0.02 . 1 . . . . . . . . 6731 1 705 . 1 1 57 57 LEU CA C 13 53.385 0.2 . 1 . . . . . . . . 6731 1 706 . 1 1 57 57 LEU HA H 1 4.919 0.02 . 1 . . . . . . . . 6731 1 707 . 1 1 57 57 LEU CB C 13 44.577 0.2 . 1 . . . . . . . . 6731 1 708 . 1 1 57 57 LEU HB2 H 1 1.306 0.02 . 2 . . . . . . . . 6731 1 709 . 1 1 57 57 LEU HB3 H 1 1.561 0.02 . 2 . . . . . . . . 6731 1 710 . 1 1 57 57 LEU CG C 13 28.718 0.2 . 1 . . . . . . . . 6731 1 711 . 1 1 57 57 LEU HG H 1 1.206 0.02 . 1 . . . . . . . . 6731 1 712 . 1 1 57 57 LEU HD11 H 1 0.738 0.02 . 2 . . . . . . . . 6731 1 713 . 1 1 57 57 LEU HD12 H 1 0.738 0.02 . 2 . . . . . . . . 6731 1 714 . 1 1 57 57 LEU HD13 H 1 0.738 0.02 . 2 . . . . . . . . 6731 1 715 . 1 1 57 57 LEU HD21 H 1 0.787 0.02 . 2 . . . . . . . . 6731 1 716 . 1 1 57 57 LEU HD22 H 1 0.787 0.02 . 2 . . . . . . . . 6731 1 717 . 1 1 57 57 LEU HD23 H 1 0.787 0.02 . 2 . . . . . . . . 6731 1 718 . 1 1 57 57 LEU CD1 C 13 24.944 0.2 . 2 . . . . . . . . 6731 1 719 . 1 1 57 57 LEU CD2 C 13 24.175 0.2 . 2 . . . . . . . . 6731 1 720 . 1 1 57 57 LEU C C 13 174.867 0.2 . 1 . . . . . . . . 6731 1 721 . 1 1 58 58 PHE N N 15 125.788 0.15 . 1 . . . . . . . . 6731 1 722 . 1 1 58 58 PHE H H 1 9.000 0.02 . 1 . . . . . . . . 6731 1 723 . 1 1 58 58 PHE CA C 13 55.677 0.2 . 1 . . . . . . . . 6731 1 724 . 1 1 58 58 PHE HA H 1 5.752 0.02 . 1 . . . . . . . . 6731 1 725 . 1 1 58 58 PHE CB C 13 44.731 0.2 . 1 . . . . . . . . 6731 1 726 . 1 1 58 58 PHE HB2 H 1 2.380 0.02 . 2 . . . . . . . . 6731 1 727 . 1 1 58 58 PHE HB3 H 1 3.176 0.02 . 2 . . . . . . . . 6731 1 728 . 1 1 58 58 PHE CD1 C 13 130.697 0.2 . 1 . . . . . . . . 6731 1 729 . 1 1 58 58 PHE HD1 H 1 7.167 0.02 . 1 . . . . . . . . 6731 1 730 . 1 1 58 58 PHE HE1 H 1 7.470 0.02 . 1 . . . . . . . . 6731 1 731 . 1 1 58 58 PHE HE2 H 1 7.470 0.02 . 1 . . . . . . . . 6731 1 732 . 1 1 58 58 PHE CD2 C 13 130.697 0.2 . 1 . . . . . . . . 6731 1 733 . 1 1 58 58 PHE HD2 H 1 7.167 0.02 . 1 . . . . . . . . 6731 1 734 . 1 1 58 58 PHE C C 13 174.677 0.2 . 1 . . . . . . . . 6731 1 735 . 1 1 59 59 ARG N N 15 120.796 0.15 . 1 . . . . . . . . 6731 1 736 . 1 1 59 59 ARG H H 1 9.527 0.02 . 1 . . . . . . . . 6731 1 737 . 1 1 59 59 ARG CA C 13 54.428 0.2 . 1 . . . . . . . . 6731 1 738 . 1 1 59 59 ARG HA H 1 6.090 0.02 . 1 . . . . . . . . 6731 1 739 . 1 1 59 59 ARG CB C 13 36.383 0.2 . 1 . . . . . . . . 6731 1 740 . 1 1 59 59 ARG HB2 H 1 1.571 0.02 . 2 . . . . . . . . 6731 1 741 . 1 1 59 59 ARG HB3 H 1 1.720 0.02 . 2 . . . . . . . . 6731 1 742 . 1 1 59 59 ARG CG C 13 28.397 0.2 . 1 . . . . . . . . 6731 1 743 . 1 1 59 59 ARG HG2 H 1 1.597 0.02 . 2 . . . . . . . . 6731 1 744 . 1 1 59 59 ARG HG3 H 1 1.600 0.02 . 2 . . . . . . . . 6731 1 745 . 1 1 59 59 ARG CD C 13 43.626 0.2 . 1 . . . . . . . . 6731 1 746 . 1 1 59 59 ARG HD2 H 1 3.073 0.02 . 2 . . . . . . . . 6731 1 747 . 1 1 59 59 ARG HD3 H 1 3.163 0.02 . 2 . . . . . . . . 6731 1 748 . 1 1 59 59 ARG NE N 15 83.632 0.15 . 1 . . . . . . . . 6731 1 749 . 1 1 59 59 ARG HE H 1 7.281 0.02 . 1 . . . . . . . . 6731 1 750 . 1 1 59 59 ARG C C 13 175.117 0.2 . 1 . . . . . . . . 6731 1 751 . 1 1 60 60 LYS N N 15 124.684 0.15 . 1 . . . . . . . . 6731 1 752 . 1 1 60 60 LYS H H 1 8.883 0.02 . 1 . . . . . . . . 6731 1 753 . 1 1 60 60 LYS CA C 13 55.651 0.2 . 1 . . . . . . . . 6731 1 754 . 1 1 60 60 LYS HA H 1 4.504 0.02 . 1 . . . . . . . . 6731 1 755 . 1 1 60 60 LYS CB C 13 36.830 0.2 . 1 . . . . . . . . 6731 1 756 . 1 1 60 60 LYS HB2 H 1 0.815 0.02 . 2 . . . . . . . . 6731 1 757 . 1 1 60 60 LYS HB3 H 1 0.904 0.02 . 2 . . . . . . . . 6731 1 758 . 1 1 60 60 LYS CG C 13 24.827 0.2 . 1 . . . . . . . . 6731 1 759 . 1 1 60 60 LYS HG2 H 1 0.710 0.02 . 1 . . . . . . . . 6731 1 760 . 1 1 60 60 LYS HG3 H 1 0.710 0.02 . 1 . . . . . . . . 6731 1 761 . 1 1 60 60 LYS CD C 13 28.899 0.2 . 1 . . . . . . . . 6731 1 762 . 1 1 60 60 LYS HD2 H 1 0.490 0.02 . 2 . . . . . . . . 6731 1 763 . 1 1 60 60 LYS HD3 H 1 0.102 0.02 . 2 . . . . . . . . 6731 1 764 . 1 1 60 60 LYS CE C 13 40.868 0.2 . 1 . . . . . . . . 6731 1 765 . 1 1 60 60 LYS HE2 H 1 1.613 0.02 . 2 . . . . . . . . 6731 1 766 . 1 1 60 60 LYS HE3 H 1 1.847 0.02 . 2 . . . . . . . . 6731 1 767 . 1 1 60 60 LYS C C 13 174.267 0.2 . 1 . . . . . . . . 6731 1 768 . 1 1 61 61 GLN N N 15 123.433 0.15 . 1 . . . . . . . . 6731 1 769 . 1 1 61 61 GLN H H 1 8.459 0.02 . 1 . . . . . . . . 6731 1 770 . 1 1 61 61 GLN CA C 13 54.665 0.2 . 1 . . . . . . . . 6731 1 771 . 1 1 61 61 GLN HA H 1 4.454 0.02 . 1 . . . . . . . . 6731 1 772 . 1 1 61 61 GLN CB C 13 28.296 0.2 . 1 . . . . . . . . 6731 1 773 . 1 1 61 61 GLN HB2 H 1 1.831 0.02 . 2 . . . . . . . . 6731 1 774 . 1 1 61 61 GLN HB3 H 1 1.990 0.02 . 2 . . . . . . . . 6731 1 775 . 1 1 61 61 GLN CG C 13 33.571 0.2 . 1 . . . . . . . . 6731 1 776 . 1 1 61 61 GLN HG2 H 1 2.213 0.02 . 1 . . . . . . . . 6731 1 777 . 1 1 61 61 GLN HG3 H 1 2.213 0.02 . 1 . . . . . . . . 6731 1 778 . 1 1 61 61 GLN NE2 N 15 110.851 0.15 . 1 . . . . . . . . 6731 1 779 . 1 1 61 61 GLN HE21 H 1 6.491 0.02 . 2 . . . . . . . . 6731 1 780 . 1 1 61 61 GLN HE22 H 1 7.420 0.02 . 2 . . . . . . . . 6731 1 781 . 1 1 61 61 GLN C C 13 175.537 0.2 . 1 . . . . . . . . 6731 1 782 . 1 1 62 62 MET HE1 H 1 1.884 0.02 . 1 . . . . . . . . 6731 1 783 . 1 1 62 62 MET HE2 H 1 1.884 0.02 . 1 . . . . . . . . 6731 1 784 . 1 1 62 62 MET HE3 H 1 1.884 0.02 . 1 . . . . . . . . 6731 1 785 . 1 1 62 62 MET CE C 13 16.195 0.2 . 1 . . . . . . . . 6731 1 786 . 1 1 63 63 ASP CA C 13 52.687 0.2 . 1 . . . . . . . . 6731 1 787 . 1 1 63 63 ASP HA H 1 4.790 0.02 . 1 . . . . . . . . 6731 1 788 . 1 1 63 63 ASP CB C 13 39.297 0.2 . 1 . . . . . . . . 6731 1 789 . 1 1 63 63 ASP HB2 H 1 2.480 0.02 . 2 . . . . . . . . 6731 1 790 . 1 1 63 63 ASP HB3 H 1 2.670 0.02 . 2 . . . . . . . . 6731 1 791 . 1 1 64 64 ASP N N 15 113.923 0.15 . 1 . . . . . . . . 6731 1 792 . 1 1 64 64 ASP H H 1 7.749 0.02 . 1 . . . . . . . . 6731 1 793 . 1 1 64 64 ASP CA C 13 52.197 0.2 . 1 . . . . . . . . 6731 1 794 . 1 1 64 64 ASP HA H 1 4.764 0.02 . 1 . . . . . . . . 6731 1 795 . 1 1 64 64 ASP CB C 13 43.349 0.2 . 1 . . . . . . . . 6731 1 796 . 1 1 64 64 ASP HB2 H 1 2.633 0.02 . 2 . . . . . . . . 6731 1 797 . 1 1 64 64 ASP HB3 H 1 2.713 0.02 . 2 . . . . . . . . 6731 1 798 . 1 1 64 64 ASP C C 13 173.777 0.2 . 1 . . . . . . . . 6731 1 799 . 1 1 65 65 ILE N N 15 115.211 0.15 . 1 . . . . . . . . 6731 1 800 . 1 1 65 65 ILE H H 1 9.353 0.02 . 1 . . . . . . . . 6731 1 801 . 1 1 65 65 ILE CA C 13 61.480 0.2 . 1 . . . . . . . . 6731 1 802 . 1 1 65 65 ILE HA H 1 4.316 0.02 . 1 . . . . . . . . 6731 1 803 . 1 1 65 65 ILE CB C 13 38.327 0.2 . 1 . . . . . . . . 6731 1 804 . 1 1 65 65 ILE HB H 1 2.189 0.02 . 1 . . . . . . . . 6731 1 805 . 1 1 65 65 ILE HG21 H 1 0.554 0.02 . 1 . . . . . . . . 6731 1 806 . 1 1 65 65 ILE HG22 H 1 0.554 0.02 . 1 . . . . . . . . 6731 1 807 . 1 1 65 65 ILE HG23 H 1 0.554 0.02 . 1 . . . . . . . . 6731 1 808 . 1 1 65 65 ILE CG2 C 13 18.926 0.2 . 1 . . . . . . . . 6731 1 809 . 1 1 65 65 ILE CG1 C 13 25.487 0.2 . 1 . . . . . . . . 6731 1 810 . 1 1 65 65 ILE HG12 H 1 0.719 0.02 . 2 . . . . . . . . 6731 1 811 . 1 1 65 65 ILE HG13 H 1 1.191 0.02 . 2 . . . . . . . . 6731 1 812 . 1 1 65 65 ILE HD11 H 1 0.531 0.02 . 1 . . . . . . . . 6731 1 813 . 1 1 65 65 ILE HD12 H 1 0.531 0.02 . 1 . . . . . . . . 6731 1 814 . 1 1 65 65 ILE HD13 H 1 0.531 0.02 . 1 . . . . . . . . 6731 1 815 . 1 1 65 65 ILE CD1 C 13 13.809 0.2 . 1 . . . . . . . . 6731 1 816 . 1 1 65 65 ILE C C 13 173.767 0.2 . 1 . . . . . . . . 6731 1 817 . 1 1 66 66 SER N N 15 119.140 0.15 . 1 . . . . . . . . 6731 1 818 . 1 1 66 66 SER H H 1 9.293 0.02 . 1 . . . . . . . . 6731 1 819 . 1 1 66 66 SER CA C 13 56.666 0.2 . 1 . . . . . . . . 6731 1 820 . 1 1 66 66 SER HA H 1 2.839 0.02 . 1 . . . . . . . . 6731 1 821 . 1 1 66 66 SER CB C 13 63.277 0.2 . 1 . . . . . . . . 6731 1 822 . 1 1 66 66 SER HB2 H 1 3.766 0.02 . 2 . . . . . . . . 6731 1 823 . 1 1 66 66 SER HB3 H 1 3.851 0.02 . 2 . . . . . . . . 6731 1 824 . 1 1 66 66 SER C C 13 174.067 0.2 . 1 . . . . . . . . 6731 1 825 . 1 1 67 67 PRO CD C 13 50.222 0.2 . 1 . . . . . . . . 6731 1 826 . 1 1 67 67 PRO CA C 13 65.389 0.2 . 1 . . . . . . . . 6731 1 827 . 1 1 67 67 PRO HA H 1 3.923 0.02 . 1 . . . . . . . . 6731 1 828 . 1 1 67 67 PRO CB C 13 31.877 0.2 . 1 . . . . . . . . 6731 1 829 . 1 1 67 67 PRO HB2 H 1 1.770 0.02 . 2 . . . . . . . . 6731 1 830 . 1 1 67 67 PRO HB3 H 1 2.271 0.02 . 2 . . . . . . . . 6731 1 831 . 1 1 67 67 PRO CG C 13 27.779 0.2 . 1 . . . . . . . . 6731 1 832 . 1 1 67 67 PRO HG2 H 1 1.932 0.02 . 2 . . . . . . . . 6731 1 833 . 1 1 67 67 PRO HG3 H 1 2.024 0.02 . 2 . . . . . . . . 6731 1 834 . 1 1 67 67 PRO HD2 H 1 3.129 0.02 . 2 . . . . . . . . 6731 1 835 . 1 1 67 67 PRO HD3 H 1 3.327 0.02 . 2 . . . . . . . . 6731 1 836 . 1 1 67 67 PRO C C 13 179.847 0.2 . 1 . . . . . . . . 6731 1 837 . 1 1 68 68 LEU N N 15 115.879 0.15 . 1 . . . . . . . . 6731 1 838 . 1 1 68 68 LEU H H 1 7.796 0.02 . 1 . . . . . . . . 6731 1 839 . 1 1 68 68 LEU CA C 13 56.869 0.2 . 1 . . . . . . . . 6731 1 840 . 1 1 68 68 LEU HA H 1 4.025 0.02 . 1 . . . . . . . . 6731 1 841 . 1 1 68 68 LEU CB C 13 41.209 0.2 . 1 . . . . . . . . 6731 1 842 . 1 1 68 68 LEU HB2 H 1 0.958 0.02 . 2 . . . . . . . . 6731 1 843 . 1 1 68 68 LEU HB3 H 1 1.287 0.02 . 2 . . . . . . . . 6731 1 844 . 1 1 68 68 LEU CG C 13 27.036 0.2 . 1 . . . . . . . . 6731 1 845 . 1 1 68 68 LEU HG H 1 1.345 0.02 . 1 . . . . . . . . 6731 1 846 . 1 1 68 68 LEU HD11 H 1 0.539 0.02 . 2 . . . . . . . . 6731 1 847 . 1 1 68 68 LEU HD12 H 1 0.539 0.02 . 2 . . . . . . . . 6731 1 848 . 1 1 68 68 LEU HD13 H 1 0.539 0.02 . 2 . . . . . . . . 6731 1 849 . 1 1 68 68 LEU HD21 H 1 0.737 0.02 . 2 . . . . . . . . 6731 1 850 . 1 1 68 68 LEU HD22 H 1 0.737 0.02 . 2 . . . . . . . . 6731 1 851 . 1 1 68 68 LEU HD23 H 1 0.737 0.02 . 2 . . . . . . . . 6731 1 852 . 1 1 68 68 LEU CD1 C 13 23.476 0.2 . 2 . . . . . . . . 6731 1 853 . 1 1 68 68 LEU CD2 C 13 23.873 0.2 . 2 . . . . . . . . 6731 1 854 . 1 1 68 68 LEU C C 13 179.887 0.2 . 1 . . . . . . . . 6731 1 855 . 1 1 69 69 SER N N 15 119.863 0.15 . 1 . . . . . . . . 6731 1 856 . 1 1 69 69 SER H H 1 7.957 0.02 . 1 . . . . . . . . 6731 1 857 . 1 1 69 69 SER CA C 13 61.103 0.2 . 1 . . . . . . . . 6731 1 858 . 1 1 69 69 SER HA H 1 3.958 0.02 . 1 . . . . . . . . 6731 1 859 . 1 1 69 69 SER CB C 13 62.797 0.2 . 1 . . . . . . . . 6731 1 860 . 1 1 69 69 SER C C 13 175.097 0.2 . 1 . . . . . . . . 6731 1 861 . 1 1 70 70 LYS N N 15 117.711 0.15 . 1 . . . . . . . . 6731 1 862 . 1 1 70 70 LYS H H 1 7.339 0.02 . 1 . . . . . . . . 6731 1 863 . 1 1 70 70 LYS CA C 13 59.183 0.2 . 1 . . . . . . . . 6731 1 864 . 1 1 70 70 LYS HA H 1 4.046 0.02 . 1 . . . . . . . . 6731 1 865 . 1 1 70 70 LYS CB C 13 32.137 0.2 . 1 . . . . . . . . 6731 1 866 . 1 1 70 70 LYS HB2 H 1 1.763 0.02 . 2 . . . . . . . . 6731 1 867 . 1 1 70 70 LYS HB3 H 1 1.909 0.02 . 2 . . . . . . . . 6731 1 868 . 1 1 70 70 LYS CG C 13 27.071 0.2 . 1 . . . . . . . . 6731 1 869 . 1 1 70 70 LYS HG2 H 1 1.222 0.02 . 2 . . . . . . . . 6731 1 870 . 1 1 70 70 LYS CD C 13 29.854 0.2 . 1 . . . . . . . . 6731 1 871 . 1 1 70 70 LYS HD2 H 1 1.415 0.02 . 2 . . . . . . . . 6731 1 872 . 1 1 70 70 LYS HD3 H 1 1.624 0.02 . 2 . . . . . . . . 6731 1 873 . 1 1 70 70 LYS CE C 13 42.836 0.2 . 1 . . . . . . . . 6731 1 874 . 1 1 70 70 LYS HE2 H 1 2.657 0.02 . 2 . . . . . . . . 6731 1 875 . 1 1 70 70 LYS HE3 H 1 2.853 0.02 . 2 . . . . . . . . 6731 1 876 . 1 1 70 70 LYS C C 13 175.897 0.2 . 1 . . . . . . . . 6731 1 877 . 1 1 71 71 VAL N N 15 113.787 0.15 . 1 . . . . . . . . 6731 1 878 . 1 1 71 71 VAL H H 1 7.156 0.02 . 1 . . . . . . . . 6731 1 879 . 1 1 71 71 VAL CA C 13 63.273 0.2 . 1 . . . . . . . . 6731 1 880 . 1 1 71 71 VAL HA H 1 4.086 0.02 . 1 . . . . . . . . 6731 1 881 . 1 1 71 71 VAL CB C 13 32.896 0.2 . 1 . . . . . . . . 6731 1 882 . 1 1 71 71 VAL HB H 1 2.111 0.02 . 1 . . . . . . . . 6731 1 883 . 1 1 71 71 VAL HG11 H 1 0.837 0.02 . 2 . . . . . . . . 6731 1 884 . 1 1 71 71 VAL HG12 H 1 0.837 0.02 . 2 . . . . . . . . 6731 1 885 . 1 1 71 71 VAL HG13 H 1 0.837 0.02 . 2 . . . . . . . . 6731 1 886 . 1 1 71 71 VAL HG21 H 1 0.879 0.02 . 2 . . . . . . . . 6731 1 887 . 1 1 71 71 VAL HG22 H 1 0.879 0.02 . 2 . . . . . . . . 6731 1 888 . 1 1 71 71 VAL HG23 H 1 0.879 0.02 . 2 . . . . . . . . 6731 1 889 . 1 1 71 71 VAL CG1 C 13 21.101 0.2 . 2 . . . . . . . . 6731 1 890 . 1 1 71 71 VAL CG2 C 13 20.937 0.2 . 2 . . . . . . . . 6731 1 891 . 1 1 71 71 VAL C C 13 177.617 0.2 . 1 . . . . . . . . 6731 1 892 . 1 1 72 72 ASN N N 15 116.159 0.15 . 1 . . . . . . . . 6731 1 893 . 1 1 72 72 ASN H H 1 7.948 0.02 . 1 . . . . . . . . 6731 1 894 . 1 1 72 72 ASN CA C 13 52.057 0.2 . 1 . . . . . . . . 6731 1 895 . 1 1 72 72 ASN HA H 1 4.761 0.02 . 1 . . . . . . . . 6731 1 896 . 1 1 72 72 ASN CB C 13 39.879 0.2 . 1 . . . . . . . . 6731 1 897 . 1 1 72 72 ASN HB2 H 1 2.549 0.02 . 2 . . . . . . . . 6731 1 898 . 1 1 72 72 ASN HB3 H 1 2.898 0.02 . 2 . . . . . . . . 6731 1 899 . 1 1 72 72 ASN C C 13 175.507 0.2 . 1 . . . . . . . . 6731 1 900 . 1 1 73 73 GLY N N 15 109.274 0.15 . 1 . . . . . . . . 6731 1 901 . 1 1 73 73 GLY H H 1 8.679 0.02 . 1 . . . . . . . . 6731 1 902 . 1 1 73 73 GLY CA C 13 46.665 0.2 . 1 . . . . . . . . 6731 1 903 . 1 1 73 73 GLY HA2 H 1 3.911 0.02 . 2 . . . . . . . . 6731 1 904 . 1 1 73 73 GLY HA3 H 1 4.136 0.02 . 2 . . . . . . . . 6731 1 905 . 1 1 73 73 GLY C C 13 172.647 0.2 . 1 . . . . . . . . 6731 1 906 . 1 1 74 74 TYR N N 15 128.742 0.15 . 1 . . . . . . . . 6731 1 907 . 1 1 74 74 TYR H H 1 9.758 0.02 . 1 . . . . . . . . 6731 1 908 . 1 1 74 74 TYR CA C 13 58.262 0.2 . 1 . . . . . . . . 6731 1 909 . 1 1 74 74 TYR HA H 1 5.291 0.02 . 1 . . . . . . . . 6731 1 910 . 1 1 74 74 TYR CB C 13 44.400 0.2 . 1 . . . . . . . . 6731 1 911 . 1 1 74 74 TYR HB2 H 1 2.502 0.02 . 2 . . . . . . . . 6731 1 912 . 1 1 74 74 TYR HB3 H 1 2.864 0.02 . 2 . . . . . . . . 6731 1 913 . 1 1 74 74 TYR HD1 H 1 6.750 0.02 . 1 . . . . . . . . 6731 1 914 . 1 1 74 74 TYR HE1 H 1 6.580 0.02 . 1 . . . . . . . . 6731 1 915 . 1 1 74 74 TYR HE2 H 1 6.580 0.02 . 1 . . . . . . . . 6731 1 916 . 1 1 74 74 TYR HD2 H 1 6.750 0.02 . 1 . . . . . . . . 6731 1 917 . 1 1 74 74 TYR C C 13 175.567 0.2 . 1 . . . . . . . . 6731 1 918 . 1 1 75 75 ILE N N 15 122.911 0.15 . 1 . . . . . . . . 6731 1 919 . 1 1 75 75 ILE H H 1 9.886 0.02 . 1 . . . . . . . . 6731 1 920 . 1 1 75 75 ILE CA C 13 60.060 0.2 . 1 . . . . . . . . 6731 1 921 . 1 1 75 75 ILE HA H 1 5.273 0.02 . 1 . . . . . . . . 6731 1 922 . 1 1 75 75 ILE CB C 13 40.496 0.2 . 1 . . . . . . . . 6731 1 923 . 1 1 75 75 ILE HB H 1 1.756 0.02 . 1 . . . . . . . . 6731 1 924 . 1 1 75 75 ILE HG21 H 1 0.855 0.02 . 1 . . . . . . . . 6731 1 925 . 1 1 75 75 ILE HG22 H 1 0.855 0.02 . 1 . . . . . . . . 6731 1 926 . 1 1 75 75 ILE HG23 H 1 0.855 0.02 . 1 . . . . . . . . 6731 1 927 . 1 1 75 75 ILE CG2 C 13 17.707 0.2 . 1 . . . . . . . . 6731 1 928 . 1 1 75 75 ILE CG1 C 13 29.418 0.2 . 1 . . . . . . . . 6731 1 929 . 1 1 75 75 ILE HG12 H 1 1.037 0.02 . 2 . . . . . . . . 6731 1 930 . 1 1 75 75 ILE HG13 H 1 1.791 0.02 . 2 . . . . . . . . 6731 1 931 . 1 1 75 75 ILE HD11 H 1 0.483 0.02 . 1 . . . . . . . . 6731 1 932 . 1 1 75 75 ILE HD12 H 1 0.483 0.02 . 1 . . . . . . . . 6731 1 933 . 1 1 75 75 ILE HD13 H 1 0.483 0.02 . 1 . . . . . . . . 6731 1 934 . 1 1 75 75 ILE CD1 C 13 13.941 0.2 . 1 . . . . . . . . 6731 1 935 . 1 1 75 75 ILE C C 13 175.157 0.2 . 1 . . . . . . . . 6731 1 936 . 1 1 76 76 GLY N N 15 113.775 0.15 . 1 . . . . . . . . 6731 1 937 . 1 1 76 76 GLY H H 1 9.061 0.02 . 1 . . . . . . . . 6731 1 938 . 1 1 76 76 GLY CA C 13 44.771 0.2 . 1 . . . . . . . . 6731 1 939 . 1 1 76 76 GLY HA2 H 1 3.830 0.02 . 2 . . . . . . . . 6731 1 940 . 1 1 76 76 GLY HA3 H 1 4.964 0.02 . 2 . . . . . . . . 6731 1 941 . 1 1 76 76 GLY C C 13 171.267 0.2 . 1 . . . . . . . . 6731 1 942 . 1 1 77 77 VAL N N 15 118.433 0.15 . 1 . . . . . . . . 6731 1 943 . 1 1 77 77 VAL H H 1 8.919 0.02 . 1 . . . . . . . . 6731 1 944 . 1 1 77 77 VAL CA C 13 58.519 0.2 . 1 . . . . . . . . 6731 1 945 . 1 1 77 77 VAL HA H 1 5.399 0.02 . 1 . . . . . . . . 6731 1 946 . 1 1 77 77 VAL CB C 13 36.061 0.2 . 1 . . . . . . . . 6731 1 947 . 1 1 77 77 VAL HB H 1 1.735 0.02 . 1 . . . . . . . . 6731 1 948 . 1 1 77 77 VAL HG11 H 1 0.761 0.02 . 2 . . . . . . . . 6731 1 949 . 1 1 77 77 VAL HG12 H 1 0.761 0.02 . 2 . . . . . . . . 6731 1 950 . 1 1 77 77 VAL HG13 H 1 0.761 0.02 . 2 . . . . . . . . 6731 1 951 . 1 1 77 77 VAL HG21 H 1 0.962 0.02 . 2 . . . . . . . . 6731 1 952 . 1 1 77 77 VAL HG22 H 1 0.962 0.02 . 2 . . . . . . . . 6731 1 953 . 1 1 77 77 VAL HG23 H 1 0.962 0.02 . 2 . . . . . . . . 6731 1 954 . 1 1 77 77 VAL CG1 C 13 20.628 0.2 . 2 . . . . . . . . 6731 1 955 . 1 1 77 77 VAL CG2 C 13 21.527 0.2 . 2 . . . . . . . . 6731 1 956 . 1 1 77 77 VAL C C 13 174.087 0.2 . 1 . . . . . . . . 6731 1 957 . 1 1 78 78 SER N N 15 120.507 0.15 . 1 . . . . . . . . 6731 1 958 . 1 1 78 78 SER H H 1 8.398 0.02 . 1 . . . . . . . . 6731 1 959 . 1 1 78 78 SER CA C 13 56.857 0.2 . 1 . . . . . . . . 6731 1 960 . 1 1 78 78 SER HA H 1 4.807 0.02 . 1 . . . . . . . . 6731 1 961 . 1 1 78 78 SER CB C 13 65.752 0.2 . 1 . . . . . . . . 6731 1 962 . 1 1 78 78 SER HB2 H 1 4.032 0.02 . 2 . . . . . . . . 6731 1 963 . 1 1 78 78 SER HB3 H 1 4.314 0.02 . 2 . . . . . . . . 6731 1 964 . 1 1 78 78 SER C C 13 175.367 0.2 . 1 . . . . . . . . 6731 1 965 . 1 1 79 79 ASP N N 15 119.844 0.15 . 1 . . . . . . . . 6731 1 966 . 1 1 79 79 ASP H H 1 8.865 0.02 . 1 . . . . . . . . 6731 1 967 . 1 1 79 79 ASP CA C 13 56.447 0.2 . 1 . . . . . . . . 6731 1 968 . 1 1 79 79 ASP HA H 1 4.321 0.02 . 1 . . . . . . . . 6731 1 969 . 1 1 79 79 ASP CB C 13 40.237 0.2 . 1 . . . . . . . . 6731 1 970 . 1 1 79 79 ASP HB2 H 1 2.659 0.02 . 1 . . . . . . . . 6731 1 971 . 1 1 79 79 ASP HB3 H 1 2.659 0.02 . 1 . . . . . . . . 6731 1 972 . 1 1 79 79 ASP C C 13 176.277 0.2 . 1 . . . . . . . . 6731 1 973 . 1 1 80 80 ASN N N 15 114.625 0.15 . 1 . . . . . . . . 6731 1 974 . 1 1 80 80 ASN H H 1 8.009 0.02 . 1 . . . . . . . . 6731 1 975 . 1 1 80 80 ASN CA C 13 52.466 0.2 . 1 . . . . . . . . 6731 1 976 . 1 1 80 80 ASN HA H 1 4.812 0.02 . 1 . . . . . . . . 6731 1 977 . 1 1 80 80 ASN CB C 13 38.189 0.2 . 1 . . . . . . . . 6731 1 978 . 1 1 80 80 ASN HB2 H 1 2.790 0.02 . 2 . . . . . . . . 6731 1 979 . 1 1 80 80 ASN HB3 H 1 2.850 0.02 . 2 . . . . . . . . 6731 1 980 . 1 1 80 80 ASN ND2 N 15 112.177 0.15 . 1 . . . . . . . . 6731 1 981 . 1 1 80 80 ASN HD21 H 1 6.862 0.02 . 2 . . . . . . . . 6731 1 982 . 1 1 80 80 ASN HD22 H 1 7.507 0.02 . 2 . . . . . . . . 6731 1 983 . 1 1 80 80 ASN C C 13 175.557 0.2 . 1 . . . . . . . . 6731 1 984 . 1 1 81 81 GLY N N 15 107.073 0.15 . 1 . . . . . . . . 6731 1 985 . 1 1 81 81 GLY H H 1 8.061 0.02 . 1 . . . . . . . . 6731 1 986 . 1 1 81 81 GLY CA C 13 46.177 0.2 . 1 . . . . . . . . 6731 1 987 . 1 1 81 81 GLY HA2 H 1 3.409 0.02 . 2 . . . . . . . . 6731 1 988 . 1 1 81 81 GLY HA3 H 1 4.483 0.02 . 2 . . . . . . . . 6731 1 989 . 1 1 81 81 GLY C C 13 173.297 0.2 . 1 . . . . . . . . 6731 1 990 . 1 1 82 82 VAL N N 15 119.825 0.15 . 1 . . . . . . . . 6731 1 991 . 1 1 82 82 VAL H H 1 7.783 0.02 . 1 . . . . . . . . 6731 1 992 . 1 1 82 82 VAL CA C 13 63.287 0.2 . 1 . . . . . . . . 6731 1 993 . 1 1 82 82 VAL HA H 1 4.089 0.02 . 1 . . . . . . . . 6731 1 994 . 1 1 82 82 VAL CB C 13 31.987 0.2 . 1 . . . . . . . . 6731 1 995 . 1 1 82 82 VAL HB H 1 1.996 0.02 . 1 . . . . . . . . 6731 1 996 . 1 1 82 82 VAL HG11 H 1 0.729 0.02 . 2 . . . . . . . . 6731 1 997 . 1 1 82 82 VAL HG12 H 1 0.729 0.02 . 2 . . . . . . . . 6731 1 998 . 1 1 82 82 VAL HG13 H 1 0.729 0.02 . 2 . . . . . . . . 6731 1 999 . 1 1 82 82 VAL HG21 H 1 0.786 0.02 . 2 . . . . . . . . 6731 1 1000 . 1 1 82 82 VAL HG22 H 1 0.786 0.02 . 2 . . . . . . . . 6731 1 1001 . 1 1 82 82 VAL HG23 H 1 0.786 0.02 . 2 . . . . . . . . 6731 1 1002 . 1 1 82 82 VAL CG1 C 13 21.748 0.2 . 2 . . . . . . . . 6731 1 1003 . 1 1 82 82 VAL CG2 C 13 22.017 0.2 . 2 . . . . . . . . 6731 1 1004 . 1 1 82 82 VAL C C 13 176.897 0.2 . 1 . . . . . . . . 6731 1 1005 . 1 1 83 83 ILE N N 15 132.323 0.15 . 1 . . . . . . . . 6731 1 1006 . 1 1 83 83 ILE H H 1 8.756 0.02 . 1 . . . . . . . . 6731 1 1007 . 1 1 83 83 ILE CA C 13 58.951 0.2 . 1 . . . . . . . . 6731 1 1008 . 1 1 83 83 ILE HA H 1 4.661 0.02 . 1 . . . . . . . . 6731 1 1009 . 1 1 83 83 ILE CB C 13 36.096 0.2 . 1 . . . . . . . . 6731 1 1010 . 1 1 83 83 ILE HB H 1 1.471 0.02 . 1 . . . . . . . . 6731 1 1011 . 1 1 83 83 ILE HG21 H 1 0.542 0.02 . 1 . . . . . . . . 6731 1 1012 . 1 1 83 83 ILE HG22 H 1 0.542 0.02 . 1 . . . . . . . . 6731 1 1013 . 1 1 83 83 ILE HG23 H 1 0.542 0.02 . 1 . . . . . . . . 6731 1 1014 . 1 1 83 83 ILE CG2 C 13 16.583 0.2 . 1 . . . . . . . . 6731 1 1015 . 1 1 83 83 ILE CG1 C 13 27.187 0.2 . 1 . . . . . . . . 6731 1 1016 . 1 1 83 83 ILE HG12 H 1 1.117 0.02 . 2 . . . . . . . . 6731 1 1017 . 1 1 83 83 ILE HG13 H 1 1.510 0.02 . 2 . . . . . . . . 6731 1 1018 . 1 1 83 83 ILE HD11 H 1 0.617 0.02 . 1 . . . . . . . . 6731 1 1019 . 1 1 83 83 ILE HD12 H 1 0.617 0.02 . 1 . . . . . . . . 6731 1 1020 . 1 1 83 83 ILE HD13 H 1 0.617 0.02 . 1 . . . . . . . . 6731 1 1021 . 1 1 83 83 ILE CD1 C 13 10.612 0.2 . 1 . . . . . . . . 6731 1 1022 . 1 1 83 83 ILE C C 13 175.197 0.2 . 1 . . . . . . . . 6731 1 1023 . 1 1 84 84 SER N N 15 122.299 0.15 . 1 . . . . . . . . 6731 1 1024 . 1 1 84 84 SER H H 1 8.833 0.02 . 1 . . . . . . . . 6731 1 1025 . 1 1 84 84 SER CA C 13 57.397 0.2 . 1 . . . . . . . . 6731 1 1026 . 1 1 84 84 SER HA H 1 5.735 0.02 . 1 . . . . . . . . 6731 1 1027 . 1 1 84 84 SER CB C 13 67.777 0.2 . 1 . . . . . . . . 6731 1 1028 . 1 1 84 84 SER HB2 H 1 3.202 0.02 . 2 . . . . . . . . 6731 1 1029 . 1 1 84 84 SER HB3 H 1 3.545 0.02 . 2 . . . . . . . . 6731 1 1030 . 1 1 84 84 SER C C 13 172.137 0.2 . 1 . . . . . . . . 6731 1 1031 . 1 1 85 85 THR N N 15 109.835 0.15 . 1 . . . . . . . . 6731 1 1032 . 1 1 85 85 THR H H 1 8.462 0.02 . 1 . . . . . . . . 6731 1 1033 . 1 1 85 85 THR CA C 13 59.360 0.2 . 1 . . . . . . . . 6731 1 1034 . 1 1 85 85 THR HA H 1 5.344 0.02 . 1 . . . . . . . . 6731 1 1035 . 1 1 85 85 THR CB C 13 70.942 0.2 . 1 . . . . . . . . 6731 1 1036 . 1 1 85 85 THR HB H 1 4.531 0.02 . 1 . . . . . . . . 6731 1 1037 . 1 1 85 85 THR HG21 H 1 1.430 0.02 . 1 . . . . . . . . 6731 1 1038 . 1 1 85 85 THR HG22 H 1 1.430 0.02 . 1 . . . . . . . . 6731 1 1039 . 1 1 85 85 THR HG23 H 1 1.430 0.02 . 1 . . . . . . . . 6731 1 1040 . 1 1 85 85 THR CG2 C 13 26.331 0.2 . 1 . . . . . . . . 6731 1 1041 . 1 1 85 85 THR C C 13 173.807 0.2 . 1 . . . . . . . . 6731 1 1042 . 1 1 86 86 PHE N N 15 117.644 0.15 . 1 . . . . . . . . 6731 1 1043 . 1 1 86 86 PHE H H 1 9.361 0.02 . 1 . . . . . . . . 6731 1 1044 . 1 1 86 86 PHE CA C 13 57.997 0.2 . 1 . . . . . . . . 6731 1 1045 . 1 1 86 86 PHE HA H 1 4.995 0.02 . 1 . . . . . . . . 6731 1 1046 . 1 1 86 86 PHE CB C 13 44.296 0.2 . 1 . . . . . . . . 6731 1 1047 . 1 1 86 86 PHE HB2 H 1 2.509 0.02 . 2 . . . . . . . . 6731 1 1048 . 1 1 86 86 PHE HB3 H 1 2.859 0.02 . 2 . . . . . . . . 6731 1 1049 . 1 1 86 86 PHE CD1 C 13 131.587 0.2 . 1 . . . . . . . . 6731 1 1050 . 1 1 86 86 PHE HD1 H 1 7.039 0.02 . 1 . . . . . . . . 6731 1 1051 . 1 1 86 86 PHE CD2 C 13 131.587 0.2 . 1 . . . . . . . . 6731 1 1052 . 1 1 86 86 PHE HD2 H 1 7.039 0.02 . 1 . . . . . . . . 6731 1 1053 . 1 1 86 86 PHE C C 13 175.427 0.2 . 1 . . . . . . . . 6731 1 1054 . 1 1 87 87 HIS N N 15 118.532 0.15 . 1 . . . . . . . . 6731 1 1055 . 1 1 87 87 HIS H H 1 8.793 0.02 . 1 . . . . . . . . 6731 1 1056 . 1 1 87 87 HIS CA C 13 54.880 0.2 . 1 . . . . . . . . 6731 1 1057 . 1 1 87 87 HIS HA H 1 4.937 0.02 . 1 . . . . . . . . 6731 1 1058 . 1 1 87 87 HIS CB C 13 29.775 0.2 . 1 . . . . . . . . 6731 1 1059 . 1 1 87 87 HIS HB2 H 1 2.967 0.02 . 2 . . . . . . . . 6731 1 1060 . 1 1 87 87 HIS HB3 H 1 3.140 0.02 . 2 . . . . . . . . 6731 1 1061 . 1 1 87 87 HIS C C 13 175.717 0.2 . 1 . . . . . . . . 6731 1 1062 . 1 1 88 88 GLY N N 15 114.310 0.15 . 1 . . . . . . . . 6731 1 1063 . 1 1 88 88 GLY H H 1 8.788 0.02 . 1 . . . . . . . . 6731 1 1064 . 1 1 88 88 GLY CA C 13 43.582 0.2 . 1 . . . . . . . . 6731 1 1065 . 1 1 88 88 GLY HA2 H 1 3.716 0.02 . 2 . . . . . . . . 6731 1 1066 . 1 1 88 88 GLY HA3 H 1 4.299 0.02 . 2 . . . . . . . . 6731 1 1067 . 1 1 88 88 GLY C C 13 170.727 0.2 . 1 . . . . . . . . 6731 1 1068 . 1 1 89 89 ARG N N 15 118.191 0.15 . 1 . . . . . . . . 6731 1 1069 . 1 1 89 89 ARG H H 1 7.692 0.02 . 1 . . . . . . . . 6731 1 1070 . 1 1 89 89 ARG CA C 13 54.646 0.2 . 1 . . . . . . . . 6731 1 1071 . 1 1 89 89 ARG HA H 1 2.576 0.02 . 1 . . . . . . . . 6731 1 1072 . 1 1 89 89 ARG CB C 13 29.165 0.2 . 1 . . . . . . . . 6731 1 1073 . 1 1 89 89 ARG HB2 H 1 1.209 0.02 . 2 . . . . . . . . 6731 1 1074 . 1 1 89 89 ARG HB3 H 1 1.291 0.02 . 2 . . . . . . . . 6731 1 1075 . 1 1 89 89 ARG CG C 13 27.490 0.2 . 1 . . . . . . . . 6731 1 1076 . 1 1 89 89 ARG HG2 H 1 0.985 0.02 . 2 . . . . . . . . 6731 1 1077 . 1 1 89 89 ARG HG3 H 1 1.180 0.02 . 2 . . . . . . . . 6731 1 1078 . 1 1 89 89 ARG CD C 13 43.411 0.2 . 1 . . . . . . . . 6731 1 1079 . 1 1 89 89 ARG HD2 H 1 2.957 0.02 . 2 . . . . . . . . 6731 1 1080 . 1 1 89 89 ARG HD3 H 1 2.990 0.02 . 2 . . . . . . . . 6731 1 1081 . 1 1 89 89 ARG C C 13 175.507 0.2 . 1 . . . . . . . . 6731 1 1082 . 1 1 90 90 PRO CD C 13 49.797 0.2 . 1 . . . . . . . . 6731 1 1083 . 1 1 90 90 PRO CA C 13 63.003 0.2 . 1 . . . . . . . . 6731 1 1084 . 1 1 90 90 PRO HA H 1 3.436 0.02 . 1 . . . . . . . . 6731 1 1085 . 1 1 90 90 PRO CB C 13 29.933 0.2 . 1 . . . . . . . . 6731 1 1086 . 1 1 90 90 PRO HB2 H 1 0.286 0.02 . 2 . . . . . . . . 6731 1 1087 . 1 1 90 90 PRO HB3 H 1 1.255 0.02 . 2 . . . . . . . . 6731 1 1088 . 1 1 90 90 PRO CG C 13 27.502 0.2 . 1 . . . . . . . . 6731 1 1089 . 1 1 90 90 PRO HG2 H 1 1.034 0.02 . 2 . . . . . . . . 6731 1 1090 . 1 1 90 90 PRO HG3 H 1 1.560 0.02 . 2 . . . . . . . . 6731 1 1091 . 1 1 90 90 PRO HD2 H 1 2.847 0.02 . 2 . . . . . . . . 6731 1 1092 . 1 1 90 90 PRO HD3 H 1 3.076 0.02 . 2 . . . . . . . . 6731 1 1093 . 1 1 90 90 PRO C C 13 175.277 0.2 . 1 . . . . . . . . 6731 1 1094 . 1 1 91 91 GLU N N 15 123.439 0.15 . 1 . . . . . . . . 6731 1 1095 . 1 1 91 91 GLU H H 1 8.081 0.02 . 1 . . . . . . . . 6731 1 1096 . 1 1 91 91 GLU CA C 13 54.026 0.2 . 1 . . . . . . . . 6731 1 1097 . 1 1 91 91 GLU HA H 1 4.571 0.02 . 1 . . . . . . . . 6731 1 1098 . 1 1 91 91 GLU CB C 13 30.101 0.2 . 1 . . . . . . . . 6731 1 1099 . 1 1 91 91 GLU HB2 H 1 1.708 0.02 . 2 . . . . . . . . 6731 1 1100 . 1 1 91 91 GLU HB3 H 1 2.091 0.02 . 2 . . . . . . . . 6731 1 1101 . 1 1 91 91 GLU CG C 13 35.911 0.2 . 1 . . . . . . . . 6731 1 1102 . 1 1 91 91 GLU HG2 H 1 2.058 0.02 . 2 . . . . . . . . 6731 1 1103 . 1 1 91 91 GLU HG3 H 1 2.070 0.02 . 2 . . . . . . . . 6731 1 1104 . 1 1 91 91 GLU C C 13 175.337 0.2 . 1 . . . . . . . . 6731 1 1105 . 1 1 92 92 PRO CD C 13 50.427 0.2 . 1 . . . . . . . . 6731 1 1106 . 1 1 92 92 PRO CA C 13 66.083 0.2 . 1 . . . . . . . . 6731 1 1107 . 1 1 92 92 PRO HA H 1 4.236 0.02 . 1 . . . . . . . . 6731 1 1108 . 1 1 92 92 PRO CB C 13 31.510 0.2 . 1 . . . . . . . . 6731 1 1109 . 1 1 92 92 PRO HB2 H 1 1.826 0.02 . 2 . . . . . . . . 6731 1 1110 . 1 1 92 92 PRO HB3 H 1 2.330 0.02 . 2 . . . . . . . . 6731 1 1111 . 1 1 92 92 PRO CG C 13 27.827 0.2 . 1 . . . . . . . . 6731 1 1112 . 1 1 92 92 PRO HG2 H 1 1.931 0.02 . 2 . . . . . . . . 6731 1 1113 . 1 1 92 92 PRO HG3 H 1 2.090 0.02 . 2 . . . . . . . . 6731 1 1114 . 1 1 92 92 PRO HD2 H 1 3.710 0.02 . 1 . . . . . . . . 6731 1 1115 . 1 1 92 92 PRO HD3 H 1 3.710 0.02 . 1 . . . . . . . . 6731 1 1116 . 1 1 92 92 PRO C C 13 177.377 0.2 . 1 . . . . . . . . 6731 1 1117 . 1 1 93 93 ALA N N 15 116.764 0.15 . 1 . . . . . . . . 6731 1 1118 . 1 1 93 93 ALA H H 1 8.148 0.02 . 1 . . . . . . . . 6731 1 1119 . 1 1 93 93 ALA CA C 13 52.157 0.2 . 1 . . . . . . . . 6731 1 1120 . 1 1 93 93 ALA HA H 1 4.361 0.02 . 1 . . . . . . . . 6731 1 1121 . 1 1 93 93 ALA HB1 H 1 1.388 0.02 . 1 . . . . . . . . 6731 1 1122 . 1 1 93 93 ALA HB2 H 1 1.388 0.02 . 1 . . . . . . . . 6731 1 1123 . 1 1 93 93 ALA HB3 H 1 1.388 0.02 . 1 . . . . . . . . 6731 1 1124 . 1 1 93 93 ALA CB C 13 18.505 0.2 . 1 . . . . . . . . 6731 1 1125 . 1 1 93 93 ALA C C 13 177.947 0.2 . 1 . . . . . . . . 6731 1 1126 . 1 1 94 94 SER N N 15 116.856 0.15 . 1 . . . . . . . . 6731 1 1127 . 1 1 94 94 SER H H 1 8.044 0.02 . 1 . . . . . . . . 6731 1 1128 . 1 1 94 94 SER CA C 13 60.242 0.2 . 1 . . . . . . . . 6731 1 1129 . 1 1 94 94 SER HA H 1 4.335 0.02 . 1 . . . . . . . . 6731 1 1130 . 1 1 94 94 SER CB C 13 63.717 0.2 . 1 . . . . . . . . 6731 1 1131 . 1 1 94 94 SER HB2 H 1 3.792 0.02 . 2 . . . . . . . . 6731 1 1132 . 1 1 94 94 SER HB3 H 1 4.010 0.02 . 2 . . . . . . . . 6731 1 1133 . 1 1 94 94 SER C C 13 173.627 0.2 . 1 . . . . . . . . 6731 1 1134 . 1 1 95 95 GLU N N 15 125.469 0.15 . 1 . . . . . . . . 6731 1 1135 . 1 1 95 95 GLU H H 1 8.806 0.02 . 1 . . . . . . . . 6731 1 1136 . 1 1 95 95 GLU CA C 13 53.237 0.2 . 1 . . . . . . . . 6731 1 1137 . 1 1 95 95 GLU HA H 1 4.806 0.02 . 1 . . . . . . . . 6731 1 1138 . 1 1 95 95 GLU CB C 13 30.555 0.2 . 1 . . . . . . . . 6731 1 1139 . 1 1 95 95 GLU HB2 H 1 1.924 0.02 . 2 . . . . . . . . 6731 1 1140 . 1 1 95 95 GLU HB3 H 1 1.992 0.02 . 2 . . . . . . . . 6731 1 1141 . 1 1 95 95 GLU CG C 13 35.818 0.2 . 1 . . . . . . . . 6731 1 1142 . 1 1 95 95 GLU HG2 H 1 2.247 0.02 . 2 . . . . . . . . 6731 1 1143 . 1 1 95 95 GLU HG3 H 1 2.304 0.02 . 2 . . . . . . . . 6731 1 1144 . 1 1 95 95 GLU C C 13 174.007 0.2 . 1 . . . . . . . . 6731 1 1145 . 1 1 96 96 PRO CD C 13 50.923 0.2 . 1 . . . . . . . . 6731 1 1146 . 1 1 96 96 PRO CA C 13 62.100 0.2 . 1 . . . . . . . . 6731 1 1147 . 1 1 96 96 PRO HA H 1 3.804 0.02 . 1 . . . . . . . . 6731 1 1148 . 1 1 96 96 PRO CB C 13 32.367 0.2 . 1 . . . . . . . . 6731 1 1149 . 1 1 96 96 PRO HB2 H 1 1.345 0.02 . 2 . . . . . . . . 6731 1 1150 . 1 1 96 96 PRO HB3 H 1 1.340 0.02 . 2 . . . . . . . . 6731 1 1151 . 1 1 96 96 PRO CG C 13 26.687 0.2 . 1 . . . . . . . . 6731 1 1152 . 1 1 96 96 PRO HG2 H 1 1.743 0.02 . 2 . . . . . . . . 6731 1 1153 . 1 1 96 96 PRO HG3 H 1 1.736 0.02 . 2 . . . . . . . . 6731 1 1154 . 1 1 96 96 PRO HD2 H 1 3.693 0.02 . 1 . . . . . . . . 6731 1 1155 . 1 1 96 96 PRO HD3 H 1 3.693 0.02 . 1 . . . . . . . . 6731 1 1156 . 1 1 96 96 PRO C C 13 176.937 0.2 . 1 . . . . . . . . 6731 1 1157 . 1 1 97 97 ILE N N 15 123.411 0.15 . 1 . . . . . . . . 6731 1 1158 . 1 1 97 97 ILE H H 1 8.732 0.02 . 1 . . . . . . . . 6731 1 1159 . 1 1 97 97 ILE CA C 13 63.147 0.2 . 1 . . . . . . . . 6731 1 1160 . 1 1 97 97 ILE HA H 1 3.632 0.02 . 1 . . . . . . . . 6731 1 1161 . 1 1 97 97 ILE CB C 13 36.566 0.2 . 1 . . . . . . . . 6731 1 1162 . 1 1 97 97 ILE HB H 1 1.850 0.02 . 1 . . . . . . . . 6731 1 1163 . 1 1 97 97 ILE HG21 H 1 0.575 0.02 . 1 . . . . . . . . 6731 1 1164 . 1 1 97 97 ILE HG22 H 1 0.575 0.02 . 1 . . . . . . . . 6731 1 1165 . 1 1 97 97 ILE HG23 H 1 0.575 0.02 . 1 . . . . . . . . 6731 1 1166 . 1 1 97 97 ILE CG2 C 13 17.312 0.2 . 1 . . . . . . . . 6731 1 1167 . 1 1 97 97 ILE CG1 C 13 27.407 0.2 . 1 . . . . . . . . 6731 1 1168 . 1 1 97 97 ILE HG12 H 1 0.738 0.02 . 2 . . . . . . . . 6731 1 1169 . 1 1 97 97 ILE HG13 H 1 0.988 0.02 . 2 . . . . . . . . 6731 1 1170 . 1 1 97 97 ILE HD11 H 1 0.072 0.02 . 1 . . . . . . . . 6731 1 1171 . 1 1 97 97 ILE HD12 H 1 0.072 0.02 . 1 . . . . . . . . 6731 1 1172 . 1 1 97 97 ILE HD13 H 1 0.072 0.02 . 1 . . . . . . . . 6731 1 1173 . 1 1 97 97 ILE CD1 C 13 11.655 0.2 . 1 . . . . . . . . 6731 1 1174 . 1 1 97 97 ILE C C 13 176.727 0.2 . 1 . . . . . . . . 6731 1 1175 . 1 1 98 98 GLN N N 15 115.134 0.15 . 1 . . . . . . . . 6731 1 1176 . 1 1 98 98 GLN H H 1 6.894 0.02 . 1 . . . . . . . . 6731 1 1177 . 1 1 98 98 GLN CA C 13 54.238 0.2 . 1 . . . . . . . . 6731 1 1178 . 1 1 98 98 GLN HA H 1 4.294 0.02 . 1 . . . . . . . . 6731 1 1179 . 1 1 98 98 GLN CB C 13 32.507 0.2 . 1 . . . . . . . . 6731 1 1180 . 1 1 98 98 GLN HB2 H 1 1.613 0.02 . 2 . . . . . . . . 6731 1 1181 . 1 1 98 98 GLN HB3 H 1 1.967 0.02 . 2 . . . . . . . . 6731 1 1182 . 1 1 98 98 GLN CG C 13 33.314 0.2 . 1 . . . . . . . . 6731 1 1183 . 1 1 98 98 GLN HG2 H 1 1.625 0.02 . 2 . . . . . . . . 6731 1 1184 . 1 1 98 98 GLN HG3 H 1 1.726 0.02 . 2 . . . . . . . . 6731 1 1185 . 1 1 98 98 GLN NE2 N 15 111.787 0.15 . 1 . . . . . . . . 6731 1 1186 . 1 1 98 98 GLN HE21 H 1 6.653 0.02 . 2 . . . . . . . . 6731 1 1187 . 1 1 98 98 GLN HE22 H 1 6.778 0.02 . 2 . . . . . . . . 6731 1 1188 . 1 1 98 98 GLN C C 13 172.977 0.2 . 1 . . . . . . . . 6731 1 1189 . 1 1 99 99 SER N N 15 120.289 0.15 . 1 . . . . . . . . 6731 1 1190 . 1 1 99 99 SER H H 1 8.383 0.02 . 1 . . . . . . . . 6731 1 1191 . 1 1 99 99 SER CA C 13 57.547 0.2 . 1 . . . . . . . . 6731 1 1192 . 1 1 99 99 SER HA H 1 5.068 0.02 . 1 . . . . . . . . 6731 1 1193 . 1 1 99 99 SER CB C 13 64.694 0.2 . 1 . . . . . . . . 6731 1 1194 . 1 1 99 99 SER HB2 H 1 3.390 0.02 . 2 . . . . . . . . 6731 1 1195 . 1 1 99 99 SER HB3 H 1 3.568 0.02 . 2 . . . . . . . . 6731 1 1196 . 1 1 99 99 SER C C 13 173.687 0.2 . 1 . . . . . . . . 6731 1 1197 . 1 1 100 100 PHE N N 15 122.176 0.15 . 1 . . . . . . . . 6731 1 1198 . 1 1 100 100 PHE H H 1 8.985 0.02 . 1 . . . . . . . . 6731 1 1199 . 1 1 100 100 PHE CA C 13 59.822 0.2 . 1 . . . . . . . . 6731 1 1200 . 1 1 100 100 PHE HA H 1 4.408 0.02 . 1 . . . . . . . . 6731 1 1201 . 1 1 100 100 PHE CB C 13 39.687 0.2 . 1 . . . . . . . . 6731 1 1202 . 1 1 100 100 PHE HB2 H 1 2.109 0.02 . 2 . . . . . . . . 6731 1 1203 . 1 1 100 100 PHE HB3 H 1 2.957 0.02 . 2 . . . . . . . . 6731 1 1204 . 1 1 100 100 PHE CD1 C 13 131.062 0.2 . 1 . . . . . . . . 6731 1 1205 . 1 1 100 100 PHE HD1 H 1 7.170 0.02 . 1 . . . . . . . . 6731 1 1206 . 1 1 100 100 PHE CE1 C 13 131.847 0.2 . 1 . . . . . . . . 6731 1 1207 . 1 1 100 100 PHE HE1 H 1 7.447 0.02 . 1 . . . . . . . . 6731 1 1208 . 1 1 100 100 PHE CE2 C 13 131.847 0.2 . 1 . . . . . . . . 6731 1 1209 . 1 1 100 100 PHE HE2 H 1 7.447 0.02 . 1 . . . . . . . . 6731 1 1210 . 1 1 100 100 PHE CD2 C 13 131.062 0.2 . 1 . . . . . . . . 6731 1 1211 . 1 1 100 100 PHE HD2 H 1 7.170 0.02 . 1 . . . . . . . . 6731 1 1212 . 1 1 100 100 PHE C C 13 174.187 0.2 . 1 . . . . . . . . 6731 1 1213 . 1 1 101 101 PHE N N 15 112.863 0.15 . 1 . . . . . . . . 6731 1 1214 . 1 1 101 101 PHE H H 1 6.440 0.02 . 1 . . . . . . . . 6731 1 1215 . 1 1 101 101 PHE CA C 13 54.991 0.2 . 1 . . . . . . . . 6731 1 1216 . 1 1 101 101 PHE HA H 1 4.841 0.02 . 1 . . . . . . . . 6731 1 1217 . 1 1 101 101 PHE CB C 13 39.757 0.2 . 1 . . . . . . . . 6731 1 1218 . 1 1 101 101 PHE HB2 H 1 3.234 0.02 . 2 . . . . . . . . 6731 1 1219 . 1 1 101 101 PHE HB3 H 1 3.449 0.02 . 2 . . . . . . . . 6731 1 1220 . 1 1 101 101 PHE CD1 C 13 132.912 0.2 . 1 . . . . . . . . 6731 1 1221 . 1 1 101 101 PHE HD1 H 1 7.064 0.02 . 1 . . . . . . . . 6731 1 1222 . 1 1 101 101 PHE CE1 C 13 130.987 0.2 . 1 . . . . . . . . 6731 1 1223 . 1 1 101 101 PHE HE1 H 1 7.170 0.02 . 1 . . . . . . . . 6731 1 1224 . 1 1 101 101 PHE CE2 C 13 130.987 0.2 . 1 . . . . . . . . 6731 1 1225 . 1 1 101 101 PHE HE2 H 1 7.170 0.02 . 1 . . . . . . . . 6731 1 1226 . 1 1 101 101 PHE CD2 C 13 132.912 0.2 . 1 . . . . . . . . 6731 1 1227 . 1 1 101 101 PHE HD2 H 1 7.064 0.02 . 1 . . . . . . . . 6731 1 1228 . 1 1 101 101 PHE C C 13 172.747 0.2 . 1 . . . . . . . . 6731 1 1229 . 1 1 102 102 GLN N N 15 121.161 0.15 . 1 . . . . . . . . 6731 1 1230 . 1 1 102 102 GLN H H 1 8.935 0.02 . 1 . . . . . . . . 6731 1 1231 . 1 1 102 102 GLN CA C 13 54.957 0.2 . 1 . . . . . . . . 6731 1 1232 . 1 1 102 102 GLN HA H 1 4.933 0.02 . 1 . . . . . . . . 6731 1 1233 . 1 1 102 102 GLN CB C 13 31.006 0.2 . 1 . . . . . . . . 6731 1 1234 . 1 1 102 102 GLN HB2 H 1 1.878 0.02 . 2 . . . . . . . . 6731 1 1235 . 1 1 102 102 GLN HB3 H 1 2.100 0.02 . 2 . . . . . . . . 6731 1 1236 . 1 1 102 102 GLN CG C 13 34.011 0.2 . 1 . . . . . . . . 6731 1 1237 . 1 1 102 102 GLN HG2 H 1 2.270 0.02 . 2 . . . . . . . . 6731 1 1238 . 1 1 102 102 GLN HG3 H 1 2.346 0.02 . 2 . . . . . . . . 6731 1 1239 . 1 1 102 102 GLN NE2 N 15 111.908 0.15 . 1 . . . . . . . . 6731 1 1240 . 1 1 102 102 GLN HE21 H 1 6.818 0.02 . 2 . . . . . . . . 6731 1 1241 . 1 1 102 102 GLN HE22 H 1 7.611 0.02 . 2 . . . . . . . . 6731 1 1242 . 1 1 102 102 GLN C C 13 175.797 0.2 . 1 . . . . . . . . 6731 1 1243 . 1 1 103 103 ILE N N 15 120.209 0.15 . 1 . . . . . . . . 6731 1 1244 . 1 1 103 103 ILE H H 1 8.970 0.02 . 1 . . . . . . . . 6731 1 1245 . 1 1 103 103 ILE CA C 13 59.304 0.2 . 1 . . . . . . . . 6731 1 1246 . 1 1 103 103 ILE HA H 1 4.797 0.02 . 1 . . . . . . . . 6731 1 1247 . 1 1 103 103 ILE CB C 13 42.172 0.2 . 1 . . . . . . . . 6731 1 1248 . 1 1 103 103 ILE HB H 1 1.719 0.02 . 1 . . . . . . . . 6731 1 1249 . 1 1 103 103 ILE HG21 H 1 1.011 0.02 . 1 . . . . . . . . 6731 1 1250 . 1 1 103 103 ILE HG22 H 1 1.011 0.02 . 1 . . . . . . . . 6731 1 1251 . 1 1 103 103 ILE HG23 H 1 1.011 0.02 . 1 . . . . . . . . 6731 1 1252 . 1 1 103 103 ILE CG2 C 13 19.407 0.2 . 1 . . . . . . . . 6731 1 1253 . 1 1 103 103 ILE CG1 C 13 25.816 0.2 . 1 . . . . . . . . 6731 1 1254 . 1 1 103 103 ILE HG12 H 1 1.117 0.02 . 2 . . . . . . . . 6731 1 1255 . 1 1 103 103 ILE HG13 H 1 1.245 0.02 . 2 . . . . . . . . 6731 1 1256 . 1 1 103 103 ILE HD11 H 1 0.731 0.02 . 1 . . . . . . . . 6731 1 1257 . 1 1 103 103 ILE HD12 H 1 0.731 0.02 . 1 . . . . . . . . 6731 1 1258 . 1 1 103 103 ILE HD13 H 1 0.731 0.02 . 1 . . . . . . . . 6731 1 1259 . 1 1 103 103 ILE CD1 C 13 15.976 0.2 . 1 . . . . . . . . 6731 1 1260 . 1 1 103 103 ILE C C 13 174.107 0.2 . 1 . . . . . . . . 6731 1 1261 . 1 1 104 104 ASP N N 15 119.781 0.15 . 1 . . . . . . . . 6731 1 1262 . 1 1 104 104 ASP H H 1 7.789 0.02 . 1 . . . . . . . . 6731 1 1263 . 1 1 104 104 ASP CA C 13 52.169 0.2 . 1 . . . . . . . . 6731 1 1264 . 1 1 104 104 ASP HA H 1 4.786 0.02 . 1 . . . . . . . . 6731 1 1265 . 1 1 104 104 ASP CB C 13 40.477 0.2 . 1 . . . . . . . . 6731 1 1266 . 1 1 104 104 ASP HB2 H 1 2.566 0.02 . 2 . . . . . . . . 6731 1 1267 . 1 1 104 104 ASP HB3 H 1 2.824 0.02 . 2 . . . . . . . . 6731 1 1268 . 1 1 104 104 ASP C C 13 176.717 0.2 . 1 . . . . . . . . 6731 1 1269 . 1 1 105 105 LEU N N 15 125.747 0.15 . 1 . . . . . . . . 6731 1 1270 . 1 1 105 105 LEU H H 1 8.452 0.02 . 1 . . . . . . . . 6731 1 1271 . 1 1 105 105 LEU CA C 13 57.892 0.2 . 1 . . . . . . . . 6731 1 1272 . 1 1 105 105 LEU HA H 1 3.714 0.02 . 1 . . . . . . . . 6731 1 1273 . 1 1 105 105 LEU CB C 13 42.537 0.2 . 1 . . . . . . . . 6731 1 1274 . 1 1 105 105 LEU HB2 H 1 1.510 0.02 . 2 . . . . . . . . 6731 1 1275 . 1 1 105 105 LEU HB3 H 1 1.635 0.02 . 2 . . . . . . . . 6731 1 1276 . 1 1 105 105 LEU CG C 13 27.612 0.2 . 1 . . . . . . . . 6731 1 1277 . 1 1 105 105 LEU HG H 1 1.626 0.02 . 1 . . . . . . . . 6731 1 1278 . 1 1 105 105 LEU HD11 H 1 0.804 0.02 . 2 . . . . . . . . 6731 1 1279 . 1 1 105 105 LEU HD12 H 1 0.804 0.02 . 2 . . . . . . . . 6731 1 1280 . 1 1 105 105 LEU HD13 H 1 0.804 0.02 . 2 . . . . . . . . 6731 1 1281 . 1 1 105 105 LEU HD21 H 1 0.877 0.02 . 2 . . . . . . . . 6731 1 1282 . 1 1 105 105 LEU HD22 H 1 0.877 0.02 . 2 . . . . . . . . 6731 1 1283 . 1 1 105 105 LEU HD23 H 1 0.877 0.02 . 2 . . . . . . . . 6731 1 1284 . 1 1 105 105 LEU CD1 C 13 24.617 0.2 . 2 . . . . . . . . 6731 1 1285 . 1 1 105 105 LEU CD2 C 13 25.261 0.2 . 2 . . . . . . . . 6731 1 1286 . 1 1 105 105 LEU C C 13 178.477 0.2 . 1 . . . . . . . . 6731 1 1287 . 1 1 106 106 GLU N N 15 114.266 0.15 . 1 . . . . . . . . 6731 1 1288 . 1 1 106 106 GLU H H 1 8.140 0.02 . 1 . . . . . . . . 6731 1 1289 . 1 1 106 106 GLU CA C 13 57.820 0.2 . 1 . . . . . . . . 6731 1 1290 . 1 1 106 106 GLU HA H 1 3.958 0.02 . 1 . . . . . . . . 6731 1 1291 . 1 1 106 106 GLU CB C 13 29.207 0.2 . 1 . . . . . . . . 6731 1 1292 . 1 1 106 106 GLU HB2 H 1 2.039 0.02 . 1 . . . . . . . . 6731 1 1293 . 1 1 106 106 GLU HB3 H 1 2.039 0.02 . 1 . . . . . . . . 6731 1 1294 . 1 1 106 106 GLU CG C 13 36.628 0.2 . 1 . . . . . . . . 6731 1 1295 . 1 1 106 106 GLU HG2 H 1 2.197 0.02 . 2 . . . . . . . . 6731 1 1296 . 1 1 106 106 GLU HG3 H 1 2.318 0.02 . 2 . . . . . . . . 6731 1 1297 . 1 1 106 106 GLU C C 13 177.657 0.2 . 1 . . . . . . . . 6731 1 1298 . 1 1 107 107 ARG N N 15 116.039 0.15 . 1 . . . . . . . . 6731 1 1299 . 1 1 107 107 ARG H H 1 7.530 0.02 . 1 . . . . . . . . 6731 1 1300 . 1 1 107 107 ARG CA C 13 56.387 0.2 . 1 . . . . . . . . 6731 1 1301 . 1 1 107 107 ARG HA H 1 4.194 0.02 . 1 . . . . . . . . 6731 1 1302 . 1 1 107 107 ARG CB C 13 31.337 0.2 . 1 . . . . . . . . 6731 1 1303 . 1 1 107 107 ARG HB2 H 1 1.860 0.02 . 2 . . . . . . . . 6731 1 1304 . 1 1 107 107 ARG HB3 H 1 2.131 0.02 . 2 . . . . . . . . 6731 1 1305 . 1 1 107 107 ARG CG C 13 27.975 0.2 . 1 . . . . . . . . 6731 1 1306 . 1 1 107 107 ARG HG2 H 1 1.666 0.02 . 2 . . . . . . . . 6731 1 1307 . 1 1 107 107 ARG HG3 H 1 1.752 0.02 . 2 . . . . . . . . 6731 1 1308 . 1 1 107 107 ARG CD C 13 43.790 0.2 . 1 . . . . . . . . 6731 1 1309 . 1 1 107 107 ARG HD2 H 1 3.291 0.02 . 1 . . . . . . . . 6731 1 1310 . 1 1 107 107 ARG HD3 H 1 3.291 0.02 . 1 . . . . . . . . 6731 1 1311 . 1 1 107 107 ARG NE N 15 84.494 0.15 . 1 . . . . . . . . 6731 1 1312 . 1 1 107 107 ARG HE H 1 7.481 0.02 . 1 . . . . . . . . 6731 1 1313 . 1 1 107 107 ARG C C 13 176.307 0.2 . 1 . . . . . . . . 6731 1 1314 . 1 1 108 108 LEU N N 15 119.229 0.15 . 1 . . . . . . . . 6731 1 1315 . 1 1 108 108 LEU H H 1 7.016 0.02 . 1 . . . . . . . . 6731 1 1316 . 1 1 108 108 LEU CA C 13 55.068 0.2 . 1 . . . . . . . . 6731 1 1317 . 1 1 108 108 LEU HA H 1 3.825 0.02 . 1 . . . . . . . . 6731 1 1318 . 1 1 108 108 LEU CB C 13 43.091 0.2 . 1 . . . . . . . . 6731 1 1319 . 1 1 108 108 LEU HB2 H 1 1.278 0.02 . 2 . . . . . . . . 6731 1 1320 . 1 1 108 108 LEU HB3 H 1 1.465 0.02 . 2 . . . . . . . . 6731 1 1321 . 1 1 108 108 LEU CG C 13 27.558 0.2 . 1 . . . . . . . . 6731 1 1322 . 1 1 108 108 LEU HG H 1 1.159 0.02 . 1 . . . . . . . . 6731 1 1323 . 1 1 108 108 LEU HD11 H 1 0.196 0.02 . 2 . . . . . . . . 6731 1 1324 . 1 1 108 108 LEU HD12 H 1 0.196 0.02 . 2 . . . . . . . . 6731 1 1325 . 1 1 108 108 LEU HD13 H 1 0.196 0.02 . 2 . . . . . . . . 6731 1 1326 . 1 1 108 108 LEU HD21 H 1 0.453 0.02 . 2 . . . . . . . . 6731 1 1327 . 1 1 108 108 LEU HD22 H 1 0.453 0.02 . 2 . . . . . . . . 6731 1 1328 . 1 1 108 108 LEU HD23 H 1 0.453 0.02 . 2 . . . . . . . . 6731 1 1329 . 1 1 108 108 LEU CD1 C 13 24.282 0.2 . 2 . . . . . . . . 6731 1 1330 . 1 1 108 108 LEU CD2 C 13 26.370 0.2 . 2 . . . . . . . . 6731 1 1331 . 1 1 108 108 LEU C C 13 176.877 0.2 . 1 . . . . . . . . 6731 1 1332 . 1 1 109 109 GLU N N 15 122.627 0.15 . 1 . . . . . . . . 6731 1 1333 . 1 1 109 109 GLU H H 1 8.486 0.02 . 1 . . . . . . . . 6731 1 1334 . 1 1 109 109 GLU CA C 13 57.184 0.2 . 1 . . . . . . . . 6731 1 1335 . 1 1 109 109 GLU HA H 1 4.168 0.02 . 1 . . . . . . . . 6731 1 1336 . 1 1 109 109 GLU CB C 13 30.163 0.2 . 1 . . . . . . . . 6731 1 1337 . 1 1 109 109 GLU HB2 H 1 1.776 0.02 . 2 . . . . . . . . 6731 1 1338 . 1 1 109 109 GLU HB3 H 1 2.198 0.02 . 2 . . . . . . . . 6731 1 1339 . 1 1 109 109 GLU CG C 13 36.690 0.2 . 1 . . . . . . . . 6731 1 1340 . 1 1 109 109 GLU HG2 H 1 2.476 0.02 . 2 . . . . . . . . 6731 1 1341 . 1 1 109 109 GLU HG3 H 1 2.521 0.02 . 2 . . . . . . . . 6731 1 1342 . 1 1 109 109 GLU C C 13 178.497 0.2 . 1 . . . . . . . . 6731 1 1343 . 1 1 110 110 SER N N 15 118.983 0.15 . 1 . . . . . . . . 6731 1 1344 . 1 1 110 110 SER H H 1 8.865 0.02 . 1 . . . . . . . . 6731 1 1345 . 1 1 110 110 SER CA C 13 57.150 0.2 . 1 . . . . . . . . 6731 1 1346 . 1 1 110 110 SER HA H 1 4.700 0.02 . 1 . . . . . . . . 6731 1 1347 . 1 1 110 110 SER CB C 13 62.668 0.2 . 1 . . . . . . . . 6731 1 1348 . 1 1 110 110 SER HB2 H 1 3.891 0.02 . 2 . . . . . . . . 6731 1 1349 . 1 1 111 111 HIS CA C 13 59.439 0.2 . 1 . . . . . . . . 6731 1 1350 . 1 1 111 111 HIS HA H 1 4.291 0.02 . 1 . . . . . . . . 6731 1 1351 . 1 1 111 111 HIS CB C 13 29.117 0.2 . 1 . . . . . . . . 6731 1 1352 . 1 1 111 111 HIS HB2 H 1 3.098 0.02 . 2 . . . . . . . . 6731 1 1353 . 1 1 111 111 HIS HB3 H 1 3.223 0.02 . 2 . . . . . . . . 6731 1 1354 . 1 1 111 111 HIS C C 13 177.357 0.2 . 1 . . . . . . . . 6731 1 1355 . 1 1 112 112 MET N N 15 120.217 0.15 . 1 . . . . . . . . 6731 1 1356 . 1 1 112 112 MET H H 1 6.948 0.02 . 1 . . . . . . . . 6731 1 1357 . 1 1 112 112 MET CA C 13 56.497 0.2 . 1 . . . . . . . . 6731 1 1358 . 1 1 112 112 MET HA H 1 4.306 0.02 . 1 . . . . . . . . 6731 1 1359 . 1 1 112 112 MET CB C 13 31.787 0.2 . 1 . . . . . . . . 6731 1 1360 . 1 1 112 112 MET HB2 H 1 2.360 0.02 . 2 . . . . . . . . 6731 1 1361 . 1 1 112 112 MET HB3 H 1 2.412 0.02 . 2 . . . . . . . . 6731 1 1362 . 1 1 112 112 MET CG C 13 31.727 0.2 . 1 . . . . . . . . 6731 1 1363 . 1 1 112 112 MET HG2 H 1 1.930 0.02 . 1 . . . . . . . . 6731 1 1364 . 1 1 112 112 MET HG3 H 1 1.930 0.02 . 1 . . . . . . . . 6731 1 1365 . 1 1 112 112 MET HE1 H 1 2.004 0.02 . 1 . . . . . . . . 6731 1 1366 . 1 1 112 112 MET HE2 H 1 2.004 0.02 . 1 . . . . . . . . 6731 1 1367 . 1 1 112 112 MET HE3 H 1 2.004 0.02 . 1 . . . . . . . . 6731 1 1368 . 1 1 112 112 MET CE C 13 16.758 0.2 . 1 . . . . . . . . 6731 1 1369 . 1 1 112 112 MET C C 13 177.937 0.2 . 1 . . . . . . . . 6731 1 1370 . 1 1 113 113 GLN N N 15 119.441 0.15 . 1 . . . . . . . . 6731 1 1371 . 1 1 113 113 GLN H H 1 8.234 0.02 . 1 . . . . . . . . 6731 1 1372 . 1 1 113 113 GLN CA C 13 60.031 0.2 . 1 . . . . . . . . 6731 1 1373 . 1 1 113 113 GLN HA H 1 3.602 0.02 . 1 . . . . . . . . 6731 1 1374 . 1 1 113 113 GLN CB C 13 28.614 0.2 . 1 . . . . . . . . 6731 1 1375 . 1 1 113 113 GLN HB2 H 1 2.002 0.02 . 2 . . . . . . . . 6731 1 1376 . 1 1 113 113 GLN HB3 H 1 2.069 0.02 . 2 . . . . . . . . 6731 1 1377 . 1 1 113 113 GLN CG C 13 34.413 0.2 . 1 . . . . . . . . 6731 1 1378 . 1 1 113 113 GLN HG2 H 1 2.063 0.02 . 2 . . . . . . . . 6731 1 1379 . 1 1 113 113 GLN HG3 H 1 2.224 0.02 . 2 . . . . . . . . 6731 1 1380 . 1 1 113 113 GLN NE2 N 15 111.803 0.15 . 1 . . . . . . . . 6731 1 1381 . 1 1 113 113 GLN HE21 H 1 6.767 0.02 . 2 . . . . . . . . 6731 1 1382 . 1 1 113 113 GLN HE22 H 1 7.152 0.02 . 2 . . . . . . . . 6731 1 1383 . 1 1 113 113 GLN C C 13 177.427 0.2 . 1 . . . . . . . . 6731 1 1384 . 1 1 114 114 LYS N N 15 115.810 0.15 . 1 . . . . . . . . 6731 1 1385 . 1 1 114 114 LYS H H 1 7.679 0.02 . 1 . . . . . . . . 6731 1 1386 . 1 1 114 114 LYS CA C 13 59.325 0.2 . 1 . . . . . . . . 6731 1 1387 . 1 1 114 114 LYS HA H 1 3.867 0.02 . 1 . . . . . . . . 6731 1 1388 . 1 1 114 114 LYS CB C 13 32.037 0.2 . 1 . . . . . . . . 6731 1 1389 . 1 1 114 114 LYS HB2 H 1 1.794 0.02 . 2 . . . . . . . . 6731 1 1390 . 1 1 114 114 LYS HB3 H 1 1.845 0.02 . 2 . . . . . . . . 6731 1 1391 . 1 1 114 114 LYS CG C 13 25.198 0.2 . 1 . . . . . . . . 6731 1 1392 . 1 1 114 114 LYS HG2 H 1 1.407 0.02 . 2 . . . . . . . . 6731 1 1393 . 1 1 114 114 LYS HG3 H 1 1.567 0.02 . 2 . . . . . . . . 6731 1 1394 . 1 1 114 114 LYS CD C 13 29.107 0.2 . 1 . . . . . . . . 6731 1 1395 . 1 1 114 114 LYS HD2 H 1 1.600 0.02 . 1 . . . . . . . . 6731 1 1396 . 1 1 114 114 LYS HD3 H 1 1.600 0.02 . 1 . . . . . . . . 6731 1 1397 . 1 1 114 114 LYS CE C 13 42.102 0.2 . 1 . . . . . . . . 6731 1 1398 . 1 1 114 114 LYS HE2 H 1 2.886 0.02 . 2 . . . . . . . . 6731 1 1399 . 1 1 114 114 LYS HE3 H 1 2.890 0.02 . 2 . . . . . . . . 6731 1 1400 . 1 1 114 114 LYS C C 13 179.287 0.2 . 1 . . . . . . . . 6731 1 1401 . 1 1 115 115 ASN N N 15 117.500 0.15 . 1 . . . . . . . . 6731 1 1402 . 1 1 115 115 ASN H H 1 7.747 0.02 . 1 . . . . . . . . 6731 1 1403 . 1 1 115 115 ASN CA C 13 55.723 0.2 . 1 . . . . . . . . 6731 1 1404 . 1 1 115 115 ASN HA H 1 4.408 0.02 . 1 . . . . . . . . 6731 1 1405 . 1 1 115 115 ASN CB C 13 37.849 0.2 . 1 . . . . . . . . 6731 1 1406 . 1 1 115 115 ASN HB2 H 1 2.697 0.02 . 2 . . . . . . . . 6731 1 1407 . 1 1 115 115 ASN HB3 H 1 2.861 0.02 . 2 . . . . . . . . 6731 1 1408 . 1 1 115 115 ASN ND2 N 15 111.123 0.15 . 1 . . . . . . . . 6731 1 1409 . 1 1 115 115 ASN HD21 H 1 6.910 0.02 . 2 . . . . . . . . 6731 1 1410 . 1 1 115 115 ASN C C 13 177.147 0.2 . 1 . . . . . . . . 6731 1 1411 . 1 1 116 116 LEU N N 15 120.505 0.15 . 1 . . . . . . . . 6731 1 1412 . 1 1 116 116 LEU H H 1 8.244 0.02 . 1 . . . . . . . . 6731 1 1413 . 1 1 116 116 LEU CA C 13 57.873 0.2 . 1 . . . . . . . . 6731 1 1414 . 1 1 116 116 LEU HA H 1 4.067 0.02 . 1 . . . . . . . . 6731 1 1415 . 1 1 116 116 LEU CB C 13 42.197 0.2 . 1 . . . . . . . . 6731 1 1416 . 1 1 116 116 LEU HB2 H 1 1.487 0.02 . 2 . . . . . . . . 6731 1 1417 . 1 1 116 116 LEU HB3 H 1 1.624 0.02 . 2 . . . . . . . . 6731 1 1418 . 1 1 116 116 LEU CG C 13 27.061 0.2 . 1 . . . . . . . . 6731 1 1419 . 1 1 116 116 LEU HG H 1 1.470 0.02 . 1 . . . . . . . . 6731 1 1420 . 1 1 116 116 LEU HD11 H 1 0.707 0.02 . 2 . . . . . . . . 6731 1 1421 . 1 1 116 116 LEU HD12 H 1 0.707 0.02 . 2 . . . . . . . . 6731 1 1422 . 1 1 116 116 LEU HD13 H 1 0.707 0.02 . 2 . . . . . . . . 6731 1 1423 . 1 1 116 116 LEU HD21 H 1 0.781 0.02 . 2 . . . . . . . . 6731 1 1424 . 1 1 116 116 LEU HD22 H 1 0.781 0.02 . 2 . . . . . . . . 6731 1 1425 . 1 1 116 116 LEU HD23 H 1 0.781 0.02 . 2 . . . . . . . . 6731 1 1426 . 1 1 116 116 LEU CD1 C 13 25.701 0.2 . 2 . . . . . . . . 6731 1 1427 . 1 1 116 116 LEU CD2 C 13 23.681 0.2 . 2 . . . . . . . . 6731 1 1428 . 1 1 116 116 LEU C C 13 178.477 0.2 . 1 . . . . . . . . 6731 1 1429 . 1 1 117 117 LEU N N 15 117.457 0.15 . 1 . . . . . . . . 6731 1 1430 . 1 1 117 117 LEU H H 1 7.857 0.02 . 1 . . . . . . . . 6731 1 1431 . 1 1 117 117 LEU CA C 13 57.594 0.2 . 1 . . . . . . . . 6731 1 1432 . 1 1 117 117 LEU HA H 1 3.990 0.02 . 1 . . . . . . . . 6731 1 1433 . 1 1 117 117 LEU CB C 13 41.826 0.2 . 1 . . . . . . . . 6731 1 1434 . 1 1 117 117 LEU HB2 H 1 1.426 0.02 . 2 . . . . . . . . 6731 1 1435 . 1 1 117 117 LEU HB3 H 1 1.750 0.02 . 2 . . . . . . . . 6731 1 1436 . 1 1 117 117 LEU CG C 13 27.426 0.2 . 1 . . . . . . . . 6731 1 1437 . 1 1 117 117 LEU HG H 1 1.655 0.02 . 1 . . . . . . . . 6731 1 1438 . 1 1 117 117 LEU HD11 H 1 0.756 0.02 . 2 . . . . . . . . 6731 1 1439 . 1 1 117 117 LEU HD12 H 1 0.756 0.02 . 2 . . . . . . . . 6731 1 1440 . 1 1 117 117 LEU HD13 H 1 0.756 0.02 . 2 . . . . . . . . 6731 1 1441 . 1 1 117 117 LEU HD21 H 1 0.781 0.02 . 2 . . . . . . . . 6731 1 1442 . 1 1 117 117 LEU HD22 H 1 0.781 0.02 . 2 . . . . . . . . 6731 1 1443 . 1 1 117 117 LEU HD23 H 1 0.781 0.02 . 2 . . . . . . . . 6731 1 1444 . 1 1 117 117 LEU CD1 C 13 22.976 0.2 . 2 . . . . . . . . 6731 1 1445 . 1 1 117 117 LEU CD2 C 13 25.181 0.2 . 2 . . . . . . . . 6731 1 1446 . 1 1 117 117 LEU C C 13 179.137 0.2 . 1 . . . . . . . . 6731 1 1447 . 1 1 118 118 LYS N N 15 115.922 0.15 . 1 . . . . . . . . 6731 1 1448 . 1 1 118 118 LYS H H 1 7.327 0.02 . 1 . . . . . . . . 6731 1 1449 . 1 1 118 118 LYS CA C 13 56.947 0.2 . 1 . . . . . . . . 6731 1 1450 . 1 1 118 118 LYS HA H 1 4.239 0.02 . 1 . . . . . . . . 6731 1 1451 . 1 1 118 118 LYS CB C 13 33.045 0.2 . 1 . . . . . . . . 6731 1 1452 . 1 1 118 118 LYS HB2 H 1 1.871 0.02 . 2 . . . . . . . . 6731 1 1453 . 1 1 118 118 LYS HB3 H 1 1.912 0.02 . 2 . . . . . . . . 6731 1 1454 . 1 1 118 118 LYS CG C 13 24.777 0.2 . 1 . . . . . . . . 6731 1 1455 . 1 1 118 118 LYS HG2 H 1 1.563 0.02 . 1 . . . . . . . . 6731 1 1456 . 1 1 118 118 LYS HG3 H 1 1.563 0.02 . 1 . . . . . . . . 6731 1 1457 . 1 1 118 118 LYS CD C 13 29.241 0.2 . 1 . . . . . . . . 6731 1 1458 . 1 1 118 118 LYS HD2 H 1 1.649 0.02 . 1 . . . . . . . . 6731 1 1459 . 1 1 118 118 LYS HD3 H 1 1.649 0.02 . 1 . . . . . . . . 6731 1 1460 . 1 1 118 118 LYS CE C 13 42.017 0.2 . 1 . . . . . . . . 6731 1 1461 . 1 1 118 118 LYS HE2 H 1 2.950 0.02 . 1 . . . . . . . . 6731 1 1462 . 1 1 118 118 LYS HE3 H 1 2.950 0.02 . 1 . . . . . . . . 6731 1 1463 . 1 1 118 118 LYS C C 13 176.817 0.2 . 1 . . . . . . . . 6731 1 1464 . 1 1 119 119 GLY N N 15 110.156 0.15 . 1 . . . . . . . . 6731 1 1465 . 1 1 119 119 GLY H H 1 7.693 0.02 . 1 . . . . . . . . 6731 1 1466 . 1 1 119 119 GLY CA C 13 43.797 0.2 . 1 . . . . . . . . 6731 1 1467 . 1 1 119 119 GLY HA2 H 1 4.032 0.02 . 2 . . . . . . . . 6731 1 1468 . 1 1 119 119 GLY HA3 H 1 4.130 0.02 . 2 . . . . . . . . 6731 1 1469 . 1 1 119 119 GLY C C 13 172.597 0.2 . 1 . . . . . . . . 6731 1 1470 . 1 1 120 120 ILE CA C 13 58.296 0.2 . 1 . . . . . . . . 6731 1 1471 . 1 1 120 120 ILE HA H 1 4.677 0.02 . 1 . . . . . . . . 6731 1 1472 . 1 1 120 120 ILE CB C 13 40.997 0.2 . 1 . . . . . . . . 6731 1 1473 . 1 1 120 120 ILE HB H 1 1.789 0.02 . 1 . . . . . . . . 6731 1 1474 . 1 1 120 120 ILE HG21 H 1 1.014 0.02 . 1 . . . . . . . . 6731 1 1475 . 1 1 120 120 ILE HG22 H 1 1.014 0.02 . 1 . . . . . . . . 6731 1 1476 . 1 1 120 120 ILE HG23 H 1 1.014 0.02 . 1 . . . . . . . . 6731 1 1477 . 1 1 120 120 ILE CG2 C 13 17.025 0.2 . 1 . . . . . . . . 6731 1 1478 . 1 1 120 120 ILE CG1 C 13 27.723 0.2 . 1 . . . . . . . . 6731 1 1479 . 1 1 120 120 ILE HG12 H 1 1.648 0.02 . 2 . . . . . . . . 6731 1 1480 . 1 1 120 120 ILE HG13 H 1 0.964 0.02 . 2 . . . . . . . . 6731 1 1481 . 1 1 120 120 ILE HD11 H 1 0.786 0.02 . 1 . . . . . . . . 6731 1 1482 . 1 1 120 120 ILE HD12 H 1 0.786 0.02 . 1 . . . . . . . . 6731 1 1483 . 1 1 120 120 ILE HD13 H 1 0.786 0.02 . 1 . . . . . . . . 6731 1 1484 . 1 1 120 120 ILE CD1 C 13 14.117 0.2 . 1 . . . . . . . . 6731 1 1485 . 1 1 121 121 PRO CD C 13 51.047 0.2 . 1 . . . . . . . . 6731 1 1486 . 1 1 121 121 PRO CA C 13 62.336 0.2 . 1 . . . . . . . . 6731 1 1487 . 1 1 121 121 PRO HA H 1 4.133 0.02 . 1 . . . . . . . . 6731 1 1488 . 1 1 121 121 PRO CB C 13 32.387 0.2 . 1 . . . . . . . . 6731 1 1489 . 1 1 121 121 PRO HB2 H 1 1.530 0.02 . 1 . . . . . . . . 6731 1 1490 . 1 1 121 121 PRO HB3 H 1 1.530 0.02 . 1 . . . . . . . . 6731 1 1491 . 1 1 121 121 PRO CG C 13 26.847 0.2 . 1 . . . . . . . . 6731 1 1492 . 1 1 121 121 PRO HG2 H 1 1.901 0.02 . 2 . . . . . . . . 6731 1 1493 . 1 1 121 121 PRO HG3 H 1 2.010 0.02 . 2 . . . . . . . . 6731 1 1494 . 1 1 121 121 PRO HD2 H 1 3.896 0.02 . 1 . . . . . . . . 6731 1 1495 . 1 1 121 121 PRO HD3 H 1 3.896 0.02 . 1 . . . . . . . . 6731 1 1496 . 1 1 121 121 PRO C C 13 175.487 0.2 . 1 . . . . . . . . 6731 1 1497 . 1 1 122 122 PHE N N 15 114.832 0.15 . 1 . . . . . . . . 6731 1 1498 . 1 1 122 122 PHE H H 1 7.281 0.02 . 1 . . . . . . . . 6731 1 1499 . 1 1 122 122 PHE CA C 13 57.228 0.2 . 1 . . . . . . . . 6731 1 1500 . 1 1 122 122 PHE HA H 1 4.885 0.02 . 1 . . . . . . . . 6731 1 1501 . 1 1 122 122 PHE CB C 13 41.687 0.2 . 1 . . . . . . . . 6731 1 1502 . 1 1 122 122 PHE HB2 H 1 2.897 0.02 . 1 . . . . . . . . 6731 1 1503 . 1 1 122 122 PHE HB3 H 1 2.897 0.02 . 1 . . . . . . . . 6731 1 1504 . 1 1 122 122 PHE C C 13 173.947 0.2 . 1 . . . . . . . . 6731 1 1505 . 1 1 123 123 ARG N N 15 116.233 0.15 . 1 . . . . . . . . 6731 1 1506 . 1 1 123 123 ARG H H 1 8.950 0.02 . 1 . . . . . . . . 6731 1 1507 . 1 1 123 123 ARG CA C 13 53.199 0.2 . 1 . . . . . . . . 6731 1 1508 . 1 1 123 123 ARG CB C 13 31.647 0.2 . 1 . . . . . . . . 6731 1 1509 . 1 1 123 123 ARG C C 13 175.687 0.2 . 1 . . . . . . . . 6731 1 1510 . 1 1 124 124 THR N N 15 107.319 0.15 . 1 . . . . . . . . 6731 1 1511 . 1 1 124 124 THR H H 1 7.616 0.02 . 1 . . . . . . . . 6731 1 1512 . 1 1 124 124 THR CA C 13 58.539 0.2 . 1 . . . . . . . . 6731 1 1513 . 1 1 124 124 THR HA H 1 4.692 0.02 . 1 . . . . . . . . 6731 1 1514 . 1 1 124 124 THR CB C 13 73.809 0.2 . 1 . . . . . . . . 6731 1 1515 . 1 1 124 124 THR HB H 1 4.598 0.02 . 1 . . . . . . . . 6731 1 1516 . 1 1 124 124 THR HG21 H 1 1.170 0.02 . 1 . . . . . . . . 6731 1 1517 . 1 1 124 124 THR HG22 H 1 1.170 0.02 . 1 . . . . . . . . 6731 1 1518 . 1 1 124 124 THR HG23 H 1 1.170 0.02 . 1 . . . . . . . . 6731 1 1519 . 1 1 124 124 THR CG2 C 13 22.022 0.2 . 1 . . . . . . . . 6731 1 1520 . 1 1 124 124 THR C C 13 174.717 0.2 . 1 . . . . . . . . 6731 1 1521 . 1 1 125 125 LYS N N 15 123.762 0.15 . 1 . . . . . . . . 6731 1 1522 . 1 1 125 125 LYS H H 1 9.822 0.02 . 1 . . . . . . . . 6731 1 1523 . 1 1 125 125 LYS CA C 13 60.431 0.2 . 1 . . . . . . . . 6731 1 1524 . 1 1 125 125 LYS HA H 1 3.984 0.02 . 1 . . . . . . . . 6731 1 1525 . 1 1 125 125 LYS CB C 13 32.690 0.2 . 1 . . . . . . . . 6731 1 1526 . 1 1 125 125 LYS HB2 H 1 1.901 0.02 . 2 . . . . . . . . 6731 1 1527 . 1 1 125 125 LYS HB3 H 1 2.151 0.02 . 2 . . . . . . . . 6731 1 1528 . 1 1 125 125 LYS CG C 13 24.797 0.2 . 1 . . . . . . . . 6731 1 1529 . 1 1 125 125 LYS HG2 H 1 1.262 0.02 . 2 . . . . . . . . 6731 1 1530 . 1 1 125 125 LYS HG3 H 1 1.272 0.02 . 2 . . . . . . . . 6731 1 1531 . 1 1 125 125 LYS CD C 13 30.197 0.2 . 1 . . . . . . . . 6731 1 1532 . 1 1 125 125 LYS HD2 H 1 1.596 0.02 . 1 . . . . . . . . 6731 1 1533 . 1 1 125 125 LYS HD3 H 1 1.596 0.02 . 1 . . . . . . . . 6731 1 1534 . 1 1 125 125 LYS CE C 13 42.159 0.2 . 1 . . . . . . . . 6731 1 1535 . 1 1 125 125 LYS HE2 H 1 2.860 0.02 . 2 . . . . . . . . 6731 1 1536 . 1 1 125 125 LYS HE3 H 1 2.859 0.02 . 2 . . . . . . . . 6731 1 1537 . 1 1 125 125 LYS C C 13 176.747 0.2 . 1 . . . . . . . . 6731 1 1538 . 1 1 126 126 ALA N N 15 120.388 0.15 . 1 . . . . . . . . 6731 1 1539 . 1 1 126 126 ALA H H 1 8.306 0.02 . 1 . . . . . . . . 6731 1 1540 . 1 1 126 126 ALA CA C 13 55.105 0.2 . 1 . . . . . . . . 6731 1 1541 . 1 1 126 126 ALA HA H 1 4.224 0.02 . 1 . . . . . . . . 6731 1 1542 . 1 1 126 126 ALA HB1 H 1 1.396 0.02 . 1 . . . . . . . . 6731 1 1543 . 1 1 126 126 ALA HB2 H 1 1.396 0.02 . 1 . . . . . . . . 6731 1 1544 . 1 1 126 126 ALA HB3 H 1 1.396 0.02 . 1 . . . . . . . . 6731 1 1545 . 1 1 126 126 ALA CB C 13 18.281 0.2 . 1 . . . . . . . . 6731 1 1546 . 1 1 126 126 ALA C C 13 180.287 0.2 . 1 . . . . . . . . 6731 1 1547 . 1 1 127 127 GLU N N 15 117.742 0.15 . 1 . . . . . . . . 6731 1 1548 . 1 1 127 127 GLU H H 1 7.925 0.02 . 1 . . . . . . . . 6731 1 1549 . 1 1 127 127 GLU CA C 13 59.218 0.2 . 1 . . . . . . . . 6731 1 1550 . 1 1 127 127 GLU HA H 1 4.101 0.02 . 1 . . . . . . . . 6731 1 1551 . 1 1 127 127 GLU CB C 13 31.527 0.2 . 1 . . . . . . . . 6731 1 1552 . 1 1 127 127 GLU HB2 H 1 2.210 0.02 . 2 . . . . . . . . 6731 1 1553 . 1 1 127 127 GLU HB3 H 1 2.228 0.02 . 2 . . . . . . . . 6731 1 1554 . 1 1 127 127 GLU CG C 13 36.947 0.2 . 1 . . . . . . . . 6731 1 1555 . 1 1 127 127 GLU HG2 H 1 2.345 0.02 . 2 . . . . . . . . 6731 1 1556 . 1 1 127 127 GLU HG3 H 1 2.469 0.02 . 2 . . . . . . . . 6731 1 1557 . 1 1 127 127 GLU C C 13 178.617 0.2 . 1 . . . . . . . . 6731 1 1558 . 1 1 128 128 PHE N N 15 118.954 0.15 . 1 . . . . . . . . 6731 1 1559 . 1 1 128 128 PHE H H 1 8.083 0.02 . 1 . . . . . . . . 6731 1 1560 . 1 1 128 128 PHE CA C 13 61.099 0.2 . 1 . . . . . . . . 6731 1 1561 . 1 1 128 128 PHE HA H 1 3.474 0.02 . 1 . . . . . . . . 6731 1 1562 . 1 1 128 128 PHE CB C 13 39.417 0.2 . 1 . . . . . . . . 6731 1 1563 . 1 1 128 128 PHE HB2 H 1 2.888 0.02 . 2 . . . . . . . . 6731 1 1564 . 1 1 128 128 PHE HB3 H 1 3.056 0.02 . 2 . . . . . . . . 6731 1 1565 . 1 1 128 128 PHE CD1 C 13 130.560 0.2 . 1 . . . . . . . . 6731 1 1566 . 1 1 128 128 PHE HD1 H 1 5.964 0.02 . 1 . . . . . . . . 6731 1 1567 . 1 1 128 128 PHE CE1 C 13 130.542 0.2 . 1 . . . . . . . . 6731 1 1568 . 1 1 128 128 PHE HE1 H 1 6.630 0.02 . 1 . . . . . . . . 6731 1 1569 . 1 1 128 128 PHE CE2 C 13 130.542 0.2 . 1 . . . . . . . . 6731 1 1570 . 1 1 128 128 PHE HE2 H 1 6.630 0.02 . 1 . . . . . . . . 6731 1 1571 . 1 1 128 128 PHE CD2 C 13 130.560 0.2 . 1 . . . . . . . . 6731 1 1572 . 1 1 128 128 PHE HD2 H 1 5.964 0.02 . 1 . . . . . . . . 6731 1 1573 . 1 1 128 128 PHE C C 13 175.457 0.2 . 1 . . . . . . . . 6731 1 1574 . 1 1 129 129 GLU N N 15 116.527 0.15 . 1 . . . . . . . . 6731 1 1575 . 1 1 129 129 GLU H H 1 8.624 0.02 . 1 . . . . . . . . 6731 1 1576 . 1 1 129 129 GLU CA C 13 59.492 0.2 . 1 . . . . . . . . 6731 1 1577 . 1 1 129 129 GLU HA H 1 3.426 0.02 . 1 . . . . . . . . 6731 1 1578 . 1 1 129 129 GLU CB C 13 29.517 0.2 . 1 . . . . . . . . 6731 1 1579 . 1 1 129 129 GLU HB2 H 1 1.896 0.02 . 2 . . . . . . . . 6731 1 1580 . 1 1 129 129 GLU HB3 H 1 2.045 0.02 . 2 . . . . . . . . 6731 1 1581 . 1 1 129 129 GLU CG C 13 37.490 0.2 . 1 . . . . . . . . 6731 1 1582 . 1 1 129 129 GLU HG2 H 1 2.170 0.02 . 2 . . . . . . . . 6731 1 1583 . 1 1 129 129 GLU HG3 H 1 2.616 0.02 . 2 . . . . . . . . 6731 1 1584 . 1 1 129 129 GLU C C 13 178.817 0.2 . 1 . . . . . . . . 6731 1 1585 . 1 1 130 130 ASP N N 15 118.336 0.15 . 1 . . . . . . . . 6731 1 1586 . 1 1 130 130 ASP H H 1 8.032 0.02 . 1 . . . . . . . . 6731 1 1587 . 1 1 130 130 ASP CA C 13 57.425 0.2 . 1 . . . . . . . . 6731 1 1588 . 1 1 130 130 ASP HA H 1 4.314 0.02 . 1 . . . . . . . . 6731 1 1589 . 1 1 130 130 ASP CB C 13 41.384 0.2 . 1 . . . . . . . . 6731 1 1590 . 1 1 130 130 ASP HB2 H 1 2.635 0.02 . 2 . . . . . . . . 6731 1 1591 . 1 1 130 130 ASP HB3 H 1 2.784 0.02 . 2 . . . . . . . . 6731 1 1592 . 1 1 130 130 ASP C C 13 179.267 0.2 . 1 . . . . . . . . 6731 1 1593 . 1 1 131 131 VAL N N 15 119.695 0.15 . 1 . . . . . . . . 6731 1 1594 . 1 1 131 131 VAL H H 1 7.732 0.02 . 1 . . . . . . . . 6731 1 1595 . 1 1 131 131 VAL CA C 13 66.473 0.2 . 1 . . . . . . . . 6731 1 1596 . 1 1 131 131 VAL HA H 1 3.742 0.02 . 1 . . . . . . . . 6731 1 1597 . 1 1 131 131 VAL CB C 13 31.638 0.2 . 1 . . . . . . . . 6731 1 1598 . 1 1 131 131 VAL HB H 1 1.836 0.02 . 1 . . . . . . . . 6731 1 1599 . 1 1 131 131 VAL HG11 H 1 0.806 0.02 . 2 . . . . . . . . 6731 1 1600 . 1 1 131 131 VAL HG12 H 1 0.806 0.02 . 2 . . . . . . . . 6731 1 1601 . 1 1 131 131 VAL HG13 H 1 0.806 0.02 . 2 . . . . . . . . 6731 1 1602 . 1 1 131 131 VAL HG21 H 1 1.063 0.02 . 2 . . . . . . . . 6731 1 1603 . 1 1 131 131 VAL HG22 H 1 1.063 0.02 . 2 . . . . . . . . 6731 1 1604 . 1 1 131 131 VAL HG23 H 1 1.063 0.02 . 2 . . . . . . . . 6731 1 1605 . 1 1 131 131 VAL CG1 C 13 22.753 0.2 . 2 . . . . . . . . 6731 1 1606 . 1 1 131 131 VAL CG2 C 13 22.545 0.2 . 2 . . . . . . . . 6731 1 1607 . 1 1 131 131 VAL C C 13 178.327 0.2 . 1 . . . . . . . . 6731 1 1608 . 1 1 132 132 ILE N N 15 120.238 0.15 . 1 . . . . . . . . 6731 1 1609 . 1 1 132 132 ILE H H 1 7.876 0.02 . 1 . . . . . . . . 6731 1 1610 . 1 1 132 132 ILE CA C 13 62.716 0.2 . 1 . . . . . . . . 6731 1 1611 . 1 1 132 132 ILE HA H 1 3.423 0.02 . 1 . . . . . . . . 6731 1 1612 . 1 1 132 132 ILE CB C 13 35.088 0.2 . 1 . . . . . . . . 6731 1 1613 . 1 1 132 132 ILE HB H 1 1.438 0.02 . 1 . . . . . . . . 6731 1 1614 . 1 1 132 132 ILE HG21 H 1 0.613 0.02 . 1 . . . . . . . . 6731 1 1615 . 1 1 132 132 ILE HG22 H 1 0.613 0.02 . 1 . . . . . . . . 6731 1 1616 . 1 1 132 132 ILE HG23 H 1 0.613 0.02 . 1 . . . . . . . . 6731 1 1617 . 1 1 132 132 ILE CG2 C 13 17.199 0.2 . 1 . . . . . . . . 6731 1 1618 . 1 1 132 132 ILE CG1 C 13 26.264 0.2 . 1 . . . . . . . . 6731 1 1619 . 1 1 132 132 ILE HG12 H 1 0.078 0.02 . 2 . . . . . . . . 6731 1 1620 . 1 1 132 132 ILE HG13 H 1 0.523 0.02 . 2 . . . . . . . . 6731 1 1621 . 1 1 132 132 ILE HD11 H 1 -0.238 0.02 . 1 . . . . . . . . 6731 1 1622 . 1 1 132 132 ILE HD12 H 1 -0.238 0.02 . 1 . . . . . . . . 6731 1 1623 . 1 1 132 132 ILE HD13 H 1 -0.238 0.02 . 1 . . . . . . . . 6731 1 1624 . 1 1 132 132 ILE CD1 C 13 8.171 0.2 . 1 . . . . . . . . 6731 1 1625 . 1 1 132 132 ILE C C 13 178.047 0.2 . 1 . . . . . . . . 6731 1 1626 . 1 1 133 133 GLU N N 15 117.922 0.15 . 1 . . . . . . . . 6731 1 1627 . 1 1 133 133 GLU H H 1 8.289 0.02 . 1 . . . . . . . . 6731 1 1628 . 1 1 133 133 GLU CA C 13 59.181 0.2 . 1 . . . . . . . . 6731 1 1629 . 1 1 133 133 GLU HA H 1 3.808 0.02 . 1 . . . . . . . . 6731 1 1630 . 1 1 133 133 GLU CB C 13 29.003 0.2 . 1 . . . . . . . . 6731 1 1631 . 1 1 133 133 GLU HB2 H 1 1.935 0.02 . 2 . . . . . . . . 6731 1 1632 . 1 1 133 133 GLU HB3 H 1 2.045 0.02 . 2 . . . . . . . . 6731 1 1633 . 1 1 133 133 GLU CG C 13 36.073 0.2 . 1 . . . . . . . . 6731 1 1634 . 1 1 133 133 GLU HG2 H 1 2.200 0.02 . 2 . . . . . . . . 6731 1 1635 . 1 1 133 133 GLU HG3 H 1 2.232 0.02 . 2 . . . . . . . . 6731 1 1636 . 1 1 133 133 GLU C C 13 179.597 0.2 . 1 . . . . . . . . 6731 1 1637 . 1 1 134 134 HIS N N 15 117.236 0.15 . 1 . . . . . . . . 6731 1 1638 . 1 1 134 134 HIS H H 1 7.747 0.02 . 1 . . . . . . . . 6731 1 1639 . 1 1 134 134 HIS CA C 13 59.123 0.2 . 1 . . . . . . . . 6731 1 1640 . 1 1 134 134 HIS HA H 1 4.367 0.02 . 1 . . . . . . . . 6731 1 1641 . 1 1 134 134 HIS CB C 13 29.299 0.2 . 1 . . . . . . . . 6731 1 1642 . 1 1 134 134 HIS HB2 H 1 3.306 0.02 . 2 . . . . . . . . 6731 1 1643 . 1 1 134 134 HIS HB3 H 1 3.359 0.02 . 2 . . . . . . . . 6731 1 1644 . 1 1 134 134 HIS CD2 C 13 120.738 0.2 . 1 . . . . . . . . 6731 1 1645 . 1 1 134 134 HIS HD2 H 1 7.096 0.02 . 1 . . . . . . . . 6731 1 1646 . 1 1 134 134 HIS C C 13 178.357 0.2 . 1 . . . . . . . . 6731 1 1647 . 1 1 135 135 MET N N 15 117.618 0.15 . 1 . . . . . . . . 6731 1 1648 . 1 1 135 135 MET H H 1 8.618 0.02 . 1 . . . . . . . . 6731 1 1649 . 1 1 135 135 MET CA C 13 56.536 0.2 . 1 . . . . . . . . 6731 1 1650 . 1 1 135 135 MET HA H 1 4.664 0.02 . 1 . . . . . . . . 6731 1 1651 . 1 1 135 135 MET CB C 13 32.040 0.2 . 1 . . . . . . . . 6731 1 1652 . 1 1 135 135 MET CG C 13 33.148 0.2 . 1 . . . . . . . . 6731 1 1653 . 1 1 135 135 MET HG2 H 1 2.577 0.02 . 2 . . . . . . . . 6731 1 1654 . 1 1 135 135 MET HG3 H 1 2.918 0.02 . 2 . . . . . . . . 6731 1 1655 . 1 1 135 135 MET HE1 H 1 1.915 0.02 . 1 . . . . . . . . 6731 1 1656 . 1 1 135 135 MET HE2 H 1 1.915 0.02 . 1 . . . . . . . . 6731 1 1657 . 1 1 135 135 MET HE3 H 1 1.915 0.02 . 1 . . . . . . . . 6731 1 1658 . 1 1 135 135 MET CE C 13 19.126 0.2 . 1 . . . . . . . . 6731 1 1659 . 1 1 135 135 MET C C 13 178.157 0.2 . 1 . . . . . . . . 6731 1 1660 . 1 1 136 136 LYS N N 15 119.228 0.15 . 1 . . . . . . . . 6731 1 1661 . 1 1 136 136 LYS H H 1 8.113 0.02 . 1 . . . . . . . . 6731 1 1662 . 1 1 136 136 LYS CA C 13 59.152 0.2 . 1 . . . . . . . . 6731 1 1663 . 1 1 136 136 LYS HA H 1 3.339 0.02 . 1 . . . . . . . . 6731 1 1664 . 1 1 136 136 LYS CB C 13 32.237 0.2 . 1 . . . . . . . . 6731 1 1665 . 1 1 136 136 LYS HB2 H 1 1.598 0.02 . 1 . . . . . . . . 6731 1 1666 . 1 1 136 136 LYS HB3 H 1 1.598 0.02 . 1 . . . . . . . . 6731 1 1667 . 1 1 136 136 LYS CG C 13 25.617 0.2 . 1 . . . . . . . . 6731 1 1668 . 1 1 136 136 LYS HG2 H 1 0.781 0.02 . 2 . . . . . . . . 6731 1 1669 . 1 1 136 136 LYS HG3 H 1 1.052 0.02 . 2 . . . . . . . . 6731 1 1670 . 1 1 136 136 LYS CD C 13 29.367 0.2 . 1 . . . . . . . . 6731 1 1671 . 1 1 136 136 LYS HD2 H 1 1.282 0.02 . 1 . . . . . . . . 6731 1 1672 . 1 1 136 136 LYS HD3 H 1 1.282 0.02 . 1 . . . . . . . . 6731 1 1673 . 1 1 136 136 LYS CE C 13 41.844 0.2 . 1 . . . . . . . . 6731 1 1674 . 1 1 136 136 LYS HE2 H 1 2.544 0.02 . 2 . . . . . . . . 6731 1 1675 . 1 1 136 136 LYS HE3 H 1 2.616 0.02 . 2 . . . . . . . . 6731 1 1676 . 1 1 136 136 LYS C C 13 179.137 0.2 . 1 . . . . . . . . 6731 1 1677 . 1 1 137 137 THR N N 15 111.792 0.15 . 1 . . . . . . . . 6731 1 1678 . 1 1 137 137 THR H H 1 7.337 0.02 . 1 . . . . . . . . 6731 1 1679 . 1 1 137 137 THR CA C 13 64.528 0.2 . 1 . . . . . . . . 6731 1 1680 . 1 1 137 137 THR HA H 1 3.907 0.02 . 1 . . . . . . . . 6731 1 1681 . 1 1 137 137 THR CB C 13 69.059 0.2 . 1 . . . . . . . . 6731 1 1682 . 1 1 137 137 THR HB H 1 3.766 0.02 . 1 . . . . . . . . 6731 1 1683 . 1 1 137 137 THR HG21 H 1 0.995 0.02 . 1 . . . . . . . . 6731 1 1684 . 1 1 137 137 THR HG22 H 1 0.995 0.02 . 1 . . . . . . . . 6731 1 1685 . 1 1 137 137 THR HG23 H 1 0.995 0.02 . 1 . . . . . . . . 6731 1 1686 . 1 1 137 137 THR CG2 C 13 21.091 0.2 . 1 . . . . . . . . 6731 1 1687 . 1 1 137 137 THR C C 13 174.827 0.2 . 1 . . . . . . . . 6731 1 1688 . 1 1 138 138 TYR N N 15 119.086 0.15 . 1 . . . . . . . . 6731 1 1689 . 1 1 138 138 TYR H H 1 7.514 0.02 . 1 . . . . . . . . 6731 1 1690 . 1 1 138 138 TYR CA C 13 57.656 0.2 . 1 . . . . . . . . 6731 1 1691 . 1 1 138 138 TYR HA H 1 4.576 0.02 . 1 . . . . . . . . 6731 1 1692 . 1 1 138 138 TYR CB C 13 37.987 0.2 . 1 . . . . . . . . 6731 1 1693 . 1 1 138 138 TYR HB2 H 1 2.767 0.02 . 2 . . . . . . . . 6731 1 1694 . 1 1 138 138 TYR HB3 H 1 3.361 0.02 . 2 . . . . . . . . 6731 1 1695 . 1 1 138 138 TYR CD1 C 13 133.242 0.2 . 1 . . . . . . . . 6731 1 1696 . 1 1 138 138 TYR HD1 H 1 7.011 0.02 . 1 . . . . . . . . 6731 1 1697 . 1 1 138 138 TYR CE1 C 13 118.590 0.2 . 1 . . . . . . . . 6731 1 1698 . 1 1 138 138 TYR HE1 H 1 6.623 0.02 . 1 . . . . . . . . 6731 1 1699 . 1 1 138 138 TYR CE2 C 13 118.590 0.2 . 1 . . . . . . . . 6731 1 1700 . 1 1 138 138 TYR HE2 H 1 6.623 0.02 . 1 . . . . . . . . 6731 1 1701 . 1 1 138 138 TYR CD2 C 13 133.242 0.2 . 1 . . . . . . . . 6731 1 1702 . 1 1 138 138 TYR HD2 H 1 7.011 0.02 . 1 . . . . . . . . 6731 1 1703 . 1 1 138 138 TYR C C 13 174.897 0.2 . 1 . . . . . . . . 6731 1 1704 . 1 1 139 139 SER N N 15 115.674 0.15 . 1 . . . . . . . . 6731 1 1705 . 1 1 139 139 SER H H 1 7.549 0.02 . 1 . . . . . . . . 6731 1 1706 . 1 1 139 139 SER CA C 13 58.282 0.2 . 1 . . . . . . . . 6731 1 1707 . 1 1 139 139 SER HA H 1 4.748 0.02 . 1 . . . . . . . . 6731 1 1708 . 1 1 139 139 SER CB C 13 65.127 0.2 . 1 . . . . . . . . 6731 1 1709 . 1 1 139 139 SER HB2 H 1 3.720 0.02 . 2 . . . . . . . . 6731 1 1710 . 1 1 139 139 SER HB3 H 1 3.859 0.02 . 2 . . . . . . . . 6731 1 1711 . 1 1 139 139 SER C C 13 173.807 0.2 . 1 . . . . . . . . 6731 1 1712 . 1 1 140 140 GLY N N 15 117.465 0.15 . 1 . . . . . . . . 6731 1 1713 . 1 1 140 140 GLY H H 1 8.153 0.02 . 1 . . . . . . . . 6731 1 1714 . 1 1 140 140 GLY CA C 13 46.320 0.2 . 1 . . . . . . . . 6731 1 1715 . 1 1 140 140 GLY C C 13 178.967 0.2 . 1 . . . . . . . . 6731 1 stop_ save_