data_19152 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19152 _Entry.Title ; holo_YqcA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-09 _Entry.Accession_date 2013-04-09 _Entry.Last_release_date 2013-08-15 _Entry.Original_release_date 2013-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Changwen Jin . . . 19152 2 Yunfei Hu . . . 19152 3 Qian Ye . . . 19152 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19152 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha/beta/alpha sandwich fold' . 19152 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19152 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 627 19152 '15N chemical shifts' 158 19152 '1H chemical shifts' 979 19152 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 . . 2013-08-15 2013-04-09 original author . 19152 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19151 'apo YqcA' 19152 PDB 2M6S 'BMRB Entry Tracking System' 19152 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 19152 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23749454 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the apo and holo states of flavodoxin YqcA from Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Qian Ye . . . 19152 1 2 Yunfei Hu . . . 19152 1 3 Changwen Jin . . . 19152 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19152 _Assembly.ID 1 _Assembly.Name 'holo YqcA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'holo YqcA' 1 $holo_YqcA A . yes native no no . . . 19152 1 2 'FLAVIN MONONUCLEOTIDE' 2 $entity_FMN B . no native no no . . . 19152 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_holo_YqcA _Entity.Sf_category entity _Entity.Sf_framecode holo_YqcA _Entity.Entry_ID 19152 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name holo_YqcA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAEIGIFVGTMYGNSLLVAE EAEAILTAQGHKATVFEDPE LSDWLPYQDKYVLVVTSTTG QGDLPDSIVPLFQGIKDSLG FQPNLRYGVIALGDSSYVNF CNGGKQFDALLQEQSAQRVG EMLLIDASENPEPETESNPW VEQWGTLLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16281.191 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18154 . entity . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 2 no BMRB 19151 . entity . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 19152 1 3 no BMRB 25013 . YqcA . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 4 no BMRB 25014 . YqcA . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 5 no PDB 2M6R . Apo_yqca . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 19152 1 6 no PDB 2M6S . Holo_yqca . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 19152 1 7 no DBJ BAB37073 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 8 no DBJ BAE76862 . "predicted flavoprotein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 9 no DBJ BAG78574 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 149 99.33 100.00 2.22e-102 . . . . 19152 1 10 no DBJ BAI27051 . "predicted flavoprotein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 149 99.33 100.00 2.22e-102 . . . . 19152 1 11 no DBJ BAI32080 . "predicted flavoprotein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 12 no EMBL CAP77223 . "Uncharacterized protein yqcA [Escherichia coli LF82]" . . . . . 100.00 149 97.32 98.66 1.48e-101 . . . . 19152 1 13 no EMBL CAQ33114 . "predicted flavoprotein [Escherichia coli BL21(DE3)]" . . . . . 100.00 149 99.33 99.33 1.58e-102 . . . . 19152 1 14 no EMBL CAQ99718 . "putative flavoprotein [Escherichia coli IAI1]" . . . . . 100.00 149 99.33 100.00 2.22e-102 . . . . 19152 1 15 no EMBL CAR04300 . "putative flavoprotein [Escherichia coli S88]" . . . . . 100.00 149 98.66 99.33 2.47e-102 . . . . 19152 1 16 no EMBL CAR09403 . "putative flavoprotein [Escherichia coli ED1a]" . . . . . 100.00 149 98.66 99.33 2.47e-102 . . . . 19152 1 17 no GB AAB40440 . "corresponds to hypothetical protein from E. carotovora PIR Accession Number S45107; ORF_f150 [Escherichia coli str. K-12 substr" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 18 no GB AAC75832 . "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 19 no GB AAG57904 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 20 no GB AAN44291 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 21 no GB AAN81803 . "Hypothetical protein yqcA [Escherichia coli CFT073]" . . . . . 100.00 149 98.66 99.33 2.47e-102 . . . . 19152 1 22 no REF NP_311677 . "flavodoxin [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 23 no REF NP_417270 . "short-chain flavodoxin, FMN-binding [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 24 no REF NP_708584 . "flavodoxin [Shigella flexneri 2a str. 301]" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 25 no REF WP_000229279 . "flavodoxin [Escherichia coli]" . . . . . 100.00 149 97.32 97.99 8.90e-101 . . . . 19152 1 26 no REF WP_000807726 . "flavodoxin [Escherichia coli]" . . . . . 100.00 149 99.33 100.00 1.45e-102 . . . . 19152 1 27 no SP P65367 . "RecName: Full=Uncharacterized protein YqcA" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 28 no SP P65368 . "RecName: Full=Uncharacterized protein YqcA" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 29 no SP P65369 . "RecName: Full=Uncharacterized protein YqcA" . . . . . 100.00 149 100.00 100.00 4.08e-103 . . . . 19152 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19152 1 2 2 ALA . 19152 1 3 3 GLU . 19152 1 4 4 ILE . 19152 1 5 5 GLY . 19152 1 6 6 ILE . 19152 1 7 7 PHE . 19152 1 8 8 VAL . 19152 1 9 9 GLY . 19152 1 10 10 THR . 19152 1 11 11 MET . 19152 1 12 12 TYR . 19152 1 13 13 GLY . 19152 1 14 14 ASN . 19152 1 15 15 SER . 19152 1 16 16 LEU . 19152 1 17 17 LEU . 19152 1 18 18 VAL . 19152 1 19 19 ALA . 19152 1 20 20 GLU . 19152 1 21 21 GLU . 19152 1 22 22 ALA . 19152 1 23 23 GLU . 19152 1 24 24 ALA . 19152 1 25 25 ILE . 19152 1 26 26 LEU . 19152 1 27 27 THR . 19152 1 28 28 ALA . 19152 1 29 29 GLN . 19152 1 30 30 GLY . 19152 1 31 31 HIS . 19152 1 32 32 LYS . 19152 1 33 33 ALA . 19152 1 34 34 THR . 19152 1 35 35 VAL . 19152 1 36 36 PHE . 19152 1 37 37 GLU . 19152 1 38 38 ASP . 19152 1 39 39 PRO . 19152 1 40 40 GLU . 19152 1 41 41 LEU . 19152 1 42 42 SER . 19152 1 43 43 ASP . 19152 1 44 44 TRP . 19152 1 45 45 LEU . 19152 1 46 46 PRO . 19152 1 47 47 TYR . 19152 1 48 48 GLN . 19152 1 49 49 ASP . 19152 1 50 50 LYS . 19152 1 51 51 TYR . 19152 1 52 52 VAL . 19152 1 53 53 LEU . 19152 1 54 54 VAL . 19152 1 55 55 VAL . 19152 1 56 56 THR . 19152 1 57 57 SER . 19152 1 58 58 THR . 19152 1 59 59 THR . 19152 1 60 60 GLY . 19152 1 61 61 GLN . 19152 1 62 62 GLY . 19152 1 63 63 ASP . 19152 1 64 64 LEU . 19152 1 65 65 PRO . 19152 1 66 66 ASP . 19152 1 67 67 SER . 19152 1 68 68 ILE . 19152 1 69 69 VAL . 19152 1 70 70 PRO . 19152 1 71 71 LEU . 19152 1 72 72 PHE . 19152 1 73 73 GLN . 19152 1 74 74 GLY . 19152 1 75 75 ILE . 19152 1 76 76 LYS . 19152 1 77 77 ASP . 19152 1 78 78 SER . 19152 1 79 79 LEU . 19152 1 80 80 GLY . 19152 1 81 81 PHE . 19152 1 82 82 GLN . 19152 1 83 83 PRO . 19152 1 84 84 ASN . 19152 1 85 85 LEU . 19152 1 86 86 ARG . 19152 1 87 87 TYR . 19152 1 88 88 GLY . 19152 1 89 89 VAL . 19152 1 90 90 ILE . 19152 1 91 91 ALA . 19152 1 92 92 LEU . 19152 1 93 93 GLY . 19152 1 94 94 ASP . 19152 1 95 95 SER . 19152 1 96 96 SER . 19152 1 97 97 TYR . 19152 1 98 98 VAL . 19152 1 99 99 ASN . 19152 1 100 100 PHE . 19152 1 101 101 CYS . 19152 1 102 102 ASN . 19152 1 103 103 GLY . 19152 1 104 104 GLY . 19152 1 105 105 LYS . 19152 1 106 106 GLN . 19152 1 107 107 PHE . 19152 1 108 108 ASP . 19152 1 109 109 ALA . 19152 1 110 110 LEU . 19152 1 111 111 LEU . 19152 1 112 112 GLN . 19152 1 113 113 GLU . 19152 1 114 114 GLN . 19152 1 115 115 SER . 19152 1 116 116 ALA . 19152 1 117 117 GLN . 19152 1 118 118 ARG . 19152 1 119 119 VAL . 19152 1 120 120 GLY . 19152 1 121 121 GLU . 19152 1 122 122 MET . 19152 1 123 123 LEU . 19152 1 124 124 LEU . 19152 1 125 125 ILE . 19152 1 126 126 ASP . 19152 1 127 127 ALA . 19152 1 128 128 SER . 19152 1 129 129 GLU . 19152 1 130 130 ASN . 19152 1 131 131 PRO . 19152 1 132 132 GLU . 19152 1 133 133 PRO . 19152 1 134 134 GLU . 19152 1 135 135 THR . 19152 1 136 136 GLU . 19152 1 137 137 SER . 19152 1 138 138 ASN . 19152 1 139 139 PRO . 19152 1 140 140 TRP . 19152 1 141 141 VAL . 19152 1 142 142 GLU . 19152 1 143 143 GLN . 19152 1 144 144 TRP . 19152 1 145 145 GLY . 19152 1 146 146 THR . 19152 1 147 147 LEU . 19152 1 148 148 LEU . 19152 1 149 149 SER . 19152 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19152 1 . ALA 2 2 19152 1 . GLU 3 3 19152 1 . ILE 4 4 19152 1 . GLY 5 5 19152 1 . ILE 6 6 19152 1 . PHE 7 7 19152 1 . VAL 8 8 19152 1 . GLY 9 9 19152 1 . THR 10 10 19152 1 . MET 11 11 19152 1 . TYR 12 12 19152 1 . GLY 13 13 19152 1 . ASN 14 14 19152 1 . SER 15 15 19152 1 . LEU 16 16 19152 1 . LEU 17 17 19152 1 . VAL 18 18 19152 1 . ALA 19 19 19152 1 . GLU 20 20 19152 1 . GLU 21 21 19152 1 . ALA 22 22 19152 1 . GLU 23 23 19152 1 . ALA 24 24 19152 1 . ILE 25 25 19152 1 . LEU 26 26 19152 1 . THR 27 27 19152 1 . ALA 28 28 19152 1 . GLN 29 29 19152 1 . GLY 30 30 19152 1 . HIS 31 31 19152 1 . LYS 32 32 19152 1 . ALA 33 33 19152 1 . THR 34 34 19152 1 . VAL 35 35 19152 1 . PHE 36 36 19152 1 . GLU 37 37 19152 1 . ASP 38 38 19152 1 . PRO 39 39 19152 1 . GLU 40 40 19152 1 . LEU 41 41 19152 1 . SER 42 42 19152 1 . ASP 43 43 19152 1 . TRP 44 44 19152 1 . LEU 45 45 19152 1 . PRO 46 46 19152 1 . TYR 47 47 19152 1 . GLN 48 48 19152 1 . ASP 49 49 19152 1 . LYS 50 50 19152 1 . TYR 51 51 19152 1 . VAL 52 52 19152 1 . LEU 53 53 19152 1 . VAL 54 54 19152 1 . VAL 55 55 19152 1 . THR 56 56 19152 1 . SER 57 57 19152 1 . THR 58 58 19152 1 . THR 59 59 19152 1 . GLY 60 60 19152 1 . GLN 61 61 19152 1 . GLY 62 62 19152 1 . ASP 63 63 19152 1 . LEU 64 64 19152 1 . PRO 65 65 19152 1 . ASP 66 66 19152 1 . SER 67 67 19152 1 . ILE 68 68 19152 1 . VAL 69 69 19152 1 . PRO 70 70 19152 1 . LEU 71 71 19152 1 . PHE 72 72 19152 1 . GLN 73 73 19152 1 . GLY 74 74 19152 1 . ILE 75 75 19152 1 . LYS 76 76 19152 1 . ASP 77 77 19152 1 . SER 78 78 19152 1 . LEU 79 79 19152 1 . GLY 80 80 19152 1 . PHE 81 81 19152 1 . GLN 82 82 19152 1 . PRO 83 83 19152 1 . ASN 84 84 19152 1 . LEU 85 85 19152 1 . ARG 86 86 19152 1 . TYR 87 87 19152 1 . GLY 88 88 19152 1 . VAL 89 89 19152 1 . ILE 90 90 19152 1 . ALA 91 91 19152 1 . LEU 92 92 19152 1 . GLY 93 93 19152 1 . ASP 94 94 19152 1 . SER 95 95 19152 1 . SER 96 96 19152 1 . TYR 97 97 19152 1 . VAL 98 98 19152 1 . ASN 99 99 19152 1 . PHE 100 100 19152 1 . CYS 101 101 19152 1 . ASN 102 102 19152 1 . GLY 103 103 19152 1 . GLY 104 104 19152 1 . LYS 105 105 19152 1 . GLN 106 106 19152 1 . PHE 107 107 19152 1 . ASP 108 108 19152 1 . ALA 109 109 19152 1 . LEU 110 110 19152 1 . LEU 111 111 19152 1 . GLN 112 112 19152 1 . GLU 113 113 19152 1 . GLN 114 114 19152 1 . SER 115 115 19152 1 . ALA 116 116 19152 1 . GLN 117 117 19152 1 . ARG 118 118 19152 1 . VAL 119 119 19152 1 . GLY 120 120 19152 1 . GLU 121 121 19152 1 . MET 122 122 19152 1 . LEU 123 123 19152 1 . LEU 124 124 19152 1 . ILE 125 125 19152 1 . ASP 126 126 19152 1 . ALA 127 127 19152 1 . SER 128 128 19152 1 . GLU 129 129 19152 1 . ASN 130 130 19152 1 . PRO 131 131 19152 1 . GLU 132 132 19152 1 . PRO 133 133 19152 1 . GLU 134 134 19152 1 . THR 135 135 19152 1 . GLU 136 136 19152 1 . SER 137 137 19152 1 . ASN 138 138 19152 1 . PRO 139 139 19152 1 . TRP 140 140 19152 1 . VAL 141 141 19152 1 . GLU 142 142 19152 1 . GLN 143 143 19152 1 . TRP 144 144 19152 1 . GLY 145 145 19152 1 . THR 146 146 19152 1 . LEU 147 147 19152 1 . LEU 148 148 19152 1 . SER 149 149 19152 1 stop_ save_ save_entity_FMN _Entity.Sf_category entity _Entity.Sf_framecode entity_FMN _Entity.Entry_ID 19152 _Entity.ID 2 _Entity.BMRB_code FMN _Entity.Name 'FLAVIN MONONUCLEOTIDE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 456.344 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 19152 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 19152 2 FMN 'Three letter code' 19152 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 FMN $chem_comp_FMN 19152 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 FMN C1' 19152 2 2 1 FMN C10 19152 2 3 1 FMN C2 19152 2 4 1 FMN C2' 19152 2 5 1 FMN C3' 19152 2 6 1 FMN C4 19152 2 7 1 FMN C4' 19152 2 8 1 FMN C4A 19152 2 9 1 FMN C5' 19152 2 10 1 FMN C5A 19152 2 11 1 FMN C6 19152 2 12 1 FMN C7 19152 2 13 1 FMN C7M 19152 2 14 1 FMN C8 19152 2 15 1 FMN C8M 19152 2 16 1 FMN C9 19152 2 17 1 FMN C9A 19152 2 18 1 FMN H1'1 19152 2 19 1 FMN H1'2 19152 2 20 1 FMN H2' 19152 2 21 1 FMN H3' 19152 2 22 1 FMN H4' 19152 2 23 1 FMN H5'1 19152 2 24 1 FMN H5'2 19152 2 25 1 FMN H6 19152 2 26 1 FMN H9 19152 2 27 1 FMN HM71 19152 2 28 1 FMN HM72 19152 2 29 1 FMN HM73 19152 2 30 1 FMN HM81 19152 2 31 1 FMN HM82 19152 2 32 1 FMN HM83 19152 2 33 1 FMN HN3 19152 2 34 1 FMN HO2' 19152 2 35 1 FMN HO3' 19152 2 36 1 FMN HO4' 19152 2 37 1 FMN HOP2 19152 2 38 1 FMN HOP3 19152 2 39 1 FMN N1 19152 2 40 1 FMN N10 19152 2 41 1 FMN N3 19152 2 42 1 FMN N5 19152 2 43 1 FMN O1P 19152 2 44 1 FMN O2 19152 2 45 1 FMN O2' 19152 2 46 1 FMN O2P 19152 2 47 1 FMN O3' 19152 2 48 1 FMN O3P 19152 2 49 1 FMN O4 19152 2 50 1 FMN O4' 19152 2 51 1 FMN O5' 19152 2 52 1 FMN P 19152 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19152 _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 $holo_YqcA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . 19152 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 19152 _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 $holo_YqcA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a(+) . . . . . . 19152 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 19152 _Chem_comp.ID FMN _Chem_comp.Provenance PDB _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FMN _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all 52 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 19152 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19152 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 19152 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 19152 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 19152 FMN InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 InChI InChI 1.03 19152 FMN O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 19152 FMN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 19152 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19152 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 19152 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 19152 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 19152 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 19152 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 19152 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 19152 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 19152 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 19152 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 19152 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 19152 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 19152 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 19152 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 19152 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 19152 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 19152 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 19152 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 19152 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 19152 FMN C1' C1' C1' C1* . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 19152 FMN C2' C2' C2' C2* . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 19152 FMN O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 19152 FMN C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 19152 FMN O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 19152 FMN C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 19152 FMN O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 19152 FMN C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 19152 FMN O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 19152 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 19152 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 19152 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 19152 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 19152 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 19152 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 19152 FMN HM71 HM71 HM71 1HM7 . H . . N 0 . . . 0 no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 19152 FMN HM72 HM72 HM72 2HM7 . H . . N 0 . . . 0 no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 19152 FMN HM73 HM73 HM73 3HM7 . H . . N 0 . . . 0 no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 19152 FMN HM81 HM81 HM81 1HM8 . H . . N 0 . . . 0 no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 19152 FMN HM82 HM82 HM82 2HM8 . H . . N 0 . . . 0 no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 19152 FMN HM83 HM83 HM83 3HM8 . H . . N 0 . . . 0 no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 19152 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 19152 FMN H1'1 H1'1 H1'1 1H1* . H . . N 0 . . . 0 no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 19152 FMN H1'2 H1'2 H1'2 2H1* . H . . N 0 . . . 0 no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 19152 FMN H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 19152 FMN HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 19152 FMN H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 19152 FMN HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 19152 FMN H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 19152 FMN HO4' HO4' HO4' *HO4 . H . . N 0 . . . 0 no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 19152 FMN H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 19152 FMN H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 19152 FMN HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 19152 FMN HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 19152 FMN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 yes N 1 . 19152 FMN 2 . DOUB N1 C10 yes N 2 . 19152 FMN 3 . DOUB C2 O2 no N 3 . 19152 FMN 4 . SING C2 N3 yes N 4 . 19152 FMN 5 . SING N3 C4 yes N 5 . 19152 FMN 6 . SING N3 HN3 no N 6 . 19152 FMN 7 . DOUB C4 O4 no N 7 . 19152 FMN 8 . SING C4 C4A yes N 8 . 19152 FMN 9 . DOUB C4A N5 yes N 9 . 19152 FMN 10 . SING C4A C10 yes N 10 . 19152 FMN 11 . SING N5 C5A yes N 11 . 19152 FMN 12 . DOUB C5A C6 yes N 12 . 19152 FMN 13 . SING C5A C9A yes N 13 . 19152 FMN 14 . SING C6 C7 yes N 14 . 19152 FMN 15 . SING C6 H6 no N 15 . 19152 FMN 16 . SING C7 C7M no N 16 . 19152 FMN 17 . DOUB C7 C8 yes N 17 . 19152 FMN 18 . SING C7M HM71 no N 18 . 19152 FMN 19 . SING C7M HM72 no N 19 . 19152 FMN 20 . SING C7M HM73 no N 20 . 19152 FMN 21 . SING C8 C8M no N 21 . 19152 FMN 22 . SING C8 C9 yes N 22 . 19152 FMN 23 . SING C8M HM81 no N 23 . 19152 FMN 24 . SING C8M HM82 no N 24 . 19152 FMN 25 . SING C8M HM83 no N 25 . 19152 FMN 26 . DOUB C9 C9A yes N 26 . 19152 FMN 27 . SING C9 H9 no N 27 . 19152 FMN 28 . SING C9A N10 yes N 28 . 19152 FMN 29 . SING N10 C10 yes N 29 . 19152 FMN 30 . SING N10 C1' no N 30 . 19152 FMN 31 . SING C1' C2' no N 31 . 19152 FMN 32 . SING C1' H1'1 no N 32 . 19152 FMN 33 . SING C1' H1'2 no N 33 . 19152 FMN 34 . SING C2' O2' no N 34 . 19152 FMN 35 . SING C2' C3' no N 35 . 19152 FMN 36 . SING C2' H2' no N 36 . 19152 FMN 37 . SING O2' HO2' no N 37 . 19152 FMN 38 . SING C3' O3' no N 38 . 19152 FMN 39 . SING C3' C4' no N 39 . 19152 FMN 40 . SING C3' H3' no N 40 . 19152 FMN 41 . SING O3' HO3' no N 41 . 19152 FMN 42 . SING C4' O4' no N 42 . 19152 FMN 43 . SING C4' C5' no N 43 . 19152 FMN 44 . SING C4' H4' no N 44 . 19152 FMN 45 . SING O4' HO4' no N 45 . 19152 FMN 46 . SING C5' O5' no N 46 . 19152 FMN 47 . SING C5' H5'1 no N 47 . 19152 FMN 48 . SING C5' H5'2 no N 48 . 19152 FMN 49 . SING O5' P no N 49 . 19152 FMN 50 . DOUB P O1P no N 50 . 19152 FMN 51 . SING P O2P no N 51 . 19152 FMN 52 . SING P O3P no N 52 . 19152 FMN 53 . SING O2P HOP2 no N 53 . 19152 FMN 54 . SING O3P HOP3 no N 54 . 19152 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19152 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 holo_YqcA [U-15N] . . 1 $holo_YqcA . . 1 . . mM . . . . 19152 1 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 19152 1 3 'FLAVIN MONONUCLEOTIDE' 'natural abundance' . . . . . . 50 . . mM . . . . 19152 1 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 19152 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19152 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19152 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19152 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 holo_YqcA '[U-13C; U-15N]' . . 1 $holo_YqcA . . 1 . . mM . . . . 19152 2 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 19152 2 3 'FLAVIN MONONUCLEOTIDE' 'natural abundance' . . . . . . 50 . . mM . . . . 19152 2 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 19152 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19152 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19152 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19152 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 19152 1 pressure 1 . atm 19152 1 temperature 298 . K 19152 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19152 _Software.ID 1 _Software.Name CYANA _Software.Version v2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19152 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19152 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19152 _Software.ID 2 _Software.Name AMBER _Software.Version v9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19152 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19152 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19152 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19152 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19152 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19152 1 2 spectrometer_2 Bruker Avance . 800 . . . 19152 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 19152 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 6 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19152 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19152 _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 internal indirect 0.25145 . . . . . . . . . 19152 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19152 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10133 . . . . . . . . . 19152 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19152 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 19152 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 ALA HA H 1 4.257 . . . . . . A 2 ALA HA . 19152 1 2 . 1 1 2 2 ALA HB1 H 1 1.050 . . . . . . A 2 ALA HB1 . 19152 1 3 . 1 1 2 2 ALA HB2 H 1 1.050 . . . . . . A 2 ALA HB2 . 19152 1 4 . 1 1 2 2 ALA HB3 H 1 1.050 . . . . . . A 2 ALA HB3 . 19152 1 5 . 1 1 2 2 ALA C C 13 173.331 . . . . . . A 2 ALA C . 19152 1 6 . 1 1 2 2 ALA CA C 13 51.641 . . . . . . A 2 ALA CA . 19152 1 7 . 1 1 2 2 ALA CB C 13 20.315 . . . . . . A 2 ALA CB . 19152 1 8 . 1 1 3 3 GLU H H 1 8.728 . . . . . . A 3 GLU HN . 19152 1 9 . 1 1 3 3 GLU HA H 1 5.295 . . . . . . A 3 GLU HA . 19152 1 10 . 1 1 3 3 GLU HB2 H 1 2.218 . . . . . . A 3 GLU HB2 . 19152 1 11 . 1 1 3 3 GLU HG2 H 1 2.412 . . . . . . A 3 GLU HG2 . 19152 1 12 . 1 1 3 3 GLU HG3 H 1 2.337 . . . . . . A 3 GLU HG3 . 19152 1 13 . 1 1 3 3 GLU C C 13 174.634 . . . . . . A 3 GLU C . 19152 1 14 . 1 1 3 3 GLU CA C 13 55.952 . . . . . . A 3 GLU CA . 19152 1 15 . 1 1 3 3 GLU CB C 13 31.825 . . . . . . A 3 GLU CB . 19152 1 16 . 1 1 3 3 GLU CG C 13 36.959 . . . . . . A 3 GLU CG . 19152 1 17 . 1 1 3 3 GLU N N 15 122.603 . . . . . . A 3 GLU N . 19152 1 18 . 1 1 4 4 ILE H H 1 8.850 . . . . . . A 4 ILE H . 19152 1 19 . 1 1 4 4 ILE HA H 1 5.092 . . . . . . A 4 ILE HA . 19152 1 20 . 1 1 4 4 ILE HB H 1 1.491 . . . . . . A 4 ILE HB . 19152 1 21 . 1 1 4 4 ILE HG12 H 1 1.253 . . . . . . A 4 ILE HG12 . 19152 1 22 . 1 1 4 4 ILE HG13 H 1 0.646 . . . . . . A 4 ILE HG13 . 19152 1 23 . 1 1 4 4 ILE HG21 H 1 0.786 . . . . . . A 4 ILE HG21 . 19152 1 24 . 1 1 4 4 ILE HG22 H 1 0.786 . . . . . . A 4 ILE HG22 . 19152 1 25 . 1 1 4 4 ILE HG23 H 1 0.786 . . . . . . A 4 ILE HG23 . 19152 1 26 . 1 1 4 4 ILE HD11 H 1 0.457 . . . . . . A 4 ILE HD11 . 19152 1 27 . 1 1 4 4 ILE HD12 H 1 0.457 . . . . . . A 4 ILE HD12 . 19152 1 28 . 1 1 4 4 ILE HD13 H 1 0.457 . . . . . . A 4 ILE HD13 . 19152 1 29 . 1 1 4 4 ILE C C 13 175.485 . . . . . . A 4 ILE C . 19152 1 30 . 1 1 4 4 ILE CA C 13 59.930 . . . . . . A 4 ILE CA . 19152 1 31 . 1 1 4 4 ILE CB C 13 43.739 . . . . . . A 4 ILE CB . 19152 1 32 . 1 1 4 4 ILE CG1 C 13 27.944 . . . . . . A 4 ILE CG1 . 19152 1 33 . 1 1 4 4 ILE CG2 C 13 19.040 . . . . . . A 4 ILE CG2 . 19152 1 34 . 1 1 4 4 ILE CD1 C 13 18.515 . . . . . . A 4 ILE CD1 . 19152 1 35 . 1 1 4 4 ILE N N 15 121.108 . . . . . . A 4 ILE N . 19152 1 36 . 1 1 5 5 GLY H H 1 8.366 . . . . . . A 5 GLY H . 19152 1 37 . 1 1 5 5 GLY HA2 H 1 4.374 . . . . . . A 5 GLY HA2 . 19152 1 38 . 1 1 5 5 GLY HA3 H 1 2.189 . . . . . . A 5 GLY HA3 . 19152 1 39 . 1 1 5 5 GLY C C 13 171.252 . . . . . . A 5 GLY C . 19152 1 40 . 1 1 5 5 GLY CA C 13 43.910 . . . . . . A 5 GLY CA . 19152 1 41 . 1 1 5 5 GLY N N 15 120.022 . . . . . . A 5 GLY N . 19152 1 42 . 1 1 6 6 ILE H H 1 9.039 . . . . . . A 6 ILE H . 19152 1 43 . 1 1 6 6 ILE HA H 1 5.249 . . . . . . A 6 ILE HA . 19152 1 44 . 1 1 6 6 ILE HB H 1 1.701 . . . . . . A 6 ILE HB . 19152 1 45 . 1 1 6 6 ILE HG12 H 1 0.746 . . . . . . A 6 ILE HG12 . 19152 1 46 . 1 1 6 6 ILE HG13 H 1 1.425 . . . . . . A 6 ILE HG13 . 19152 1 47 . 1 1 6 6 ILE HG21 H 1 0.724 . . . . . . A 6 ILE HG21 . 19152 1 48 . 1 1 6 6 ILE HG22 H 1 0.724 . . . . . . A 6 ILE HG22 . 19152 1 49 . 1 1 6 6 ILE HG23 H 1 0.724 . . . . . . A 6 ILE HG23 . 19152 1 50 . 1 1 6 6 ILE HD11 H 1 0.629 . . . . . . A 6 ILE HD11 . 19152 1 51 . 1 1 6 6 ILE HD12 H 1 0.629 . . . . . . A 6 ILE HD12 . 19152 1 52 . 1 1 6 6 ILE HD13 H 1 0.629 . . . . . . A 6 ILE HD13 . 19152 1 53 . 1 1 6 6 ILE C C 13 173.960 . . . . . . A 6 ILE C . 19152 1 54 . 1 1 6 6 ILE CA C 13 60.061 . . . . . . A 6 ILE CA . 19152 1 55 . 1 1 6 6 ILE CB C 13 38.103 . . . . . . A 6 ILE CB . 19152 1 56 . 1 1 6 6 ILE CG1 C 13 26.959 . . . . . . A 6 ILE CG1 . 19152 1 57 . 1 1 6 6 ILE CG2 C 13 17.363 . . . . . . A 6 ILE CG2 . 19152 1 58 . 1 1 6 6 ILE CD1 C 13 13.860 . . . . . . A 6 ILE CD1 . 19152 1 59 . 1 1 6 6 ILE N N 15 127.376 . . . . . . A 6 ILE N . 19152 1 60 . 1 1 7 7 PHE H H 1 8.921 . . . . . . A 7 PHE H . 19152 1 61 . 1 1 7 7 PHE HA H 1 4.728 . . . . . . A 7 PHE HA . 19152 1 62 . 1 1 7 7 PHE HB2 H 1 2.783 . . . . . . A 7 PHE HB2 . 19152 1 63 . 1 1 7 7 PHE HB3 H 1 2.769 . . . . . . A 7 PHE HB3 . 19152 1 64 . 1 1 7 7 PHE HD1 H 1 7.116 . . . . . . A 7 PHE HD1 . 19152 1 65 . 1 1 7 7 PHE HE1 H 1 6.627 . . . . . . A 7 PHE HE1 . 19152 1 66 . 1 1 7 7 PHE HZ H 1 6.867 . . . . . . A 7 PHE HZ . 19152 1 67 . 1 1 7 7 PHE C C 13 174.461 . . . . . . A 7 PHE C . 19152 1 68 . 1 1 7 7 PHE CA C 13 58.422 . . . . . . A 7 PHE CA . 19152 1 69 . 1 1 7 7 PHE CB C 13 42.067 . . . . . . A 7 PHE CB . 19152 1 70 . 1 1 7 7 PHE CD1 C 13 132.587 . . . . . . A 7 PHE CD1 . 19152 1 71 . 1 1 7 7 PHE CE1 C 13 130.676 . . . . . . A 7 PHE CE1 . 19152 1 72 . 1 1 7 7 PHE CZ C 13 130.026 . . . . . . A 7 PHE CZ . 19152 1 73 . 1 1 7 7 PHE N N 15 127.723 . . . . . . A 7 PHE N . 19152 1 74 . 1 1 8 8 VAL H H 1 7.255 . . . . . . A 8 VAL H . 19152 1 75 . 1 1 8 8 VAL HA H 1 4.867 . . . . . . A 8 VAL HA . 19152 1 76 . 1 1 8 8 VAL HB H 1 1.970 . . . . . . A 8 VAL HB . 19152 1 77 . 1 1 8 8 VAL HG11 H 1 0.593 . . . . . . A 8 VAL HG11 . 19152 1 78 . 1 1 8 8 VAL HG12 H 1 0.593 . . . . . . A 8 VAL HG12 . 19152 1 79 . 1 1 8 8 VAL HG13 H 1 0.593 . . . . . . A 8 VAL HG13 . 19152 1 80 . 1 1 8 8 VAL HG21 H 1 0.655 . . . . . . A 8 VAL HG21 . 19152 1 81 . 1 1 8 8 VAL HG22 H 1 0.655 . . . . . . A 8 VAL HG22 . 19152 1 82 . 1 1 8 8 VAL HG23 H 1 0.655 . . . . . . A 8 VAL HG23 . 19152 1 83 . 1 1 8 8 VAL C C 13 175.511 . . . . . . A 8 VAL C . 19152 1 84 . 1 1 8 8 VAL CA C 13 62.310 . . . . . . A 8 VAL CA . 19152 1 85 . 1 1 8 8 VAL CB C 13 34.160 . . . . . . A 8 VAL CB . 19152 1 86 . 1 1 8 8 VAL CG1 C 13 21.384 . . . . . . A 8 VAL CG1 . 19152 1 87 . 1 1 8 8 VAL CG2 C 13 22.800 . . . . . . A 8 VAL CG2 . 19152 1 88 . 1 1 8 8 VAL N N 15 122.014 . . . . . . A 8 VAL N . 19152 1 89 . 1 1 9 9 GLY H H 1 9.405 . . . . . . A 9 GLY H . 19152 1 90 . 1 1 9 9 GLY HA2 H 1 4.384 . . . . . . A 9 GLY HA2 . 19152 1 91 . 1 1 9 9 GLY HA3 H 1 3.580 . . . . . . A 9 GLY HA3 . 19152 1 92 . 1 1 9 9 GLY C C 13 171.067 . . . . . . A 9 GLY C . 19152 1 93 . 1 1 9 9 GLY CA C 13 44.730 . . . . . . A 9 GLY CA . 19152 1 94 . 1 1 9 9 GLY N N 15 117.003 . . . . . . A 9 GLY N . 19152 1 95 . 1 1 10 10 THR H H 1 7.467 . . . . . . A 10 THR H . 19152 1 96 . 1 1 10 10 THR HA H 1 5.116 . . . . . . A 10 THR HA . 19152 1 97 . 1 1 10 10 THR HB H 1 3.695 . . . . . . A 10 THR HB . 19152 1 98 . 1 1 10 10 THR HG21 H 1 0.982 . . . . . . A 10 THR HG21 . 19152 1 99 . 1 1 10 10 THR HG22 H 1 0.982 . . . . . . A 10 THR HG22 . 19152 1 100 . 1 1 10 10 THR HG23 H 1 0.982 . . . . . . A 10 THR HG23 . 19152 1 101 . 1 1 10 10 THR C C 13 171.636 . . . . . . A 10 THR C . 19152 1 102 . 1 1 10 10 THR CA C 13 59.660 . . . . . . A 10 THR CA . 19152 1 103 . 1 1 10 10 THR CB C 13 71.876 . . . . . . A 10 THR CB . 19152 1 104 . 1 1 10 10 THR CG2 C 13 19.051 . . . . . . A 10 THR CG2 . 19152 1 105 . 1 1 10 10 THR N N 15 117.936 . . . . . . A 10 THR N . 19152 1 106 . 1 1 11 11 MET H H 1 11.078 . . . . . . A 11 MET H . 19152 1 107 . 1 1 11 11 MET HA H 1 4.596 . . . . . . A 11 MET HA . 19152 1 108 . 1 1 11 11 MET HB2 H 1 1.450 . . . . . . A 11 MET HB2 . 19152 1 109 . 1 1 11 11 MET HB3 H 1 1.145 . . . . . . A 11 MET HB3 . 19152 1 110 . 1 1 11 11 MET HG2 H 1 1.836 . . . . . . A 11 MET HG2 . 19152 1 111 . 1 1 11 11 MET HG3 H 1 2.048 . . . . . . A 11 MET HG3 . 19152 1 112 . 1 1 11 11 MET HE1 H 1 2.320 . . . . . . A 11 MET HE1 . 19152 1 113 . 1 1 11 11 MET HE2 H 1 2.320 . . . . . . A 11 MET HE2 . 19152 1 114 . 1 1 11 11 MET HE3 H 1 2.320 . . . . . . A 11 MET HE3 . 19152 1 115 . 1 1 11 11 MET C C 13 177.484 . . . . . . A 11 MET C . 19152 1 116 . 1 1 11 11 MET CA C 13 55.740 . . . . . . A 11 MET CA . 19152 1 117 . 1 1 11 11 MET CB C 13 32.470 . . . . . . A 11 MET CB . 19152 1 118 . 1 1 11 11 MET CG C 13 31.990 . . . . . . A 11 MET CG . 19152 1 119 . 1 1 11 11 MET CE C 13 21.340 . . . . . . A 11 MET CE . 19152 1 120 . 1 1 11 11 MET N N 15 130.850 . . . . . . A 11 MET N . 19152 1 121 . 1 1 12 12 TYR H H 1 8.626 . . . . . . A 12 TYR H . 19152 1 122 . 1 1 12 12 TYR HA H 1 4.936 . . . . . . A 12 TYR HA . 19152 1 123 . 1 1 12 12 TYR HB2 H 1 3.477 . . . . . . A 12 TYR HB2 . 19152 1 124 . 1 1 12 12 TYR HB3 H 1 3.237 . . . . . . A 12 TYR HB3 . 19152 1 125 . 1 1 12 12 TYR HD1 H 1 7.289 . . . . . . A 12 TYR HD1 . 19152 1 126 . 1 1 12 12 TYR HE1 H 1 6.747 . . . . . . A 12 TYR HE1 . 19152 1 127 . 1 1 12 12 TYR C C 13 176.883 . . . . . . A 12 TYR C . 19152 1 128 . 1 1 12 12 TYR CA C 13 56.400 . . . . . . A 12 TYR CA . 19152 1 129 . 1 1 12 12 TYR CB C 13 38.390 . . . . . . A 12 TYR CB . 19152 1 130 . 1 1 12 12 TYR CD1 C 13 133.780 . . . . . . A 12 TYR CD1 . 19152 1 131 . 1 1 12 12 TYR CE1 C 13 118.069 . . . . . . A 12 TYR CE1 . 19152 1 132 . 1 1 12 12 TYR N N 15 119.681 . . . . . . A 12 TYR N . 19152 1 133 . 1 1 13 13 GLY H H 1 8.392 . . . . . . A 13 GLY H . 19152 1 134 . 1 1 13 13 GLY HA2 H 1 3.613 . . . . . . A 13 GLY HA2 . 19152 1 135 . 1 1 13 13 GLY HA3 H 1 4.489 . . . . . . A 13 GLY HA3 . 19152 1 136 . 1 1 13 13 GLY C C 13 176.800 . . . . . . A 13 GLY C . 19152 1 137 . 1 1 13 13 GLY CA C 13 46.048 . . . . . . A 13 GLY CA . 19152 1 138 . 1 1 13 13 GLY N N 15 110.685 . . . . . . A 13 GLY N . 19152 1 139 . 1 1 14 14 ASN H H 1 11.051 . . . . . . A 14 ASN H . 19152 1 140 . 1 1 14 14 ASN HA H 1 4.432 . . . . . . A 14 ASN HA . 19152 1 141 . 1 1 14 14 ASN HB2 H 1 3.640 . . . . . . A 14 ASN HB2 . 19152 1 142 . 1 1 14 14 ASN HB3 H 1 2.317 . . . . . . A 14 ASN HB3 . 19152 1 143 . 1 1 14 14 ASN HD21 H 1 9.563 . . . . . . A 14 ASN HD21 . 19152 1 144 . 1 1 14 14 ASN HD22 H 1 7.226 . . . . . . A 14 ASN HD22 . 19152 1 145 . 1 1 14 14 ASN C C 13 178.769 . . . . . . A 14 ASN C . 19152 1 146 . 1 1 14 14 ASN CA C 13 58.504 . . . . . . A 14 ASN CA . 19152 1 147 . 1 1 14 14 ASN CB C 13 38.367 . . . . . . A 14 ASN CB . 19152 1 148 . 1 1 14 14 ASN N N 15 130.657 . . . . . . A 14 ASN N . 19152 1 149 . 1 1 14 14 ASN ND2 N 15 118.610 . . . . . . A 14 ASN ND2 . 19152 1 150 . 1 1 15 15 SER H H 1 11.191 . . . . . . A 15 SER H . 19152 1 151 . 1 1 15 15 SER HA H 1 3.833 . . . . . . A 15 SER HA . 19152 1 152 . 1 1 15 15 SER HB2 H 1 3.624 . . . . . . A 15 SER HB2 . 19152 1 153 . 1 1 15 15 SER HB3 H 1 3.507 . . . . . . A 15 SER HB3 . 19152 1 154 . 1 1 15 15 SER C C 13 175.973 . . . . . . A 15 SER C . 19152 1 155 . 1 1 15 15 SER CA C 13 62.590 . . . . . . A 15 SER CA . 19152 1 156 . 1 1 15 15 SER CB C 13 63.883 . . . . . . A 15 SER CB . 19152 1 157 . 1 1 15 15 SER N N 15 119.853 . . . . . . A 15 SER N . 19152 1 158 . 1 1 16 16 LEU H H 1 6.422 . . . . . . A 16 LEU H . 19152 1 159 . 1 1 16 16 LEU HA H 1 4.018 . . . . . . A 16 LEU HA . 19152 1 160 . 1 1 16 16 LEU HB2 H 1 1.911 . . . . . . A 16 LEU HB2 . 19152 1 161 . 1 1 16 16 LEU HB3 H 1 1.175 . . . . . . A 16 LEU HB3 . 19152 1 162 . 1 1 16 16 LEU HG H 1 1.537 . . . . . . A 16 LEU HG . 19152 1 163 . 1 1 16 16 LEU HD11 H 1 0.858 . . . . . . A 16 LEU HD11 . 19152 1 164 . 1 1 16 16 LEU HD12 H 1 0.858 . . . . . . A 16 LEU HD12 . 19152 1 165 . 1 1 16 16 LEU HD13 H 1 0.858 . . . . . . A 16 LEU HD13 . 19152 1 166 . 1 1 16 16 LEU C C 13 176.898 . . . . . . A 16 LEU C . 19152 1 167 . 1 1 16 16 LEU CA C 13 57.352 . . . . . . A 16 LEU CA . 19152 1 168 . 1 1 16 16 LEU CB C 13 41.722 . . . . . . A 16 LEU CB . 19152 1 169 . 1 1 16 16 LEU CG C 13 26.938 . . . . . . A 16 LEU CG . 19152 1 170 . 1 1 16 16 LEU CD1 C 13 23.150 . . . . . . A 16 LEU CD1 . 19152 1 171 . 1 1 16 16 LEU N N 15 119.295 . . . . . . A 16 LEU N . 19152 1 172 . 1 1 17 17 LEU H H 1 7.549 . . . . . . A 17 LEU H . 19152 1 173 . 1 1 17 17 LEU HA H 1 4.232 . . . . . . A 17 LEU HA . 19152 1 174 . 1 1 17 17 LEU HB2 H 1 2.091 . . . . . . A 17 LEU HB2 . 19152 1 175 . 1 1 17 17 LEU HB3 H 1 1.788 . . . . . . A 17 LEU HB3 . 19152 1 176 . 1 1 17 17 LEU HG H 1 1.685 . . . . . . A 17 LEU HG . 19152 1 177 . 1 1 17 17 LEU HD11 H 1 1.007 . . . . . . A 17 LEU HD11 . 19152 1 178 . 1 1 17 17 LEU HD12 H 1 1.007 . . . . . . A 17 LEU HD12 . 19152 1 179 . 1 1 17 17 LEU HD13 H 1 1.007 . . . . . . A 17 LEU HD13 . 19152 1 180 . 1 1 17 17 LEU HD21 H 1 0.953 . . . . . . A 17 LEU HD21 . 19152 1 181 . 1 1 17 17 LEU HD22 H 1 0.953 . . . . . . A 17 LEU HD22 . 19152 1 182 . 1 1 17 17 LEU HD23 H 1 0.953 . . . . . . A 17 LEU HD23 . 19152 1 183 . 1 1 17 17 LEU C C 13 179.688 . . . . . . A 17 LEU C . 19152 1 184 . 1 1 17 17 LEU CA C 13 58.723 . . . . . . A 17 LEU CA . 19152 1 185 . 1 1 17 17 LEU CB C 13 40.829 . . . . . . A 17 LEU CB . 19152 1 186 . 1 1 17 17 LEU CG C 13 27.533 . . . . . . A 17 LEU CG . 19152 1 187 . 1 1 17 17 LEU CD1 C 13 24.929 . . . . . . A 17 LEU CD1 . 19152 1 188 . 1 1 17 17 LEU CD2 C 13 24.929 . . . . . . A 17 LEU CD2 . 19152 1 189 . 1 1 17 17 LEU N N 15 122.509 . . . . . . A 17 LEU N . 19152 1 190 . 1 1 18 18 VAL H H 1 7.888 . . . . . . A 18 VAL H . 19152 1 191 . 1 1 18 18 VAL HA H 1 3.289 . . . . . . A 18 VAL HA . 19152 1 192 . 1 1 18 18 VAL HB H 1 2.161 . . . . . . A 18 VAL HB . 19152 1 193 . 1 1 18 18 VAL HG11 H 1 0.784 . . . . . . A 18 VAL HG11 . 19152 1 194 . 1 1 18 18 VAL HG12 H 1 0.784 . . . . . . A 18 VAL HG12 . 19152 1 195 . 1 1 18 18 VAL HG13 H 1 0.784 . . . . . . A 18 VAL HG13 . 19152 1 196 . 1 1 18 18 VAL HG21 H 1 1.011 . . . . . . A 18 VAL HG21 . 19152 1 197 . 1 1 18 18 VAL HG22 H 1 1.011 . . . . . . A 18 VAL HG22 . 19152 1 198 . 1 1 18 18 VAL HG23 H 1 1.011 . . . . . . A 18 VAL HG23 . 19152 1 199 . 1 1 18 18 VAL C C 13 178.607 . . . . . . A 18 VAL C . 19152 1 200 . 1 1 18 18 VAL CA C 13 67.060 . . . . . . A 18 VAL CA . 19152 1 201 . 1 1 18 18 VAL CB C 13 31.220 . . . . . . A 18 VAL CB . 19152 1 202 . 1 1 18 18 VAL CG1 C 13 21.146 . . . . . . A 18 VAL CG1 . 19152 1 203 . 1 1 18 18 VAL CG2 C 13 23.134 . . . . . . A 18 VAL CG2 . 19152 1 204 . 1 1 18 18 VAL N N 15 118.755 . . . . . . A 18 VAL N . 19152 1 205 . 1 1 19 19 ALA H H 1 8.225 . . . . . . A 19 ALA H . 19152 1 206 . 1 1 19 19 ALA HA H 1 3.788 . . . . . . A 19 ALA HA . 19152 1 207 . 1 1 19 19 ALA HB1 H 1 1.420 . . . . . . A 19 ALA HB1 . 19152 1 208 . 1 1 19 19 ALA HB2 H 1 1.420 . . . . . . A 19 ALA HB2 . 19152 1 209 . 1 1 19 19 ALA HB3 H 1 1.420 . . . . . . A 19 ALA HB3 . 19152 1 210 . 1 1 19 19 ALA C C 13 178.395 . . . . . . A 19 ALA C . 19152 1 211 . 1 1 19 19 ALA CA C 13 55.590 . . . . . . A 19 ALA CA . 19152 1 212 . 1 1 19 19 ALA CB C 13 20.480 . . . . . . A 19 ALA CB . 19152 1 213 . 1 1 19 19 ALA N N 15 123.221 . . . . . . A 19 ALA N . 19152 1 214 . 1 1 20 20 GLU H H 1 8.830 . . . . . . A 20 GLU HN . 19152 1 215 . 1 1 20 20 GLU HA H 1 4.033 . . . . . . A 20 GLU HA . 19152 1 216 . 1 1 20 20 GLU HB2 H 1 2.274 . . . . . . A 20 GLU HB2 . 19152 1 217 . 1 1 20 20 GLU HB3 H 1 2.040 . . . . . . A 20 GLU HB3 . 19152 1 218 . 1 1 20 20 GLU HG2 H 1 2.590 . . . . . . A 20 GLU HG2 . 19152 1 219 . 1 1 20 20 GLU HG3 H 1 2.248 . . . . . . A 20 GLU HG3 . 19152 1 220 . 1 1 20 20 GLU C C 13 181.070 . . . . . . A 20 GLU C . 19152 1 221 . 1 1 20 20 GLU CA C 13 59.740 . . . . . . A 20 GLU CA . 19152 1 222 . 1 1 20 20 GLU CB C 13 29.030 . . . . . . A 20 GLU CB . 19152 1 223 . 1 1 20 20 GLU CG C 13 36.240 . . . . . . A 20 GLU CG . 19152 1 224 . 1 1 20 20 GLU N N 15 119.581 . . . . . . A 20 GLU N . 19152 1 225 . 1 1 21 21 GLU H H 1 8.590 . . . . . . A 21 GLU HN . 19152 1 226 . 1 1 21 21 GLU HA H 1 4.032 . . . . . . A 21 GLU HA . 19152 1 227 . 1 1 21 21 GLU HB2 H 1 2.802 . . . . . . A 21 GLU HB2 . 19152 1 228 . 1 1 21 21 GLU HB3 H 1 2.032 . . . . . . A 21 GLU HB3 . 19152 1 229 . 1 1 21 21 GLU HG2 H 1 2.412 . . . . . . A 21 GLU HG2 . 19152 1 230 . 1 1 21 21 GLU HG3 H 1 2.248 . . . . . . A 21 GLU HG3 . 19152 1 231 . 1 1 21 21 GLU C C 13 179.510 . . . . . . A 21 GLU C . 19152 1 232 . 1 1 21 21 GLU CA C 13 59.445 . . . . . . A 21 GLU CA . 19152 1 233 . 1 1 21 21 GLU CB C 13 29.231 . . . . . . A 21 GLU CB . 19152 1 234 . 1 1 21 21 GLU CG C 13 37.072 . . . . . . A 21 GLU CG . 19152 1 235 . 1 1 21 21 GLU N N 15 122.380 . . . . . . A 21 GLU N . 19152 1 236 . 1 1 22 22 ALA H H 1 8.434 . . . . . . A 22 ALA H . 19152 1 237 . 1 1 22 22 ALA HA H 1 4.059 . . . . . . A 22 ALA HA . 19152 1 238 . 1 1 22 22 ALA HB1 H 1 1.430 . . . . . . A 22 ALA HB1 . 19152 1 239 . 1 1 22 22 ALA HB2 H 1 1.430 . . . . . . A 22 ALA HB2 . 19152 1 240 . 1 1 22 22 ALA HB3 H 1 1.430 . . . . . . A 22 ALA HB3 . 19152 1 241 . 1 1 22 22 ALA C C 13 178.942 . . . . . . A 22 ALA C . 19152 1 242 . 1 1 22 22 ALA CA C 13 54.750 . . . . . . A 22 ALA CA . 19152 1 243 . 1 1 22 22 ALA CB C 13 18.000 . . . . . . A 22 ALA CB . 19152 1 244 . 1 1 22 22 ALA N N 15 122.395 . . . . . . A 22 ALA N . 19152 1 245 . 1 1 23 23 GLU H H 1 8.543 . . . . . . A 23 GLU HN . 19152 1 246 . 1 1 23 23 GLU HA H 1 3.426 . . . . . . A 23 GLU HA . 19152 1 247 . 1 1 23 23 GLU HB2 H 1 2.379 . . . . . . A 23 GLU HB2 . 19152 1 248 . 1 1 23 23 GLU HB3 H 1 1.807 . . . . . . A 23 GLU HB3 . 19152 1 249 . 1 1 23 23 GLU HG2 H 1 2.103 . . . . . . A 23 GLU HG2 . 19152 1 250 . 1 1 23 23 GLU HG3 H 1 2.019 . . . . . . A 23 GLU HG3 . 19152 1 251 . 1 1 23 23 GLU C C 13 178.413 . . . . . . A 23 GLU C . 19152 1 252 . 1 1 23 23 GLU CA C 13 60.410 . . . . . . A 23 GLU CA . 19152 1 253 . 1 1 23 23 GLU CB C 13 28.910 . . . . . . A 23 GLU CB . 19152 1 254 . 1 1 23 23 GLU CG C 13 35.080 . . . . . . A 23 GLU CG . 19152 1 255 . 1 1 23 23 GLU N N 15 120.013 . . . . . . A 23 GLU N . 19152 1 256 . 1 1 24 24 ALA H H 1 7.451 . . . . . . A 24 ALA H . 19152 1 257 . 1 1 24 24 ALA HA H 1 4.058 . . . . . . A 24 ALA HA . 19152 1 258 . 1 1 24 24 ALA HB1 H 1 1.543 . . . . . . A 24 ALA HB1 . 19152 1 259 . 1 1 24 24 ALA HB2 H 1 1.543 . . . . . . A 24 ALA HB2 . 19152 1 260 . 1 1 24 24 ALA HB3 H 1 1.543 . . . . . . A 24 ALA HB3 . 19152 1 261 . 1 1 24 24 ALA C C 13 181.090 . . . . . . A 24 ALA C . 19152 1 262 . 1 1 24 24 ALA CA C 13 55.550 . . . . . . A 24 ALA CA . 19152 1 263 . 1 1 24 24 ALA CB C 13 18.070 . . . . . . A 24 ALA CB . 19152 1 264 . 1 1 24 24 ALA N N 15 122.821 . . . . . . A 24 ALA N . 19152 1 265 . 1 1 25 25 ILE H H 1 7.683 . . . . . . A 25 ILE H . 19152 1 266 . 1 1 25 25 ILE HA H 1 3.684 . . . . . . A 25 ILE HA . 19152 1 267 . 1 1 25 25 ILE HB H 1 1.799 . . . . . . A 25 ILE HB . 19152 1 268 . 1 1 25 25 ILE HG12 H 1 1.769 . . . . . . A 25 ILE HG12 . 19152 1 269 . 1 1 25 25 ILE HG13 H 1 1.073 . . . . . . A 25 ILE HG13 . 19152 1 270 . 1 1 25 25 ILE HG21 H 1 0.840 . . . . . . A 25 ILE HG21 . 19152 1 271 . 1 1 25 25 ILE HG22 H 1 0.840 . . . . . . A 25 ILE HG22 . 19152 1 272 . 1 1 25 25 ILE HG23 H 1 0.840 . . . . . . A 25 ILE HG23 . 19152 1 273 . 1 1 25 25 ILE HD11 H 1 0.881 . . . . . . A 25 ILE HD11 . 19152 1 274 . 1 1 25 25 ILE HD12 H 1 0.881 . . . . . . A 25 ILE HD12 . 19152 1 275 . 1 1 25 25 ILE HD13 H 1 0.881 . . . . . . A 25 ILE HD13 . 19152 1 276 . 1 1 25 25 ILE C C 13 178.484 . . . . . . A 25 ILE C . 19152 1 277 . 1 1 25 25 ILE CA C 13 65.173 . . . . . . A 25 ILE CA . 19152 1 278 . 1 1 25 25 ILE CB C 13 39.134 . . . . . . A 25 ILE CB . 19152 1 279 . 1 1 25 25 ILE CG1 C 13 29.968 . . . . . . A 25 ILE CG1 . 19152 1 280 . 1 1 25 25 ILE CG2 C 13 17.221 . . . . . . A 25 ILE CG2 . 19152 1 281 . 1 1 25 25 ILE CD1 C 13 14.385 . . . . . . A 25 ILE CD1 . 19152 1 282 . 1 1 25 25 ILE N N 15 121.721 . . . . . . A 25 ILE N . 19152 1 283 . 1 1 26 26 LEU H H 1 8.626 . . . . . . A 26 LEU H . 19152 1 284 . 1 1 26 26 LEU HA H 1 4.175 . . . . . . A 26 LEU HA . 19152 1 285 . 1 1 26 26 LEU HB2 H 1 1.739 . . . . . . A 26 LEU HB2 . 19152 1 286 . 1 1 26 26 LEU HB3 H 1 1.249 . . . . . . A 26 LEU HB3 . 19152 1 287 . 1 1 26 26 LEU HG H 1 1.833 . . . . . . A 26 LEU HG . 19152 1 288 . 1 1 26 26 LEU HD11 H 1 0.961 . . . . . . A 26 LEU HD11 . 19152 1 289 . 1 1 26 26 LEU HD12 H 1 0.961 . . . . . . A 26 LEU HD12 . 19152 1 290 . 1 1 26 26 LEU HD13 H 1 0.961 . . . . . . A 26 LEU HD13 . 19152 1 291 . 1 1 26 26 LEU HD21 H 1 0.800 . . . . . . A 26 LEU HD21 . 19152 1 292 . 1 1 26 26 LEU HD22 H 1 0.800 . . . . . . A 26 LEU HD22 . 19152 1 293 . 1 1 26 26 LEU HD23 H 1 0.800 . . . . . . A 26 LEU HD23 . 19152 1 294 . 1 1 26 26 LEU C C 13 179.957 . . . . . . A 26 LEU C . 19152 1 295 . 1 1 26 26 LEU CA C 13 58.030 . . . . . . A 26 LEU CA . 19152 1 296 . 1 1 26 26 LEU CB C 13 41.210 . . . . . . A 26 LEU CB . 19152 1 297 . 1 1 26 26 LEU CG C 13 27.120 . . . . . . A 26 LEU CG . 19152 1 298 . 1 1 26 26 LEU CD1 C 13 22.370 . . . . . . A 26 LEU CD1 . 19152 1 299 . 1 1 26 26 LEU CD2 C 13 25.600 . . . . . . A 26 LEU CD2 . 19152 1 300 . 1 1 26 26 LEU N N 15 120.008 . . . . . . A 26 LEU N . 19152 1 301 . 1 1 27 27 THR H H 1 8.782 . . . . . . A 27 THR H . 19152 1 302 . 1 1 27 27 THR HA H 1 4.545 . . . . . . A 27 THR HA . 19152 1 303 . 1 1 27 27 THR HB H 1 4.263 . . . . . . A 27 THR HB . 19152 1 304 . 1 1 27 27 THR HG21 H 1 1.348 . . . . . . A 27 THR HG21 . 19152 1 305 . 1 1 27 27 THR HG22 H 1 1.348 . . . . . . A 27 THR HG22 . 19152 1 306 . 1 1 27 27 THR HG23 H 1 1.348 . . . . . . A 27 THR HG23 . 19152 1 307 . 1 1 27 27 THR C C 13 179.074 . . . . . . A 27 THR C . 19152 1 308 . 1 1 27 27 THR CA C 13 65.946 . . . . . . A 27 THR CA . 19152 1 309 . 1 1 27 27 THR CB C 13 68.620 . . . . . . A 27 THR CB . 19152 1 310 . 1 1 27 27 THR CG2 C 13 21.860 . . . . . . A 27 THR CG2 . 19152 1 311 . 1 1 27 27 THR N N 15 118.391 . . . . . . A 27 THR N . 19152 1 312 . 1 1 28 28 ALA H H 1 7.787 . . . . . . A 28 ALA H . 19152 1 313 . 1 1 28 28 ALA HA H 1 4.212 . . . . . . A 28 ALA HA . 19152 1 314 . 1 1 28 28 ALA HB1 H 1 1.570 . . . . . . A 28 ALA HB1 . 19152 1 315 . 1 1 28 28 ALA HB2 H 1 1.570 . . . . . . A 28 ALA HB2 . 19152 1 316 . 1 1 28 28 ALA HB3 H 1 1.570 . . . . . . A 28 ALA HB3 . 19152 1 317 . 1 1 28 28 ALA C C 13 179.423 . . . . . . A 28 ALA C . 19152 1 318 . 1 1 28 28 ALA CA C 13 54.860 . . . . . . A 28 ALA CA . 19152 1 319 . 1 1 28 28 ALA CB C 13 17.650 . . . . . . A 28 ALA CB . 19152 1 320 . 1 1 28 28 ALA N N 15 126.965 . . . . . . A 28 ALA N . 19152 1 321 . 1 1 29 29 GLN H H 1 7.359 . . . . . . A 29 GLN H . 19152 1 322 . 1 1 29 29 GLN HA H 1 4.132 . . . . . . A 29 GLN HA . 19152 1 323 . 1 1 29 29 GLN HB2 H 1 2.259 . . . . . . A 29 GLN HB2 . 19152 1 324 . 1 1 29 29 GLN HB3 H 1 1.950 . . . . . . A 29 GLN HB3 . 19152 1 325 . 1 1 29 29 GLN HG2 H 1 2.774 . . . . . . A 29 GLN HG2 . 19152 1 326 . 1 1 29 29 GLN HG3 H 1 2.265 . . . . . . A 29 GLN HG3 . 19152 1 327 . 1 1 29 29 GLN HE21 H 1 6.876 . . . . . . A 29 GLN HE21 . 19152 1 328 . 1 1 29 29 GLN HE22 H 1 6.988 . . . . . . A 29 GLN HE22 . 19152 1 329 . 1 1 29 29 GLN C C 13 176.526 . . . . . . A 29 GLN C . 19152 1 330 . 1 1 29 29 GLN CA C 13 56.660 . . . . . . A 29 GLN CA . 19152 1 331 . 1 1 29 29 GLN CB C 13 29.336 . . . . . . A 29 GLN CB . 19152 1 332 . 1 1 29 29 GLN CG C 13 33.923 . . . . . . A 29 GLN CG . 19152 1 333 . 1 1 29 29 GLN N N 15 116.223 . . . . . . A 29 GLN N . 19152 1 334 . 1 1 29 29 GLN NE2 N 15 107.382 . . . . . . A 29 GLN NE2 . 19152 1 335 . 1 1 30 30 GLY H H 1 7.900 . . . . . . A 30 GLY H . 19152 1 336 . 1 1 30 30 GLY HA2 H 1 4.146 . . . . . . A 30 GLY HA2 . 19152 1 337 . 1 1 30 30 GLY HA3 H 1 3.624 . . . . . . A 30 GLY HA3 . 19152 1 338 . 1 1 30 30 GLY C C 13 174.813 . . . . . . A 30 GLY C . 19152 1 339 . 1 1 30 30 GLY CA C 13 44.470 . . . . . . A 30 GLY CA . 19152 1 340 . 1 1 30 30 GLY N N 15 106.607 . . . . . . A 30 GLY N . 19152 1 341 . 1 1 31 31 HIS H H 1 7.556 . . . . . . A 31 HIS H . 19152 1 342 . 1 1 31 31 HIS HA H 1 4.835 . . . . . . A 31 HIS HA . 19152 1 343 . 1 1 31 31 HIS HB2 H 1 2.945 . . . . . . A 31 HIS HB2 . 19152 1 344 . 1 1 31 31 HIS HB3 H 1 2.491 . . . . . . A 31 HIS HB3 . 19152 1 345 . 1 1 31 31 HIS HD2 H 1 7.051 . . . . . . A 31 HIS HD2 . 19152 1 346 . 1 1 31 31 HIS C C 13 174.690 . . . . . . A 31 HIS C . 19152 1 347 . 1 1 31 31 HIS CA C 13 55.940 . . . . . . A 31 HIS CA . 19152 1 348 . 1 1 31 31 HIS CB C 13 32.220 . . . . . . A 31 HIS CB . 19152 1 349 . 1 1 31 31 HIS CD2 C 13 118.834 . . . . . . A 31 HIS CD2 . 19152 1 350 . 1 1 31 31 HIS N N 15 120.071 . . . . . . A 31 HIS N . 19152 1 351 . 1 1 32 32 LYS H H 1 8.670 . . . . . . A 32 LYS HN . 19152 1 352 . 1 1 32 32 LYS HA H 1 4.729 . . . . . . A 32 LYS HA . 19152 1 353 . 1 1 32 32 LYS HB2 H 1 1.953 . . . . . . A 32 LYS HB2 . 19152 1 354 . 1 1 32 32 LYS HB3 H 1 1.821 . . . . . . A 32 LYS HB3 . 19152 1 355 . 1 1 32 32 LYS HG2 H 1 1.484 . . . . . . A 32 LYS HG2 . 19152 1 356 . 1 1 32 32 LYS HG3 H 1 1.449 . . . . . . A 32 LYS HG3 . 19152 1 357 . 1 1 32 32 LYS HD2 H 1 1.695 . . . . . . A 32 LYS HD2 . 19152 1 358 . 1 1 32 32 LYS HE2 H 1 2.982 . . . . . . A 32 LYS HE2 . 19152 1 359 . 1 1 32 32 LYS C C 13 174.518 . . . . . . A 32 LYS C . 19152 1 360 . 1 1 32 32 LYS CA C 13 54.906 . . . . . . A 32 LYS CA . 19152 1 361 . 1 1 32 32 LYS CB C 13 32.927 . . . . . . A 32 LYS CB . 19152 1 362 . 1 1 32 32 LYS CG C 13 24.697 . . . . . . A 32 LYS CG . 19152 1 363 . 1 1 32 32 LYS CD C 13 29.338 . . . . . . A 32 LYS CD . 19152 1 364 . 1 1 32 32 LYS CE C 13 42.340 . . . . . . A 32 LYS CE . 19152 1 365 . 1 1 32 32 LYS N N 15 122.416 . . . . . . A 32 LYS N . 19152 1 366 . 1 1 33 33 ALA H H 1 8.813 . . . . . . A 33 ALA H . 19152 1 367 . 1 1 33 33 ALA HA H 1 5.841 . . . . . . A 33 ALA HA . 19152 1 368 . 1 1 33 33 ALA HB1 H 1 1.198 . . . . . . A 33 ALA HB1 . 19152 1 369 . 1 1 33 33 ALA HB2 H 1 1.198 . . . . . . A 33 ALA HB2 . 19152 1 370 . 1 1 33 33 ALA HB3 H 1 1.198 . . . . . . A 33 ALA HB3 . 19152 1 371 . 1 1 33 33 ALA C C 13 175.582 . . . . . . A 33 ALA C . 19152 1 372 . 1 1 33 33 ALA CA C 13 50.024 . . . . . . A 33 ALA CA . 19152 1 373 . 1 1 33 33 ALA CB C 13 22.439 . . . . . . A 33 ALA CB . 19152 1 374 . 1 1 33 33 ALA N N 15 130.747 . . . . . . A 33 ALA N . 19152 1 375 . 1 1 34 34 THR H H 1 7.793 . . . . . . A 34 THR H . 19152 1 376 . 1 1 34 34 THR HA H 1 4.360 . . . . . . A 34 THR HA . 19152 1 377 . 1 1 34 34 THR HB H 1 3.719 . . . . . . A 34 THR HB . 19152 1 378 . 1 1 34 34 THR HG21 H 1 0.556 . . . . . . A 34 THR HG21 . 19152 1 379 . 1 1 34 34 THR HG22 H 1 0.556 . . . . . . A 34 THR HG22 . 19152 1 380 . 1 1 34 34 THR HG23 H 1 0.556 . . . . . . A 34 THR HG23 . 19152 1 381 . 1 1 34 34 THR C C 13 171.283 . . . . . . A 34 THR C . 19152 1 382 . 1 1 34 34 THR CA C 13 61.832 . . . . . . A 34 THR CA . 19152 1 383 . 1 1 34 34 THR CB C 13 71.968 . . . . . . A 34 THR CB . 19152 1 384 . 1 1 34 34 THR CG2 C 13 21.835 . . . . . . A 34 THR CG2 . 19152 1 385 . 1 1 34 34 THR N N 15 117.711 . . . . . . A 34 THR N . 19152 1 386 . 1 1 35 35 VAL H H 1 8.468 . . . . . . A 35 VAL H . 19152 1 387 . 1 1 35 35 VAL HA H 1 4.159 . . . . . . A 35 VAL HA . 19152 1 388 . 1 1 35 35 VAL HB H 1 1.797 . . . . . . A 35 VAL HB . 19152 1 389 . 1 1 35 35 VAL HG11 H 1 0.606 . . . . . . A 35 VAL HG11 . 19152 1 390 . 1 1 35 35 VAL HG12 H 1 0.606 . . . . . . A 35 VAL HG12 . 19152 1 391 . 1 1 35 35 VAL HG13 H 1 0.606 . . . . . . A 35 VAL HG13 . 19152 1 392 . 1 1 35 35 VAL HG21 H 1 0.698 . . . . . . A 35 VAL HG21 . 19152 1 393 . 1 1 35 35 VAL HG22 H 1 0.698 . . . . . . A 35 VAL HG22 . 19152 1 394 . 1 1 35 35 VAL HG23 H 1 0.698 . . . . . . A 35 VAL HG23 . 19152 1 395 . 1 1 35 35 VAL C C 13 174.646 . . . . . . A 35 VAL C . 19152 1 396 . 1 1 35 35 VAL CA C 13 62.061 . . . . . . A 35 VAL CA . 19152 1 397 . 1 1 35 35 VAL CB C 13 32.673 . . . . . . A 35 VAL CB . 19152 1 398 . 1 1 35 35 VAL CG1 C 13 21.862 . . . . . . A 35 VAL CG1 . 19152 1 399 . 1 1 35 35 VAL CG2 C 13 23.300 . . . . . . A 35 VAL CG2 . 19152 1 400 . 1 1 35 35 VAL N N 15 127.185 . . . . . . A 35 VAL N . 19152 1 401 . 1 1 36 36 PHE H H 1 9.135 . . . . . . A 36 PHE H . 19152 1 402 . 1 1 36 36 PHE HA H 1 4.551 . . . . . . A 36 PHE HA . 19152 1 403 . 1 1 36 36 PHE HB2 H 1 2.810 . . . . . . A 36 PHE HB2 . 19152 1 404 . 1 1 36 36 PHE HB3 H 1 2.451 . . . . . . A 36 PHE HB3 . 19152 1 405 . 1 1 36 36 PHE HD1 H 1 6.484 . . . . . . A 36 PHE HD1 . 19152 1 406 . 1 1 36 36 PHE HE1 H 1 7.127 . . . . . . A 36 PHE HE1 . 19152 1 407 . 1 1 36 36 PHE HZ H 1 7.595 . . . . . . A 36 PHE HZ . 19152 1 408 . 1 1 36 36 PHE C C 13 174.274 . . . . . . A 36 PHE C . 19152 1 409 . 1 1 36 36 PHE CA C 13 57.868 . . . . . . A 36 PHE CA . 19152 1 410 . 1 1 36 36 PHE CB C 13 40.423 . . . . . . A 36 PHE CB . 19152 1 411 . 1 1 36 36 PHE CD1 C 13 132.650 . . . . . . A 36 PHE CD1 . 19152 1 412 . 1 1 36 36 PHE CE1 C 13 130.500 . . . . . . A 36 PHE CE1 . 19152 1 413 . 1 1 36 36 PHE CZ C 13 130.500 . . . . . . A 36 PHE CZ . 19152 1 414 . 1 1 36 36 PHE N N 15 128.203 . . . . . . A 36 PHE N . 19152 1 415 . 1 1 37 37 GLU H H 1 8.397 . . . . . . A 37 GLU HN . 19152 1 416 . 1 1 37 37 GLU HA H 1 4.450 . . . . . . A 37 GLU HA . 19152 1 417 . 1 1 37 37 GLU HB2 H 1 1.981 . . . . . . A 37 GLU HB2 . 19152 1 418 . 1 1 37 37 GLU HB3 H 1 1.851 . . . . . . A 37 GLU HB3 . 19152 1 419 . 1 1 37 37 GLU HG2 H 1 2.132 . . . . . . A 37 GLU HG2 . 19152 1 420 . 1 1 37 37 GLU HG3 H 1 2.070 . . . . . . A 37 GLU HG3 . 19152 1 421 . 1 1 37 37 GLU C C 13 176.015 . . . . . . A 37 GLU C . 19152 1 422 . 1 1 37 37 GLU CA C 13 55.617 . . . . . . A 37 GLU CA . 19152 1 423 . 1 1 37 37 GLU CB C 13 31.744 . . . . . . A 37 GLU CB . 19152 1 424 . 1 1 37 37 GLU CG C 13 37.330 . . . . . . A 37 GLU CG . 19152 1 425 . 1 1 37 37 GLU N N 15 124.111 . . . . . . A 37 GLU N . 19152 1 426 . 1 1 38 38 ASP H H 1 9.757 . . . . . . A 38 ASP HN . 19152 1 427 . 1 1 38 38 ASP HA H 1 4.897 . . . . . . A 38 ASP HA . 19152 1 428 . 1 1 38 38 ASP HB2 H 1 2.797 . . . . . . A 38 ASP HB2 . 19152 1 429 . 1 1 38 38 ASP HB3 H 1 2.723 . . . . . . A 38 ASP HB3 . 19152 1 430 . 1 1 38 38 ASP C C 13 174.013 . . . . . . A 38 ASP C . 19152 1 431 . 1 1 38 38 ASP CA C 13 54.494 . . . . . . A 38 ASP CA . 19152 1 432 . 1 1 38 38 ASP CB C 13 40.735 . . . . . . A 38 ASP CB . 19152 1 433 . 1 1 38 38 ASP N N 15 121.124 . . . . . . A 38 ASP N . 19152 1 434 . 1 1 39 39 PRO HA H 1 4.646 . . . . . . A 39 PRO HA . 19152 1 435 . 1 1 39 39 PRO HB2 H 1 2.589 . . . . . . A 39 PRO HB2 . 19152 1 436 . 1 1 39 39 PRO HB3 H 1 2.263 . . . . . . A 39 PRO HB3 . 19152 1 437 . 1 1 39 39 PRO HG2 H 1 2.446 . . . . . . A 39 PRO HG2 . 19152 1 438 . 1 1 39 39 PRO HG3 H 1 2.154 . . . . . . A 39 PRO HG3 . 19152 1 439 . 1 1 39 39 PRO HD2 H 1 4.084 . . . . . . A 39 PRO HD2 . 19152 1 440 . 1 1 39 39 PRO HD3 H 1 3.884 . . . . . . A 39 PRO HD3 . 19152 1 441 . 1 1 39 39 PRO C C 13 176.323 . . . . . . A 39 PRO C . 19152 1 442 . 1 1 39 39 PRO CA C 13 63.233 . . . . . . A 39 PRO CA . 19152 1 443 . 1 1 39 39 PRO CB C 13 34.473 . . . . . . A 39 PRO CB . 19152 1 444 . 1 1 39 39 PRO CG C 13 28.822 . . . . . . A 39 PRO CG . 19152 1 445 . 1 1 39 39 PRO CD C 13 50.557 . . . . . . A 39 PRO CD . 19152 1 446 . 1 1 40 40 GLU H H 1 9.182 . . . . . . A 40 GLU HN . 19152 1 447 . 1 1 40 40 GLU HA H 1 4.719 . . . . . . A 40 GLU HA . 19152 1 448 . 1 1 40 40 GLU HB2 H 1 2.293 . . . . . . A 40 GLU HB2 . 19152 1 449 . 1 1 40 40 GLU HB3 H 1 1.915 . . . . . . A 40 GLU HB3 . 19152 1 450 . 1 1 40 40 GLU HG2 H 1 2.422 . . . . . . A 40 GLU HG2 . 19152 1 451 . 1 1 40 40 GLU HG3 H 1 2.337 . . . . . . A 40 GLU HG3 . 19152 1 452 . 1 1 40 40 GLU C C 13 177.896 . . . . . . A 40 GLU C . 19152 1 453 . 1 1 40 40 GLU CA C 13 53.830 . . . . . . A 40 GLU CA . 19152 1 454 . 1 1 40 40 GLU CB C 13 33.505 . . . . . . A 40 GLU CB . 19152 1 455 . 1 1 40 40 GLU CG C 13 36.556 . . . . . . A 40 GLU CG . 19152 1 456 . 1 1 40 40 GLU N N 15 119.725 . . . . . . A 40 GLU N . 19152 1 457 . 1 1 41 41 LEU H H 1 9.202 . . . . . . A 41 LEU H . 19152 1 458 . 1 1 41 41 LEU HA H 1 3.899 . . . . . . A 41 LEU HA . 19152 1 459 . 1 1 41 41 LEU HB2 H 1 1.902 . . . . . . A 41 LEU HB2 . 19152 1 460 . 1 1 41 41 LEU HB3 H 1 1.346 . . . . . . A 41 LEU HB3 . 19152 1 461 . 1 1 41 41 LEU HG H 1 0.740 . . . . . . A 41 LEU HG . 19152 1 462 . 1 1 41 41 LEU HD11 H 1 0.570 . . . . . . A 41 LEU HD11 . 19152 1 463 . 1 1 41 41 LEU HD12 H 1 0.570 . . . . . . A 41 LEU HD12 . 19152 1 464 . 1 1 41 41 LEU HD13 H 1 0.570 . . . . . . A 41 LEU HD13 . 19152 1 465 . 1 1 41 41 LEU C C 13 178.785 . . . . . . A 41 LEU C . 19152 1 466 . 1 1 41 41 LEU CA C 13 58.544 . . . . . . A 41 LEU CA . 19152 1 467 . 1 1 41 41 LEU CB C 13 41.674 . . . . . . A 41 LEU CB . 19152 1 468 . 1 1 41 41 LEU CG C 13 25.823 . . . . . . A 41 LEU CG . 19152 1 469 . 1 1 41 41 LEU CD1 C 13 23.408 . . . . . . A 41 LEU CD1 . 19152 1 470 . 1 1 41 41 LEU N N 15 124.500 . . . . . . A 41 LEU N . 19152 1 471 . 1 1 42 42 SER H H 1 8.412 . . . . . . A 42 SER H . 19152 1 472 . 1 1 42 42 SER HA H 1 4.013 . . . . . . A 42 SER HA . 19152 1 473 . 1 1 42 42 SER HB2 H 1 3.910 . . . . . . A 42 SER HB2 . 19152 1 474 . 1 1 42 42 SER C C 13 176.393 . . . . . . A 42 SER C . 19152 1 475 . 1 1 42 42 SER CA C 13 61.564 . . . . . . A 42 SER CA . 19152 1 476 . 1 1 42 42 SER CB C 13 60.532 . . . . . . A 42 SER CB . 19152 1 477 . 1 1 42 42 SER N N 15 111.207 . . . . . . A 42 SER N . 19152 1 478 . 1 1 43 43 ASP H H 1 7.697 . . . . . . A 43 ASP HN . 19152 1 479 . 1 1 43 43 ASP HA H 1 4.460 . . . . . . A 43 ASP HA . 19152 1 480 . 1 1 43 43 ASP HB2 H 1 2.935 . . . . . . A 43 ASP HB2 . 19152 1 481 . 1 1 43 43 ASP HB3 H 1 1.948 . . . . . . A 43 ASP HB3 . 19152 1 482 . 1 1 43 43 ASP C C 13 176.219 . . . . . . A 43 ASP C . 19152 1 483 . 1 1 43 43 ASP CA C 13 56.920 . . . . . . A 43 ASP CA . 19152 1 484 . 1 1 43 43 ASP CB C 13 42.830 . . . . . . A 43 ASP CB . 19152 1 485 . 1 1 43 43 ASP N N 15 120.569 . . . . . . A 43 ASP N . 19152 1 486 . 1 1 44 44 TRP H H 1 7.441 . . . . . . A 44 TRP H . 19152 1 487 . 1 1 44 44 TRP HA H 1 4.215 . . . . . . A 44 TRP HA . 19152 1 488 . 1 1 44 44 TRP HB2 H 1 3.379 . . . . . . A 44 TRP HB2 . 19152 1 489 . 1 1 44 44 TRP HB3 H 1 2.713 . . . . . . A 44 TRP HB3 . 19152 1 490 . 1 1 44 44 TRP HD1 H 1 6.415 . . . . . . A 44 TRP HD1 . 19152 1 491 . 1 1 44 44 TRP HE1 H 1 10.817 . . . . . . A 44 TRP HE1 . 19152 1 492 . 1 1 44 44 TRP HZ2 H 1 7.062 . . . . . . A 44 TRP HZ2 . 19152 1 493 . 1 1 44 44 TRP HZ3 H 1 6.075 . . . . . . A 44 TRP HZ3 . 19152 1 494 . 1 1 44 44 TRP HH2 H 1 6.658 . . . . . . A 44 TRP HH2 . 19152 1 495 . 1 1 44 44 TRP C C 13 177.212 . . . . . . A 44 TRP C . 19152 1 496 . 1 1 44 44 TRP CA C 13 59.458 . . . . . . A 44 TRP CA . 19152 1 497 . 1 1 44 44 TRP CB C 13 30.394 . . . . . . A 44 TRP CB . 19152 1 498 . 1 1 44 44 TRP CD1 C 13 126.275 . . . . . . A 44 TRP CD1 . 19152 1 499 . 1 1 44 44 TRP CZ2 C 13 113.380 . . . . . . A 44 TRP CZ2 . 19152 1 500 . 1 1 44 44 TRP CZ3 C 13 120.880 . . . . . . A 44 TRP CZ3 . 19152 1 501 . 1 1 44 44 TRP CH2 C 13 123.460 . . . . . . A 44 TRP CH2 . 19152 1 502 . 1 1 44 44 TRP N N 15 119.197 . . . . . . A 44 TRP N . 19152 1 503 . 1 1 44 44 TRP NE1 N 15 130.106 . . . . . . A 44 TRP NE1 . 19152 1 504 . 1 1 45 45 LEU H H 1 7.590 . . . . . . A 45 LEU H . 19152 1 505 . 1 1 45 45 LEU HA H 1 4.175 . . . . . . A 45 LEU HA . 19152 1 506 . 1 1 45 45 LEU HB2 H 1 1.547 . . . . . . A 45 LEU HB2 . 19152 1 507 . 1 1 45 45 LEU HB3 H 1 1.960 . . . . . . A 45 LEU HB3 . 19152 1 508 . 1 1 45 45 LEU HG H 1 0.949 . . . . . . A 45 LEU HG . 19152 1 509 . 1 1 45 45 LEU HD11 H 1 0.922 . . . . . . A 45 LEU HD11 . 19152 1 510 . 1 1 45 45 LEU HD12 H 1 0.922 . . . . . . A 45 LEU HD12 . 19152 1 511 . 1 1 45 45 LEU HD13 H 1 0.922 . . . . . . A 45 LEU HD13 . 19152 1 512 . 1 1 45 45 LEU C C 13 176.359 . . . . . . A 45 LEU C . 19152 1 513 . 1 1 45 45 LEU CA C 13 59.501 . . . . . . A 45 LEU CA . 19152 1 514 . 1 1 45 45 LEU CB C 13 39.363 . . . . . . A 45 LEU CB . 19152 1 515 . 1 1 45 45 LEU CG C 13 25.200 . . . . . . A 45 LEU CG . 19152 1 516 . 1 1 45 45 LEU CD1 C 13 22.962 . . . . . . A 45 LEU CD1 . 19152 1 517 . 1 1 45 45 LEU N N 15 115.001 . . . . . . A 45 LEU N . 19152 1 518 . 1 1 46 46 PRO HA H 1 4.373 . . . . . . A 46 PRO HA . 19152 1 519 . 1 1 46 46 PRO HB2 H 1 2.224 . . . . . . A 46 PRO HB2 . 19152 1 520 . 1 1 46 46 PRO HB3 H 1 1.188 . . . . . . A 46 PRO HB3 . 19152 1 521 . 1 1 46 46 PRO HG2 H 1 1.827 . . . . . . A 46 PRO HG2 . 19152 1 522 . 1 1 46 46 PRO HG3 H 1 2.160 . . . . . . A 46 PRO HG3 . 19152 1 523 . 1 1 46 46 PRO HD2 H 1 3.740 . . . . . . A 46 PRO HD2 . 19152 1 524 . 1 1 46 46 PRO HD3 H 1 3.456 . . . . . . A 46 PRO HD3 . 19152 1 525 . 1 1 46 46 PRO C C 13 176.821 . . . . . . A 46 PRO C . 19152 1 526 . 1 1 46 46 PRO CA C 13 65.173 . . . . . . A 46 PRO CA . 19152 1 527 . 1 1 46 46 PRO CB C 13 31.628 . . . . . . A 46 PRO CB . 19152 1 528 . 1 1 46 46 PRO CG C 13 28.012 . . . . . . A 46 PRO CG . 19152 1 529 . 1 1 46 46 PRO CD C 13 51.731 . . . . . . A 46 PRO CD . 19152 1 530 . 1 1 47 47 TYR H H 1 8.276 . . . . . . A 47 TYR H . 19152 1 531 . 1 1 47 47 TYR HA H 1 4.147 . . . . . . A 47 TYR HA . 19152 1 532 . 1 1 47 47 TYR HB2 H 1 3.172 . . . . . . A 47 TYR HB2 . 19152 1 533 . 1 1 47 47 TYR HB3 H 1 2.288 . . . . . . A 47 TYR HB3 . 19152 1 534 . 1 1 47 47 TYR HD2 H 1 7.345 . . . . . . A 47 TYR HD2 . 19152 1 535 . 1 1 47 47 TYR HE2 H 1 6.948 . . . . . . A 47 TYR HE2 . 19152 1 536 . 1 1 47 47 TYR C C 13 175.807 . . . . . . A 47 TYR C . 19152 1 537 . 1 1 47 47 TYR CA C 13 59.193 . . . . . . A 47 TYR CA . 19152 1 538 . 1 1 47 47 TYR CB C 13 38.091 . . . . . . A 47 TYR CB . 19152 1 539 . 1 1 47 47 TYR CD2 C 13 133.542 . . . . . . A 47 TYR CD2 . 19152 1 540 . 1 1 47 47 TYR CE2 C 13 118.549 . . . . . . A 47 TYR CE2 . 19152 1 541 . 1 1 47 47 TYR N N 15 114.318 . . . . . . A 47 TYR N . 19152 1 542 . 1 1 48 48 GLN H H 1 7.313 . . . . . . A 48 GLN H . 19152 1 543 . 1 1 48 48 GLN HA H 1 3.875 . . . . . . A 48 GLN HA . 19152 1 544 . 1 1 48 48 GLN HB2 H 1 2.210 . . . . . . A 48 GLN HB2 . 19152 1 545 . 1 1 48 48 GLN HB3 H 1 2.083 . . . . . . A 48 GLN HB3 . 19152 1 546 . 1 1 48 48 GLN HG2 H 1 2.631 . . . . . . A 48 GLN HG2 . 19152 1 547 . 1 1 48 48 GLN HG3 H 1 2.578 . . . . . . A 48 GLN HG3 . 19152 1 548 . 1 1 48 48 GLN HE21 H 1 7.502 . . . . . . A 48 GLN HE21 . 19152 1 549 . 1 1 48 48 GLN HE22 H 1 7.148 . . . . . . A 48 GLN HE22 . 19152 1 550 . 1 1 48 48 GLN C C 13 174.396 . . . . . . A 48 GLN C . 19152 1 551 . 1 1 48 48 GLN CA C 13 60.000 . . . . . . A 48 GLN CA . 19152 1 552 . 1 1 48 48 GLN CB C 13 30.961 . . . . . . A 48 GLN CB . 19152 1 553 . 1 1 48 48 GLN CG C 13 35.571 . . . . . . A 48 GLN CG . 19152 1 554 . 1 1 48 48 GLN N N 15 117.482 . . . . . . A 48 GLN N . 19152 1 555 . 1 1 48 48 GLN NE2 N 15 111.869 . . . . . . A 48 GLN NE2 . 19152 1 556 . 1 1 49 49 ASP H H 1 7.859 . . . . . . A 49 ASP HN . 19152 1 557 . 1 1 49 49 ASP HA H 1 4.703 . . . . . . A 49 ASP HA . 19152 1 558 . 1 1 49 49 ASP HB2 H 1 2.760 . . . . . . A 49 ASP HB2 . 19152 1 559 . 1 1 49 49 ASP HB3 H 1 2.523 . . . . . . A 49 ASP HB3 . 19152 1 560 . 1 1 49 49 ASP C C 13 176.365 . . . . . . A 49 ASP C . 19152 1 561 . 1 1 49 49 ASP CA C 13 51.804 . . . . . . A 49 ASP CA . 19152 1 562 . 1 1 49 49 ASP CB C 13 40.204 . . . . . . A 49 ASP CB . 19152 1 563 . 1 1 49 49 ASP N N 15 115.298 . . . . . . A 49 ASP N . 19152 1 564 . 1 1 50 50 LYS H H 1 7.870 . . . . . . A 50 LYS HN . 19152 1 565 . 1 1 50 50 LYS HA H 1 4.593 . . . . . . A 50 LYS HA . 19152 1 566 . 1 1 50 50 LYS HB2 H 1 2.755 . . . . . . A 50 LYS HB2 . 19152 1 567 . 1 1 50 50 LYS HB3 H 1 1.808 . . . . . . A 50 LYS HB3 . 19152 1 568 . 1 1 50 50 LYS HG2 H 1 1.553 . . . . . . A 50 LYS HG2 . 19152 1 569 . 1 1 50 50 LYS HG3 H 1 1.397 . . . . . . A 50 LYS HG3 . 19152 1 570 . 1 1 50 50 LYS HD2 H 1 1.452 . . . . . . A 50 LYS HD2 . 19152 1 571 . 1 1 50 50 LYS HD3 H 1 1.765 . . . . . . A 50 LYS HD3 . 19152 1 572 . 1 1 50 50 LYS HE2 H 1 2.960 . . . . . . A 50 LYS HE2 . 19152 1 573 . 1 1 50 50 LYS C C 13 173.073 . . . . . . A 50 LYS C . 19152 1 574 . 1 1 50 50 LYS CA C 13 54.603 . . . . . . A 50 LYS CA . 19152 1 575 . 1 1 50 50 LYS CB C 13 33.504 . . . . . . A 50 LYS CB . 19152 1 576 . 1 1 50 50 LYS CG C 13 25.374 . . . . . . A 50 LYS CG . 19152 1 577 . 1 1 50 50 LYS CD C 13 29.860 . . . . . . A 50 LYS CD . 19152 1 578 . 1 1 50 50 LYS CE C 13 42.669 . . . . . . A 50 LYS CE . 19152 1 579 . 1 1 50 50 LYS N N 15 124.506 . . . . . . A 50 LYS N . 19152 1 580 . 1 1 51 51 TYR H H 1 7.772 . . . . . . A 51 TYR H . 19152 1 581 . 1 1 51 51 TYR HA H 1 6.079 . . . . . . A 51 TYR HA . 19152 1 582 . 1 1 51 51 TYR HB2 H 1 3.160 . . . . . . A 51 TYR HB2 . 19152 1 583 . 1 1 51 51 TYR HB3 H 1 2.621 . . . . . . A 51 TYR HB3 . 19152 1 584 . 1 1 51 51 TYR HD2 H 1 6.957 . . . . . . A 51 TYR HD2 . 19152 1 585 . 1 1 51 51 TYR HE2 H 1 6.664 . . . . . . A 51 TYR HE2 . 19152 1 586 . 1 1 51 51 TYR C C 13 175.893 . . . . . . A 51 TYR C . 19152 1 587 . 1 1 51 51 TYR CA C 13 56.407 . . . . . . A 51 TYR CA . 19152 1 588 . 1 1 51 51 TYR CB C 13 42.658 . . . . . . A 51 TYR CB . 19152 1 589 . 1 1 51 51 TYR CD2 C 13 133.959 . . . . . . A 51 TYR CD2 . 19152 1 590 . 1 1 51 51 TYR CE2 C 13 118.304 . . . . . . A 51 TYR CE2 . 19152 1 591 . 1 1 51 51 TYR N N 15 119.088 . . . . . . A 51 TYR N . 19152 1 592 . 1 1 52 52 VAL H H 1 8.636 . . . . . . A 52 VAL H . 19152 1 593 . 1 1 52 52 VAL HA H 1 5.485 . . . . . . A 52 VAL HA . 19152 1 594 . 1 1 52 52 VAL HB H 1 1.876 . . . . . . A 52 VAL HB . 19152 1 595 . 1 1 52 52 VAL HG11 H 1 0.650 . . . . . . A 52 VAL HG11 . 19152 1 596 . 1 1 52 52 VAL HG12 H 1 0.650 . . . . . . A 52 VAL HG12 . 19152 1 597 . 1 1 52 52 VAL HG13 H 1 0.650 . . . . . . A 52 VAL HG13 . 19152 1 598 . 1 1 52 52 VAL HG21 H 1 0.304 . . . . . . A 52 VAL HG21 . 19152 1 599 . 1 1 52 52 VAL HG22 H 1 0.304 . . . . . . A 52 VAL HG22 . 19152 1 600 . 1 1 52 52 VAL HG23 H 1 0.304 . . . . . . A 52 VAL HG23 . 19152 1 601 . 1 1 52 52 VAL C C 13 173.932 . . . . . . A 52 VAL C . 19152 1 602 . 1 1 52 52 VAL CA C 13 58.843 . . . . . . A 52 VAL CA . 19152 1 603 . 1 1 52 52 VAL CB C 13 36.318 . . . . . . A 52 VAL CB . 19152 1 604 . 1 1 52 52 VAL CG1 C 13 20.187 . . . . . . A 52 VAL CG1 . 19152 1 605 . 1 1 52 52 VAL CG2 C 13 22.460 . . . . . . A 52 VAL CG2 . 19152 1 606 . 1 1 52 52 VAL N N 15 112.744 . . . . . . A 52 VAL N . 19152 1 607 . 1 1 53 53 LEU H H 1 9.163 . . . . . . A 53 LEU H . 19152 1 608 . 1 1 53 53 LEU HA H 1 4.902 . . . . . . A 53 LEU HA . 19152 1 609 . 1 1 53 53 LEU HB2 H 1 1.560 . . . . . . A 53 LEU HB2 . 19152 1 610 . 1 1 53 53 LEU HB3 H 1 1.040 . . . . . . A 53 LEU HB3 . 19152 1 611 . 1 1 53 53 LEU HG H 1 0.981 . . . . . . A 53 LEU HG . 19152 1 612 . 1 1 53 53 LEU HD11 H 1 0.377 . . . . . . A 53 LEU HD11 . 19152 1 613 . 1 1 53 53 LEU HD12 H 1 0.377 . . . . . . A 53 LEU HD12 . 19152 1 614 . 1 1 53 53 LEU HD13 H 1 0.377 . . . . . . A 53 LEU HD13 . 19152 1 615 . 1 1 53 53 LEU HD21 H 1 0.053 . . . . . . A 53 LEU HD21 . 19152 1 616 . 1 1 53 53 LEU HD22 H 1 0.053 . . . . . . A 53 LEU HD22 . 19152 1 617 . 1 1 53 53 LEU HD23 H 1 0.053 . . . . . . A 53 LEU HD23 . 19152 1 618 . 1 1 53 53 LEU C C 13 175.011 . . . . . . A 53 LEU C . 19152 1 619 . 1 1 53 53 LEU CA C 13 52.768 . . . . . . A 53 LEU CA . 19152 1 620 . 1 1 53 53 LEU CB C 13 45.254 . . . . . . A 53 LEU CB . 19152 1 621 . 1 1 53 53 LEU CG C 13 27.017 . . . . . . A 53 LEU CG . 19152 1 622 . 1 1 53 53 LEU CD1 C 13 24.439 . . . . . . A 53 LEU CD1 . 19152 1 623 . 1 1 53 53 LEU CD2 C 13 21.603 . . . . . . A 53 LEU CD2 . 19152 1 624 . 1 1 53 53 LEU N N 15 124.951 . . . . . . A 53 LEU N . 19152 1 625 . 1 1 54 54 VAL H H 1 8.635 . . . . . . A 54 VAL H . 19152 1 626 . 1 1 54 54 VAL HA H 1 4.427 . . . . . . A 54 VAL HA . 19152 1 627 . 1 1 54 54 VAL HB H 1 1.862 . . . . . . A 54 VAL HB . 19152 1 628 . 1 1 54 54 VAL HG11 H 1 0.038 . . . . . . A 54 VAL HG11 . 19152 1 629 . 1 1 54 54 VAL HG12 H 1 0.038 . . . . . . A 54 VAL HG12 . 19152 1 630 . 1 1 54 54 VAL HG13 H 1 0.038 . . . . . . A 54 VAL HG13 . 19152 1 631 . 1 1 54 54 VAL HG21 H 1 0.715 . . . . . . A 54 VAL HG21 . 19152 1 632 . 1 1 54 54 VAL HG22 H 1 0.715 . . . . . . A 54 VAL HG22 . 19152 1 633 . 1 1 54 54 VAL HG23 H 1 0.715 . . . . . . A 54 VAL HG23 . 19152 1 634 . 1 1 54 54 VAL C C 13 173.920 . . . . . . A 54 VAL C . 19152 1 635 . 1 1 54 54 VAL CA C 13 62.000 . . . . . . A 54 VAL CA . 19152 1 636 . 1 1 54 54 VAL CB C 13 32.659 . . . . . . A 54 VAL CB . 19152 1 637 . 1 1 54 54 VAL CG1 C 13 19.516 . . . . . . A 54 VAL CG1 . 19152 1 638 . 1 1 54 54 VAL CG2 C 13 20.806 . . . . . . A 54 VAL CG2 . 19152 1 639 . 1 1 54 54 VAL N N 15 128.590 . . . . . . A 54 VAL N . 19152 1 640 . 1 1 55 55 VAL H H 1 8.592 . . . . . . A 55 VAL H . 19152 1 641 . 1 1 55 55 VAL HA H 1 5.130 . . . . . . A 55 VAL HA . 19152 1 642 . 1 1 55 55 VAL HB H 1 1.896 . . . . . . A 55 VAL HB . 19152 1 643 . 1 1 55 55 VAL HG11 H 1 0.561 . . . . . . A 55 VAL HG11 . 19152 1 644 . 1 1 55 55 VAL HG12 H 1 0.561 . . . . . . A 55 VAL HG12 . 19152 1 645 . 1 1 55 55 VAL HG13 H 1 0.561 . . . . . . A 55 VAL HG13 . 19152 1 646 . 1 1 55 55 VAL HG21 H 1 0.815 . . . . . . A 55 VAL HG21 . 19152 1 647 . 1 1 55 55 VAL HG22 H 1 0.815 . . . . . . A 55 VAL HG22 . 19152 1 648 . 1 1 55 55 VAL HG23 H 1 0.815 . . . . . . A 55 VAL HG23 . 19152 1 649 . 1 1 55 55 VAL C C 13 174.780 . . . . . . A 55 VAL C . 19152 1 650 . 1 1 55 55 VAL CA C 13 59.759 . . . . . . A 55 VAL CA . 19152 1 651 . 1 1 55 55 VAL CB C 13 32.870 . . . . . . A 55 VAL CB . 19152 1 652 . 1 1 55 55 VAL CG1 C 13 20.426 . . . . . . A 55 VAL CG1 . 19152 1 653 . 1 1 55 55 VAL CG2 C 13 22.119 . . . . . . A 55 VAL CG2 . 19152 1 654 . 1 1 55 55 VAL N N 15 128.366 . . . . . . A 55 VAL N . 19152 1 655 . 1 1 56 56 THR H H 1 8.400 . . . . . . A 56 THR H . 19152 1 656 . 1 1 56 56 THR HA H 1 6.170 . . . . . . A 56 THR HA . 19152 1 657 . 1 1 56 56 THR HB H 1 3.569 . . . . . . A 56 THR HB . 19152 1 658 . 1 1 56 56 THR HG21 H 1 0.820 . . . . . . A 56 THR HG21 . 19152 1 659 . 1 1 56 56 THR HG22 H 1 0.820 . . . . . . A 56 THR HG22 . 19152 1 660 . 1 1 56 56 THR HG23 H 1 0.820 . . . . . . A 56 THR HG23 . 19152 1 661 . 1 1 56 56 THR C C 13 172.940 . . . . . . A 56 THR C . 19152 1 662 . 1 1 56 56 THR CA C 13 58.470 . . . . . . A 56 THR CA . 19152 1 663 . 1 1 56 56 THR CB C 13 70.116 . . . . . . A 56 THR CB . 19152 1 664 . 1 1 56 56 THR CG2 C 13 19.025 . . . . . . A 56 THR CG2 . 19152 1 665 . 1 1 56 56 THR N N 15 117.480 . . . . . . A 56 THR N . 19152 1 666 . 1 1 57 57 SER H H 1 8.061 . . . . . . A 57 SER H . 19152 1 667 . 1 1 57 57 SER HA H 1 5.474 . . . . . . A 57 SER HA . 19152 1 668 . 1 1 57 57 SER HB2 H 1 4.245 . . . . . . A 57 SER HB2 . 19152 1 669 . 1 1 57 57 SER HB3 H 1 3.998 . . . . . . A 57 SER HB3 . 19152 1 670 . 1 1 57 57 SER C C 13 173.902 . . . . . . A 57 SER C . 19152 1 671 . 1 1 57 57 SER CA C 13 56.692 . . . . . . A 57 SER CA . 19152 1 672 . 1 1 57 57 SER CB C 13 64.142 . . . . . . A 57 SER CB . 19152 1 673 . 1 1 57 57 SER N N 15 127.922 . . . . . . A 57 SER N . 19152 1 674 . 1 1 58 58 THR H H 1 6.312 . . . . . . A 58 THR H . 19152 1 675 . 1 1 58 58 THR HA H 1 4.441 . . . . . . A 58 THR HA . 19152 1 676 . 1 1 58 58 THR HB H 1 3.381 . . . . . . A 58 THR HB . 19152 1 677 . 1 1 58 58 THR HG21 H 1 1.296 . . . . . . A 58 THR HG21 . 19152 1 678 . 1 1 58 58 THR HG22 H 1 1.296 . . . . . . A 58 THR HG22 . 19152 1 679 . 1 1 58 58 THR HG23 H 1 1.296 . . . . . . A 58 THR HG23 . 19152 1 680 . 1 1 58 58 THR C C 13 172.910 . . . . . . A 58 THR C . 19152 1 681 . 1 1 58 58 THR CA C 13 62.079 . . . . . . A 58 THR CA . 19152 1 682 . 1 1 58 58 THR CB C 13 72.387 . . . . . . A 58 THR CB . 19152 1 683 . 1 1 58 58 THR CG2 C 13 22.246 . . . . . . A 58 THR CG2 . 19152 1 684 . 1 1 58 58 THR N N 15 108.858 . . . . . . A 58 THR N . 19152 1 685 . 1 1 59 59 THR H H 1 8.799 . . . . . . A 59 THR H . 19152 1 686 . 1 1 59 59 THR HA H 1 3.349 . . . . . . A 59 THR HA . 19152 1 687 . 1 1 59 59 THR HB H 1 3.525 . . . . . . A 59 THR HB . 19152 1 688 . 1 1 59 59 THR HG21 H 1 0.738 . . . . . . A 59 THR HG21 . 19152 1 689 . 1 1 59 59 THR HG22 H 1 0.738 . . . . . . A 59 THR HG22 . 19152 1 690 . 1 1 59 59 THR HG23 H 1 0.738 . . . . . . A 59 THR HG23 . 19152 1 691 . 1 1 59 59 THR C C 13 172.660 . . . . . . A 59 THR C . 19152 1 692 . 1 1 59 59 THR CA C 13 58.528 . . . . . . A 59 THR CA . 19152 1 693 . 1 1 59 59 THR CB C 13 69.981 . . . . . . A 59 THR CB . 19152 1 694 . 1 1 59 59 THR CG2 C 13 19.798 . . . . . . A 59 THR CG2 . 19152 1 695 . 1 1 59 59 THR N N 15 122.985 . . . . . . A 59 THR N . 19152 1 696 . 1 1 60 60 GLY H H 1 8.141 . . . . . . A 60 GLY H . 19152 1 697 . 1 1 60 60 GLY HA2 H 1 4.408 . . . . . . A 60 GLY HA2 . 19152 1 698 . 1 1 60 60 GLY HA3 H 1 4.056 . . . . . . A 60 GLY HA3 . 19152 1 699 . 1 1 60 60 GLY C C 13 175.153 . . . . . . A 60 GLY C . 19152 1 700 . 1 1 60 60 GLY CA C 13 47.536 . . . . . . A 60 GLY CA . 19152 1 701 . 1 1 60 60 GLY N N 15 107.060 . . . . . . A 60 GLY N . 19152 1 702 . 1 1 61 61 GLN H H 1 8.979 . . . . . . A 61 GLN H . 19152 1 703 . 1 1 61 61 GLN HA H 1 4.443 . . . . . . A 61 GLN HA . 19152 1 704 . 1 1 61 61 GLN HB2 H 1 2.350 . . . . . . A 61 GLN HB2 . 19152 1 705 . 1 1 61 61 GLN HB3 H 1 2.217 . . . . . . A 61 GLN HB3 . 19152 1 706 . 1 1 61 61 GLN HG2 H 1 2.438 . . . . . . A 61 GLN HG2 . 19152 1 707 . 1 1 61 61 GLN HG3 H 1 2.463 . . . . . . A 61 GLN HG3 . 19152 1 708 . 1 1 61 61 GLN C C 13 175.766 . . . . . . A 61 GLN C . 19152 1 709 . 1 1 61 61 GLN CA C 13 55.634 . . . . . . A 61 GLN CA . 19152 1 710 . 1 1 61 61 GLN CB C 13 27.455 . . . . . . A 61 GLN CB . 19152 1 711 . 1 1 61 61 GLN CG C 13 34.460 . . . . . . A 61 GLN CG . 19152 1 712 . 1 1 61 61 GLN N N 15 121.782 . . . . . . A 61 GLN N . 19152 1 713 . 1 1 62 62 GLY H H 1 8.212 . . . . . . A 62 GLY H . 19152 1 714 . 1 1 62 62 GLY HA2 H 1 4.224 . . . . . . A 62 GLY HA2 . 19152 1 715 . 1 1 62 62 GLY HA3 H 1 3.546 . . . . . . A 62 GLY HA3 . 19152 1 716 . 1 1 62 62 GLY C C 13 173.048 . . . . . . A 62 GLY C . 19152 1 717 . 1 1 62 62 GLY CA C 13 46.231 . . . . . . A 62 GLY CA . 19152 1 718 . 1 1 62 62 GLY N N 15 107.952 . . . . . . A 62 GLY N . 19152 1 719 . 1 1 63 63 ASP H H 1 7.507 . . . . . . A 63 ASP HN . 19152 1 720 . 1 1 63 63 ASP HA H 1 4.626 . . . . . . A 63 ASP HA . 19152 1 721 . 1 1 63 63 ASP HB2 H 1 2.662 . . . . . . A 63 ASP HB2 . 19152 1 722 . 1 1 63 63 ASP HB3 H 1 2.320 . . . . . . A 63 ASP HB3 . 19152 1 723 . 1 1 63 63 ASP C C 13 175.914 . . . . . . A 63 ASP C . 19152 1 724 . 1 1 63 63 ASP CA C 13 53.562 . . . . . . A 63 ASP CA . 19152 1 725 . 1 1 63 63 ASP CB C 13 43.298 . . . . . . A 63 ASP CB . 19152 1 726 . 1 1 63 63 ASP N N 15 120.902 . . . . . . A 63 ASP N . 19152 1 727 . 1 1 64 64 LEU H H 1 8.228 . . . . . . A 64 LEU H . 19152 1 728 . 1 1 64 64 LEU HA H 1 4.270 . . . . . . A 64 LEU HA . 19152 1 729 . 1 1 64 64 LEU HB2 H 1 1.282 . . . . . . A 64 LEU HB2 . 19152 1 730 . 1 1 64 64 LEU HB3 H 1 1.039 . . . . . . A 64 LEU HB3 . 19152 1 731 . 1 1 64 64 LEU HG H 1 1.272 . . . . . . A 64 LEU HG . 19152 1 732 . 1 1 64 64 LEU HD11 H 1 0.045 . . . . . . A 64 LEU HD11 . 19152 1 733 . 1 1 64 64 LEU HD12 H 1 0.045 . . . . . . A 64 LEU HD12 . 19152 1 734 . 1 1 64 64 LEU HD13 H 1 0.045 . . . . . . A 64 LEU HD13 . 19152 1 735 . 1 1 64 64 LEU HD21 H 1 0.841 . . . . . . A 64 LEU HD21 . 19152 1 736 . 1 1 64 64 LEU HD22 H 1 0.841 . . . . . . A 64 LEU HD22 . 19152 1 737 . 1 1 64 64 LEU HD23 H 1 0.841 . . . . . . A 64 LEU HD23 . 19152 1 738 . 1 1 64 64 LEU C C 13 173.858 . . . . . . A 64 LEU C . 19152 1 739 . 1 1 64 64 LEU CA C 13 52.798 . . . . . . A 64 LEU CA . 19152 1 740 . 1 1 64 64 LEU CB C 13 42.116 . . . . . . A 64 LEU CB . 19152 1 741 . 1 1 64 64 LEU CG C 13 27.533 . . . . . . A 64 LEU CG . 19152 1 742 . 1 1 64 64 LEU CD1 C 13 25.728 . . . . . . A 64 LEU CD1 . 19152 1 743 . 1 1 64 64 LEU CD2 C 13 24.960 . . . . . . A 64 LEU CD2 . 19152 1 744 . 1 1 64 64 LEU N N 15 120.919 . . . . . . A 64 LEU N . 19152 1 745 . 1 1 65 65 PRO HA H 1 4.101 . . . . . . A 65 PRO HA . 19152 1 746 . 1 1 65 65 PRO HB2 H 1 1.705 . . . . . . A 65 PRO HB2 . 19152 1 747 . 1 1 65 65 PRO HB3 H 1 1.512 . . . . . . A 65 PRO HB3 . 19152 1 748 . 1 1 65 65 PRO HG2 H 1 1.560 . . . . . . A 65 PRO HG2 . 19152 1 749 . 1 1 65 65 PRO HG3 H 1 1.430 . . . . . . A 65 PRO HG3 . 19152 1 750 . 1 1 65 65 PRO HD2 H 1 3.231 . . . . . . A 65 PRO HD2 . 19152 1 751 . 1 1 65 65 PRO HD3 H 1 3.681 . . . . . . A 65 PRO HD3 . 19152 1 752 . 1 1 65 65 PRO C C 13 176.766 . . . . . . A 65 PRO C . 19152 1 753 . 1 1 65 65 PRO CA C 13 62.595 . . . . . . A 65 PRO CA . 19152 1 754 . 1 1 65 65 PRO CB C 13 32.509 . . . . . . A 65 PRO CB . 19152 1 755 . 1 1 65 65 PRO CG C 13 28.178 . . . . . . A 65 PRO CG . 19152 1 756 . 1 1 65 65 PRO CD C 13 50.456 . . . . . . A 65 PRO CD . 19152 1 757 . 1 1 66 66 ASP H H 1 8.259 . . . . . . A 66 ASP HN . 19152 1 758 . 1 1 66 66 ASP HA H 1 4.163 . . . . . . A 66 ASP HA . 19152 1 759 . 1 1 66 66 ASP HB2 H 1 2.633 . . . . . . A 66 ASP HB2 . 19152 1 760 . 1 1 66 66 ASP HB3 H 1 2.582 . . . . . . A 66 ASP HB3 . 19152 1 761 . 1 1 66 66 ASP C C 13 178.411 . . . . . . A 66 ASP C . 19152 1 762 . 1 1 66 66 ASP CA C 13 57.800 . . . . . . A 66 ASP CA . 19152 1 763 . 1 1 66 66 ASP CB C 13 40.476 . . . . . . A 66 ASP CB . 19152 1 764 . 1 1 66 66 ASP N N 15 122.708 . . . . . . A 66 ASP N . 19152 1 765 . 1 1 67 67 SER H H 1 8.516 . . . . . . A 67 SER H . 19152 1 766 . 1 1 67 67 SER HA H 1 4.295 . . . . . . A 67 SER HA . 19152 1 767 . 1 1 67 67 SER HB2 H 1 4.567 . . . . . . A 67 SER HB2 . 19152 1 768 . 1 1 67 67 SER HB3 H 1 4.192 . . . . . . A 67 SER HB3 . 19152 1 769 . 1 1 67 67 SER C C 13 175.629 . . . . . . A 67 SER C . 19152 1 770 . 1 1 67 67 SER CA C 13 60.793 . . . . . . A 67 SER CA . 19152 1 771 . 1 1 67 67 SER CB C 13 64.140 . . . . . . A 67 SER CB . 19152 1 772 . 1 1 67 67 SER N N 15 112.123 . . . . . . A 67 SER N . 19152 1 773 . 1 1 68 68 ILE H H 1 7.964 . . . . . . A 68 ILE H . 19152 1 774 . 1 1 68 68 ILE HA H 1 5.116 . . . . . . A 68 ILE HA . 19152 1 775 . 1 1 68 68 ILE HB H 1 1.680 . . . . . . A 68 ILE HB . 19152 1 776 . 1 1 68 68 ILE HG12 H 1 2.014 . . . . . . A 68 ILE HG12 . 19152 1 777 . 1 1 68 68 ILE HG13 H 1 1.756 . . . . . . A 68 ILE HG13 . 19152 1 778 . 1 1 68 68 ILE HG21 H 1 1.155 . . . . . . A 68 ILE HG21 . 19152 1 779 . 1 1 68 68 ILE HG22 H 1 1.155 . . . . . . A 68 ILE HG22 . 19152 1 780 . 1 1 68 68 ILE HG23 H 1 1.155 . . . . . . A 68 ILE HG23 . 19152 1 781 . 1 1 68 68 ILE HD11 H 1 0.597 . . . . . . A 68 ILE HD11 . 19152 1 782 . 1 1 68 68 ILE HD12 H 1 0.597 . . . . . . A 68 ILE HD12 . 19152 1 783 . 1 1 68 68 ILE HD13 H 1 0.597 . . . . . . A 68 ILE HD13 . 19152 1 784 . 1 1 68 68 ILE C C 13 174.838 . . . . . . A 68 ILE C . 19152 1 785 . 1 1 68 68 ILE CA C 13 60.748 . . . . . . A 68 ILE CA . 19152 1 786 . 1 1 68 68 ILE CB C 13 43.018 . . . . . . A 68 ILE CB . 19152 1 787 . 1 1 68 68 ILE CG1 C 13 33.589 . . . . . . A 68 ILE CG1 . 19152 1 788 . 1 1 68 68 ILE CG2 C 13 16.346 . . . . . . A 68 ILE CG2 . 19152 1 789 . 1 1 68 68 ILE CD1 C 13 13.869 . . . . . . A 68 ILE CD1 . 19152 1 790 . 1 1 68 68 ILE N N 15 121.520 . . . . . . A 68 ILE N . 19152 1 791 . 1 1 69 69 VAL H H 1 7.385 . . . . . . A 69 VAL H . 19152 1 792 . 1 1 69 69 VAL HA H 1 3.690 . . . . . . A 69 VAL HA . 19152 1 793 . 1 1 69 69 VAL HB H 1 2.247 . . . . . . A 69 VAL HB . 19152 1 794 . 1 1 69 69 VAL HG11 H 1 0.939 . . . . . . A 69 VAL HG11 . 19152 1 795 . 1 1 69 69 VAL HG12 H 1 0.939 . . . . . . A 69 VAL HG12 . 19152 1 796 . 1 1 69 69 VAL HG13 H 1 0.939 . . . . . . A 69 VAL HG13 . 19152 1 797 . 1 1 69 69 VAL HG21 H 1 0.945 . . . . . . A 69 VAL HG21 . 19152 1 798 . 1 1 69 69 VAL HG22 H 1 0.945 . . . . . . A 69 VAL HG22 . 19152 1 799 . 1 1 69 69 VAL HG23 H 1 0.945 . . . . . . A 69 VAL HG23 . 19152 1 800 . 1 1 69 69 VAL C C 13 174.622 . . . . . . A 69 VAL C . 19152 1 801 . 1 1 69 69 VAL CA C 13 68.856 . . . . . . A 69 VAL CA . 19152 1 802 . 1 1 69 69 VAL CB C 13 29.982 . . . . . . A 69 VAL CB . 19152 1 803 . 1 1 69 69 VAL CG1 C 13 21.424 . . . . . . A 69 VAL CG1 . 19152 1 804 . 1 1 69 69 VAL CG2 C 13 24.992 . . . . . . A 69 VAL CG2 . 19152 1 805 . 1 1 69 69 VAL N N 15 126.643 . . . . . . A 69 VAL N . 19152 1 806 . 1 1 70 70 PRO HA H 1 4.278 . . . . . . A 70 PRO HA . 19152 1 807 . 1 1 70 70 PRO HB2 H 1 2.349 . . . . . . A 70 PRO HB2 . 19152 1 808 . 1 1 70 70 PRO HB3 H 1 1.963 . . . . . . A 70 PRO HB3 . 19152 1 809 . 1 1 70 70 PRO HG2 H 1 2.226 . . . . . . A 70 PRO HG2 . 19152 1 810 . 1 1 70 70 PRO HG3 H 1 1.908 . . . . . . A 70 PRO HG3 . 19152 1 811 . 1 1 70 70 PRO HD2 H 1 3.880 . . . . . . A 70 PRO HD2 . 19152 1 812 . 1 1 70 70 PRO HD3 H 1 3.650 . . . . . . A 70 PRO HD3 . 19152 1 813 . 1 1 70 70 PRO C C 13 180.963 . . . . . . A 70 PRO C . 19152 1 814 . 1 1 70 70 PRO CA C 13 66.590 . . . . . . A 70 PRO CA . 19152 1 815 . 1 1 70 70 PRO CB C 13 30.902 . . . . . . A 70 PRO CB . 19152 1 816 . 1 1 70 70 PRO CG C 13 28.785 . . . . . . A 70 PRO CG . 19152 1 817 . 1 1 70 70 PRO CD C 13 50.000 . . . . . . A 70 PRO CD . 19152 1 818 . 1 1 71 71 LEU H H 1 7.927 . . . . . . A 71 LEU H . 19152 1 819 . 1 1 71 71 LEU HA H 1 3.817 . . . . . . A 71 LEU HA . 19152 1 820 . 1 1 71 71 LEU HB2 H 1 2.036 . . . . . . A 71 LEU HB2 . 19152 1 821 . 1 1 71 71 LEU HB3 H 1 1.321 . . . . . . A 71 LEU HB3 . 19152 1 822 . 1 1 71 71 LEU HG H 1 1.110 . . . . . . A 71 LEU HG . 19152 1 823 . 1 1 71 71 LEU HD11 H 1 0.470 . . . . . . A 71 LEU HD11 . 19152 1 824 . 1 1 71 71 LEU HD12 H 1 0.470 . . . . . . A 71 LEU HD12 . 19152 1 825 . 1 1 71 71 LEU HD13 H 1 0.470 . . . . . . A 71 LEU HD13 . 19152 1 826 . 1 1 71 71 LEU HD21 H 1 0.890 . . . . . . A 71 LEU HD21 . 19152 1 827 . 1 1 71 71 LEU HD22 H 1 0.890 . . . . . . A 71 LEU HD22 . 19152 1 828 . 1 1 71 71 LEU HD23 H 1 0.890 . . . . . . A 71 LEU HD23 . 19152 1 829 . 1 1 71 71 LEU C C 13 176.465 . . . . . . A 71 LEU C . 19152 1 830 . 1 1 71 71 LEU CA C 13 158.320 . . . . . . A 71 LEU CA . 19152 1 831 . 1 1 71 71 LEU CB C 13 41.354 . . . . . . A 71 LEU CB . 19152 1 832 . 1 1 71 71 LEU CG C 13 27.000 . . . . . . A 71 LEU CG . 19152 1 833 . 1 1 71 71 LEU CD1 C 13 22.309 . . . . . . A 71 LEU CD1 . 19152 1 834 . 1 1 71 71 LEU CD2 C 13 25.637 . . . . . . A 71 LEU CD2 . 19152 1 835 . 1 1 71 71 LEU N N 15 119.953 . . . . . . A 71 LEU N . 19152 1 836 . 1 1 72 72 PHE H H 1 7.990 . . . . . . A 72 PHE H . 19152 1 837 . 1 1 72 72 PHE HA H 1 3.179 . . . . . . A 72 PHE HA . 19152 1 838 . 1 1 72 72 PHE HB2 H 1 3.008 . . . . . . A 72 PHE HB2 . 19152 1 839 . 1 1 72 72 PHE HB3 H 1 2.589 . . . . . . A 72 PHE HB3 . 19152 1 840 . 1 1 72 72 PHE HD2 H 1 6.101 . . . . . . A 72 PHE HD2 . 19152 1 841 . 1 1 72 72 PHE HE2 H 1 7.013 . . . . . . A 72 PHE HE2 . 19152 1 842 . 1 1 72 72 PHE C C 13 176.121 . . . . . . A 72 PHE C . 19152 1 843 . 1 1 72 72 PHE CA C 13 62.036 . . . . . . A 72 PHE CA . 19152 1 844 . 1 1 72 72 PHE CB C 13 39.907 . . . . . . A 72 PHE CB . 19152 1 845 . 1 1 72 72 PHE CD2 C 13 131.669 . . . . . . A 72 PHE CD2 . 19152 1 846 . 1 1 72 72 PHE CE2 C 13 131.198 . . . . . . A 72 PHE CE2 . 19152 1 847 . 1 1 72 72 PHE N N 15 120.155 . . . . . . A 72 PHE N . 19152 1 848 . 1 1 73 73 GLN H H 1 9.016 . . . . . . A 73 GLN H . 19152 1 849 . 1 1 73 73 GLN HA H 1 3.539 . . . . . . A 73 GLN HA . 19152 1 850 . 1 1 73 73 GLN HB2 H 1 2.058 . . . . . . A 73 GLN HB2 . 19152 1 851 . 1 1 73 73 GLN HB3 H 1 1.981 . . . . . . A 73 GLN HB3 . 19152 1 852 . 1 1 73 73 GLN HG2 H 1 2.530 . . . . . . A 73 GLN HG2 . 19152 1 853 . 1 1 73 73 GLN HG3 H 1 2.352 . . . . . . A 73 GLN HG3 . 19152 1 854 . 1 1 73 73 GLN HE21 H 1 7.682 . . . . . . A 73 GLN HE21 . 19152 1 855 . 1 1 73 73 GLN HE22 H 1 6.765 . . . . . . A 73 GLN HE22 . 19152 1 856 . 1 1 73 73 GLN C C 13 177.978 . . . . . . A 73 GLN C . 19152 1 857 . 1 1 73 73 GLN CA C 13 58.269 . . . . . . A 73 GLN CA . 19152 1 858 . 1 1 73 73 GLN CB C 13 28.275 . . . . . . A 73 GLN CB . 19152 1 859 . 1 1 73 73 GLN CG C 13 33.966 . . . . . . A 73 GLN CG . 19152 1 860 . 1 1 73 73 GLN N N 15 116.352 . . . . . . A 73 GLN N . 19152 1 861 . 1 1 73 73 GLN NE2 N 15 113.509 . . . . . . A 73 GLN NE2 . 19152 1 862 . 1 1 74 74 GLY H H 1 8.024 . . . . . . A 74 GLY H . 19152 1 863 . 1 1 74 74 GLY HA2 H 1 3.910 . . . . . . A 74 GLY HA2 . 19152 1 864 . 1 1 74 74 GLY HA3 H 1 3.472 . . . . . . A 74 GLY HA3 . 19152 1 865 . 1 1 74 74 GLY C C 13 175.863 . . . . . . A 74 GLY C . 19152 1 866 . 1 1 74 74 GLY CA C 13 47.371 . . . . . . A 74 GLY CA . 19152 1 867 . 1 1 74 74 GLY N N 15 107.774 . . . . . . A 74 GLY N . 19152 1 868 . 1 1 75 75 ILE H H 1 8.212 . . . . . . A 75 ILE H . 19152 1 869 . 1 1 75 75 ILE HA H 1 3.050 . . . . . . A 75 ILE HA . 19152 1 870 . 1 1 75 75 ILE HB H 1 1.123 . . . . . . A 75 ILE HB . 19152 1 871 . 1 1 75 75 ILE HG12 H 1 0.962 . . . . . . A 75 ILE HG12 . 19152 1 872 . 1 1 75 75 ILE HG13 H 1 -0.548 . . . . . . A 75 ILE HG13 . 19152 1 873 . 1 1 75 75 ILE HG21 H 1 0.253 . . . . . . A 75 ILE HG21 . 19152 1 874 . 1 1 75 75 ILE HG22 H 1 0.253 . . . . . . A 75 ILE HG22 . 19152 1 875 . 1 1 75 75 ILE HG23 H 1 0.253 . . . . . . A 75 ILE HG23 . 19152 1 876 . 1 1 75 75 ILE HD11 H 1 -0.788 . . . . . . A 75 ILE HD11 . 19152 1 877 . 1 1 75 75 ILE HD12 H 1 -0.788 . . . . . . A 75 ILE HD12 . 19152 1 878 . 1 1 75 75 ILE HD13 H 1 -0.788 . . . . . . A 75 ILE HD13 . 19152 1 879 . 1 1 75 75 ILE C C 13 178.632 . . . . . . A 75 ILE C . 19152 1 880 . 1 1 75 75 ILE CA C 13 65.480 . . . . . . A 75 ILE CA . 19152 1 881 . 1 1 75 75 ILE CB C 13 38.040 . . . . . . A 75 ILE CB . 19152 1 882 . 1 1 75 75 ILE CG1 C 13 28.089 . . . . . . A 75 ILE CG1 . 19152 1 883 . 1 1 75 75 ILE CG2 C 13 17.478 . . . . . . A 75 ILE CG2 . 19152 1 884 . 1 1 75 75 ILE CD1 C 13 13.096 . . . . . . A 75 ILE CD1 . 19152 1 885 . 1 1 75 75 ILE N N 15 124.254 . . . . . . A 75 ILE N . 19152 1 886 . 1 1 76 76 LYS H H 1 7.612 . . . . . . A 76 LYS HN . 19152 1 887 . 1 1 76 76 LYS HA H 1 3.304 . . . . . . A 76 LYS HA . 19152 1 888 . 1 1 76 76 LYS HB2 H 1 1.552 . . . . . . A 76 LYS HB2 . 19152 1 889 . 1 1 76 76 LYS HB3 H 1 1.118 . . . . . . A 76 LYS HB3 . 19152 1 890 . 1 1 76 76 LYS HG2 H 1 1.160 . . . . . . A 76 LYS HG2 . 19152 1 891 . 1 1 76 76 LYS HG3 H 1 1.059 . . . . . . A 76 LYS HG3 . 19152 1 892 . 1 1 76 76 LYS HD2 H 1 1.405 . . . . . . A 76 LYS HD2 . 19152 1 893 . 1 1 76 76 LYS HD3 H 1 1.374 . . . . . . A 76 LYS HD3 . 19152 1 894 . 1 1 76 76 LYS HE2 H 1 2.869 . . . . . . A 76 LYS HE2 . 19152 1 895 . 1 1 76 76 LYS HE3 H 1 2.800 . . . . . . A 76 LYS HE3 . 19152 1 896 . 1 1 76 76 LYS C C 13 177.897 . . . . . . A 76 LYS C . 19152 1 897 . 1 1 76 76 LYS CA C 13 59.880 . . . . . . A 76 LYS CA . 19152 1 898 . 1 1 76 76 LYS CB C 13 32.340 . . . . . . A 76 LYS CB . 19152 1 899 . 1 1 76 76 LYS CG C 13 24.224 . . . . . . A 76 LYS CG . 19152 1 900 . 1 1 76 76 LYS CD C 13 29.497 . . . . . . A 76 LYS CD . 19152 1 901 . 1 1 76 76 LYS CE C 13 41.782 . . . . . . A 76 LYS CE . 19152 1 902 . 1 1 76 76 LYS N N 15 119.953 . . . . . . A 76 LYS N . 19152 1 903 . 1 1 77 77 ASP H H 1 8.484 . . . . . . A 77 ASP HN . 19152 1 904 . 1 1 77 77 ASP HA H 1 4.485 . . . . . . A 77 ASP HA . 19152 1 905 . 1 1 77 77 ASP HB2 H 1 2.667 . . . . . . A 77 ASP HB2 . 19152 1 906 . 1 1 77 77 ASP HB3 H 1 2.547 . . . . . . A 77 ASP HB3 . 19152 1 907 . 1 1 77 77 ASP C C 13 178.849 . . . . . . A 77 ASP C . 19152 1 908 . 1 1 77 77 ASP CA C 13 56.370 . . . . . . A 77 ASP CA . 19152 1 909 . 1 1 77 77 ASP CB C 13 41.310 . . . . . . A 77 ASP CB . 19152 1 910 . 1 1 77 77 ASP N N 15 115.846 . . . . . . A 77 ASP N . 19152 1 911 . 1 1 78 78 SER H H 1 8.277 . . . . . . A 78 SER H . 19152 1 912 . 1 1 78 78 SER HA H 1 4.743 . . . . . . A 78 SER HA . 19152 1 913 . 1 1 78 78 SER HB2 H 1 3.914 . . . . . . A 78 SER HB2 . 19152 1 914 . 1 1 78 78 SER HB3 H 1 3.821 . . . . . . A 78 SER HB3 . 19152 1 915 . 1 1 78 78 SER C C 13 174.649 . . . . . . A 78 SER C . 19152 1 916 . 1 1 78 78 SER CA C 13 64.730 . . . . . . A 78 SER CA . 19152 1 917 . 1 1 78 78 SER CB C 13 60.090 . . . . . . A 78 SER CB . 19152 1 918 . 1 1 78 78 SER N N 15 113.177 . . . . . . A 78 SER N . 19152 1 919 . 1 1 79 79 LEU H H 1 7.010 . . . . . . A 79 LEU H . 19152 1 920 . 1 1 79 79 LEU HA H 1 4.834 . . . . . . A 79 LEU HA . 19152 1 921 . 1 1 79 79 LEU HB2 H 1 2.203 . . . . . . A 79 LEU HB2 . 19152 1 922 . 1 1 79 79 LEU HB3 H 1 1.384 . . . . . . A 79 LEU HB3 . 19152 1 923 . 1 1 79 79 LEU HG H 1 1.484 . . . . . . A 79 LEU HG . 19152 1 924 . 1 1 79 79 LEU HD11 H 1 0.832 . . . . . . A 79 LEU HD11 . 19152 1 925 . 1 1 79 79 LEU HD12 H 1 0.832 . . . . . . A 79 LEU HD12 . 19152 1 926 . 1 1 79 79 LEU HD13 H 1 0.832 . . . . . . A 79 LEU HD13 . 19152 1 927 . 1 1 79 79 LEU HD21 H 1 0.768 . . . . . . A 79 LEU HD21 . 19152 1 928 . 1 1 79 79 LEU HD22 H 1 0.768 . . . . . . A 79 LEU HD22 . 19152 1 929 . 1 1 79 79 LEU HD23 H 1 0.768 . . . . . . A 79 LEU HD23 . 19152 1 930 . 1 1 79 79 LEU C C 13 176.270 . . . . . . A 79 LEU C . 19152 1 931 . 1 1 79 79 LEU CA C 13 54.140 . . . . . . A 79 LEU CA . 19152 1 932 . 1 1 79 79 LEU CB C 13 39.170 . . . . . . A 79 LEU CB . 19152 1 933 . 1 1 79 79 LEU CG C 13 26.760 . . . . . . A 79 LEU CG . 19152 1 934 . 1 1 79 79 LEU CD1 C 13 22.210 . . . . . . A 79 LEU CD1 . 19152 1 935 . 1 1 79 79 LEU CD2 C 13 26.502 . . . . . . A 79 LEU CD2 . 19152 1 936 . 1 1 79 79 LEU N N 15 121.498 . . . . . . A 79 LEU N . 19152 1 937 . 1 1 80 80 GLY H H 1 7.500 . . . . . . A 80 GLY H . 19152 1 938 . 1 1 80 80 GLY HA2 H 1 4.519 . . . . . . A 80 GLY HA2 . 19152 1 939 . 1 1 80 80 GLY HA3 H 1 3.440 . . . . . . A 80 GLY HA3 . 19152 1 940 . 1 1 80 80 GLY C C 13 173.710 . . . . . . A 80 GLY C . 19152 1 941 . 1 1 80 80 GLY CA C 13 46.360 . . . . . . A 80 GLY CA . 19152 1 942 . 1 1 80 80 GLY N N 15 109.713 . . . . . . A 80 GLY N . 19152 1 943 . 1 1 81 81 PHE H H 1 8.005 . . . . . . A 81 PHE H . 19152 1 944 . 1 1 81 81 PHE HA H 1 5.052 . . . . . . A 81 PHE HA . 19152 1 945 . 1 1 81 81 PHE HB2 H 1 2.954 . . . . . . A 81 PHE HB2 . 19152 1 946 . 1 1 81 81 PHE HD1 H 1 7.290 . . . . . . A 81 PHE HD1 . 19152 1 947 . 1 1 81 81 PHE HE1 H 1 7.415 . . . . . . A 81 PHE HE1 . 19152 1 948 . 1 1 81 81 PHE C C 13 174.406 . . . . . . A 81 PHE C . 19152 1 949 . 1 1 81 81 PHE CA C 13 57.290 . . . . . . A 81 PHE CA . 19152 1 950 . 1 1 81 81 PHE CB C 13 40.680 . . . . . . A 81 PHE CB . 19152 1 951 . 1 1 81 81 PHE CD1 C 13 131.690 . . . . . . A 81 PHE CD1 . 19152 1 952 . 1 1 81 81 PHE CE1 C 13 131.690 . . . . . . A 81 PHE CE1 . 19152 1 953 . 1 1 81 81 PHE N N 15 122.163 . . . . . . A 81 PHE N . 19152 1 954 . 1 1 82 82 GLN H H 1 9.563 . . . . . . A 82 GLN H . 19152 1 955 . 1 1 82 82 GLN HA H 1 4.886 . . . . . . A 82 GLN HA . 19152 1 956 . 1 1 82 82 GLN HB2 H 1 2.437 . . . . . . A 82 GLN HB2 . 19152 1 957 . 1 1 82 82 GLN HB3 H 1 1.789 . . . . . . A 82 GLN HB3 . 19152 1 958 . 1 1 82 82 GLN HG2 H 1 2.368 . . . . . . A 82 GLN HG2 . 19152 1 959 . 1 1 82 82 GLN HG3 H 1 2.233 . . . . . . A 82 GLN HG3 . 19152 1 960 . 1 1 82 82 GLN C C 13 172.761 . . . . . . A 82 GLN C . 19152 1 961 . 1 1 82 82 GLN CA C 13 54.270 . . . . . . A 82 GLN CA . 19152 1 962 . 1 1 82 82 GLN CB C 13 32.570 . . . . . . A 82 GLN CB . 19152 1 963 . 1 1 82 82 GLN CG C 13 35.267 . . . . . . A 82 GLN CG . 19152 1 964 . 1 1 82 82 GLN N N 15 126.999 . . . . . . A 82 GLN N . 19152 1 965 . 1 1 83 83 PRO HA H 1 4.374 . . . . . . A 83 PRO HA . 19152 1 966 . 1 1 83 83 PRO HB2 H 1 1.784 . . . . . . A 83 PRO HB2 . 19152 1 967 . 1 1 83 83 PRO HB3 H 1 1.638 . . . . . . A 83 PRO HB3 . 19152 1 968 . 1 1 83 83 PRO HG2 H 1 1.500 . . . . . . A 83 PRO HG2 . 19152 1 969 . 1 1 83 83 PRO HD2 H 1 1.600 . . . . . . A 83 PRO HD2 . 19152 1 970 . 1 1 83 83 PRO HD3 H 1 3.049 . . . . . . A 83 PRO HD3 . 19152 1 971 . 1 1 83 83 PRO C C 13 178.201 . . . . . . A 83 PRO C . 19152 1 972 . 1 1 83 83 PRO CA C 13 63.796 . . . . . . A 83 PRO CA . 19152 1 973 . 1 1 83 83 PRO CB C 13 31.883 . . . . . . A 83 PRO CB . 19152 1 974 . 1 1 83 83 PRO CG C 13 26.860 . . . . . . A 83 PRO CG . 19152 1 975 . 1 1 83 83 PRO CD C 13 49.000 . . . . . . A 83 PRO CD . 19152 1 976 . 1 1 84 84 ASN H H 1 8.535 . . . . . . A 84 ASN H . 19152 1 977 . 1 1 84 84 ASN HA H 1 4.782 . . . . . . A 84 ASN HA . 19152 1 978 . 1 1 84 84 ASN HB2 H 1 3.008 . . . . . . A 84 ASN HB2 . 19152 1 979 . 1 1 84 84 ASN HB3 H 1 2.717 . . . . . . A 84 ASN HB3 . 19152 1 980 . 1 1 84 84 ASN HD21 H 1 6.931 . . . . . . A 84 ASN HD21 . 19152 1 981 . 1 1 84 84 ASN HD22 H 1 7.626 . . . . . . A 84 ASN HD22 . 19152 1 982 . 1 1 84 84 ASN C C 13 173.437 . . . . . . A 84 ASN C . 19152 1 983 . 1 1 84 84 ASN CA C 13 52.580 . . . . . . A 84 ASN CA . 19152 1 984 . 1 1 84 84 ASN CB C 13 39.390 . . . . . . A 84 ASN CB . 19152 1 985 . 1 1 84 84 ASN N N 15 117.556 . . . . . . A 84 ASN N . 19152 1 986 . 1 1 84 84 ASN ND2 N 15 114.760 . . . . . . A 84 ASN ND2 . 19152 1 987 . 1 1 85 85 LEU H H 1 7.241 . . . . . . A 85 LEU H . 19152 1 988 . 1 1 85 85 LEU HA H 1 4.041 . . . . . . A 85 LEU HA . 19152 1 989 . 1 1 85 85 LEU HB2 H 1 2.042 . . . . . . A 85 LEU HB2 . 19152 1 990 . 1 1 85 85 LEU HB3 H 1 1.646 . . . . . . A 85 LEU HB3 . 19152 1 991 . 1 1 85 85 LEU HG H 1 1.300 . . . . . . A 85 LEU HG . 19152 1 992 . 1 1 85 85 LEU HD11 H 1 0.777 . . . . . . A 85 LEU HD11 . 19152 1 993 . 1 1 85 85 LEU HD12 H 1 0.777 . . . . . . A 85 LEU HD12 . 19152 1 994 . 1 1 85 85 LEU HD13 H 1 0.777 . . . . . . A 85 LEU HD13 . 19152 1 995 . 1 1 85 85 LEU HD21 H 1 0.932 . . . . . . A 85 LEU HD21 . 19152 1 996 . 1 1 85 85 LEU HD22 H 1 0.932 . . . . . . A 85 LEU HD22 . 19152 1 997 . 1 1 85 85 LEU HD23 H 1 0.932 . . . . . . A 85 LEU HD23 . 19152 1 998 . 1 1 85 85 LEU C C 13 175.826 . . . . . . A 85 LEU C . 19152 1 999 . 1 1 85 85 LEU CA C 13 55.888 . . . . . . A 85 LEU CA . 19152 1 1000 . 1 1 85 85 LEU CB C 13 42.451 . . . . . . A 85 LEU CB . 19152 1 1001 . 1 1 85 85 LEU CG C 13 27.533 . . . . . . A 85 LEU CG . 19152 1 1002 . 1 1 85 85 LEU CD1 C 13 24.365 . . . . . . A 85 LEU CD1 . 19152 1 1003 . 1 1 85 85 LEU CD2 C 13 27.000 . . . . . . A 85 LEU CD2 . 19152 1 1004 . 1 1 85 85 LEU N N 15 125.064 . . . . . . A 85 LEU N . 19152 1 1005 . 1 1 86 86 ARG H H 1 7.694 . . . . . . A 86 ARG HN . 19152 1 1006 . 1 1 86 86 ARG HA H 1 5.776 . . . . . . A 86 ARG HA . 19152 1 1007 . 1 1 86 86 ARG HB2 H 1 1.561 . . . . . . A 86 ARG HB2 . 19152 1 1008 . 1 1 86 86 ARG HB3 H 1 1.328 . . . . . . A 86 ARG HB3 . 19152 1 1009 . 1 1 86 86 ARG HG2 H 1 1.621 . . . . . . A 86 ARG HG2 . 19152 1 1010 . 1 1 86 86 ARG HG3 H 1 1.403 . . . . . . A 86 ARG HG3 . 19152 1 1011 . 1 1 86 86 ARG HD2 H 1 2.940 . . . . . . A 86 ARG HD2 . 19152 1 1012 . 1 1 86 86 ARG HE H 1 6.706 . . . . . . A 86 ARG HE . 19152 1 1013 . 1 1 86 86 ARG C C 13 175.521 . . . . . . A 86 ARG C . 19152 1 1014 . 1 1 86 86 ARG CA C 13 54.547 . . . . . . A 86 ARG CA . 19152 1 1015 . 1 1 86 86 ARG CB C 13 32.947 . . . . . . A 86 ARG CB . 19152 1 1016 . 1 1 86 86 ARG CG C 13 28.099 . . . . . . A 86 ARG CG . 19152 1 1017 . 1 1 86 86 ARG CD C 13 42.095 . . . . . . A 86 ARG CD . 19152 1 1018 . 1 1 86 86 ARG N N 15 129.319 . . . . . . A 86 ARG N . 19152 1 1019 . 1 1 86 86 ARG NE N 15 113.850 . . . . . . A 86 ARG NE . 19152 1 1020 . 1 1 87 87 TYR H H 1 8.870 . . . . . . A 87 TYR H . 19152 1 1021 . 1 1 87 87 TYR HA H 1 6.749 . . . . . . A 87 TYR HA . 19152 1 1022 . 1 1 87 87 TYR HB2 H 1 2.580 . . . . . . A 87 TYR HB2 . 19152 1 1023 . 1 1 87 87 TYR HB3 H 1 3.017 . . . . . . A 87 TYR HB3 . 19152 1 1024 . 1 1 87 87 TYR HD1 H 1 6.704 . . . . . . A 87 TYR HD1 . 19152 1 1025 . 1 1 87 87 TYR HE1 H 1 6.750 . . . . . . A 87 TYR HE1 . 19152 1 1026 . 1 1 87 87 TYR C C 13 172.904 . . . . . . A 87 TYR C . 19152 1 1027 . 1 1 87 87 TYR CA C 13 55.258 . . . . . . A 87 TYR CA . 19152 1 1028 . 1 1 87 87 TYR CB C 13 44.978 . . . . . . A 87 TYR CB . 19152 1 1029 . 1 1 87 87 TYR CD1 C 13 133.308 . . . . . . A 87 TYR CD1 . 19152 1 1030 . 1 1 87 87 TYR CE1 C 13 115.256 . . . . . . A 87 TYR CE1 . 19152 1 1031 . 1 1 87 87 TYR N N 15 118.245 . . . . . . A 87 TYR N . 19152 1 1032 . 1 1 88 88 GLY H H 1 8.960 . . . . . . A 88 GLY H . 19152 1 1033 . 1 1 88 88 GLY HA2 H 1 5.085 . . . . . . A 88 GLY HA2 . 19152 1 1034 . 1 1 88 88 GLY HA3 H 1 3.513 . . . . . . A 88 GLY HA3 . 19152 1 1035 . 1 1 88 88 GLY C C 13 172.706 . . . . . . A 88 GLY C . 19152 1 1036 . 1 1 88 88 GLY CA C 13 43.718 . . . . . . A 88 GLY CA . 19152 1 1037 . 1 1 88 88 GLY N N 15 108.645 . . . . . . A 88 GLY N . 19152 1 1038 . 1 1 89 89 VAL H H 1 7.542 . . . . . . A 89 VAL H . 19152 1 1039 . 1 1 89 89 VAL HA H 1 5.062 . . . . . . A 89 VAL HA . 19152 1 1040 . 1 1 89 89 VAL HB H 1 1.816 . . . . . . A 89 VAL HB . 19152 1 1041 . 1 1 89 89 VAL HG11 H 1 1.118 . . . . . . A 89 VAL HG11 . 19152 1 1042 . 1 1 89 89 VAL HG12 H 1 1.118 . . . . . . A 89 VAL HG12 . 19152 1 1043 . 1 1 89 89 VAL HG13 H 1 1.118 . . . . . . A 89 VAL HG13 . 19152 1 1044 . 1 1 89 89 VAL HG21 H 1 0.784 . . . . . . A 89 VAL HG21 . 19152 1 1045 . 1 1 89 89 VAL HG22 H 1 0.784 . . . . . . A 89 VAL HG22 . 19152 1 1046 . 1 1 89 89 VAL HG23 H 1 0.784 . . . . . . A 89 VAL HG23 . 19152 1 1047 . 1 1 89 89 VAL C C 13 173.120 . . . . . . A 89 VAL C . 19152 1 1048 . 1 1 89 89 VAL CA C 13 60.900 . . . . . . A 89 VAL CA . 19152 1 1049 . 1 1 89 89 VAL CB C 13 36.482 . . . . . . A 89 VAL CB . 19152 1 1050 . 1 1 89 89 VAL CG1 C 13 21.546 . . . . . . A 89 VAL CG1 . 19152 1 1051 . 1 1 89 89 VAL CG2 C 13 20.762 . . . . . . A 89 VAL CG2 . 19152 1 1052 . 1 1 89 89 VAL N N 15 118.644 . . . . . . A 89 VAL N . 19152 1 1053 . 1 1 90 90 ILE H H 1 8.791 . . . . . . A 90 ILE H . 19152 1 1054 . 1 1 90 90 ILE HA H 1 3.872 . . . . . . A 90 ILE HA . 19152 1 1055 . 1 1 90 90 ILE HB H 1 1.347 . . . . . . A 90 ILE HB . 19152 1 1056 . 1 1 90 90 ILE HG12 H 1 0.745 . . . . . . A 90 ILE HG12 . 19152 1 1057 . 1 1 90 90 ILE HG13 H 1 -0.426 . . . . . . A 90 ILE HG13 . 19152 1 1058 . 1 1 90 90 ILE HG21 H 1 0.448 . . . . . . A 90 ILE HG21 . 19152 1 1059 . 1 1 90 90 ILE HG22 H 1 0.448 . . . . . . A 90 ILE HG22 . 19152 1 1060 . 1 1 90 90 ILE HG23 H 1 0.448 . . . . . . A 90 ILE HG23 . 19152 1 1061 . 1 1 90 90 ILE HD11 H 1 0.443 . . . . . . A 90 ILE HD11 . 19152 1 1062 . 1 1 90 90 ILE HD12 H 1 0.443 . . . . . . A 90 ILE HD12 . 19152 1 1063 . 1 1 90 90 ILE HD13 H 1 0.443 . . . . . . A 90 ILE HD13 . 19152 1 1064 . 1 1 90 90 ILE C C 13 172.415 . . . . . . A 90 ILE C . 19152 1 1065 . 1 1 90 90 ILE CA C 13 60.913 . . . . . . A 90 ILE CA . 19152 1 1066 . 1 1 90 90 ILE CB C 13 39.908 . . . . . . A 90 ILE CB . 19152 1 1067 . 1 1 90 90 ILE CG1 C 13 25.766 . . . . . . A 90 ILE CG1 . 19152 1 1068 . 1 1 90 90 ILE CG2 C 13 17.640 . . . . . . A 90 ILE CG2 . 19152 1 1069 . 1 1 90 90 ILE CD1 C 13 13.869 . . . . . . A 90 ILE CD1 . 19152 1 1070 . 1 1 90 90 ILE N N 15 125.753 . . . . . . A 90 ILE N . 19152 1 1071 . 1 1 91 91 ALA H H 1 9.323 . . . . . . A 91 ALA H . 19152 1 1072 . 1 1 91 91 ALA HA H 1 5.085 . . . . . . A 91 ALA HA . 19152 1 1073 . 1 1 91 91 ALA HB1 H 1 1.248 . . . . . . A 91 ALA HB1 . 19152 1 1074 . 1 1 91 91 ALA HB2 H 1 1.248 . . . . . . A 91 ALA HB2 . 19152 1 1075 . 1 1 91 91 ALA HB3 H 1 1.248 . . . . . . A 91 ALA HB3 . 19152 1 1076 . 1 1 91 91 ALA C C 13 174.101 . . . . . . A 91 ALA C . 19152 1 1077 . 1 1 91 91 ALA CA C 13 48.820 . . . . . . A 91 ALA CA . 19152 1 1078 . 1 1 91 91 ALA CB C 13 22.050 . . . . . . A 91 ALA CB . 19152 1 1079 . 1 1 91 91 ALA N N 15 130.575 . . . . . . A 91 ALA N . 19152 1 1080 . 1 1 92 92 LEU H H 1 8.038 . . . . . . A 92 LEU H . 19152 1 1081 . 1 1 92 92 LEU HA H 1 4.746 . . . . . . A 92 LEU HA . 19152 1 1082 . 1 1 92 92 LEU HB2 H 1 2.063 . . . . . . A 92 LEU HB2 . 19152 1 1083 . 1 1 92 92 LEU HB3 H 1 1.084 . . . . . . A 92 LEU HB3 . 19152 1 1084 . 1 1 92 92 LEU HG H 1 1.702 . . . . . . A 92 LEU HG . 19152 1 1085 . 1 1 92 92 LEU HD11 H 1 0.871 . . . . . . A 92 LEU HD11 . 19152 1 1086 . 1 1 92 92 LEU HD12 H 1 0.871 . . . . . . A 92 LEU HD12 . 19152 1 1087 . 1 1 92 92 LEU HD13 H 1 0.871 . . . . . . A 92 LEU HD13 . 19152 1 1088 . 1 1 92 92 LEU HD21 H 1 0.745 . . . . . . A 92 LEU HD21 . 19152 1 1089 . 1 1 92 92 LEU HD22 H 1 0.745 . . . . . . A 92 LEU HD22 . 19152 1 1090 . 1 1 92 92 LEU HD23 H 1 0.745 . . . . . . A 92 LEU HD23 . 19152 1 1091 . 1 1 92 92 LEU C C 13 178.320 . . . . . . A 92 LEU C . 19152 1 1092 . 1 1 92 92 LEU CA C 13 56.910 . . . . . . A 92 LEU CA . 19152 1 1093 . 1 1 92 92 LEU CB C 13 43.450 . . . . . . A 92 LEU CB . 19152 1 1094 . 1 1 92 92 LEU CG C 13 32.860 . . . . . . A 92 LEU CG . 19152 1 1095 . 1 1 92 92 LEU CD1 C 13 26.502 . . . . . . A 92 LEU CD1 . 19152 1 1096 . 1 1 92 92 LEU CD2 C 13 24.778 . . . . . . A 92 LEU CD2 . 19152 1 1097 . 1 1 92 92 LEU N N 15 125.621 . . . . . . A 92 LEU N . 19152 1 1098 . 1 1 93 93 GLY H H 1 8.693 . . . . . . A 93 GLY H . 19152 1 1099 . 1 1 93 93 GLY HA2 H 1 5.266 . . . . . . A 93 GLY HA2 . 19152 1 1100 . 1 1 93 93 GLY HA3 H 1 4.412 . . . . . . A 93 GLY HA3 . 19152 1 1101 . 1 1 93 93 GLY C C 13 174.247 . . . . . . A 93 GLY C . 19152 1 1102 . 1 1 93 93 GLY CA C 13 46.810 . . . . . . A 93 GLY CA . 19152 1 1103 . 1 1 93 93 GLY N N 15 112.841 . . . . . . A 93 GLY N . 19152 1 1104 . 1 1 94 94 ASP H H 1 9.239 . . . . . . A 94 ASP HN . 19152 1 1105 . 1 1 94 94 ASP HA H 1 5.598 . . . . . . A 94 ASP HA . 19152 1 1106 . 1 1 94 94 ASP HB2 H 1 3.252 . . . . . . A 94 ASP HB2 . 19152 1 1107 . 1 1 94 94 ASP HB3 H 1 3.199 . . . . . . A 94 ASP HB3 . 19152 1 1108 . 1 1 94 94 ASP C C 13 176.405 . . . . . . A 94 ASP C . 19152 1 1109 . 1 1 94 94 ASP CA C 13 54.740 . . . . . . A 94 ASP CA . 19152 1 1110 . 1 1 94 94 ASP CB C 13 43.760 . . . . . . A 94 ASP CB . 19152 1 1111 . 1 1 94 94 ASP N N 15 123.084 . . . . . . A 94 ASP N . 19152 1 1112 . 1 1 95 95 SER H H 1 9.350 . . . . . . A 95 SER H . 19152 1 1113 . 1 1 95 95 SER HA H 1 3.913 . . . . . . A 95 SER HA . 19152 1 1114 . 1 1 95 95 SER HB2 H 1 3.713 . . . . . . A 95 SER HB2 . 19152 1 1115 . 1 1 95 95 SER HB3 H 1 2.686 . . . . . . A 95 SER HB3 . 19152 1 1116 . 1 1 95 95 SER C C 13 175.379 . . . . . . A 95 SER C . 19152 1 1117 . 1 1 95 95 SER CA C 13 60.450 . . . . . . A 95 SER CA . 19152 1 1118 . 1 1 95 95 SER CB C 13 61.450 . . . . . . A 95 SER CB . 19152 1 1119 . 1 1 95 95 SER N N 15 126.113 . . . . . . A 95 SER N . 19152 1 1120 . 1 1 96 96 SER H H 1 9.232 . . . . . . A 96 SER H . 19152 1 1121 . 1 1 96 96 SER HA H 1 4.095 . . . . . . A 96 SER HA . 19152 1 1122 . 1 1 96 96 SER HB2 H 1 3.504 . . . . . . A 96 SER HB2 . 19152 1 1123 . 1 1 96 96 SER HB3 H 1 3.299 . . . . . . A 96 SER HB3 . 19152 1 1124 . 1 1 96 96 SER C C 13 174.154 . . . . . . A 96 SER C . 19152 1 1125 . 1 1 96 96 SER CA C 13 60.532 . . . . . . A 96 SER CA . 19152 1 1126 . 1 1 96 96 SER CB C 13 62.714 . . . . . . A 96 SER CB . 19152 1 1127 . 1 1 96 96 SER N N 15 120.350 . . . . . . A 96 SER N . 19152 1 1128 . 1 1 97 97 TYR H H 1 7.867 . . . . . . A 97 TYR H . 19152 1 1129 . 1 1 97 97 TYR HA H 1 4.317 . . . . . . A 97 TYR HA . 19152 1 1130 . 1 1 97 97 TYR HB2 H 1 2.958 . . . . . . A 97 TYR HB2 . 19152 1 1131 . 1 1 97 97 TYR HB3 H 1 2.632 . . . . . . A 97 TYR HB3 . 19152 1 1132 . 1 1 97 97 TYR HD2 H 1 6.973 . . . . . . A 97 TYR HD2 . 19152 1 1133 . 1 1 97 97 TYR HE2 H 1 6.048 . . . . . . A 97 TYR HE2 . 19152 1 1134 . 1 1 97 97 TYR C C 13 175.741 . . . . . . A 97 TYR C . 19152 1 1135 . 1 1 97 97 TYR CA C 13 57.308 . . . . . . A 97 TYR CA . 19152 1 1136 . 1 1 97 97 TYR CB C 13 38.578 . . . . . . A 97 TYR CB . 19152 1 1137 . 1 1 97 97 TYR CD2 C 13 133.510 . . . . . . A 97 TYR CD2 . 19152 1 1138 . 1 1 97 97 TYR CE2 C 13 116.194 . . . . . . A 97 TYR CE2 . 19152 1 1139 . 1 1 97 97 TYR N N 15 121.261 . . . . . . A 97 TYR N . 19152 1 1140 . 1 1 98 98 VAL H H 1 8.287 . . . . . . A 98 VAL H . 19152 1 1141 . 1 1 98 98 VAL HA H 1 3.880 . . . . . . A 98 VAL HA . 19152 1 1142 . 1 1 98 98 VAL HB H 1 2.057 . . . . . . A 98 VAL HB . 19152 1 1143 . 1 1 98 98 VAL HG11 H 1 1.055 . . . . . . A 98 VAL HG11 . 19152 1 1144 . 1 1 98 98 VAL HG12 H 1 1.055 . . . . . . A 98 VAL HG12 . 19152 1 1145 . 1 1 98 98 VAL HG13 H 1 1.055 . . . . . . A 98 VAL HG13 . 19152 1 1146 . 1 1 98 98 VAL HG21 H 1 0.982 . . . . . . A 98 VAL HG21 . 19152 1 1147 . 1 1 98 98 VAL HG22 H 1 0.982 . . . . . . A 98 VAL HG22 . 19152 1 1148 . 1 1 98 98 VAL HG23 H 1 0.982 . . . . . . A 98 VAL HG23 . 19152 1 1149 . 1 1 98 98 VAL C C 13 177.551 . . . . . . A 98 VAL C . 19152 1 1150 . 1 1 98 98 VAL CA C 13 65.000 . . . . . . A 98 VAL CA . 19152 1 1151 . 1 1 98 98 VAL CB C 13 31.975 . . . . . . A 98 VAL CB . 19152 1 1152 . 1 1 98 98 VAL CG1 C 13 21.510 . . . . . . A 98 VAL CG1 . 19152 1 1153 . 1 1 98 98 VAL CG2 C 13 20.929 . . . . . . A 98 VAL CG2 . 19152 1 1154 . 1 1 98 98 VAL N N 15 119.295 . . . . . . A 98 VAL N . 19152 1 1155 . 1 1 99 99 ASN H H 1 8.312 . . . . . . A 99 ASN H . 19152 1 1156 . 1 1 99 99 ASN HA H 1 5.057 . . . . . . A 99 ASN HA . 19152 1 1157 . 1 1 99 99 ASN HB2 H 1 3.023 . . . . . . A 99 ASN HB2 . 19152 1 1158 . 1 1 99 99 ASN HB3 H 1 2.631 . . . . . . A 99 ASN HB3 . 19152 1 1159 . 1 1 99 99 ASN HD22 H 1 7.117 . . . . . . A 99 ASN HD22 . 19152 1 1160 . 1 1 99 99 ASN C C 13 177.463 . . . . . . A 99 ASN C . 19152 1 1161 . 1 1 99 99 ASN CA C 13 52.526 . . . . . . A 99 ASN CA . 19152 1 1162 . 1 1 99 99 ASN CB C 13 37.406 . . . . . . A 99 ASN CB . 19152 1 1163 . 1 1 99 99 ASN N N 15 118.985 . . . . . . A 99 ASN N . 19152 1 1164 . 1 1 99 99 ASN ND2 N 15 115.042 . . . . . . A 99 ASN ND2 . 19152 1 1165 . 1 1 100 100 PHE H H 1 8.144 . . . . . . A 100 PHE H . 19152 1 1166 . 1 1 100 100 PHE HA H 1 5.103 . . . . . . A 100 PHE HA . 19152 1 1167 . 1 1 100 100 PHE HB2 H 1 3.388 . . . . . . A 100 PHE HB2 . 19152 1 1168 . 1 1 100 100 PHE HB3 H 1 2.978 . . . . . . A 100 PHE HB3 . 19152 1 1169 . 1 1 100 100 PHE HD2 H 1 7.236 . . . . . . A 100 PHE HD2 . 19152 1 1170 . 1 1 100 100 PHE HE2 H 1 7.288 . . . . . . A 100 PHE HE2 . 19152 1 1171 . 1 1 100 100 PHE HZ H 1 7.075 . . . . . . A 100 PHE HZ . 19152 1 1172 . 1 1 100 100 PHE C C 13 175.806 . . . . . . A 100 PHE C . 19152 1 1173 . 1 1 100 100 PHE CA C 13 57.180 . . . . . . A 100 PHE CA . 19152 1 1174 . 1 1 100 100 PHE CB C 13 39.179 . . . . . . A 100 PHE CB . 19152 1 1175 . 1 1 100 100 PHE CD2 C 13 131.790 . . . . . . A 100 PHE CD2 . 19152 1 1176 . 1 1 100 100 PHE CE2 C 13 131.665 . . . . . . A 100 PHE CE2 . 19152 1 1177 . 1 1 100 100 PHE CZ C 13 130.260 . . . . . . A 100 PHE CZ . 19152 1 1178 . 1 1 100 100 PHE N N 15 127.036 . . . . . . A 100 PHE N . 19152 1 1179 . 1 1 101 101 CYS H H 1 9.459 . . . . . . A 101 CYS H . 19152 1 1180 . 1 1 101 101 CYS HA H 1 3.505 . . . . . . A 101 CYS HA . 19152 1 1181 . 1 1 101 101 CYS HB2 H 1 2.634 . . . . . . A 101 CYS HB2 . 19152 1 1182 . 1 1 101 101 CYS HB3 H 1 2.063 . . . . . . A 101 CYS HB3 . 19152 1 1183 . 1 1 101 101 CYS C C 13 175.061 . . . . . . A 101 CYS C . 19152 1 1184 . 1 1 101 101 CYS CA C 13 63.460 . . . . . . A 101 CYS CA . 19152 1 1185 . 1 1 101 101 CYS CB C 13 25.123 . . . . . . A 101 CYS CB . 19152 1 1186 . 1 1 101 101 CYS N N 15 120.536 . . . . . . A 101 CYS N . 19152 1 1187 . 1 1 102 102 ASN H H 1 7.188 . . . . . . A 102 ASN H . 19152 1 1188 . 1 1 102 102 ASN HA H 1 4.222 . . . . . . A 102 ASN HA . 19152 1 1189 . 1 1 102 102 ASN HB2 H 1 2.831 . . . . . . A 102 ASN HB2 . 19152 1 1190 . 1 1 102 102 ASN HB3 H 1 2.471 . . . . . . A 102 ASN HB3 . 19152 1 1191 . 1 1 102 102 ASN HD21 H 1 7.093 . . . . . . A 102 ASN HD21 . 19152 1 1192 . 1 1 102 102 ASN HD22 H 1 8.116 . . . . . . A 102 ASN HD22 . 19152 1 1193 . 1 1 102 102 ASN C C 13 177.024 . . . . . . A 102 ASN C . 19152 1 1194 . 1 1 102 102 ASN CA C 13 56.919 . . . . . . A 102 ASN CA . 19152 1 1195 . 1 1 102 102 ASN CB C 13 39.207 . . . . . . A 102 ASN CB . 19152 1 1196 . 1 1 102 102 ASN N N 15 115.763 . . . . . . A 102 ASN N . 19152 1 1197 . 1 1 102 102 ASN ND2 N 15 115.692 . . . . . . A 102 ASN ND2 . 19152 1 1198 . 1 1 103 103 GLY H H 1 9.310 . . . . . . A 103 GLY H . 19152 1 1199 . 1 1 103 103 GLY HA2 H 1 3.558 . . . . . . A 103 GLY HA2 . 19152 1 1200 . 1 1 103 103 GLY HA3 H 1 3.448 . . . . . . A 103 GLY HA3 . 19152 1 1201 . 1 1 103 103 GLY C C 13 174.936 . . . . . . A 103 GLY C . 19152 1 1202 . 1 1 103 103 GLY CA C 13 46.868 . . . . . . A 103 GLY CA . 19152 1 1203 . 1 1 103 103 GLY N N 15 109.259 . . . . . . A 103 GLY N . 19152 1 1204 . 1 1 104 104 GLY H H 1 6.864 . . . . . . A 104 GLY H . 19152 1 1205 . 1 1 104 104 GLY HA2 H 1 3.482 . . . . . . A 104 GLY HA2 . 19152 1 1206 . 1 1 104 104 GLY HA3 H 1 3.398 . . . . . . A 104 GLY HA3 . 19152 1 1207 . 1 1 104 104 GLY C C 13 174.918 . . . . . . A 104 GLY C . 19152 1 1208 . 1 1 104 104 GLY CA C 13 47.125 . . . . . . A 104 GLY CA . 19152 1 1209 . 1 1 104 104 GLY N N 15 107.133 . . . . . . A 104 GLY N . 19152 1 1210 . 1 1 105 105 LYS H H 1 7.785 . . . . . . A 105 LYS HN . 19152 1 1211 . 1 1 105 105 LYS HA H 1 3.909 . . . . . . A 105 LYS HA . 19152 1 1212 . 1 1 105 105 LYS HB2 H 1 1.981 . . . . . . A 105 LYS HB2 . 19152 1 1213 . 1 1 105 105 LYS HB3 H 1 1.808 . . . . . . A 105 LYS HB3 . 19152 1 1214 . 1 1 105 105 LYS HG2 H 1 1.370 . . . . . . A 105 LYS HG2 . 19152 1 1215 . 1 1 105 105 LYS HD2 H 1 1.711 . . . . . . A 105 LYS HD2 . 19152 1 1216 . 1 1 105 105 LYS HD3 H 1 1.565 . . . . . . A 105 LYS HD3 . 19152 1 1217 . 1 1 105 105 LYS HE2 H 1 2.975 . . . . . . A 105 LYS HE2 . 19152 1 1218 . 1 1 105 105 LYS HE3 H 1 2.768 . . . . . . A 105 LYS HE3 . 19152 1 1219 . 1 1 105 105 LYS C C 13 179.483 . . . . . . A 105 LYS C . 19152 1 1220 . 1 1 105 105 LYS CA C 13 60.559 . . . . . . A 105 LYS CA . 19152 1 1221 . 1 1 105 105 LYS CB C 13 32.086 . . . . . . A 105 LYS CB . 19152 1 1222 . 1 1 105 105 LYS CG C 13 25.890 . . . . . . A 105 LYS CG . 19152 1 1223 . 1 1 105 105 LYS CD C 13 29.863 . . . . . . A 105 LYS CD . 19152 1 1224 . 1 1 105 105 LYS CE C 13 42.485 . . . . . . A 105 LYS CE . 19152 1 1225 . 1 1 105 105 LYS N N 15 120.477 . . . . . . A 105 LYS N . 19152 1 1226 . 1 1 106 106 GLN H H 1 8.516 . . . . . . A 106 GLN H . 19152 1 1227 . 1 1 106 106 GLN HA H 1 4.176 . . . . . . A 106 GLN HA . 19152 1 1228 . 1 1 106 106 GLN HB2 H 1 2.117 . . . . . . A 106 GLN HB2 . 19152 1 1229 . 1 1 106 106 GLN HB3 H 1 1.971 . . . . . . A 106 GLN HB3 . 19152 1 1230 . 1 1 106 106 GLN HG2 H 1 2.410 . . . . . . A 106 GLN HG2 . 19152 1 1231 . 1 1 106 106 GLN HG3 H 1 2.335 . . . . . . A 106 GLN HG3 . 19152 1 1232 . 1 1 106 106 GLN HE21 H 1 6.512 . . . . . . A 106 GLN HE21 . 19152 1 1233 . 1 1 106 106 GLN HE22 H 1 6.760 . . . . . . A 106 GLN HE22 . 19152 1 1234 . 1 1 106 106 GLN C C 13 179.395 . . . . . . A 106 GLN C . 19152 1 1235 . 1 1 106 106 GLN CA C 13 59.116 . . . . . . A 106 GLN CA . 19152 1 1236 . 1 1 106 106 GLN CB C 13 29.337 . . . . . . A 106 GLN CB . 19152 1 1237 . 1 1 106 106 GLN CG C 13 34.750 . . . . . . A 106 GLN CG . 19152 1 1238 . 1 1 106 106 GLN N N 15 119.776 . . . . . . A 106 GLN N . 19152 1 1239 . 1 1 106 106 GLN NE2 N 15 110.902 . . . . . . A 106 GLN NE2 . 19152 1 1240 . 1 1 107 107 PHE H H 1 7.746 . . . . . . A 107 PHE H . 19152 1 1241 . 1 1 107 107 PHE HA H 1 4.212 . . . . . . A 107 PHE HA . 19152 1 1242 . 1 1 107 107 PHE HB2 H 1 3.157 . . . . . . A 107 PHE HB2 . 19152 1 1243 . 1 1 107 107 PHE HB3 H 1 2.997 . . . . . . A 107 PHE HB3 . 19152 1 1244 . 1 1 107 107 PHE HD2 H 1 7.177 . . . . . . A 107 PHE HD2 . 19152 1 1245 . 1 1 107 107 PHE HE2 H 1 7.014 . . . . . . A 107 PHE HE2 . 19152 1 1246 . 1 1 107 107 PHE HZ H 1 6.700 . . . . . . A 107 PHE HZ . 19152 1 1247 . 1 1 107 107 PHE C C 13 178.316 . . . . . . A 107 PHE C . 19152 1 1248 . 1 1 107 107 PHE CA C 13 62.570 . . . . . . A 107 PHE CA . 19152 1 1249 . 1 1 107 107 PHE CB C 13 39.919 . . . . . . A 107 PHE CB . 19152 1 1250 . 1 1 107 107 PHE CD2 C 13 131.074 . . . . . . A 107 PHE CD2 . 19152 1 1251 . 1 1 107 107 PHE CE2 C 13 131.192 . . . . . . A 107 PHE CE2 . 19152 1 1252 . 1 1 107 107 PHE CZ C 13 128.850 . . . . . . A 107 PHE CZ . 19152 1 1253 . 1 1 107 107 PHE N N 15 123.271 . . . . . . A 107 PHE N . 19152 1 1254 . 1 1 108 108 ASP H H 1 8.403 . . . . . . A 108 ASP HN . 19152 1 1255 . 1 1 108 108 ASP HA H 1 4.377 . . . . . . A 108 ASP HA . 19152 1 1256 . 1 1 108 108 ASP HB2 H 1 3.012 . . . . . . A 108 ASP HB2 . 19152 1 1257 . 1 1 108 108 ASP HB3 H 1 2.766 . . . . . . A 108 ASP HB3 . 19152 1 1258 . 1 1 108 108 ASP C C 13 177.416 . . . . . . A 108 ASP C . 19152 1 1259 . 1 1 108 108 ASP CA C 13 58.469 . . . . . . A 108 ASP CA . 19152 1 1260 . 1 1 108 108 ASP CB C 13 44.090 . . . . . . A 108 ASP CB . 19152 1 1261 . 1 1 108 108 ASP N N 15 117.940 . . . . . . A 108 ASP N . 19152 1 1262 . 1 1 109 109 ALA H H 1 8.290 . . . . . . A 109 ALA H . 19152 1 1263 . 1 1 109 109 ALA HA H 1 4.060 . . . . . . A 109 ALA HA . 19152 1 1264 . 1 1 109 109 ALA HB1 H 1 1.532 . . . . . . A 109 ALA HB1 . 19152 1 1265 . 1 1 109 109 ALA HB2 H 1 1.532 . . . . . . A 109 ALA HB2 . 19152 1 1266 . 1 1 109 109 ALA HB3 H 1 1.532 . . . . . . A 109 ALA HB3 . 19152 1 1267 . 1 1 109 109 ALA C C 13 180.599 . . . . . . A 109 ALA C . 19152 1 1268 . 1 1 109 109 ALA CA C 13 55.118 . . . . . . A 109 ALA CA . 19152 1 1269 . 1 1 109 109 ALA CB C 13 18.137 . . . . . . A 109 ALA CB . 19152 1 1270 . 1 1 109 109 ALA N N 15 118.985 . . . . . . A 109 ALA N . 19152 1 1271 . 1 1 110 110 LEU H H 1 7.749 . . . . . . A 110 LEU H . 19152 1 1272 . 1 1 110 110 LEU HA H 1 4.086 . . . . . . A 110 LEU HA . 19152 1 1273 . 1 1 110 110 LEU HB2 H 1 1.787 . . . . . . A 110 LEU HB2 . 19152 1 1274 . 1 1 110 110 LEU HB3 H 1 1.426 . . . . . . A 110 LEU HB3 . 19152 1 1275 . 1 1 110 110 LEU HG H 1 -0.241 . . . . . . A 110 LEU HG . 19152 1 1276 . 1 1 110 110 LEU HD11 H 1 0.568 . . . . . . A 110 LEU HD11 . 19152 1 1277 . 1 1 110 110 LEU HD12 H 1 0.568 . . . . . . A 110 LEU HD12 . 19152 1 1278 . 1 1 110 110 LEU HD13 H 1 0.568 . . . . . . A 110 LEU HD13 . 19152 1 1279 . 1 1 110 110 LEU HD21 H 1 0.930 . . . . . . A 110 LEU HD21 . 19152 1 1280 . 1 1 110 110 LEU HD22 H 1 0.930 . . . . . . A 110 LEU HD22 . 19152 1 1281 . 1 1 110 110 LEU HD23 H 1 0.930 . . . . . . A 110 LEU HD23 . 19152 1 1282 . 1 1 110 110 LEU C C 13 177.909 . . . . . . A 110 LEU C . 19152 1 1283 . 1 1 110 110 LEU CA C 13 57.797 . . . . . . A 110 LEU CA . 19152 1 1284 . 1 1 110 110 LEU CB C 13 41.679 . . . . . . A 110 LEU CB . 19152 1 1285 . 1 1 110 110 LEU CG C 13 26.759 . . . . . . A 110 LEU CG . 19152 1 1286 . 1 1 110 110 LEU CD1 C 13 23.263 . . . . . . A 110 LEU CD1 . 19152 1 1287 . 1 1 110 110 LEU CD2 C 13 27.000 . . . . . . A 110 LEU CD2 . 19152 1 1288 . 1 1 110 110 LEU N N 15 120.842 . . . . . . A 110 LEU N . 19152 1 1289 . 1 1 111 111 LEU H H 1 7.737 . . . . . . A 111 LEU H . 19152 1 1290 . 1 1 111 111 LEU HA H 1 3.713 . . . . . . A 111 LEU HA . 19152 1 1291 . 1 1 111 111 LEU HB2 H 1 1.336 . . . . . . A 111 LEU HB2 . 19152 1 1292 . 1 1 111 111 LEU HB3 H 1 0.606 . . . . . . A 111 LEU HB3 . 19152 1 1293 . 1 1 111 111 LEU HG H 1 1.783 . . . . . . A 111 LEU HG . 19152 1 1294 . 1 1 111 111 LEU HD11 H 1 0.595 . . . . . . A 111 LEU HD11 . 19152 1 1295 . 1 1 111 111 LEU HD12 H 1 0.595 . . . . . . A 111 LEU HD12 . 19152 1 1296 . 1 1 111 111 LEU HD13 H 1 0.595 . . . . . . A 111 LEU HD13 . 19152 1 1297 . 1 1 111 111 LEU HD21 H 1 0.296 . . . . . . A 111 LEU HD21 . 19152 1 1298 . 1 1 111 111 LEU HD22 H 1 0.296 . . . . . . A 111 LEU HD22 . 19152 1 1299 . 1 1 111 111 LEU HD23 H 1 0.296 . . . . . . A 111 LEU HD23 . 19152 1 1300 . 1 1 111 111 LEU C C 13 179.924 . . . . . . A 111 LEU C . 19152 1 1301 . 1 1 111 111 LEU CA C 13 58.212 . . . . . . A 111 LEU CA . 19152 1 1302 . 1 1 111 111 LEU CB C 13 38.962 . . . . . . A 111 LEU CB . 19152 1 1303 . 1 1 111 111 LEU CG C 13 25.743 . . . . . . A 111 LEU CG . 19152 1 1304 . 1 1 111 111 LEU CD1 C 13 21.860 . . . . . . A 111 LEU CD1 . 19152 1 1305 . 1 1 111 111 LEU CD2 C 13 24.439 . . . . . . A 111 LEU CD2 . 19152 1 1306 . 1 1 111 111 LEU N N 15 117.658 . . . . . . A 111 LEU N . 19152 1 1307 . 1 1 112 112 GLN H H 1 8.462 . . . . . . A 112 GLN H . 19152 1 1308 . 1 1 112 112 GLN HA H 1 4.142 . . . . . . A 112 GLN HA . 19152 1 1309 . 1 1 112 112 GLN HB2 H 1 2.350 . . . . . . A 112 GLN HB2 . 19152 1 1310 . 1 1 112 112 GLN HB3 H 1 2.230 . . . . . . A 112 GLN HB3 . 19152 1 1311 . 1 1 112 112 GLN HG2 H 1 2.390 . . . . . . A 112 GLN HG2 . 19152 1 1312 . 1 1 112 112 GLN HE21 H 1 7.610 . . . . . . A 112 GLN HE21 . 19152 1 1313 . 1 1 112 112 GLN HE22 H 1 8.089 . . . . . . A 112 GLN HE22 . 19152 1 1314 . 1 1 112 112 GLN C C 13 181.257 . . . . . . A 112 GLN C . 19152 1 1315 . 1 1 112 112 GLN CA C 13 58.985 . . . . . . A 112 GLN CA . 19152 1 1316 . 1 1 112 112 GLN CB C 13 29.368 . . . . . . A 112 GLN CB . 19152 1 1317 . 1 1 112 112 GLN CG C 13 35.000 . . . . . . A 112 GLN CG . 19152 1 1318 . 1 1 112 112 GLN N N 15 119.073 . . . . . . A 112 GLN N . 19152 1 1319 . 1 1 112 112 GLN NE2 N 15 117.700 . . . . . . A 112 GLN NE2 . 19152 1 1320 . 1 1 113 113 GLU H H 1 8.261 . . . . . . A 113 GLU HN . 19152 1 1321 . 1 1 113 113 GLU HA H 1 4.193 . . . . . . A 113 GLU HA . 19152 1 1322 . 1 1 113 113 GLU HB2 H 1 2.342 . . . . . . A 113 GLU HB2 . 19152 1 1323 . 1 1 113 113 GLU HG2 H 1 2.454 . . . . . . A 113 GLU HG2 . 19152 1 1324 . 1 1 113 113 GLU C C 13 178.068 . . . . . . A 113 GLU C . 19152 1 1325 . 1 1 113 113 GLU CA C 13 59.243 . . . . . . A 113 GLU CA . 19152 1 1326 . 1 1 113 113 GLU CB C 13 29.288 . . . . . . A 113 GLU CB . 19152 1 1327 . 1 1 113 113 GLU CG C 13 36.553 . . . . . . A 113 GLU CG . 19152 1 1328 . 1 1 113 113 GLU N N 15 123.470 . . . . . . A 113 GLU N . 19152 1 1329 . 1 1 114 114 GLN H H 1 7.510 . . . . . . A 114 GLN H . 19152 1 1330 . 1 1 114 114 GLN HA H 1 4.599 . . . . . . A 114 GLN HA . 19152 1 1331 . 1 1 114 114 GLN HB2 H 1 2.319 . . . . . . A 114 GLN HB2 . 19152 1 1332 . 1 1 114 114 GLN HB3 H 1 1.724 . . . . . . A 114 GLN HB3 . 19152 1 1333 . 1 1 114 114 GLN HG2 H 1 2.175 . . . . . . A 114 GLN HG2 . 19152 1 1334 . 1 1 114 114 GLN HG3 H 1 2.853 . . . . . . A 114 GLN HG3 . 19152 1 1335 . 1 1 114 114 GLN HE21 H 1 6.240 . . . . . . A 114 GLN HE21 . 19152 1 1336 . 1 1 114 114 GLN HE22 H 1 7.420 . . . . . . A 114 GLN HE22 . 19152 1 1337 . 1 1 114 114 GLN C C 13 174.545 . . . . . . A 114 GLN C . 19152 1 1338 . 1 1 114 114 GLN CA C 13 56.487 . . . . . . A 114 GLN CA . 19152 1 1339 . 1 1 114 114 GLN CB C 13 25.764 . . . . . . A 114 GLN CB . 19152 1 1340 . 1 1 114 114 GLN CG C 13 33.330 . . . . . . A 114 GLN CG . 19152 1 1341 . 1 1 114 114 GLN N N 15 117.862 . . . . . . A 114 GLN N . 19152 1 1342 . 1 1 114 114 GLN NE2 N 15 109.757 . . . . . . A 114 GLN NE2 . 19152 1 1343 . 1 1 115 115 SER H H 1 7.942 . . . . . . A 115 SER H . 19152 1 1344 . 1 1 115 115 SER HA H 1 4.193 . . . . . . A 115 SER HA . 19152 1 1345 . 1 1 115 115 SER HB2 H 1 4.288 . . . . . . A 115 SER HB2 . 19152 1 1346 . 1 1 115 115 SER C C 13 172.384 . . . . . . A 115 SER C . 19152 1 1347 . 1 1 115 115 SER CA C 13 60.405 . . . . . . A 115 SER CA . 19152 1 1348 . 1 1 115 115 SER CB C 13 61.365 . . . . . . A 115 SER CB . 19152 1 1349 . 1 1 115 115 SER N N 15 109.754 . . . . . . A 115 SER N . 19152 1 1350 . 1 1 116 116 ALA H H 1 7.798 . . . . . . A 116 ALA H . 19152 1 1351 . 1 1 116 116 ALA HA H 1 4.803 . . . . . . A 116 ALA HA . 19152 1 1352 . 1 1 116 116 ALA HB1 H 1 1.417 . . . . . . A 116 ALA HB1 . 19152 1 1353 . 1 1 116 116 ALA HB2 H 1 1.417 . . . . . . A 116 ALA HB2 . 19152 1 1354 . 1 1 116 116 ALA HB3 H 1 1.417 . . . . . . A 116 ALA HB3 . 19152 1 1355 . 1 1 116 116 ALA C C 13 176.827 . . . . . . A 116 ALA C . 19152 1 1356 . 1 1 116 116 ALA CA C 13 51.772 . . . . . . A 116 ALA CA . 19152 1 1357 . 1 1 116 116 ALA CB C 13 21.370 . . . . . . A 116 ALA CB . 19152 1 1358 . 1 1 116 116 ALA N N 15 121.647 . . . . . . A 116 ALA N . 19152 1 1359 . 1 1 117 117 GLN H H 1 8.591 . . . . . . A 117 GLN H . 19152 1 1360 . 1 1 117 117 GLN HA H 1 4.611 . . . . . . A 117 GLN HA . 19152 1 1361 . 1 1 117 117 GLN HB2 H 1 2.058 . . . . . . A 117 GLN HB2 . 19152 1 1362 . 1 1 117 117 GLN HG2 H 1 2.380 . . . . . . A 117 GLN HG2 . 19152 1 1363 . 1 1 117 117 GLN HG3 H 1 2.259 . . . . . . A 117 GLN HG3 . 19152 1 1364 . 1 1 117 117 GLN HE21 H 1 7.677 . . . . . . A 117 GLN HE21 . 19152 1 1365 . 1 1 117 117 GLN HE22 H 1 6.889 . . . . . . A 117 GLN HE22 . 19152 1 1366 . 1 1 117 117 GLN C C 13 173.863 . . . . . . A 117 GLN C . 19152 1 1367 . 1 1 117 117 GLN CA C 13 54.672 . . . . . . A 117 GLN CA . 19152 1 1368 . 1 1 117 117 GLN CB C 13 30.843 . . . . . . A 117 GLN CB . 19152 1 1369 . 1 1 117 117 GLN CG C 13 33.659 . . . . . . A 117 GLN CG . 19152 1 1370 . 1 1 117 117 GLN N N 15 118.679 . . . . . . A 117 GLN N . 19152 1 1371 . 1 1 117 117 GLN NE2 N 15 113.400 . . . . . . A 117 GLN NE2 . 19152 1 1372 . 1 1 118 118 ARG H H 1 8.682 . . . . . . A 118 ARG HN . 19152 1 1373 . 1 1 118 118 ARG HA H 1 3.359 . . . . . . A 118 ARG HA . 19152 1 1374 . 1 1 118 118 ARG HB2 H 1 1.641 . . . . . . A 118 ARG HB2 . 19152 1 1375 . 1 1 118 118 ARG HB3 H 1 1.469 . . . . . . A 118 ARG HB3 . 19152 1 1376 . 1 1 118 118 ARG HG2 H 1 1.137 . . . . . . A 118 ARG HG2 . 19152 1 1377 . 1 1 118 118 ARG HG3 H 1 1.534 . . . . . . A 118 ARG HG3 . 19152 1 1378 . 1 1 118 118 ARG HD2 H 1 3.381 . . . . . . A 118 ARG HD2 . 19152 1 1379 . 1 1 118 118 ARG HD3 H 1 3.294 . . . . . . A 118 ARG HD3 . 19152 1 1380 . 1 1 118 118 ARG HE H 1 8.302 . . . . . . A 118 ARG HE . 19152 1 1381 . 1 1 118 118 ARG C C 13 176.859 . . . . . . A 118 ARG C . 19152 1 1382 . 1 1 118 118 ARG CA C 13 56.149 . . . . . . A 118 ARG CA . 19152 1 1383 . 1 1 118 118 ARG CB C 13 30.320 . . . . . . A 118 ARG CB . 19152 1 1384 . 1 1 118 118 ARG CG C 13 28.560 . . . . . . A 118 ARG CG . 19152 1 1385 . 1 1 118 118 ARG CD C 13 43.761 . . . . . . A 118 ARG CD . 19152 1 1386 . 1 1 118 118 ARG N N 15 128.711 . . . . . . A 118 ARG N . 19152 1 1387 . 1 1 118 118 ARG NE N 15 113.682 . . . . . . A 118 ARG NE . 19152 1 1388 . 1 1 119 119 VAL H H 1 9.568 . . . . . . A 119 VAL H . 19152 1 1389 . 1 1 119 119 VAL HA H 1 4.128 . . . . . . A 119 VAL HA . 19152 1 1390 . 1 1 119 119 VAL HB H 1 1.866 . . . . . . A 119 VAL HB . 19152 1 1391 . 1 1 119 119 VAL HG11 H 1 0.460 . . . . . . A 119 VAL HG11 . 19152 1 1392 . 1 1 119 119 VAL HG12 H 1 0.460 . . . . . . A 119 VAL HG12 . 19152 1 1393 . 1 1 119 119 VAL HG13 H 1 0.460 . . . . . . A 119 VAL HG13 . 19152 1 1394 . 1 1 119 119 VAL HG21 H 1 0.962 . . . . . . A 119 VAL HG21 . 19152 1 1395 . 1 1 119 119 VAL HG22 H 1 0.962 . . . . . . A 119 VAL HG22 . 19152 1 1396 . 1 1 119 119 VAL HG23 H 1 0.962 . . . . . . A 119 VAL HG23 . 19152 1 1397 . 1 1 119 119 VAL C C 13 176.801 . . . . . . A 119 VAL C . 19152 1 1398 . 1 1 119 119 VAL CA C 13 62.278 . . . . . . A 119 VAL CA . 19152 1 1399 . 1 1 119 119 VAL CB C 13 32.689 . . . . . . A 119 VAL CB . 19152 1 1400 . 1 1 119 119 VAL CG1 C 13 21.600 . . . . . . A 119 VAL CG1 . 19152 1 1401 . 1 1 119 119 VAL CG2 C 13 21.910 . . . . . . A 119 VAL CG2 . 19152 1 1402 . 1 1 119 119 VAL N N 15 132.609 . . . . . . A 119 VAL N . 19152 1 1403 . 1 1 120 120 GLY H H 1 8.771 . . . . . . A 120 GLY H . 19152 1 1404 . 1 1 120 120 GLY HA2 H 1 4.257 . . . . . . A 120 GLY HA2 . 19152 1 1405 . 1 1 120 120 GLY HA3 H 1 3.812 . . . . . . A 120 GLY HA3 . 19152 1 1406 . 1 1 120 120 GLY C C 13 172.806 . . . . . . A 120 GLY C . 19152 1 1407 . 1 1 120 120 GLY CA C 13 44.087 . . . . . . A 120 GLY CA . 19152 1 1408 . 1 1 120 120 GLY N N 15 116.879 . . . . . . A 120 GLY N . 19152 1 1409 . 1 1 121 121 GLU H H 1 8.554 . . . . . . A 121 GLU HN . 19152 1 1410 . 1 1 121 121 GLU HA H 1 4.671 . . . . . . A 121 GLU HA . 19152 1 1411 . 1 1 121 121 GLU HB2 H 1 2.187 . . . . . . A 121 GLU HB2 . 19152 1 1412 . 1 1 121 121 GLU HB3 H 1 2.008 . . . . . . A 121 GLU HB3 . 19152 1 1413 . 1 1 121 121 GLU HG2 H 1 2.414 . . . . . . A 121 GLU HG2 . 19152 1 1414 . 1 1 121 121 GLU HG3 H 1 2.379 . . . . . . A 121 GLU HG3 . 19152 1 1415 . 1 1 121 121 GLU C C 13 177.354 . . . . . . A 121 GLU C . 19152 1 1416 . 1 1 121 121 GLU CA C 13 54.568 . . . . . . A 121 GLU CA . 19152 1 1417 . 1 1 121 121 GLU CB C 13 31.658 . . . . . . A 121 GLU CB . 19152 1 1418 . 1 1 121 121 GLU CG C 13 36.298 . . . . . . A 121 GLU CG . 19152 1 1419 . 1 1 121 121 GLU N N 15 119.353 . . . . . . A 121 GLU N . 19152 1 1420 . 1 1 122 122 MET H H 1 8.917 . . . . . . A 122 MET H . 19152 1 1421 . 1 1 122 122 MET HA H 1 4.469 . . . . . . A 122 MET HA . 19152 1 1422 . 1 1 122 122 MET HB2 H 1 1.960 . . . . . . A 122 MET HB2 . 19152 1 1423 . 1 1 122 122 MET HB3 H 1 1.865 . . . . . . A 122 MET HB3 . 19152 1 1424 . 1 1 122 122 MET HG2 H 1 2.251 . . . . . . A 122 MET HG2 . 19152 1 1425 . 1 1 122 122 MET HG3 H 1 2.131 . . . . . . A 122 MET HG3 . 19152 1 1426 . 1 1 122 122 MET HE1 H 1 1.889 . . . . . . A 122 MET HE1 . 19152 1 1427 . 1 1 122 122 MET HE2 H 1 1.889 . . . . . . A 122 MET HE2 . 19152 1 1428 . 1 1 122 122 MET HE3 H 1 1.889 . . . . . . A 122 MET HE3 . 19152 1 1429 . 1 1 122 122 MET C C 13 175.555 . . . . . . A 122 MET C . 19152 1 1430 . 1 1 122 122 MET CA C 13 56.925 . . . . . . A 122 MET CA . 19152 1 1431 . 1 1 122 122 MET CB C 13 34.256 . . . . . . A 122 MET CB . 19152 1 1432 . 1 1 122 122 MET CG C 13 30.095 . . . . . . A 122 MET CG . 19152 1 1433 . 1 1 122 122 MET CE C 13 16.189 . . . . . . A 122 MET CE . 19152 1 1434 . 1 1 122 122 MET N N 15 123.600 . . . . . . A 122 MET N . 19152 1 1435 . 1 1 123 123 LEU H H 1 7.667 . . . . . . A 123 LEU H . 19152 1 1436 . 1 1 123 123 LEU HA H 1 4.348 . . . . . . A 123 LEU HA . 19152 1 1437 . 1 1 123 123 LEU HB2 H 1 0.756 . . . . . . A 123 LEU HB2 . 19152 1 1438 . 1 1 123 123 LEU HB3 H 1 -0.336 . . . . . . A 123 LEU HB3 . 19152 1 1439 . 1 1 123 123 LEU HG H 1 0.268 . . . . . . A 123 LEU HG . 19152 1 1440 . 1 1 123 123 LEU HD11 H 1 0.808 . . . . . . A 123 LEU HD11 . 19152 1 1441 . 1 1 123 123 LEU HD12 H 1 0.808 . . . . . . A 123 LEU HD12 . 19152 1 1442 . 1 1 123 123 LEU HD13 H 1 0.808 . . . . . . A 123 LEU HD13 . 19152 1 1443 . 1 1 123 123 LEU HD21 H 1 0.994 . . . . . . A 123 LEU HD21 . 19152 1 1444 . 1 1 123 123 LEU HD22 H 1 0.994 . . . . . . A 123 LEU HD22 . 19152 1 1445 . 1 1 123 123 LEU HD23 H 1 0.994 . . . . . . A 123 LEU HD23 . 19152 1 1446 . 1 1 123 123 LEU C C 13 173.492 . . . . . . A 123 LEU C . 19152 1 1447 . 1 1 123 123 LEU CA C 13 53.800 . . . . . . A 123 LEU CA . 19152 1 1448 . 1 1 123 123 LEU CB C 13 41.185 . . . . . . A 123 LEU CB . 19152 1 1449 . 1 1 123 123 LEU CG C 13 26.240 . . . . . . A 123 LEU CG . 19152 1 1450 . 1 1 123 123 LEU CD1 C 13 22.119 . . . . . . A 123 LEU CD1 . 19152 1 1451 . 1 1 123 123 LEU CD2 C 13 27.000 . . . . . . A 123 LEU CD2 . 19152 1 1452 . 1 1 123 123 LEU N N 15 130.351 . . . . . . A 123 LEU N . 19152 1 1453 . 1 1 124 124 LEU H H 1 8.385 . . . . . . A 124 LEU H . 19152 1 1454 . 1 1 124 124 LEU HA H 1 5.059 . . . . . . A 124 LEU HA . 19152 1 1455 . 1 1 124 124 LEU HB2 H 1 1.832 . . . . . . A 124 LEU HB2 . 19152 1 1456 . 1 1 124 124 LEU HB3 H 1 1.477 . . . . . . A 124 LEU HB3 . 19152 1 1457 . 1 1 124 124 LEU HG H 1 1.543 . . . . . . A 124 LEU HG . 19152 1 1458 . 1 1 124 124 LEU HD11 H 1 0.682 . . . . . . A 124 LEU HD11 . 19152 1 1459 . 1 1 124 124 LEU HD12 H 1 0.682 . . . . . . A 124 LEU HD12 . 19152 1 1460 . 1 1 124 124 LEU HD13 H 1 0.682 . . . . . . A 124 LEU HD13 . 19152 1 1461 . 1 1 124 124 LEU HD21 H 1 0.930 . . . . . . A 124 LEU HD21 . 19152 1 1462 . 1 1 124 124 LEU HD22 H 1 0.930 . . . . . . A 124 LEU HD22 . 19152 1 1463 . 1 1 124 124 LEU HD23 H 1 0.930 . . . . . . A 124 LEU HD23 . 19152 1 1464 . 1 1 124 124 LEU C C 13 176.395 . . . . . . A 124 LEU C . 19152 1 1465 . 1 1 124 124 LEU CA C 13 54.190 . . . . . . A 124 LEU CA . 19152 1 1466 . 1 1 124 124 LEU CB C 13 41.240 . . . . . . A 124 LEU CB . 19152 1 1467 . 1 1 124 124 LEU CG C 13 27.975 . . . . . . A 124 LEU CG . 19152 1 1468 . 1 1 124 124 LEU CD1 C 13 24.960 . . . . . . A 124 LEU CD1 . 19152 1 1469 . 1 1 124 124 LEU CD2 C 13 26.000 . . . . . . A 124 LEU CD2 . 19152 1 1470 . 1 1 124 124 LEU N N 15 127.925 . . . . . . A 124 LEU N . 19152 1 1471 . 1 1 125 125 ILE H H 1 8.991 . . . . . . A 125 ILE H . 19152 1 1472 . 1 1 125 125 ILE HA H 1 4.168 . . . . . . A 125 ILE HA . 19152 1 1473 . 1 1 125 125 ILE HB H 1 1.864 . . . . . . A 125 ILE HB . 19152 1 1474 . 1 1 125 125 ILE HG12 H 1 1.411 . . . . . . A 125 ILE HG12 . 19152 1 1475 . 1 1 125 125 ILE HG13 H 1 0.681 . . . . . . A 125 ILE HG13 . 19152 1 1476 . 1 1 125 125 ILE HG21 H 1 0.934 . . . . . . A 125 ILE HG21 . 19152 1 1477 . 1 1 125 125 ILE HG22 H 1 0.934 . . . . . . A 125 ILE HG22 . 19152 1 1478 . 1 1 125 125 ILE HG23 H 1 0.934 . . . . . . A 125 ILE HG23 . 19152 1 1479 . 1 1 125 125 ILE HD11 H 1 0.715 . . . . . . A 125 ILE HD11 . 19152 1 1480 . 1 1 125 125 ILE HD12 H 1 0.715 . . . . . . A 125 ILE HD12 . 19152 1 1481 . 1 1 125 125 ILE HD13 H 1 0.715 . . . . . . A 125 ILE HD13 . 19152 1 1482 . 1 1 125 125 ILE C C 13 173.620 . . . . . . A 125 ILE C . 19152 1 1483 . 1 1 125 125 ILE CA C 13 61.563 . . . . . . A 125 ILE CA . 19152 1 1484 . 1 1 125 125 ILE CB C 13 39.350 . . . . . . A 125 ILE CB . 19152 1 1485 . 1 1 125 125 ILE CG1 C 13 27.304 . . . . . . A 125 ILE CG1 . 19152 1 1486 . 1 1 125 125 ILE CG2 C 13 17.220 . . . . . . A 125 ILE CG2 . 19152 1 1487 . 1 1 125 125 ILE CD1 C 13 14.242 . . . . . . A 125 ILE CD1 . 19152 1 1488 . 1 1 125 125 ILE N N 15 125.353 . . . . . . A 125 ILE N . 19152 1 1489 . 1 1 126 126 ASP H H 1 9.397 . . . . . . A 126 ASP HN . 19152 1 1490 . 1 1 126 126 ASP HA H 1 5.057 . . . . . . A 126 ASP HA . 19152 1 1491 . 1 1 126 126 ASP HB2 H 1 3.275 . . . . . . A 126 ASP HB2 . 19152 1 1492 . 1 1 126 126 ASP HB3 H 1 2.789 . . . . . . A 126 ASP HB3 . 19152 1 1493 . 1 1 126 126 ASP C C 13 177.281 . . . . . . A 126 ASP C . 19152 1 1494 . 1 1 126 126 ASP CA C 13 51.650 . . . . . . A 126 ASP CA . 19152 1 1495 . 1 1 126 126 ASP CB C 13 42.040 . . . . . . A 126 ASP CB . 19152 1 1496 . 1 1 126 126 ASP N N 15 126.912 . . . . . . A 126 ASP N . 19152 1 1497 . 1 1 127 127 ALA H H 1 10.021 . . . . . . A 127 ALA H . 19152 1 1498 . 1 1 127 127 ALA HA H 1 4.319 . . . . . . A 127 ALA HA . 19152 1 1499 . 1 1 127 127 ALA HB1 H 1 1.795 . . . . . . A 127 ALA HB1 . 19152 1 1500 . 1 1 127 127 ALA HB2 H 1 1.795 . . . . . . A 127 ALA HB2 . 19152 1 1501 . 1 1 127 127 ALA HB3 H 1 1.795 . . . . . . A 127 ALA HB3 . 19152 1 1502 . 1 1 127 127 ALA C C 13 178.727 . . . . . . A 127 ALA C . 19152 1 1503 . 1 1 127 127 ALA CA C 13 54.820 . . . . . . A 127 ALA CA . 19152 1 1504 . 1 1 127 127 ALA CB C 13 19.130 . . . . . . A 127 ALA CB . 19152 1 1505 . 1 1 127 127 ALA N N 15 131.253 . . . . . . A 127 ALA N . 19152 1 1506 . 1 1 128 128 SER H H 1 8.402 . . . . . . A 128 SER H . 19152 1 1507 . 1 1 128 128 SER HA H 1 4.208 . . . . . . A 128 SER HA . 19152 1 1508 . 1 1 128 128 SER HB2 H 1 3.983 . . . . . . A 128 SER HB2 . 19152 1 1509 . 1 1 128 128 SER C C 13 174.873 . . . . . . A 128 SER C . 19152 1 1510 . 1 1 128 128 SER CA C 13 62.010 . . . . . . A 128 SER CA . 19152 1 1511 . 1 1 128 128 SER CB C 13 63.330 . . . . . . A 128 SER CB . 19152 1 1512 . 1 1 128 128 SER N N 15 111.765 . . . . . . A 128 SER N . 19152 1 1513 . 1 1 129 129 GLU H H 1 7.238 . . . . . . A 129 GLU HN . 19152 1 1514 . 1 1 129 129 GLU HA H 1 4.474 . . . . . . A 129 GLU HA . 19152 1 1515 . 1 1 129 129 GLU HB2 H 1 2.137 . . . . . . A 129 GLU HB2 . 19152 1 1516 . 1 1 129 129 GLU HB3 H 1 1.925 . . . . . . A 129 GLU HB3 . 19152 1 1517 . 1 1 129 129 GLU HG2 H 1 2.290 . . . . . . A 129 GLU HG2 . 19152 1 1518 . 1 1 129 129 GLU HG3 H 1 2.152 . . . . . . A 129 GLU HG3 . 19152 1 1519 . 1 1 129 129 GLU C C 13 176.030 . . . . . . A 129 GLU C . 19152 1 1520 . 1 1 129 129 GLU CA C 13 56.407 . . . . . . A 129 GLU CA . 19152 1 1521 . 1 1 129 129 GLU CB C 13 32.430 . . . . . . A 129 GLU CB . 19152 1 1522 . 1 1 129 129 GLU CG C 13 35.547 . . . . . . A 129 GLU CG . 19152 1 1523 . 1 1 129 129 GLU N N 15 119.983 . . . . . . A 129 GLU N . 19152 1 1524 . 1 1 130 130 ASN H H 1 8.440 . . . . . . A 130 ASN H . 19152 1 1525 . 1 1 130 130 ASN HA H 1 5.245 . . . . . . A 130 ASN HA . 19152 1 1526 . 1 1 130 130 ASN HB2 H 1 2.649 . . . . . . A 130 ASN HB2 . 19152 1 1527 . 1 1 130 130 ASN HB3 H 1 2.520 . . . . . . A 130 ASN HB3 . 19152 1 1528 . 1 1 130 130 ASN HD21 H 1 8.132 . . . . . . A 130 ASN HD21 . 19152 1 1529 . 1 1 130 130 ASN HD22 H 1 6.627 . . . . . . A 130 ASN HD22 . 19152 1 1530 . 1 1 130 130 ASN C C 13 171.685 . . . . . . A 130 ASN C . 19152 1 1531 . 1 1 130 130 ASN CA C 13 51.020 . . . . . . A 130 ASN CA . 19152 1 1532 . 1 1 130 130 ASN CB C 13 40.180 . . . . . . A 130 ASN CB . 19152 1 1533 . 1 1 130 130 ASN N N 15 116.806 . . . . . . A 130 ASN N . 19152 1 1534 . 1 1 130 130 ASN ND2 N 15 113.631 . . . . . . A 130 ASN ND2 . 19152 1 1535 . 1 1 131 131 PRO HA H 1 4.564 . . . . . . A 131 PRO HA . 19152 1 1536 . 1 1 131 131 PRO HB2 H 1 2.409 . . . . . . A 131 PRO HB2 . 19152 1 1537 . 1 1 131 131 PRO HB3 H 1 2.140 . . . . . . A 131 PRO HB3 . 19152 1 1538 . 1 1 131 131 PRO HG2 H 1 2.072 . . . . . . A 131 PRO HG2 . 19152 1 1539 . 1 1 131 131 PRO HG3 H 1 1.995 . . . . . . A 131 PRO HG3 . 19152 1 1540 . 1 1 131 131 PRO HD2 H 1 3.440 . . . . . . A 131 PRO HD2 . 19152 1 1541 . 1 1 131 131 PRO HD3 H 1 3.880 . . . . . . A 131 PRO HD3 . 19152 1 1542 . 1 1 131 131 PRO C C 13 176.382 . . . . . . A 131 PRO C . 19152 1 1543 . 1 1 131 131 PRO CA C 13 63.853 . . . . . . A 131 PRO CA . 19152 1 1544 . 1 1 131 131 PRO CB C 13 32.247 . . . . . . A 131 PRO CB . 19152 1 1545 . 1 1 131 131 PRO CG C 13 26.759 . . . . . . A 131 PRO CG . 19152 1 1546 . 1 1 131 131 PRO CD C 13 50.475 . . . . . . A 131 PRO CD . 19152 1 1547 . 1 1 132 132 GLU H H 1 7.699 . . . . . . A 132 GLU HN . 19152 1 1548 . 1 1 132 132 GLU HA H 1 5.107 . . . . . . A 132 GLU HA . 19152 1 1549 . 1 1 132 132 GLU HB2 H 1 2.100 . . . . . . A 132 GLU HB2 . 19152 1 1550 . 1 1 132 132 GLU HB3 H 1 2.061 . . . . . . A 132 GLU HB3 . 19152 1 1551 . 1 1 132 132 GLU HG2 H 1 2.310 . . . . . . A 132 GLU HG2 . 19152 1 1552 . 1 1 132 132 GLU HG3 H 1 2.189 . . . . . . A 132 GLU HG3 . 19152 1 1553 . 1 1 132 132 GLU C C 13 174.629 . . . . . . A 132 GLU C . 19152 1 1554 . 1 1 132 132 GLU CA C 13 53.055 . . . . . . A 132 GLU CA . 19152 1 1555 . 1 1 132 132 GLU CB C 13 29.318 . . . . . . A 132 GLU CB . 19152 1 1556 . 1 1 132 132 GLU CG C 13 35.882 . . . . . . A 132 GLU CG . 19152 1 1557 . 1 1 132 132 GLU N N 15 120.155 . . . . . . A 132 GLU N . 19152 1 1558 . 1 1 133 133 PRO HA H 1 4.000 . . . . . . A 133 PRO HA . 19152 1 1559 . 1 1 133 133 PRO HB2 H 1 2.546 . . . . . . A 133 PRO HB2 . 19152 1 1560 . 1 1 133 133 PRO HB3 H 1 1.730 . . . . . . A 133 PRO HB3 . 19152 1 1561 . 1 1 133 133 PRO HG2 H 1 2.011 . . . . . . A 133 PRO HG2 . 19152 1 1562 . 1 1 133 133 PRO HG3 H 1 1.951 . . . . . . A 133 PRO HG3 . 19152 1 1563 . 1 1 133 133 PRO HD2 H 1 3.702 . . . . . . A 133 PRO HD2 . 19152 1 1564 . 1 1 133 133 PRO HD3 H 1 4.186 . . . . . . A 133 PRO HD3 . 19152 1 1565 . 1 1 133 133 PRO C C 13 177.798 . . . . . . A 133 PRO C . 19152 1 1566 . 1 1 133 133 PRO CA C 13 65.684 . . . . . . A 133 PRO CA . 19152 1 1567 . 1 1 133 133 PRO CB C 13 31.833 . . . . . . A 133 PRO CB . 19152 1 1568 . 1 1 133 133 PRO CG C 13 27.273 . . . . . . A 133 PRO CG . 19152 1 1569 . 1 1 133 133 PRO CD C 13 50.908 . . . . . . A 133 PRO CD . 19152 1 1570 . 1 1 134 134 GLU H H 1 10.559 . . . . . . A 134 GLU HN . 19152 1 1571 . 1 1 134 134 GLU HA H 1 5.300 . . . . . . A 134 GLU HA . 19152 1 1572 . 1 1 134 134 GLU HB2 H 1 2.024 . . . . . . A 134 GLU HB2 . 19152 1 1573 . 1 1 134 134 GLU HB3 H 1 1.737 . . . . . . A 134 GLU HB3 . 19152 1 1574 . 1 1 134 134 GLU HG2 H 1 2.301 . . . . . . A 134 GLU HG2 . 19152 1 1575 . 1 1 134 134 GLU HG3 H 1 2.166 . . . . . . A 134 GLU HG3 . 19152 1 1576 . 1 1 134 134 GLU C C 13 178.429 . . . . . . A 134 GLU C . 19152 1 1577 . 1 1 134 134 GLU CA C 13 57.494 . . . . . . A 134 GLU CA . 19152 1 1578 . 1 1 134 134 GLU CB C 13 26.760 . . . . . . A 134 GLU CB . 19152 1 1579 . 1 1 134 134 GLU CG C 13 35.523 . . . . . . A 134 GLU CG . 19152 1 1580 . 1 1 134 134 GLU N N 15 123.048 . . . . . . A 134 GLU N . 19152 1 1581 . 1 1 135 135 THR H H 1 8.025 . . . . . . A 135 THR H . 19152 1 1582 . 1 1 135 135 THR HA H 1 4.176 . . . . . . A 135 THR HA . 19152 1 1583 . 1 1 135 135 THR HB H 1 4.296 . . . . . . A 135 THR HB . 19152 1 1584 . 1 1 135 135 THR HG21 H 1 1.390 . . . . . . A 135 THR HG21 . 19152 1 1585 . 1 1 135 135 THR HG22 H 1 1.390 . . . . . . A 135 THR HG22 . 19152 1 1586 . 1 1 135 135 THR HG23 H 1 1.390 . . . . . . A 135 THR HG23 . 19152 1 1587 . 1 1 135 135 THR C C 13 176.490 . . . . . . A 135 THR C . 19152 1 1588 . 1 1 135 135 THR CA C 13 64.979 . . . . . . A 135 THR CA . 19152 1 1589 . 1 1 135 135 THR CB C 13 69.064 . . . . . . A 135 THR CB . 19152 1 1590 . 1 1 135 135 THR CG2 C 13 22.161 . . . . . . A 135 THR CG2 . 19152 1 1591 . 1 1 135 135 THR N N 15 113.971 . . . . . . A 135 THR N . 19152 1 1592 . 1 1 136 136 GLU H H 1 7.576 . . . . . . A 136 GLU HN . 19152 1 1593 . 1 1 136 136 GLU HA H 1 4.600 . . . . . . A 136 GLU HA . 19152 1 1594 . 1 1 136 136 GLU HB2 H 1 2.101 . . . . . . A 136 GLU HB2 . 19152 1 1595 . 1 1 136 136 GLU HB3 H 1 1.948 . . . . . . A 136 GLU HB3 . 19152 1 1596 . 1 1 136 136 GLU HG2 H 1 2.272 . . . . . . A 136 GLU HG2 . 19152 1 1597 . 1 1 136 136 GLU HG3 H 1 2.205 . . . . . . A 136 GLU HG3 . 19152 1 1598 . 1 1 136 136 GLU C C 13 178.528 . . . . . . A 136 GLU C . 19152 1 1599 . 1 1 136 136 GLU CA C 13 56.407 . . . . . . A 136 GLU CA . 19152 1 1600 . 1 1 136 136 GLU CB C 13 32.221 . . . . . . A 136 GLU CB . 19152 1 1601 . 1 1 136 136 GLU CG C 13 36.494 . . . . . . A 136 GLU CG . 19152 1 1602 . 1 1 136 136 GLU N N 15 119.297 . . . . . . A 136 GLU N . 19152 1 1603 . 1 1 137 137 SER H H 1 8.905 . . . . . . A 137 SER H . 19152 1 1604 . 1 1 137 137 SER HA H 1 4.019 . . . . . . A 137 SER HA . 19152 1 1605 . 1 1 137 137 SER HB2 H 1 3.818 . . . . . . A 137 SER HB2 . 19152 1 1606 . 1 1 137 137 SER HB3 H 1 3.386 . . . . . . A 137 SER HB3 . 19152 1 1607 . 1 1 137 137 SER C C 13 175.727 . . . . . . A 137 SER C . 19152 1 1608 . 1 1 137 137 SER CA C 13 62.337 . . . . . . A 137 SER CA . 19152 1 1609 . 1 1 137 137 SER CB C 13 61.527 . . . . . . A 137 SER CB . 19152 1 1610 . 1 1 137 137 SER N N 15 117.339 . . . . . . A 137 SER N . 19152 1 1611 . 1 1 138 138 ASN H H 1 8.481 . . . . . . A 138 ASN H . 19152 1 1612 . 1 1 138 138 ASN HA H 1 4.621 . . . . . . A 138 ASN HA . 19152 1 1613 . 1 1 138 138 ASN HB2 H 1 3.198 . . . . . . A 138 ASN HB2 . 19152 1 1614 . 1 1 138 138 ASN HB3 H 1 2.772 . . . . . . A 138 ASN HB3 . 19152 1 1615 . 1 1 138 138 ASN HD21 H 1 6.989 . . . . . . A 138 ASN HD21 . 19152 1 1616 . 1 1 138 138 ASN HD22 H 1 7.202 . . . . . . A 138 ASN HD22 . 19152 1 1617 . 1 1 138 138 ASN C C 13 175.787 . . . . . . A 138 ASN C . 19152 1 1618 . 1 1 138 138 ASN CA C 13 57.690 . . . . . . A 138 ASN CA . 19152 1 1619 . 1 1 138 138 ASN CB C 13 34.196 . . . . . . A 138 ASN CB . 19152 1 1620 . 1 1 138 138 ASN N N 15 124.278 . . . . . . A 138 ASN N . 19152 1 1621 . 1 1 138 138 ASN ND2 N 15 106.372 . . . . . . A 138 ASN ND2 . 19152 1 1622 . 1 1 139 139 PRO HA H 1 4.469 . . . . . . A 139 PRO HA . 19152 1 1623 . 1 1 139 139 PRO HB2 H 1 2.396 . . . . . . A 139 PRO HB2 . 19152 1 1624 . 1 1 139 139 PRO HB3 H 1 1.980 . . . . . . A 139 PRO HB3 . 19152 1 1625 . 1 1 139 139 PRO HG2 H 1 2.239 . . . . . . A 139 PRO HG2 . 19152 1 1626 . 1 1 139 139 PRO HG3 H 1 2.105 . . . . . . A 139 PRO HG3 . 19152 1 1627 . 1 1 139 139 PRO HD2 H 1 3.632 . . . . . . A 139 PRO HD2 . 19152 1 1628 . 1 1 139 139 PRO HD3 H 1 3.509 . . . . . . A 139 PRO HD3 . 19152 1 1629 . 1 1 139 139 PRO C C 13 180.133 . . . . . . A 139 PRO C . 19152 1 1630 . 1 1 139 139 PRO CA C 13 65.698 . . . . . . A 139 PRO CA . 19152 1 1631 . 1 1 139 139 PRO CB C 13 30.591 . . . . . . A 139 PRO CB . 19152 1 1632 . 1 1 139 139 PRO CG C 13 28.307 . . . . . . A 139 PRO CG . 19152 1 1633 . 1 1 139 139 PRO CD C 13 50.220 . . . . . . A 139 PRO CD . 19152 1 1634 . 1 1 140 140 TRP H H 1 7.067 . . . . . . A 140 TRP H . 19152 1 1635 . 1 1 140 140 TRP HA H 1 4.341 . . . . . . A 140 TRP HA . 19152 1 1636 . 1 1 140 140 TRP HB2 H 1 3.655 . . . . . . A 140 TRP HB2 . 19152 1 1637 . 1 1 140 140 TRP HB3 H 1 3.334 . . . . . . A 140 TRP HB3 . 19152 1 1638 . 1 1 140 140 TRP HD1 H 1 7.362 . . . . . . A 140 TRP HD1 . 19152 1 1639 . 1 1 140 140 TRP HE1 H 1 9.716 . . . . . . A 140 TRP HE1 . 19152 1 1640 . 1 1 140 140 TRP HZ3 H 1 5.940 . . . . . . A 140 TRP HZ3 . 19152 1 1641 . 1 1 140 140 TRP C C 13 179.336 . . . . . . A 140 TRP C . 19152 1 1642 . 1 1 140 140 TRP CA C 13 62.303 . . . . . . A 140 TRP CA . 19152 1 1643 . 1 1 140 140 TRP CB C 13 30.884 . . . . . . A 140 TRP CB . 19152 1 1644 . 1 1 140 140 TRP CD1 C 13 127.681 . . . . . . A 140 TRP CD1 . 19152 1 1645 . 1 1 140 140 TRP CD2 C 13 127.886 . . . . . . A 140 TRP CD2 . 19152 1 1646 . 1 1 140 140 TRP CE3 C 13 119.000 . . . . . . A 140 TRP CE3 . 19152 1 1647 . 1 1 140 140 TRP CZ3 C 13 121.117 . . . . . . A 140 TRP CZ3 . 19152 1 1648 . 1 1 140 140 TRP N N 15 120.294 . . . . . . A 140 TRP N . 19152 1 1649 . 1 1 140 140 TRP NE1 N 15 128.731 . . . . . . A 140 TRP NE1 . 19152 1 1650 . 1 1 141 141 VAL H H 1 9.699 . . . . . . A 141 VAL H . 19152 1 1651 . 1 1 141 141 VAL HA H 1 3.763 . . . . . . A 141 VAL HA . 19152 1 1652 . 1 1 141 141 VAL HB H 1 2.429 . . . . . . A 141 VAL HB . 19152 1 1653 . 1 1 141 141 VAL HG11 H 1 1.134 . . . . . . A 141 VAL HG11 . 19152 1 1654 . 1 1 141 141 VAL HG12 H 1 1.134 . . . . . . A 141 VAL HG12 . 19152 1 1655 . 1 1 141 141 VAL HG13 H 1 1.134 . . . . . . A 141 VAL HG13 . 19152 1 1656 . 1 1 141 141 VAL HG21 H 1 1.346 . . . . . . A 141 VAL HG21 . 19152 1 1657 . 1 1 141 141 VAL HG22 H 1 1.346 . . . . . . A 141 VAL HG22 . 19152 1 1658 . 1 1 141 141 VAL HG23 H 1 1.346 . . . . . . A 141 VAL HG23 . 19152 1 1659 . 1 1 141 141 VAL C C 13 177.493 . . . . . . A 141 VAL C . 19152 1 1660 . 1 1 141 141 VAL CA C 13 66.720 . . . . . . A 141 VAL CA . 19152 1 1661 . 1 1 141 141 VAL CB C 13 31.420 . . . . . . A 141 VAL CB . 19152 1 1662 . 1 1 141 141 VAL CG1 C 13 22.464 . . . . . . A 141 VAL CG1 . 19152 1 1663 . 1 1 141 141 VAL CG2 C 13 24.095 . . . . . . A 141 VAL CG2 . 19152 1 1664 . 1 1 141 141 VAL N N 15 123.735 . . . . . . A 141 VAL N . 19152 1 1665 . 1 1 142 142 GLU H H 1 8.528 . . . . . . A 142 GLU HN . 19152 1 1666 . 1 1 142 142 GLU HA H 1 3.752 . . . . . . A 142 GLU HA . 19152 1 1667 . 1 1 142 142 GLU HB2 H 1 2.168 . . . . . . A 142 GLU HB2 . 19152 1 1668 . 1 1 142 142 GLU HB3 H 1 2.068 . . . . . . A 142 GLU HB3 . 19152 1 1669 . 1 1 142 142 GLU HG2 H 1 2.240 . . . . . . A 142 GLU HG2 . 19152 1 1670 . 1 1 142 142 GLU HG3 H 1 2.352 . . . . . . A 142 GLU HG3 . 19152 1 1671 . 1 1 142 142 GLU C C 13 178.906 . . . . . . A 142 GLU C . 19152 1 1672 . 1 1 142 142 GLU CA C 13 59.516 . . . . . . A 142 GLU CA . 19152 1 1673 . 1 1 142 142 GLU CB C 13 29.579 . . . . . . A 142 GLU CB . 19152 1 1674 . 1 1 142 142 GLU CG C 13 36.300 . . . . . . A 142 GLU CG . 19152 1 1675 . 1 1 142 142 GLU N N 15 120.710 . . . . . . A 142 GLU N . 19152 1 1676 . 1 1 143 143 GLN H H 1 7.377 . . . . . . A 143 HIS HN . 19152 1 1677 . 1 1 143 143 GLN HA H 1 4.333 . . . . . . A 143 HIS HA . 19152 1 1678 . 1 1 143 143 GLN HB2 H 1 3.220 . . . . . . A 143 HIS HB2 . 19152 1 1679 . 1 1 143 143 GLN HE22 H 1 7.102 . . . . . . A 143 HIS HE2 . 19152 1 1680 . 1 1 143 143 GLN C C 13 177.691 . . . . . . A 143 HIS C . 19152 1 1681 . 1 1 143 143 GLN CA C 13 59.232 . . . . . . A 143 HIS CA . 19152 1 1682 . 1 1 143 143 GLN CB C 13 28.564 . . . . . . A 143 HIS CB . 19152 1 1683 . 1 1 143 143 GLN N N 15 115.452 . . . . . . A 143 HIS N . 19152 1 1684 . 1 1 143 143 GLN NE2 N 15 119.000 . . . . . . A 143 HIS NE2 . 19152 1 1685 . 1 1 144 144 TRP H H 1 9.263 . . . . . . A 144 TRP H . 19152 1 1686 . 1 1 144 144 TRP HA H 1 3.355 . . . . . . A 144 TRP HA . 19152 1 1687 . 1 1 144 144 TRP HB2 H 1 2.771 . . . . . . A 144 TRP HB2 . 19152 1 1688 . 1 1 144 144 TRP HB3 H 1 1.910 . . . . . . A 144 TRP HB3 . 19152 1 1689 . 1 1 144 144 TRP HD1 H 1 6.426 . . . . . . A 144 TRP HD1 . 19152 1 1690 . 1 1 144 144 TRP HE1 H 1 9.312 . . . . . . A 144 TRP HE1 . 19152 1 1691 . 1 1 144 144 TRP HZ2 H 1 7.146 . . . . . . A 144 TRP HZ2 . 19152 1 1692 . 1 1 144 144 TRP HZ3 H 1 6.630 . . . . . . A 144 TRP HZ3 . 19152 1 1693 . 1 1 144 144 TRP HH2 H 1 6.730 . . . . . . A 144 TRP HH2 . 19152 1 1694 . 1 1 144 144 TRP C C 13 178.191 . . . . . . A 144 TRP C . 19152 1 1695 . 1 1 144 144 TRP CA C 13 62.853 . . . . . . A 144 TRP CA . 19152 1 1696 . 1 1 144 144 TRP CB C 13 28.564 . . . . . . A 144 TRP CB . 19152 1 1697 . 1 1 144 144 TRP CD1 C 13 127.681 . . . . . . A 144 TRP CD1 . 19152 1 1698 . 1 1 144 144 TRP CE3 C 13 117.130 . . . . . . A 144 TRP CE3 . 19152 1 1699 . 1 1 144 144 TRP CZ2 C 13 112.900 . . . . . . A 144 TRP CZ2 . 19152 1 1700 . 1 1 144 144 TRP CZ3 C 13 121.350 . . . . . . A 144 TRP CZ3 . 19152 1 1701 . 1 1 144 144 TRP CH2 C 13 123.220 . . . . . . A 144 TRP CH2 . 19152 1 1702 . 1 1 144 144 TRP N N 15 127.610 . . . . . . A 144 TRP N . 19152 1 1703 . 1 1 144 144 TRP NE1 N 15 127.905 . . . . . . A 144 TRP NE1 . 19152 1 1704 . 1 1 145 145 GLY H H 1 8.841 . . . . . . A 145 GLY H . 19152 1 1705 . 1 1 145 145 GLY HA2 H 1 4.598 . . . . . . A 145 GLY HA2 . 19152 1 1706 . 1 1 145 145 GLY HA3 H 1 3.181 . . . . . . A 145 GLY HA3 . 19152 1 1707 . 1 1 145 145 GLY C C 13 177.335 . . . . . . A 145 GLY C . 19152 1 1708 . 1 1 145 145 GLY CA C 13 46.801 . . . . . . A 145 GLY CA . 19152 1 1709 . 1 1 145 145 GLY N N 15 129.700 . . . . . . A 145 GLY N . 19152 1 1710 . 1 1 146 146 THR H H 1 7.543 . . . . . . A 146 THR H . 19152 1 1711 . 1 1 146 146 THR HA H 1 4.329 . . . . . . A 146 THR HA . 19152 1 1712 . 1 1 146 146 THR HB H 1 4.276 . . . . . . A 146 THR HB . 19152 1 1713 . 1 1 146 146 THR HG21 H 1 1.366 . . . . . . A 146 THR HG21 . 19152 1 1714 . 1 1 146 146 THR HG22 H 1 1.366 . . . . . . A 146 THR HG22 . 19152 1 1715 . 1 1 146 146 THR HG23 H 1 1.366 . . . . . . A 146 THR HG23 . 19152 1 1716 . 1 1 146 146 THR C C 13 175.550 . . . . . . A 146 THR C . 19152 1 1717 . 1 1 146 146 THR CA C 13 63.380 . . . . . . A 146 THR CA . 19152 1 1718 . 1 1 146 146 THR CB C 13 69.764 . . . . . . A 146 THR CB . 19152 1 1719 . 1 1 146 146 THR CG2 C 13 21.289 . . . . . . A 146 THR CG2 . 19152 1 1720 . 1 1 146 146 THR N N 15 111.360 . . . . . . A 146 THR N . 19152 1 1721 . 1 1 147 147 LEU H H 1 7.471 . . . . . . A 147 LEU H . 19152 1 1722 . 1 1 147 147 LEU HA H 1 4.070 . . . . . . A 147 LEU HA . 19152 1 1723 . 1 1 147 147 LEU HB2 H 1 1.395 . . . . . . A 147 LEU HB2 . 19152 1 1724 . 1 1 147 147 LEU HB3 H 1 1.126 . . . . . . A 147 LEU HB3 . 19152 1 1725 . 1 1 147 147 LEU HG H 1 1.256 . . . . . . A 147 LEU HG . 19152 1 1726 . 1 1 147 147 LEU HD11 H 1 0.507 . . . . . . A 147 LEU HD11 . 19152 1 1727 . 1 1 147 147 LEU HD12 H 1 0.507 . . . . . . A 147 LEU HD12 . 19152 1 1728 . 1 1 147 147 LEU HD13 H 1 0.507 . . . . . . A 147 LEU HD13 . 19152 1 1729 . 1 1 147 147 LEU HD21 H 1 0.580 . . . . . . A 147 LEU HD21 . 19152 1 1730 . 1 1 147 147 LEU HD22 H 1 0.580 . . . . . . A 147 LEU HD22 . 19152 1 1731 . 1 1 147 147 LEU HD23 H 1 0.580 . . . . . . A 147 LEU HD23 . 19152 1 1732 . 1 1 147 147 LEU C C 13 177.137 . . . . . . A 147 LEU C . 19152 1 1733 . 1 1 147 147 LEU CA C 13 54.603 . . . . . . A 147 LEU CA . 19152 1 1734 . 1 1 147 147 LEU CB C 13 41.165 . . . . . . A 147 LEU CB . 19152 1 1735 . 1 1 147 147 LEU CG C 13 25.200 . . . . . . A 147 LEU CG . 19152 1 1736 . 1 1 147 147 LEU CD1 C 13 21.087 . . . . . . A 147 LEU CD1 . 19152 1 1737 . 1 1 147 147 LEU CD2 C 13 24.874 . . . . . . A 147 LEU CD2 . 19152 1 1738 . 1 1 147 147 LEU N N 15 121.255 . . . . . . A 147 LEU N . 19152 1 1739 . 1 1 148 148 LEU H H 1 6.483 . . . . . . A 148 LEU H . 19152 1 1740 . 1 1 148 148 LEU HA H 1 3.726 . . . . . . A 148 LEU HA . 19152 1 1741 . 1 1 148 148 LEU HB2 H 1 1.009 . . . . . . A 148 LEU HB2 . 19152 1 1742 . 1 1 148 148 LEU HB3 H 1 0.058 . . . . . . A 148 LEU HB3 . 19152 1 1743 . 1 1 148 148 LEU HG H 1 -0.672 . . . . . . A 148 LEU HG . 19152 1 1744 . 1 1 148 148 LEU HD11 H 1 -0.952 . . . . . . A 148 LEU HD11 . 19152 1 1745 . 1 1 148 148 LEU HD12 H 1 -0.952 . . . . . . A 148 LEU HD12 . 19152 1 1746 . 1 1 148 148 LEU HD13 H 1 -0.952 . . . . . . A 148 LEU HD13 . 19152 1 1747 . 1 1 148 148 LEU HD21 H 1 0.860 . . . . . . A 148 LEU HD21 . 19152 1 1748 . 1 1 148 148 LEU HD22 H 1 0.860 . . . . . . A 148 LEU HD22 . 19152 1 1749 . 1 1 148 148 LEU HD23 H 1 0.860 . . . . . . A 148 LEU HD23 . 19152 1 1750 . 1 1 148 148 LEU C C 13 175.594 . . . . . . A 148 LEU C . 19152 1 1751 . 1 1 148 148 LEU CA C 13 53.829 . . . . . . A 148 LEU CA . 19152 1 1752 . 1 1 148 148 LEU CB C 13 39.700 . . . . . . A 148 LEU CB . 19152 1 1753 . 1 1 148 148 LEU CG C 13 24.697 . . . . . . A 148 LEU CG . 19152 1 1754 . 1 1 148 148 LEU CD1 C 13 19.798 . . . . . . A 148 LEU CD1 . 19152 1 1755 . 1 1 148 148 LEU CD2 C 13 24.860 . . . . . . A 148 LEU CD2 . 19152 1 1756 . 1 1 148 148 LEU N N 15 117.751 . . . . . . A 148 LEU N . 19152 1 1757 . 1 1 149 149 SER H H 1 7.509 . . . . . . A 149 SER HN . 19152 1 1758 . 1 1 149 149 SER HA H 1 4.304 . . . . . . A 149 SER HA . 19152 1 1759 . 1 1 149 149 SER HB2 H 1 3.850 . . . . . . A 149 SER HB2 . 19152 1 1760 . 1 1 149 149 SER HB3 H 1 3.797 . . . . . . A 149 SER HB3 . 19152 1 1761 . 1 1 149 149 SER C C 13 179.069 . . . . . . A 149 SER C . 19152 1 1762 . 1 1 149 149 SER CA C 13 60.048 . . . . . . A 149 SER CA . 19152 1 1763 . 1 1 149 149 SER CB C 13 65.204 . . . . . . A 149 SER CB . 19152 1 1764 . 1 1 149 149 SER N N 15 121.588 . . . . . . A 149 SER N . 19152 1 stop_ save_