data_16037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16037 _Entry.Title ; BlrP1 BLUF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-19 _Entry.Accession_date 2008-11-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Qiong Wu . . . 16037 2 Kevin Gardner . H. . 16037 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' . 16037 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BLUF . 16037 Photoreceptor . 16037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 677 16037 '15N chemical shifts' 154 16037 '1H chemical shifts' 1083 16037 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 3 . . 2010-06-02 2008-11-19 update BMRB 'edit assembly name' 16037 2 . . 2009-05-05 2008-11-19 update BMRB 'complete entry citation' 16037 1 . . 2009-03-31 2008-11-19 original author 'original release' 16037 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KB2 'BMRB Entry Tracking System' 16037 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16037 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19191473 _Citation.Full_citation . _Citation.Title 'Structure and Insight into Blue Light-Induced Changes in the BlrP1 BLUF Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 12 _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 2620 _Citation.Page_last 2629 _Citation.Year 2009 _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 Qiong Wu . . . 16037 1 2 Kevin Gardner . . . 16037 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BLUF 16037 1 Photoreceptor 16037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16037 _Assembly.ID 1 _Assembly.Name BlrP1_BLUF _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 BlrP1_BLUF 1 $BlrP1_BLUF A . yes native no no . . . 16037 1 2 'FLAVIN MONONUCLEOTIDE' 2 $FMN B . yes native no no . . . 16037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BlrP1_BLUF _Entity.Sf_category entity _Entity.Sf_framecode BlrP1_BLUF _Entity.Entry_ID 16037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BlrP1_BLUF _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 ; GEFMLTTLIYRSQVHPDRPP VDLDALVHRASSKNLPLGIT GILLFNGLQFFQVLEGTEEA LESLFSEIQSDPRHRDVVEL MRDYSAYRRFHGTGMRILDL RLFETDGALEEILRFSTFGV TEPVNDRMFRLLSAFIADGG RYCLPEPL ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16924.424 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KB2 . "Blrp1 Bluf" . . . . . 100.00 148 100.00 100.00 8.93e-101 . . . . 16037 1 2 no PDB 3GFX . "Klebsiella Pneumoniae Blrp1 Ph 4.5 Calcium/cy-digmp Complex" . . . . . 97.97 413 100.00 100.00 2.52e-96 . . . . 16037 1 3 no PDB 3GFY . "Klebsiella Pneumoniae Blrp1 With Fmn And Cyclic Digmp, No Metal Ions" . . . . . 97.97 413 100.00 100.00 2.52e-96 . . . . 16037 1 4 no PDB 3GFZ . "Klebsiella Pneumoniae Blrp1 Ph 6 Manganese/cy-digmp Complex" . . . . . 97.97 413 100.00 100.00 2.52e-96 . . . . 16037 1 5 no PDB 3GG0 . "Klebsiella Pneumoniae Blrp1 Ph 9.0 Manganese/cy-digmp Complex" . . . . . 97.97 413 100.00 100.00 2.52e-96 . . . . 16037 1 6 no PDB 3GG1 . "Klebsiella Pneumoniae Blrp1 Ph 8.0 Calcium/cy-digmp Complex" . . . . . 97.97 413 100.00 100.00 2.52e-96 . . . . 16037 1 7 no DBJ BAH63290 . "hypothetical protein KP1_2624 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 97.97 422 100.00 100.00 2.98e-96 . . . . 16037 1 8 no EMBL CCI76711 . "unnamed protein product [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" . . . . . 97.97 405 100.00 100.00 2.04e-96 . . . . 16037 1 9 no EMBL CCM80630 . "Diguanylate cyclase/phosphodiesterase domain 2 (EAL) [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" . . . . . 97.97 405 100.00 100.00 2.27e-96 . . . . 16037 1 10 no EMBL CCM86960 . "Diguanylate cyclase/phosphodiesterase domain 2 (EAL) [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" . . . . . 97.97 405 100.00 100.00 2.27e-96 . . . . 16037 1 11 no EMBL CCM95184 . "Diguanylate cyclase/phosphodiesterase domain 2 (EAL) [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" . . . . . 97.97 405 100.00 100.00 2.27e-96 . . . . 16037 1 12 no EMBL CCN29648 . "conserved hypothetical protein [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" . . . . . 97.97 405 100.00 100.00 2.04e-96 . . . . 16037 1 13 no GB ABR77029 . "hypothetical protein KPN_01598 [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" . . . . . 97.97 405 100.00 100.00 2.04e-96 . . . . 16037 1 14 no GB AEJ98065 . "hypothetical protein KPN2242_10805 [Klebsiella pneumoniae KCTC 2242]" . . . . . 97.97 405 100.00 100.00 2.04e-96 . . . . 16037 1 15 no GB AEW61211 . "hypothetical protein KPHS_25130 [Klebsiella pneumoniae subsp. pneumoniae HS11286]" . . . . . 97.97 405 100.00 100.00 2.27e-96 . . . . 16037 1 16 no GB AFQ65938 . "Diguanylate cyclase/phosphodiesterase domain 2 (EAL) [Klebsiella pneumoniae subsp. pneumoniae 1084]" . . . . . 97.97 405 100.00 100.00 2.24e-96 . . . . 16037 1 17 no GB AGT24399 . "Chain A, Klebsiella Pneumoniae Blrp1 Ph 4.5 CalciumCY-Digmp Complex [Klebsiella pneumoniae JM45]" . . . . . 97.97 405 100.00 100.00 2.27e-96 . . . . 16037 1 18 no REF WP_002903812 . "MULTISPECIES: diguanylate phosphodiesterase [Enterobacteriaceae]" . . . . . 97.97 405 100.00 100.00 2.27e-96 . . . . 16037 1 19 no REF WP_004143607 . "MULTISPECIES: diguanylate phosphodiesterase [Enterobacteriaceae]" . . . . . 97.97 405 100.00 100.00 2.04e-96 . . . . 16037 1 20 no REF WP_004892184 . "MULTISPECIES: diguanylate phosphodiesterase [Enterobacteriaceae]" . . . . . 97.97 405 100.00 100.00 2.24e-96 . . . . 16037 1 21 no REF WP_020802923 . "cyclic diguanylate phosphodiesterase (EAL) domain protein [Klebsiella pneumoniae]" . . . . . 97.97 405 100.00 100.00 2.91e-96 . . . . 16037 1 22 no REF WP_021314208 . "diguanylate phosphodiesterase [Klebsiella pneumoniae]" . . . . . 97.97 405 100.00 100.00 2.37e-96 . . . . 16037 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 . GLY . 16037 1 2 . GLU . 16037 1 3 . PHE . 16037 1 4 . MET . 16037 1 5 . LEU . 16037 1 6 . THR . 16037 1 7 . THR . 16037 1 8 . LEU . 16037 1 9 . ILE . 16037 1 10 . TYR . 16037 1 11 . ARG . 16037 1 12 . SER . 16037 1 13 . GLN . 16037 1 14 . VAL . 16037 1 15 . HIS . 16037 1 16 . PRO . 16037 1 17 . ASP . 16037 1 18 . ARG . 16037 1 19 . PRO . 16037 1 20 . PRO . 16037 1 21 . VAL . 16037 1 22 . ASP . 16037 1 23 . LEU . 16037 1 24 . ASP . 16037 1 25 . ALA . 16037 1 26 . LEU . 16037 1 27 . VAL . 16037 1 28 . HIS . 16037 1 29 . ARG . 16037 1 30 . ALA . 16037 1 31 . SER . 16037 1 32 . SER . 16037 1 33 . LYS . 16037 1 34 . ASN . 16037 1 35 . LEU . 16037 1 36 . PRO . 16037 1 37 . LEU . 16037 1 38 . GLY . 16037 1 39 . ILE . 16037 1 40 . THR . 16037 1 41 . GLY . 16037 1 42 . ILE . 16037 1 43 . LEU . 16037 1 44 . LEU . 16037 1 45 . PHE . 16037 1 46 . ASN . 16037 1 47 . GLY . 16037 1 48 . LEU . 16037 1 49 . GLN . 16037 1 50 . PHE . 16037 1 51 . PHE . 16037 1 52 . GLN . 16037 1 53 . VAL . 16037 1 54 . LEU . 16037 1 55 . GLU . 16037 1 56 . GLY . 16037 1 57 . THR . 16037 1 58 . GLU . 16037 1 59 . GLU . 16037 1 60 . ALA . 16037 1 61 . LEU . 16037 1 62 . GLU . 16037 1 63 . SER . 16037 1 64 . LEU . 16037 1 65 . PHE . 16037 1 66 . SER . 16037 1 67 . GLU . 16037 1 68 . ILE . 16037 1 69 . GLN . 16037 1 70 . SER . 16037 1 71 . ASP . 16037 1 72 . PRO . 16037 1 73 . ARG . 16037 1 74 . HIS . 16037 1 75 . ARG . 16037 1 76 . ASP . 16037 1 77 . VAL . 16037 1 78 . VAL . 16037 1 79 . GLU . 16037 1 80 . LEU . 16037 1 81 . MET . 16037 1 82 . ARG . 16037 1 83 . ASP . 16037 1 84 . TYR . 16037 1 85 . SER . 16037 1 86 . ALA . 16037 1 87 . TYR . 16037 1 88 . ARG . 16037 1 89 . ARG . 16037 1 90 . PHE . 16037 1 91 . HIS . 16037 1 92 . GLY . 16037 1 93 . THR . 16037 1 94 . GLY . 16037 1 95 . MET . 16037 1 96 . ARG . 16037 1 97 . ILE . 16037 1 98 . LEU . 16037 1 99 . ASP . 16037 1 100 . LEU . 16037 1 101 . ARG . 16037 1 102 . LEU . 16037 1 103 . PHE . 16037 1 104 . GLU . 16037 1 105 . THR . 16037 1 106 . ASP . 16037 1 107 . GLY . 16037 1 108 . ALA . 16037 1 109 . LEU . 16037 1 110 . GLU . 16037 1 111 . GLU . 16037 1 112 . ILE . 16037 1 113 . LEU . 16037 1 114 . ARG . 16037 1 115 . PHE . 16037 1 116 . SER . 16037 1 117 . THR . 16037 1 118 . PHE . 16037 1 119 . GLY . 16037 1 120 . VAL . 16037 1 121 . THR . 16037 1 122 . GLU . 16037 1 123 . PRO . 16037 1 124 . VAL . 16037 1 125 . ASN . 16037 1 126 . ASP . 16037 1 127 . ARG . 16037 1 128 . MET . 16037 1 129 . PHE . 16037 1 130 . ARG . 16037 1 131 . LEU . 16037 1 132 . LEU . 16037 1 133 . SER . 16037 1 134 . ALA . 16037 1 135 . PHE . 16037 1 136 . ILE . 16037 1 137 . ALA . 16037 1 138 . ASP . 16037 1 139 . GLY . 16037 1 140 . GLY . 16037 1 141 . ARG . 16037 1 142 . TYR . 16037 1 143 . CYS . 16037 1 144 . LEU . 16037 1 145 . PRO . 16037 1 146 . GLU . 16037 1 147 . PRO . 16037 1 148 . LEU . 16037 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 . GLY 1 1 16037 1 . GLU 2 2 16037 1 . PHE 3 3 16037 1 . MET 4 4 16037 1 . LEU 5 5 16037 1 . THR 6 6 16037 1 . THR 7 7 16037 1 . LEU 8 8 16037 1 . ILE 9 9 16037 1 . TYR 10 10 16037 1 . ARG 11 11 16037 1 . SER 12 12 16037 1 . GLN 13 13 16037 1 . VAL 14 14 16037 1 . HIS 15 15 16037 1 . PRO 16 16 16037 1 . ASP 17 17 16037 1 . ARG 18 18 16037 1 . PRO 19 19 16037 1 . PRO 20 20 16037 1 . VAL 21 21 16037 1 . ASP 22 22 16037 1 . LEU 23 23 16037 1 . ASP 24 24 16037 1 . ALA 25 25 16037 1 . LEU 26 26 16037 1 . VAL 27 27 16037 1 . HIS 28 28 16037 1 . ARG 29 29 16037 1 . ALA 30 30 16037 1 . SER 31 31 16037 1 . SER 32 32 16037 1 . LYS 33 33 16037 1 . ASN 34 34 16037 1 . LEU 35 35 16037 1 . PRO 36 36 16037 1 . LEU 37 37 16037 1 . GLY 38 38 16037 1 . ILE 39 39 16037 1 . THR 40 40 16037 1 . GLY 41 41 16037 1 . ILE 42 42 16037 1 . LEU 43 43 16037 1 . LEU 44 44 16037 1 . PHE 45 45 16037 1 . ASN 46 46 16037 1 . GLY 47 47 16037 1 . LEU 48 48 16037 1 . GLN 49 49 16037 1 . PHE 50 50 16037 1 . PHE 51 51 16037 1 . GLN 52 52 16037 1 . VAL 53 53 16037 1 . LEU 54 54 16037 1 . GLU 55 55 16037 1 . GLY 56 56 16037 1 . THR 57 57 16037 1 . GLU 58 58 16037 1 . GLU 59 59 16037 1 . ALA 60 60 16037 1 . LEU 61 61 16037 1 . GLU 62 62 16037 1 . SER 63 63 16037 1 . LEU 64 64 16037 1 . PHE 65 65 16037 1 . SER 66 66 16037 1 . GLU 67 67 16037 1 . ILE 68 68 16037 1 . GLN 69 69 16037 1 . SER 70 70 16037 1 . ASP 71 71 16037 1 . PRO 72 72 16037 1 . ARG 73 73 16037 1 . HIS 74 74 16037 1 . ARG 75 75 16037 1 . ASP 76 76 16037 1 . VAL 77 77 16037 1 . VAL 78 78 16037 1 . GLU 79 79 16037 1 . LEU 80 80 16037 1 . MET 81 81 16037 1 . ARG 82 82 16037 1 . ASP 83 83 16037 1 . TYR 84 84 16037 1 . SER 85 85 16037 1 . ALA 86 86 16037 1 . TYR 87 87 16037 1 . ARG 88 88 16037 1 . ARG 89 89 16037 1 . PHE 90 90 16037 1 . HIS 91 91 16037 1 . GLY 92 92 16037 1 . THR 93 93 16037 1 . GLY 94 94 16037 1 . MET 95 95 16037 1 . ARG 96 96 16037 1 . ILE 97 97 16037 1 . LEU 98 98 16037 1 . ASP 99 99 16037 1 . LEU 100 100 16037 1 . ARG 101 101 16037 1 . LEU 102 102 16037 1 . PHE 103 103 16037 1 . GLU 104 104 16037 1 . THR 105 105 16037 1 . ASP 106 106 16037 1 . GLY 107 107 16037 1 . ALA 108 108 16037 1 . LEU 109 109 16037 1 . GLU 110 110 16037 1 . GLU 111 111 16037 1 . ILE 112 112 16037 1 . LEU 113 113 16037 1 . ARG 114 114 16037 1 . PHE 115 115 16037 1 . SER 116 116 16037 1 . THR 117 117 16037 1 . PHE 118 118 16037 1 . GLY 119 119 16037 1 . VAL 120 120 16037 1 . THR 121 121 16037 1 . GLU 122 122 16037 1 . PRO 123 123 16037 1 . VAL 124 124 16037 1 . ASN 125 125 16037 1 . ASP 126 126 16037 1 . ARG 127 127 16037 1 . MET 128 128 16037 1 . PHE 129 129 16037 1 . ARG 130 130 16037 1 . LEU 131 131 16037 1 . LEU 132 132 16037 1 . SER 133 133 16037 1 . ALA 134 134 16037 1 . PHE 135 135 16037 1 . ILE 136 136 16037 1 . ALA 137 137 16037 1 . ASP 138 138 16037 1 . GLY 139 139 16037 1 . GLY 140 140 16037 1 . ARG 141 141 16037 1 . TYR 142 142 16037 1 . CYS 143 143 16037 1 . LEU 144 144 16037 1 . PRO 145 145 16037 1 . GLU 146 146 16037 1 . PRO 147 147 16037 1 . LEU 148 148 16037 1 stop_ save_ save_FMN _Entity.Sf_category entity _Entity.Sf_framecode FMN _Entity.Entry_ID 16037 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FMN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . FMN . 16037 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 16037 _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 $BlrP1_BLUF . 573 organism . 'Klebsiella pneumoniae' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella pneumoniae . . . . . . . . . . . . . . . . . . . . . 16037 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 16037 _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 $BlrP1_BLUF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'His-Gb1-parallel expression vector' . . . . . . 16037 1 2 2 $FMN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'his-Gb1-parallel expression vector' . . . . . . 16037 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 16037 _Chem_comp.ID FMN _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Oct 17 13:35:57 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID 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 16037 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 16037 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 16037 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 16037 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 16037 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 16037 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 16037 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 16037 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 16037 FMN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N1 . N1 . . N . . N 0 . . . . yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 16037 FMN C2 . C2 . . C . . N 0 . . . . yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 16037 FMN O2 . O2 . . O . . N 0 . . . . no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 16037 FMN N3 . N3 . . N . . N 0 . . . . yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 16037 FMN C4 . C4 . . C . . N 0 . . . . yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 16037 FMN O4 . O4 . . O . . N 0 . . . . no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 16037 FMN C4A . C4A . . C . . N 0 . . . . yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 16037 FMN N5 . N5 . . N . . N 0 . . . . yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 16037 FMN C5A . C5A . . C . . N 0 . . . . yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 16037 FMN C6 . C6 . . C . . N 0 . . . . yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 16037 FMN C7 . C7 . . C . . N 0 . . . . yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 16037 FMN C7M . C7M . . C . . N 0 . . . . no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 16037 FMN C8 . C8 . . C . . N 0 . . . . yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 16037 FMN C8M . C8M . . C . . N 0 . . . . no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 16037 FMN C9 . C9 . . C . . N 0 . . . . yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 16037 FMN C9A . C9A . . C . . N 0 . . . . yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 16037 FMN N10 . N10 . . N . . N 0 . . . . yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 16037 FMN C10 . C10 . . C . . N 0 . . . . yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 16037 FMN C1' . C1' . . C . . N 0 . . . . no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 16037 FMN C2' . C2' . . C . . S 0 . . . . no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 16037 FMN O2' . O2' . . O . . N 0 . . . . no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 16037 FMN C3' . C3' . . C . . S 0 . . . . no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 16037 FMN O3' . O3' . . O . . N 0 . . . . no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 16037 FMN C4' . C4' . . C . . R 0 . . . . no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 16037 FMN O4' . O4' . . O . . N 0 . . . . no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 16037 FMN C5' . C5' . . C . . N 0 . . . . no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 16037 FMN O5' . O5' . . O . . N 0 . . . . no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 16037 FMN P . P . . P . . N 0 . . . . no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 16037 FMN O1P . O1P . . O . . N 0 . . . . no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 16037 FMN O2P . O2P . . O . . N 0 . . . . no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 16037 FMN O3P . O3P . . O . . N 0 . . . . no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 16037 FMN HN3 . HN3 . . H . . N 0 . . . . no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 16037 FMN H6 . H6 . . H . . N 0 . . . . no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 16037 FMN HM71 . HM71 . . H . . N 0 . . . . no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 16037 FMN HM72 . HM72 . . H . . N 0 . . . . no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 16037 FMN HM73 . HM73 . . H . . N 0 . . . . no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 16037 FMN HM81 . HM81 . . H . . N 0 . . . . no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 16037 FMN HM82 . HM82 . . H . . N 0 . . . . no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 16037 FMN HM83 . HM83 . . H . . N 0 . . . . no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 16037 FMN H9 . H9 . . H . . N 0 . . . . no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 16037 FMN H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 16037 FMN H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 16037 FMN H2' . H2' . . H . . N 0 . . . . no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 16037 FMN HO2' . HO2' . . H . . N 0 . . . . no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 16037 FMN H3' . H3' . . H . . N 0 . . . . no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 16037 FMN HO3' . HO3' . . H . . N 0 . . . . no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 16037 FMN H4' . H4' . . H . . N 0 . . . . no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 16037 FMN HO4' . HO4' . . H . . N 0 . . . . no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 16037 FMN H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 16037 FMN H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 16037 FMN HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 16037 FMN HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 16037 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 . 16037 FMN 2 . DOUB N1 C10 yes N 2 . 16037 FMN 3 . DOUB C2 O2 no N 3 . 16037 FMN 4 . SING C2 N3 yes N 4 . 16037 FMN 5 . SING N3 C4 yes N 5 . 16037 FMN 6 . SING N3 HN3 no N 6 . 16037 FMN 7 . DOUB C4 O4 no N 7 . 16037 FMN 8 . SING C4 C4A yes N 8 . 16037 FMN 9 . DOUB C4A N5 yes N 9 . 16037 FMN 10 . SING C4A C10 yes N 10 . 16037 FMN 11 . SING N5 C5A yes N 11 . 16037 FMN 12 . DOUB C5A C6 yes N 12 . 16037 FMN 13 . SING C5A C9A yes N 13 . 16037 FMN 14 . SING C6 C7 yes N 14 . 16037 FMN 15 . SING C6 H6 no N 15 . 16037 FMN 16 . SING C7 C7M no N 16 . 16037 FMN 17 . DOUB C7 C8 yes N 17 . 16037 FMN 18 . SING C7M HM71 no N 18 . 16037 FMN 19 . SING C7M HM72 no N 19 . 16037 FMN 20 . SING C7M HM73 no N 20 . 16037 FMN 21 . SING C8 C8M no N 21 . 16037 FMN 22 . SING C8 C9 yes N 22 . 16037 FMN 23 . SING C8M HM81 no N 23 . 16037 FMN 24 . SING C8M HM82 no N 24 . 16037 FMN 25 . SING C8M HM83 no N 25 . 16037 FMN 26 . DOUB C9 C9A yes N 26 . 16037 FMN 27 . SING C9 H9 no N 27 . 16037 FMN 28 . SING C9A N10 yes N 28 . 16037 FMN 29 . SING N10 C10 yes N 29 . 16037 FMN 30 . SING N10 C1' no N 30 . 16037 FMN 31 . SING C1' C2' no N 31 . 16037 FMN 32 . SING C1' H1'1 no N 32 . 16037 FMN 33 . SING C1' H1'2 no N 33 . 16037 FMN 34 . SING C2' O2' no N 34 . 16037 FMN 35 . SING C2' C3' no N 35 . 16037 FMN 36 . SING C2' H2' no N 36 . 16037 FMN 37 . SING O2' HO2' no N 37 . 16037 FMN 38 . SING C3' O3' no N 38 . 16037 FMN 39 . SING C3' C4' no N 39 . 16037 FMN 40 . SING C3' H3' no N 40 . 16037 FMN 41 . SING O3' HO3' no N 41 . 16037 FMN 42 . SING C4' O4' no N 42 . 16037 FMN 43 . SING C4' C5' no N 43 . 16037 FMN 44 . SING C4' H4' no N 44 . 16037 FMN 45 . SING O4' HO4' no N 45 . 16037 FMN 46 . SING C5' O5' no N 46 . 16037 FMN 47 . SING C5' H5'1 no N 47 . 16037 FMN 48 . SING C5' H5'2 no N 48 . 16037 FMN 49 . SING O5' P no N 49 . 16037 FMN 50 . DOUB P O1P no N 50 . 16037 FMN 51 . SING P O2P no N 51 . 16037 FMN 52 . SING P O3P no N 52 . 16037 FMN 53 . SING O2P HOP2 no N 53 . 16037 FMN 54 . SING O3P HOP3 no N 54 . 16037 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16037 _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 'BlrP1 BLUF' '[U-99% 13C; U-99% 15N]' . . 1 $BlrP1_BLUF . . 0.1-0.7 . . mM . . . . 16037 1 2 'FLAVIN MONONUCLEOTIDE' '[U-99% 13C; U-99% 15N]' . . 2 $FMN . . 0.2-0.7 . . mM . . . . 16037 1 3 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 16037 1 4 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 16037 1 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 16037 _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 'ionic strength' 30 2 mM 16037 1 pH 7 0.1 pH 16037 1 pressure 1 . atm 16037 1 temperature 298 1 K 16037 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16037 _Software.ID 1 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16037 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16037 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16037 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16037 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16037 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16037 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16037 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16037 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16037 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16037 4 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16037 _Software.ID 5 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16037 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16037 5 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 16037 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16037 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16037 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16037 _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 Varian INOVA . 800 . . . 16037 1 2 spectrometer_2 Varian INOVA . 600 . . . 16037 1 3 spectrometer_3 Varian INOVA . 500 . . . 16037 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 16037 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16037 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16037 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16037 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16037 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16037 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16037 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16037 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16037 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16037 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 16037 _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 0.00 . indirect 0.25144953 . . . 1 $entry_citation . . 1 $entry_citation 16037 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16037 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16037 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 16037 _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' . . . 16037 1 2 '2D 1H-13C HSQC' . . . 16037 1 3 '3D HNCACB' . . . 16037 1 4 '3D CBCA(CO)NH' . . . 16037 1 5 '3D HNCO' . . . 16037 1 6 '3D H(CCO)NH' . . . 16037 1 7 '3D HCCH-TOCSY' . . . 16037 1 8 '3D 1H-15N NOESY' . . . 16037 1 9 '3D 1H-13C NOESY' . . . 16037 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ARIA . . 16037 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.280 0.05 . 1 . . . . 2 GLU HA . 16037 1 2 . 1 1 2 2 GLU HB2 H 1 1.921 0.05 . 2 . . . . 2 GLU HB1 . 16037 1 3 . 1 1 2 2 GLU HB3 H 1 1.806 0.05 . 2 . . . . 2 GLU HB2 . 16037 1 4 . 1 1 2 2 GLU HG2 H 1 2.099 0.05 . 2 . . . . 2 GLU HG1 . 16037 1 5 . 1 1 2 2 GLU HG3 H 1 2.156 0.05 . 2 . . . . 2 GLU HG2 . 16037 1 6 . 1 1 2 2 GLU C C 13 175.812 0.5 . 1 . . . . 2 GLU C . 16037 1 7 . 1 1 2 2 GLU CA C 13 56.425 0.5 . 1 . . . . 2 GLU CA . 16037 1 8 . 1 1 2 2 GLU CB C 13 30.652 0.5 . 1 . . . . 2 GLU CB . 16037 1 9 . 1 1 2 2 GLU CG C 13 36.077 0.5 . 1 . . . . 2 GLU CG . 16037 1 10 . 1 1 3 3 PHE H H 1 8.398 0.05 . 1 . . . . 3 PHE HN . 16037 1 11 . 1 1 3 3 PHE HA H 1 4.612 0.05 . 1 . . . . 3 PHE HA . 16037 1 12 . 1 1 3 3 PHE HB2 H 1 3.013 0.05 . 2 . . . . 3 PHE HB1 . 16037 1 13 . 1 1 3 3 PHE HB3 H 1 3.113 0.05 . 2 . . . . 3 PHE HB2 . 16037 1 14 . 1 1 3 3 PHE HD1 H 1 7.227 0.05 . 3 . . . . 3 PHE HD1 . 16037 1 15 . 1 1 3 3 PHE HD2 H 1 7.227 0.05 . 3 . . . . 3 PHE HD2 . 16037 1 16 . 1 1 3 3 PHE HE1 H 1 7.334 0.05 . 3 . . . . 3 PHE HE1 . 16037 1 17 . 1 1 3 3 PHE HE2 H 1 7.334 0.05 . 3 . . . . 3 PHE HE2 . 16037 1 18 . 1 1 3 3 PHE C C 13 175.058 0.5 . 1 . . . . 3 PHE C . 16037 1 19 . 1 1 3 3 PHE CA C 13 57.654 0.5 . 1 . . . . 3 PHE CA . 16037 1 20 . 1 1 3 3 PHE CB C 13 39.630 0.5 . 1 . . . . 3 PHE CB . 16037 1 21 . 1 1 3 3 PHE CD1 C 13 131.402 0.5 . 3 . . . . 3 PHE CD1 . 16037 1 22 . 1 1 3 3 PHE CD2 C 13 131.402 0.5 . 3 . . . . 3 PHE CD2 . 16037 1 23 . 1 1 3 3 PHE N N 15 121.337 0.5 . 1 . . . . 3 PHE N . 16037 1 24 . 1 1 4 4 MET H H 1 8.243 0.05 . 1 . . . . 4 MET HN . 16037 1 25 . 1 1 4 4 MET HA H 1 4.453 0.05 . 1 . . . . 4 MET HA . 16037 1 26 . 1 1 4 4 MET HB2 H 1 1.903 0.05 . 2 . . . . 4 MET HB1 . 16037 1 27 . 1 1 4 4 MET HB3 H 1 1.957 0.05 . 2 . . . . 4 MET HB2 . 16037 1 28 . 1 1 4 4 MET HE1 H 1 1.924 0.05 . 1 . . . . 4 MET HE1 . 16037 1 29 . 1 1 4 4 MET HE2 H 1 1.924 0.05 . 1 . . . . 4 MET HE1 . 16037 1 30 . 1 1 4 4 MET HE3 H 1 1.924 0.05 . 1 . . . . 4 MET HE1 . 16037 1 31 . 1 1 4 4 MET HG2 H 1 2.439 0.05 . 2 . . . . 4 MET HG1 . 16037 1 32 . 1 1 4 4 MET HG3 H 1 2.272 0.05 . 2 . . . . 4 MET HG2 . 16037 1 33 . 1 1 4 4 MET C C 13 175.598 0.5 . 1 . . . . 4 MET C . 16037 1 34 . 1 1 4 4 MET CA C 13 54.884 0.5 . 1 . . . . 4 MET CA . 16037 1 35 . 1 1 4 4 MET CB C 13 33.339 0.5 . 1 . . . . 4 MET CB . 16037 1 36 . 1 1 4 4 MET CE C 13 17.203 0.5 . 1 . . . . 4 MET CE . 16037 1 37 . 1 1 4 4 MET CG C 13 32.098 0.5 . 1 . . . . 4 MET CG . 16037 1 38 . 1 1 4 4 MET N N 15 122.104 0.5 . 1 . . . . 4 MET N . 16037 1 39 . 1 1 5 5 LEU H H 1 8.491 0.05 . 1 . . . . 5 LEU HN . 16037 1 40 . 1 1 5 5 LEU HA H 1 4.283 0.05 . 1 . . . . 5 LEU HA . 16037 1 41 . 1 1 5 5 LEU HB2 H 1 1.531 0.05 . 2 . . . . 5 LEU HB1 . 16037 1 42 . 1 1 5 5 LEU HB3 H 1 1.620 0.05 . 2 . . . . 5 LEU HB2 . 16037 1 43 . 1 1 5 5 LEU HD11 H 1 0.682 0.05 . 2 . . . . 5 LEU HD11 . 16037 1 44 . 1 1 5 5 LEU HD12 H 1 0.682 0.05 . 2 . . . . 5 LEU HD11 . 16037 1 45 . 1 1 5 5 LEU HD13 H 1 0.682 0.05 . 2 . . . . 5 LEU HD11 . 16037 1 46 . 1 1 5 5 LEU HD21 H 1 0.682 0.05 . 2 . . . . 5 LEU HD21 . 16037 1 47 . 1 1 5 5 LEU HD22 H 1 0.682 0.05 . 2 . . . . 5 LEU HD21 . 16037 1 48 . 1 1 5 5 LEU HD23 H 1 0.682 0.05 . 2 . . . . 5 LEU HD21 . 16037 1 49 . 1 1 5 5 LEU HG H 1 1.547 0.05 . 1 . . . . 5 LEU HG . 16037 1 50 . 1 1 5 5 LEU C C 13 175.950 0.5 . 1 . . . . 5 LEU C . 16037 1 51 . 1 1 5 5 LEU CA C 13 54.784 0.5 . 1 . . . . 5 LEU CA . 16037 1 52 . 1 1 5 5 LEU CB C 13 43.234 0.5 . 1 . . . . 5 LEU CB . 16037 1 53 . 1 1 5 5 LEU CD1 C 13 25.105 0.5 . 1 . . . . 5 LEU CD1 . 16037 1 54 . 1 1 5 5 LEU CD2 C 13 25.105 0.5 . 1 . . . . 5 LEU CD2 . 16037 1 55 . 1 1 5 5 LEU CG C 13 27.077 0.5 . 1 . . . . 5 LEU CG . 16037 1 56 . 1 1 5 5 LEU N N 15 124.657 0.5 . 1 . . . . 5 LEU N . 16037 1 57 . 1 1 6 6 THR H H 1 9.050 0.05 . 1 . . . . 6 THR HN . 16037 1 58 . 1 1 6 6 THR HA H 1 4.857 0.05 . 1 . . . . 6 THR HA . 16037 1 59 . 1 1 6 6 THR HB H 1 3.843 0.05 . 1 . . . . 6 THR HB . 16037 1 60 . 1 1 6 6 THR HG21 H 1 0.918 0.05 . 1 . . . . 6 THR HG21 . 16037 1 61 . 1 1 6 6 THR HG22 H 1 0.918 0.05 . 1 . . . . 6 THR HG21 . 16037 1 62 . 1 1 6 6 THR HG23 H 1 0.918 0.05 . 1 . . . . 6 THR HG21 . 16037 1 63 . 1 1 6 6 THR C C 13 172.131 0.5 . 1 . . . . 6 THR C . 16037 1 64 . 1 1 6 6 THR CA C 13 62.490 0.5 . 1 . . . . 6 THR CA . 16037 1 65 . 1 1 6 6 THR CB C 13 71.314 0.5 . 1 . . . . 6 THR CB . 16037 1 66 . 1 1 6 6 THR CG2 C 13 21.340 0.5 . 1 . . . . 6 THR CG2 . 16037 1 67 . 1 1 6 6 THR N N 15 120.788 0.5 . 1 . . . . 6 THR N . 16037 1 68 . 1 1 7 7 THR H H 1 8.830 0.05 . 1 . . . . 7 THR HN . 16037 1 69 . 1 1 7 7 THR HA H 1 5.152 0.05 . 1 . . . . 7 THR HA . 16037 1 70 . 1 1 7 7 THR HB H 1 3.679 0.05 . 1 . . . . 7 THR HB . 16037 1 71 . 1 1 7 7 THR HG21 H 1 1.071 0.05 . 1 . . . . 7 THR HG21 . 16037 1 72 . 1 1 7 7 THR HG22 H 1 1.071 0.05 . 1 . . . . 7 THR HG21 . 16037 1 73 . 1 1 7 7 THR HG23 H 1 1.071 0.05 . 1 . . . . 7 THR HG21 . 16037 1 74 . 1 1 7 7 THR C C 13 171.935 0.5 . 1 . . . . 7 THR C . 16037 1 75 . 1 1 7 7 THR CA C 13 61.410 0.5 . 1 . . . . 7 THR CA . 16037 1 76 . 1 1 7 7 THR CB C 13 70.812 0.5 . 1 . . . . 7 THR CB . 16037 1 77 . 1 1 7 7 THR CG2 C 13 22.255 0.5 . 1 . . . . 7 THR CG2 . 16037 1 78 . 1 1 7 7 THR N N 15 120.427 0.5 . 1 . . . . 7 THR N . 16037 1 79 . 1 1 8 8 LEU H H 1 9.233 0.05 . 1 . . . . 8 LEU HN . 16037 1 80 . 1 1 8 8 LEU HA H 1 5.014 0.05 . 1 . . . . 8 LEU HA . 16037 1 81 . 1 1 8 8 LEU HB2 H 1 1.097 0.05 . 2 . . . . 8 LEU HB1 . 16037 1 82 . 1 1 8 8 LEU HB3 H 1 1.456 0.05 . 2 . . . . 8 LEU HB2 . 16037 1 83 . 1 1 8 8 LEU HD11 H 1 0.337 0.05 . 2 . . . . 8 LEU HD11 . 16037 1 84 . 1 1 8 8 LEU HD12 H 1 0.337 0.05 . 2 . . . . 8 LEU HD11 . 16037 1 85 . 1 1 8 8 LEU HD13 H 1 0.337 0.05 . 2 . . . . 8 LEU HD11 . 16037 1 86 . 1 1 8 8 LEU HD21 H 1 0.096 0.05 . 2 . . . . 8 LEU HD21 . 16037 1 87 . 1 1 8 8 LEU HD22 H 1 0.096 0.05 . 2 . . . . 8 LEU HD21 . 16037 1 88 . 1 1 8 8 LEU HD23 H 1 0.096 0.05 . 2 . . . . 8 LEU HD21 . 16037 1 89 . 1 1 8 8 LEU HG H 1 1.196 0.05 . 1 . . . . 8 LEU HG . 16037 1 90 . 1 1 8 8 LEU C C 13 175.810 0.5 . 1 . . . . 8 LEU C . 16037 1 91 . 1 1 8 8 LEU CA C 13 53.830 0.5 . 1 . . . . 8 LEU CA . 16037 1 92 . 1 1 8 8 LEU CB C 13 47.710 0.5 . 1 . . . . 8 LEU CB . 16037 1 93 . 1 1 8 8 LEU CD1 C 13 24.796 0.5 . 1 . . . . 8 LEU CD1 . 16037 1 94 . 1 1 8 8 LEU CD2 C 13 24.796 0.5 . 1 . . . . 8 LEU CD2 . 16037 1 95 . 1 1 8 8 LEU CG C 13 28.229 0.5 . 1 . . . . 8 LEU CG . 16037 1 96 . 1 1 8 8 LEU N N 15 129.746 0.5 . 1 . . . . 8 LEU N . 16037 1 97 . 1 1 9 9 ILE H H 1 8.587 0.05 . 1 . . . . 9 ILE HN . 16037 1 98 . 1 1 9 9 ILE HA H 1 5.307 0.05 . 1 . . . . 9 ILE HA . 16037 1 99 . 1 1 9 9 ILE HB H 1 1.331 0.05 . 1 . . . . 9 ILE HB . 16037 1 100 . 1 1 9 9 ILE HD11 H 1 0.924 0.05 . 1 . . . . 9 ILE HD11 . 16037 1 101 . 1 1 9 9 ILE HD12 H 1 0.924 0.05 . 1 . . . . 9 ILE HD11 . 16037 1 102 . 1 1 9 9 ILE HD13 H 1 0.924 0.05 . 1 . . . . 9 ILE HD11 . 16037 1 103 . 1 1 9 9 ILE HG12 H 1 1.060 0.05 . 1 . . . . 9 ILE HG11 . 16037 1 104 . 1 1 9 9 ILE HG13 H 1 1.596 0.05 . 1 . . . . 9 ILE HG12 . 16037 1 105 . 1 1 9 9 ILE HG21 H 1 0.190 0.05 . 1 . . . . 9 ILE HG21 . 16037 1 106 . 1 1 9 9 ILE HG22 H 1 0.190 0.05 . 1 . . . . 9 ILE HG21 . 16037 1 107 . 1 1 9 9 ILE HG23 H 1 0.190 0.05 . 1 . . . . 9 ILE HG21 . 16037 1 108 . 1 1 9 9 ILE C C 13 175.376 0.5 . 1 . . . . 9 ILE C . 16037 1 109 . 1 1 9 9 ILE CA C 13 59.116 0.5 . 1 . . . . 9 ILE CA . 16037 1 110 . 1 1 9 9 ILE CB C 13 41.038 0.5 . 1 . . . . 9 ILE CB . 16037 1 111 . 1 1 9 9 ILE CD1 C 13 15.216 0.5 . 1 . . . . 9 ILE CD1 . 16037 1 112 . 1 1 9 9 ILE CG1 C 13 27.702 0.5 . 2 . . . . 9 ILE CG1 . 16037 1 113 . 1 1 9 9 ILE CG2 C 13 18.558 0.5 . 1 . . . . 9 ILE CG2 . 16037 1 114 . 1 1 9 9 ILE N N 15 123.018 0.5 . 1 . . . . 9 ILE N . 16037 1 115 . 1 1 10 10 TYR H H 1 8.039 0.05 . 1 . . . . 10 TYR HN . 16037 1 116 . 1 1 10 10 TYR HA H 1 5.232 0.05 . 1 . . . . 10 TYR HA . 16037 1 117 . 1 1 10 10 TYR HB2 H 1 2.291 0.05 . 2 . . . . 10 TYR HB1 . 16037 1 118 . 1 1 10 10 TYR HB3 H 1 3.034 0.05 . 2 . . . . 10 TYR HB2 . 16037 1 119 . 1 1 10 10 TYR HD1 H 1 6.579 0.05 . 3 . . . . 10 TYR HD1 . 16037 1 120 . 1 1 10 10 TYR HD2 H 1 6.569 0.05 . 3 . . . . 10 TYR HD2 . 16037 1 121 . 1 1 10 10 TYR HE1 H 1 6.753 0.05 . 3 . . . . 10 TYR HE1 . 16037 1 122 . 1 1 10 10 TYR HE2 H 1 6.753 0.05 . 3 . . . . 10 TYR HE2 . 16037 1 123 . 1 1 10 10 TYR C C 13 180.006 0.5 . 1 . . . . 10 TYR C . 16037 1 124 . 1 1 10 10 TYR CA C 13 55.914 0.5 . 1 . . . . 10 TYR CA . 16037 1 125 . 1 1 10 10 TYR CB C 13 42.248 0.5 . 1 . . . . 10 TYR CB . 16037 1 126 . 1 1 10 10 TYR CD1 C 13 131.195 0.5 . 3 . . . . 10 TYR CD1 . 16037 1 127 . 1 1 10 10 TYR CD2 C 13 131.195 0.5 . 3 . . . . 10 TYR CD2 . 16037 1 128 . 1 1 10 10 TYR CE1 C 13 117.914 0.5 . 3 . . . . 10 TYR CE1 . 16037 1 129 . 1 1 10 10 TYR CE2 C 13 117.914 0.5 . 3 . . . . 10 TYR CE2 . 16037 1 130 . 1 1 10 10 TYR N N 15 124.461 0.5 . 1 . . . . 10 TYR N . 16037 1 131 . 1 1 11 11 ARG H H 1 8.605 0.05 . 1 . . . . 11 ARG HN . 16037 1 132 . 1 1 11 11 ARG HA H 1 5.535 0.05 . 1 . . . . 11 ARG HA . 16037 1 133 . 1 1 11 11 ARG HB2 H 1 1.746 0.05 . 2 . . . . 11 ARG HB1 . 16037 1 134 . 1 1 11 11 ARG HB3 H 1 2.083 0.05 . 2 . . . . 11 ARG HB2 . 16037 1 135 . 1 1 11 11 ARG HD2 H 1 3.392 0.05 . 2 . . . . 11 ARG HD1 . 16037 1 136 . 1 1 11 11 ARG HD3 H 1 3.392 0.05 . 2 . . . . 11 ARG HD2 . 16037 1 137 . 1 1 11 11 ARG HE H 1 7.420 0.05 . 1 . . . . 11 ARG HE . 16037 1 138 . 1 1 11 11 ARG HG2 H 1 1.988 0.05 . 2 . . . . 11 ARG HG1 . 16037 1 139 . 1 1 11 11 ARG HG3 H 1 1.833 0.05 . 2 . . . . 11 ARG HG2 . 16037 1 140 . 1 1 11 11 ARG C C 13 173.886 0.5 . 1 . . . . 11 ARG C . 16037 1 141 . 1 1 11 11 ARG CA C 13 53.262 0.5 . 1 . . . . 11 ARG CA . 16037 1 142 . 1 1 11 11 ARG CB C 13 34.761 0.5 . 1 . . . . 11 ARG CB . 16037 1 143 . 1 1 11 11 ARG CD C 13 44.236 0.5 . 1 . . . . 11 ARG CD . 16037 1 144 . 1 1 11 11 ARG CG C 13 26.690 0.5 . 1 . . . . 11 ARG CG . 16037 1 145 . 1 1 11 11 ARG N N 15 117.517 0.5 . 1 . . . . 11 ARG N . 16037 1 146 . 1 1 11 11 ARG NE N 15 84.781 0.5 . 1 . . . . 11 ARG NE . 16037 1 147 . 1 1 12 12 SER H H 1 9.474 0.05 . 1 . . . . 12 SER HN . 16037 1 148 . 1 1 12 12 SER HA H 1 5.272 0.05 . 1 . . . . 12 SER HA . 16037 1 149 . 1 1 12 12 SER HB2 H 1 3.704 0.05 . 2 . . . . 12 SER HB1 . 16037 1 150 . 1 1 12 12 SER HB3 H 1 3.811 0.05 . 2 . . . . 12 SER HB2 . 16037 1 151 . 1 1 12 12 SER C C 13 174.699 0.5 . 1 . . . . 12 SER C . 16037 1 152 . 1 1 12 12 SER CA C 13 57.739 0.5 . 1 . . . . 12 SER CA . 16037 1 153 . 1 1 12 12 SER CB C 13 66.664 0.5 . 1 . . . . 12 SER CB . 16037 1 154 . 1 1 12 12 SER N N 15 119.265 0.5 . 1 . . . . 12 SER N . 16037 1 155 . 1 1 13 13 GLN H H 1 9.207 0.05 . 1 . . . . 13 GLN HN . 16037 1 156 . 1 1 13 13 GLN HA H 1 5.626 0.05 . 1 . . . . 13 GLN HA . 16037 1 157 . 1 1 13 13 GLN HB2 H 1 2.259 0.05 . 2 . . . . 13 GLN HB1 . 16037 1 158 . 1 1 13 13 GLN HB3 H 1 2.078 0.05 . 2 . . . . 13 GLN HB2 . 16037 1 159 . 1 1 13 13 GLN HE21 H 1 7.900 0.05 . 2 . . . . 13 GLN HE21 . 16037 1 160 . 1 1 13 13 GLN HE22 H 1 6.964 0.05 . 2 . . . . 13 GLN HE22 . 16037 1 161 . 1 1 13 13 GLN HG2 H 1 2.546 0.05 . 2 . . . . 13 GLN HG1 . 16037 1 162 . 1 1 13 13 GLN HG3 H 1 2.546 0.05 . 2 . . . . 13 GLN HG2 . 16037 1 163 . 1 1 13 13 GLN C C 13 175.591 0.5 . 1 . . . . 13 GLN C . 16037 1 164 . 1 1 13 13 GLN CA C 13 54.713 0.5 . 1 . . . . 13 GLN CA . 16037 1 165 . 1 1 13 13 GLN CB C 13 33.284 0.5 . 1 . . . . 13 GLN CB . 16037 1 166 . 1 1 13 13 GLN CD C 13 180.456 0.5 . 1 . . . . 13 GLN CD . 16037 1 167 . 1 1 13 13 GLN CG C 13 34.486 0.5 . 1 . . . . 13 GLN CG . 16037 1 168 . 1 1 13 13 GLN N N 15 116.670 0.5 . 1 . . . . 13 GLN N . 16037 1 169 . 1 1 13 13 GLN NE2 N 15 111.506 0.5 . 1 . . . . 13 GLN NE2 . 16037 1 170 . 1 1 14 14 VAL H H 1 8.284 0.05 . 1 . . . . 14 VAL HN . 16037 1 171 . 1 1 14 14 VAL HA H 1 4.608 0.05 . 1 . . . . 14 VAL HA . 16037 1 172 . 1 1 14 14 VAL HB H 1 2.411 0.05 . 1 . . . . 14 VAL HB . 16037 1 173 . 1 1 14 14 VAL HG11 H 1 1.110 0.05 . 2 . . . . 14 VAL HG11 . 16037 1 174 . 1 1 14 14 VAL HG12 H 1 1.110 0.05 . 2 . . . . 14 VAL HG11 . 16037 1 175 . 1 1 14 14 VAL HG13 H 1 1.110 0.05 . 2 . . . . 14 VAL HG11 . 16037 1 176 . 1 1 14 14 VAL HG21 H 1 1.174 0.05 . 2 . . . . 14 VAL HG21 . 16037 1 177 . 1 1 14 14 VAL HG22 H 1 1.174 0.05 . 2 . . . . 14 VAL HG21 . 16037 1 178 . 1 1 14 14 VAL HG23 H 1 1.174 0.05 . 2 . . . . 14 VAL HG21 . 16037 1 179 . 1 1 14 14 VAL C C 13 174.336 0.5 . 1 . . . . 14 VAL C . 16037 1 180 . 1 1 14 14 VAL CA C 13 61.824 0.5 . 1 . . . . 14 VAL CA . 16037 1 181 . 1 1 14 14 VAL CB C 13 32.901 0.5 . 1 . . . . 14 VAL CB . 16037 1 182 . 1 1 14 14 VAL CG1 C 13 19.965 0.5 . 1 . . . . 14 VAL CG1 . 16037 1 183 . 1 1 14 14 VAL CG2 C 13 22.670 0.5 . 1 . . . . 14 VAL CG2 . 16037 1 184 . 1 1 14 14 VAL N N 15 115.636 0.5 . 1 . . . . 14 VAL N . 16037 1 185 . 1 1 15 15 HIS H H 1 8.582 0.05 . 1 . . . . 15 HIS HN . 16037 1 186 . 1 1 15 15 HIS HA H 1 4.628 0.05 . 1 . . . . 15 HIS HA . 16037 1 187 . 1 1 15 15 HIS HB2 H 1 3.139 0.05 . 2 . . . . 15 HIS HB1 . 16037 1 188 . 1 1 15 15 HIS HB3 H 1 2.919 0.05 . 2 . . . . 15 HIS HB2 . 16037 1 189 . 1 1 15 15 HIS HD2 H 1 7.042 0.05 . 1 . . . . 15 HIS HD2 . 16037 1 190 . 1 1 15 15 HIS HE2 H 1 8.248 0.05 . 1 . . . . 15 HIS HE2 . 16037 1 191 . 1 1 15 15 HIS CA C 13 55.062 0.5 . 1 . . . . 15 HIS CA . 16037 1 192 . 1 1 15 15 HIS CB C 13 31.696 0.5 . 1 . . . . 15 HIS CB . 16037 1 193 . 1 1 15 15 HIS CD2 C 13 118.756 0.5 . 1 . . . . 15 HIS CD2 . 16037 1 194 . 1 1 15 15 HIS N N 15 123.353 0.5 . 1 . . . . 15 HIS N . 16037 1 195 . 1 1 16 16 PRO HA H 1 4.490 0.05 . 1 . . . . 16 PRO HA . 16037 1 196 . 1 1 16 16 PRO HB2 H 1 2.050 0.05 . 2 . . . . 16 PRO HB1 . 16037 1 197 . 1 1 16 16 PRO HB3 H 1 2.322 0.05 . 2 . . . . 16 PRO HB2 . 16037 1 198 . 1 1 16 16 PRO HD2 H 1 3.688 0.05 . 2 . . . . 16 PRO HD1 . 16037 1 199 . 1 1 16 16 PRO HD3 H 1 3.980 0.05 . 2 . . . . 16 PRO HD2 . 16037 1 200 . 1 1 16 16 PRO HG2 H 1 2.030 0.05 . 2 . . . . 16 PRO HG1 . 16037 1 201 . 1 1 16 16 PRO HG3 H 1 2.030 0.05 . 2 . . . . 16 PRO HG2 . 16037 1 202 . 1 1 16 16 PRO C C 13 176.709 0.5 . 1 . . . . 16 PRO C . 16037 1 203 . 1 1 16 16 PRO CA C 13 64.228 0.5 . 1 . . . . 16 PRO CA . 16037 1 204 . 1 1 16 16 PRO CB C 13 32.268 0.5 . 1 . . . . 16 PRO CB . 16037 1 205 . 1 1 16 16 PRO CD C 13 51.071 0.5 . 1 . . . . 16 PRO CD . 16037 1 206 . 1 1 16 16 PRO CG C 13 27.356 0.5 . 1 . . . . 16 PRO CG . 16037 1 207 . 1 1 17 17 ASP H H 1 9.179 0.05 . 1 . . . . 17 ASP HN . 16037 1 208 . 1 1 17 17 ASP HA H 1 4.687 0.05 . 1 . . . . 17 ASP HA . 16037 1 209 . 1 1 17 17 ASP HB2 H 1 2.760 0.05 . 2 . . . . 17 ASP HB1 . 16037 1 210 . 1 1 17 17 ASP HB3 H 1 2.760 0.05 . 2 . . . . 17 ASP HB2 . 16037 1 211 . 1 1 17 17 ASP C C 13 175.587 0.5 . 1 . . . . 17 ASP C . 16037 1 212 . 1 1 17 17 ASP CA C 13 53.969 0.5 . 1 . . . . 17 ASP CA . 16037 1 213 . 1 1 17 17 ASP CB C 13 40.433 0.5 . 1 . . . . 17 ASP CB . 16037 1 214 . 1 1 17 17 ASP N N 15 116.402 0.5 . 1 . . . . 17 ASP N . 16037 1 215 . 1 1 18 18 ARG H H 1 7.280 0.05 . 1 . . . . 18 ARG HN . 16037 1 216 . 1 1 18 18 ARG HA H 1 4.748 0.05 . 1 . . . . 18 ARG HA . 16037 1 217 . 1 1 18 18 ARG HB2 H 1 1.716 0.05 . 2 . . . . 18 ARG HB1 . 16037 1 218 . 1 1 18 18 ARG HB3 H 1 1.995 0.05 . 2 . . . . 18 ARG HB2 . 16037 1 219 . 1 1 18 18 ARG HD2 H 1 2.985 0.05 . 2 . . . . 18 ARG HD1 . 16037 1 220 . 1 1 18 18 ARG HD3 H 1 3.139 0.05 . 2 . . . . 18 ARG HD2 . 16037 1 221 . 1 1 18 18 ARG HG2 H 1 1.555 0.05 . 2 . . . . 18 ARG HG1 . 16037 1 222 . 1 1 18 18 ARG HG3 H 1 1.621 0.05 . 2 . . . . 18 ARG HG2 . 16037 1 223 . 1 1 18 18 ARG CA C 13 53.755 0.5 . 1 . . . . 18 ARG CA . 16037 1 224 . 1 1 18 18 ARG CB C 13 30.672 0.5 . 1 . . . . 18 ARG CB . 16037 1 225 . 1 1 18 18 ARG CD C 13 43.275 0.5 . 1 . . . . 18 ARG CD . 16037 1 226 . 1 1 18 18 ARG CG C 13 27.571 0.5 . 1 . . . . 18 ARG CG . 16037 1 227 . 1 1 18 18 ARG N N 15 118.899 0.5 . 1 . . . . 18 ARG N . 16037 1 228 . 1 1 19 19 PRO HA H 1 4.702 0.05 . 1 . . . . 19 PRO HA . 16037 1 229 . 1 1 19 19 PRO HB2 H 1 1.832 0.05 . 2 . . . . 19 PRO HB1 . 16037 1 230 . 1 1 19 19 PRO HB3 H 1 2.452 0.05 . 2 . . . . 19 PRO HB2 . 16037 1 231 . 1 1 19 19 PRO HD2 H 1 3.804 0.05 . 2 . . . . 19 PRO HD1 . 16037 1 232 . 1 1 19 19 PRO HD3 H 1 3.553 0.05 . 2 . . . . 19 PRO HD2 . 16037 1 233 . 1 1 19 19 PRO HG2 H 1 2.050 0.05 . 2 . . . . 19 PRO HG1 . 16037 1 234 . 1 1 19 19 PRO HG3 H 1 2.050 0.05 . 2 . . . . 19 PRO HG2 . 16037 1 235 . 1 1 19 19 PRO CA C 13 61.746 0.5 . 1 . . . . 19 PRO CA . 16037 1 236 . 1 1 19 19 PRO CB C 13 30.793 0.5 . 1 . . . . 19 PRO CB . 16037 1 237 . 1 1 19 19 PRO CD C 13 50.558 0.5 . 1 . . . . 19 PRO CD . 16037 1 238 . 1 1 19 19 PRO CG C 13 27.436 0.5 . 1 . . . . 19 PRO CG . 16037 1 239 . 1 1 20 20 PRO HA H 1 4.566 0.05 . 1 . . . . 20 PRO HA . 16037 1 240 . 1 1 20 20 PRO HB2 H 1 1.874 0.05 . 2 . . . . 20 PRO HB1 . 16037 1 241 . 1 1 20 20 PRO HB3 H 1 2.378 0.05 . 2 . . . . 20 PRO HB2 . 16037 1 242 . 1 1 20 20 PRO HD2 H 1 3.895 0.05 . 2 . . . . 20 PRO HD1 . 16037 1 243 . 1 1 20 20 PRO HD3 H 1 3.641 0.05 . 2 . . . . 20 PRO HD2 . 16037 1 244 . 1 1 20 20 PRO HG2 H 1 2.084 0.05 . 2 . . . . 20 PRO HG1 . 16037 1 245 . 1 1 20 20 PRO HG3 H 1 2.115 0.05 . 2 . . . . 20 PRO HG2 . 16037 1 246 . 1 1 20 20 PRO C C 13 177.076 0.5 . 1 . . . . 20 PRO C . 16037 1 247 . 1 1 20 20 PRO CA C 13 62.885 0.5 . 1 . . . . 20 PRO CA . 16037 1 248 . 1 1 20 20 PRO CB C 13 31.980 0.5 . 1 . . . . 20 PRO CB . 16037 1 249 . 1 1 20 20 PRO CD C 13 50.385 0.5 . 1 . . . . 20 PRO CD . 16037 1 250 . 1 1 20 20 PRO CG C 13 27.732 0.5 . 1 . . . . 20 PRO CG . 16037 1 251 . 1 1 21 21 VAL H H 1 8.561 0.05 . 1 . . . . 21 VAL HN . 16037 1 252 . 1 1 21 21 VAL HA H 1 3.845 0.05 . 1 . . . . 21 VAL HA . 16037 1 253 . 1 1 21 21 VAL HB H 1 1.920 0.05 . 1 . . . . 21 VAL HB . 16037 1 254 . 1 1 21 21 VAL HG11 H 1 0.760 0.05 . 2 . . . . 21 VAL HG11 . 16037 1 255 . 1 1 21 21 VAL HG12 H 1 0.760 0.05 . 2 . . . . 21 VAL HG11 . 16037 1 256 . 1 1 21 21 VAL HG13 H 1 0.760 0.05 . 2 . . . . 21 VAL HG11 . 16037 1 257 . 1 1 21 21 VAL HG21 H 1 1.083 0.05 . 2 . . . . 21 VAL HG21 . 16037 1 258 . 1 1 21 21 VAL HG22 H 1 1.083 0.05 . 2 . . . . 21 VAL HG21 . 16037 1 259 . 1 1 21 21 VAL HG23 H 1 1.083 0.05 . 2 . . . . 21 VAL HG21 . 16037 1 260 . 1 1 21 21 VAL C C 13 175.525 0.5 . 1 . . . . 21 VAL C . 16037 1 261 . 1 1 21 21 VAL CA C 13 62.281 0.5 . 1 . . . . 21 VAL CA . 16037 1 262 . 1 1 21 21 VAL CB C 13 32.877 0.5 . 1 . . . . 21 VAL CB . 16037 1 263 . 1 1 21 21 VAL CG1 C 13 21.779 0.5 . 1 . . . . 21 VAL CG1 . 16037 1 264 . 1 1 21 21 VAL CG2 C 13 21.979 0.5 . 1 . . . . 21 VAL CG2 . 16037 1 265 . 1 1 21 21 VAL N N 15 123.376 0.5 . 1 . . . . 21 VAL N . 16037 1 266 . 1 1 22 22 ASP H H 1 8.401 0.05 . 1 . . . . 22 ASP HN . 16037 1 267 . 1 1 22 22 ASP HA H 1 4.614 0.05 . 1 . . . . 22 ASP HA . 16037 1 268 . 1 1 22 22 ASP HB2 H 1 2.575 0.05 . 2 . . . . 22 ASP HB1 . 16037 1 269 . 1 1 22 22 ASP HB3 H 1 2.843 0.05 . 2 . . . . 22 ASP HB2 . 16037 1 270 . 1 1 22 22 ASP C C 13 176.325 0.5 . 1 . . . . 22 ASP C . 16037 1 271 . 1 1 22 22 ASP CA C 13 52.803 0.5 . 1 . . . . 22 ASP CA . 16037 1 272 . 1 1 22 22 ASP CB C 13 39.569 0.5 . 1 . . . . 22 ASP CB . 16037 1 273 . 1 1 22 22 ASP N N 15 124.605 0.5 . 1 . . . . 22 ASP N . 16037 1 274 . 1 1 23 23 LEU H H 1 8.288 0.05 . 1 . . . . 23 LEU HN . 16037 1 275 . 1 1 23 23 LEU HA H 1 3.661 0.05 . 1 . . . . 23 LEU HA . 16037 1 276 . 1 1 23 23 LEU HB2 H 1 1.341 0.05 . 2 . . . . 23 LEU HB1 . 16037 1 277 . 1 1 23 23 LEU HB3 H 1 1.694 0.05 . 2 . . . . 23 LEU HB2 . 16037 1 278 . 1 1 23 23 LEU HD11 H 1 0.669 0.05 . 2 . . . . 23 LEU HD11 . 16037 1 279 . 1 1 23 23 LEU HD12 H 1 0.669 0.05 . 2 . . . . 23 LEU HD11 . 16037 1 280 . 1 1 23 23 LEU HD13 H 1 0.669 0.05 . 2 . . . . 23 LEU HD11 . 16037 1 281 . 1 1 23 23 LEU HD21 H 1 0.430 0.05 . 2 . . . . 23 LEU HD21 . 16037 1 282 . 1 1 23 23 LEU HD22 H 1 0.430 0.05 . 2 . . . . 23 LEU HD21 . 16037 1 283 . 1 1 23 23 LEU HD23 H 1 0.430 0.05 . 2 . . . . 23 LEU HD21 . 16037 1 284 . 1 1 23 23 LEU HG H 1 1.617 0.05 . 1 . . . . 23 LEU HG . 16037 1 285 . 1 1 23 23 LEU C C 13 177.948 0.5 . 1 . . . . 23 LEU C . 16037 1 286 . 1 1 23 23 LEU CA C 13 57.211 0.5 . 1 . . . . 23 LEU CA . 16037 1 287 . 1 1 23 23 LEU CB C 13 41.912 0.5 . 1 . . . . 23 LEU CB . 16037 1 288 . 1 1 23 23 LEU CD1 C 13 24.976 0.5 . 1 . . . . 23 LEU CD1 . 16037 1 289 . 1 1 23 23 LEU CD2 C 13 22.791 0.5 . 1 . . . . 23 LEU CD2 . 16037 1 290 . 1 1 23 23 LEU CG C 13 26.605 0.5 . 1 . . . . 23 LEU CG . 16037 1 291 . 1 1 23 23 LEU N N 15 128.342 0.5 . 1 . . . . 23 LEU N . 16037 1 292 . 1 1 24 24 ASP H H 1 7.975 0.05 . 1 . . . . 24 ASP HN . 16037 1 293 . 1 1 24 24 ASP HA H 1 4.188 0.05 . 1 . . . . 24 ASP HA . 16037 1 294 . 1 1 24 24 ASP HB2 H 1 2.546 0.05 . 2 . . . . 24 ASP HB1 . 16037 1 295 . 1 1 24 24 ASP HB3 H 1 2.677 0.05 . 2 . . . . 24 ASP HB2 . 16037 1 296 . 1 1 24 24 ASP C C 13 178.583 0.5 . 1 . . . . 24 ASP C . 16037 1 297 . 1 1 24 24 ASP CA C 13 57.376 0.5 . 1 . . . . 24 ASP CA . 16037 1 298 . 1 1 24 24 ASP CB C 13 40.570 0.5 . 1 . . . . 24 ASP CB . 16037 1 299 . 1 1 24 24 ASP N N 15 118.777 0.5 . 1 . . . . 24 ASP N . 16037 1 300 . 1 1 25 25 ALA H H 1 7.690 0.05 . 1 . . . . 25 ALA HN . 16037 1 301 . 1 1 25 25 ALA HA H 1 4.020 0.05 . 1 . . . . 25 ALA HA . 16037 1 302 . 1 1 25 25 ALA HB1 H 1 1.253 0.05 . 1 . . . . 25 ALA HB1 . 16037 1 303 . 1 1 25 25 ALA HB2 H 1 1.253 0.05 . 1 . . . . 25 ALA HB1 . 16037 1 304 . 1 1 25 25 ALA HB3 H 1 1.253 0.05 . 1 . . . . 25 ALA HB1 . 16037 1 305 . 1 1 25 25 ALA C C 13 180.031 0.5 . 1 . . . . 25 ALA C . 16037 1 306 . 1 1 25 25 ALA CA C 13 54.585 0.5 . 1 . . . . 25 ALA CA . 16037 1 307 . 1 1 25 25 ALA CB C 13 18.512 0.5 . 1 . . . . 25 ALA CB . 16037 1 308 . 1 1 25 25 ALA N N 15 122.506 0.5 . 1 . . . . 25 ALA N . 16037 1 309 . 1 1 26 26 LEU H H 1 7.418 0.05 . 1 . . . . 26 LEU HN . 16037 1 310 . 1 1 26 26 LEU HA H 1 3.600 0.05 . 1 . . . . 26 LEU HA . 16037 1 311 . 1 1 26 26 LEU HB2 H 1 1.417 0.05 . 2 . . . . 26 LEU HB1 . 16037 1 312 . 1 1 26 26 LEU HB3 H 1 1.369 0.05 . 2 . . . . 26 LEU HB2 . 16037 1 313 . 1 1 26 26 LEU HD11 H 1 -0.201 0.05 . 2 . . . . 26 LEU HD11 . 16037 1 314 . 1 1 26 26 LEU HD12 H 1 -0.201 0.05 . 2 . . . . 26 LEU HD11 . 16037 1 315 . 1 1 26 26 LEU HD13 H 1 -0.201 0.05 . 2 . . . . 26 LEU HD11 . 16037 1 316 . 1 1 26 26 LEU HD21 H 1 -0.593 0.05 . 2 . . . . 26 LEU HD21 . 16037 1 317 . 1 1 26 26 LEU HD22 H 1 -0.593 0.05 . 2 . . . . 26 LEU HD21 . 16037 1 318 . 1 1 26 26 LEU HD23 H 1 -0.593 0.05 . 2 . . . . 26 LEU HD21 . 16037 1 319 . 1 1 26 26 LEU HG H 1 0.601 0.05 . 1 . . . . 26 LEU HG . 16037 1 320 . 1 1 26 26 LEU C C 13 179.880 0.5 . 1 . . . . 26 LEU C . 16037 1 321 . 1 1 26 26 LEU CA C 13 58.814 0.5 . 1 . . . . 26 LEU CA . 16037 1 322 . 1 1 26 26 LEU CB C 13 42.601 0.5 . 1 . . . . 26 LEU CB . 16037 1 323 . 1 1 26 26 LEU CD1 C 13 24.554 0.5 . 1 . . . . 26 LEU CD1 . 16037 1 324 . 1 1 26 26 LEU CD2 C 13 23.140 0.5 . 1 . . . . 26 LEU CD2 . 16037 1 325 . 1 1 26 26 LEU CG C 13 26.755 0.5 . 1 . . . . 26 LEU CG . 16037 1 326 . 1 1 26 26 LEU N N 15 119.102 0.5 . 1 . . . . 26 LEU N . 16037 1 327 . 1 1 27 27 VAL H H 1 8.232 0.05 . 1 . . . . 27 VAL HN . 16037 1 328 . 1 1 27 27 VAL HA H 1 3.082 0.05 . 1 . . . . 27 VAL HA . 16037 1 329 . 1 1 27 27 VAL HB H 1 1.964 0.05 . 1 . . . . 27 VAL HB . 16037 1 330 . 1 1 27 27 VAL HG11 H 1 0.780 0.05 . 2 . . . . 27 VAL HG11 . 16037 1 331 . 1 1 27 27 VAL HG12 H 1 0.780 0.05 . 2 . . . . 27 VAL HG11 . 16037 1 332 . 1 1 27 27 VAL HG13 H 1 0.780 0.05 . 2 . . . . 27 VAL HG11 . 16037 1 333 . 1 1 27 27 VAL HG21 H 1 0.756 0.05 . 2 . . . . 27 VAL HG21 . 16037 1 334 . 1 1 27 27 VAL HG22 H 1 0.756 0.05 . 2 . . . . 27 VAL HG21 . 16037 1 335 . 1 1 27 27 VAL HG23 H 1 0.756 0.05 . 2 . . . . 27 VAL HG21 . 16037 1 336 . 1 1 27 27 VAL C C 13 174.884 0.5 . 1 . . . . 27 VAL C . 16037 1 337 . 1 1 27 27 VAL CA C 13 66.582 0.5 . 1 . . . . 27 VAL CA . 16037 1 338 . 1 1 27 27 VAL CB C 13 31.065 0.5 . 1 . . . . 27 VAL CB . 16037 1 339 . 1 1 27 27 VAL CG1 C 13 24.062 0.5 . 1 . . . . 27 VAL CG1 . 16037 1 340 . 1 1 27 27 VAL CG2 C 13 21.471 0.5 . 1 . . . . 27 VAL CG2 . 16037 1 341 . 1 1 27 27 VAL N N 15 119.133 0.5 . 1 . . . . 27 VAL N . 16037 1 342 . 1 1 28 28 HIS H H 1 8.226 0.05 . 1 . . . . 28 HIS HN . 16037 1 343 . 1 1 28 28 HIS HA H 1 4.342 0.05 . 1 . . . . 28 HIS HA . 16037 1 344 . 1 1 28 28 HIS HB2 H 1 3.213 0.05 . 2 . . . . 28 HIS HB1 . 16037 1 345 . 1 1 28 28 HIS HB3 H 1 3.153 0.05 . 2 . . . . 28 HIS HB2 . 16037 1 346 . 1 1 28 28 HIS HD2 H 1 7.132 0.05 . 1 . . . . 28 HIS HD2 . 16037 1 347 . 1 1 28 28 HIS C C 13 178.422 0.5 . 1 . . . . 28 HIS C . 16037 1 348 . 1 1 28 28 HIS CA C 13 59.852 0.5 . 1 . . . . 28 HIS CA . 16037 1 349 . 1 1 28 28 HIS CB C 13 29.585 0.5 . 1 . . . . 28 HIS CB . 16037 1 350 . 1 1 28 28 HIS CD2 C 13 119.546 0.5 . 1 . . . . 28 HIS CD2 . 16037 1 351 . 1 1 28 28 HIS N N 15 121.641 0.5 . 1 . . . . 28 HIS N . 16037 1 352 . 1 1 29 29 ARG H H 1 7.833 0.05 . 1 . . . . 29 ARG HN . 16037 1 353 . 1 1 29 29 ARG HA H 1 3.908 0.05 . 1 . . . . 29 ARG HA . 16037 1 354 . 1 1 29 29 ARG HB2 H 1 1.852 0.05 . 2 . . . . 29 ARG HB1 . 16037 1 355 . 1 1 29 29 ARG HB3 H 1 1.685 0.05 . 2 . . . . 29 ARG HB2 . 16037 1 356 . 1 1 29 29 ARG HD2 H 1 3.158 0.05 . 2 . . . . 29 ARG HD1 . 16037 1 357 . 1 1 29 29 ARG HD3 H 1 3.200 0.05 . 2 . . . . 29 ARG HD2 . 16037 1 358 . 1 1 29 29 ARG HG2 H 1 1.547 0.05 . 2 . . . . 29 ARG HG1 . 16037 1 359 . 1 1 29 29 ARG HG3 H 1 1.547 0.05 . 2 . . . . 29 ARG HG2 . 16037 1 360 . 1 1 29 29 ARG C C 13 178.006 0.5 . 1 . . . . 29 ARG C . 16037 1 361 . 1 1 29 29 ARG CA C 13 59.222 0.5 . 1 . . . . 29 ARG CA . 16037 1 362 . 1 1 29 29 ARG CB C 13 29.659 0.5 . 1 . . . . 29 ARG CB . 16037 1 363 . 1 1 29 29 ARG CG C 13 27.447 0.5 . 1 . . . . 29 ARG CG . 16037 1 364 . 1 1 29 29 ARG N N 15 118.840 0.5 . 1 . . . . 29 ARG N . 16037 1 365 . 1 1 30 30 ALA H H 1 7.843 0.05 . 1 . . . . 30 ALA HN . 16037 1 366 . 1 1 30 30 ALA HA H 1 3.661 0.05 . 1 . . . . 30 ALA HA . 16037 1 367 . 1 1 30 30 ALA HB1 H 1 0.750 0.05 . 1 . . . . 30 ALA HB1 . 16037 1 368 . 1 1 30 30 ALA HB2 H 1 0.750 0.05 . 1 . . . . 30 ALA HB1 . 16037 1 369 . 1 1 30 30 ALA HB3 H 1 0.750 0.05 . 1 . . . . 30 ALA HB1 . 16037 1 370 . 1 1 30 30 ALA C C 13 178.273 0.5 . 1 . . . . 30 ALA C . 16037 1 371 . 1 1 30 30 ALA CA C 13 54.398 0.5 . 1 . . . . 30 ALA CA . 16037 1 372 . 1 1 30 30 ALA CB C 13 18.148 0.5 . 1 . . . . 30 ALA CB . 16037 1 373 . 1 1 30 30 ALA N N 15 119.521 0.5 . 1 . . . . 30 ALA N . 16037 1 374 . 1 1 31 31 SER H H 1 8.642 0.05 . 1 . . . . 31 SER HN . 16037 1 375 . 1 1 31 31 SER HA H 1 3.675 0.05 . 1 . . . . 31 SER HA . 16037 1 376 . 1 1 31 31 SER HB2 H 1 4.049 0.05 . 2 . . . . 31 SER HB1 . 16037 1 377 . 1 1 31 31 SER HB3 H 1 4.049 0.05 . 2 . . . . 31 SER HB2 . 16037 1 378 . 1 1 31 31 SER C C 13 176.802 0.5 . 1 . . . . 31 SER C . 16037 1 379 . 1 1 31 31 SER CA C 13 61.849 0.5 . 1 . . . . 31 SER CA . 16037 1 380 . 1 1 31 31 SER CB C 13 63.096 0.5 . 1 . . . . 31 SER CB . 16037 1 381 . 1 1 31 31 SER N N 15 111.108 0.5 . 1 . . . . 31 SER N . 16037 1 382 . 1 1 32 32 SER H H 1 7.368 0.05 . 1 . . . . 32 SER HN . 16037 1 383 . 1 1 32 32 SER HA H 1 4.218 0.05 . 1 . . . . 32 SER HA . 16037 1 384 . 1 1 32 32 SER HB2 H 1 3.875 0.05 . 2 . . . . 32 SER HB1 . 16037 1 385 . 1 1 32 32 SER HB3 H 1 3.904 0.05 . 2 . . . . 32 SER HB2 . 16037 1 386 . 1 1 32 32 SER C C 13 172.885 0.5 . 1 . . . . 32 SER C . 16037 1 387 . 1 1 32 32 SER CA C 13 61.174 0.5 . 1 . . . . 32 SER CA . 16037 1 388 . 1 1 32 32 SER CB C 13 63.113 0.5 . 1 . . . . 32 SER CB . 16037 1 389 . 1 1 32 32 SER N N 15 112.039 0.5 . 1 . . . . 32 SER N . 16037 1 390 . 1 1 33 33 LYS H H 1 7.874 0.05 . 1 . . . . 33 LYS HN . 16037 1 391 . 1 1 33 33 LYS HA H 1 4.125 0.05 . 1 . . . . 33 LYS HA . 16037 1 392 . 1 1 33 33 LYS HB2 H 1 1.718 0.05 . 2 . . . . 33 LYS HB1 . 16037 1 393 . 1 1 33 33 LYS HB3 H 1 2.033 0.05 . 2 . . . . 33 LYS HB2 . 16037 1 394 . 1 1 33 33 LYS HD2 H 1 1.954 0.05 . 2 . . . . 33 LYS HD1 . 16037 1 395 . 1 1 33 33 LYS HD3 H 1 1.744 0.05 . 2 . . . . 33 LYS HD2 . 16037 1 396 . 1 1 33 33 LYS HE2 H 1 2.843 0.05 . 2 . . . . 33 LYS HE1 . 16037 1 397 . 1 1 33 33 LYS HE3 H 1 2.937 0.05 . 2 . . . . 33 LYS HE2 . 16037 1 398 . 1 1 33 33 LYS HG2 H 1 1.401 0.05 . 2 . . . . 33 LYS HG1 . 16037 1 399 . 1 1 33 33 LYS HG3 H 1 1.475 0.05 . 2 . . . . 33 LYS HG2 . 16037 1 400 . 1 1 33 33 LYS C C 13 178.537 0.5 . 1 . . . . 33 LYS C . 16037 1 401 . 1 1 33 33 LYS CA C 13 58.704 0.5 . 1 . . . . 33 LYS CA . 16037 1 402 . 1 1 33 33 LYS CB C 13 32.840 0.5 . 1 . . . . 33 LYS CB . 16037 1 403 . 1 1 33 33 LYS CD C 13 30.046 0.5 . 1 . . . . 33 LYS CD . 16037 1 404 . 1 1 33 33 LYS CE C 13 42.262 0.5 . 1 . . . . 33 LYS CE . 16037 1 405 . 1 1 33 33 LYS CG C 13 25.565 0.5 . 1 . . . . 33 LYS CG . 16037 1 406 . 1 1 33 33 LYS N N 15 122.119 0.5 . 1 . . . . 33 LYS N . 16037 1 407 . 1 1 34 34 ASN H H 1 8.557 0.05 . 1 . . . . 34 ASN HN . 16037 1 408 . 1 1 34 34 ASN HA H 1 4.279 0.05 . 1 . . . . 34 ASN HA . 16037 1 409 . 1 1 34 34 ASN HB2 H 1 2.671 0.05 . 2 . . . . 34 ASN HB1 . 16037 1 410 . 1 1 34 34 ASN HB3 H 1 3.400 0.05 . 2 . . . . 34 ASN HB2 . 16037 1 411 . 1 1 34 34 ASN HD21 H 1 7.096 0.05 . 2 . . . . 34 ASN HD21 . 16037 1 412 . 1 1 34 34 ASN HD22 H 1 6.960 0.05 . 2 . . . . 34 ASN HD22 . 16037 1 413 . 1 1 34 34 ASN C C 13 178.591 0.5 . 1 . . . . 34 ASN C . 16037 1 414 . 1 1 34 34 ASN CA C 13 55.339 0.5 . 1 . . . . 34 ASN CA . 16037 1 415 . 1 1 34 34 ASN CB C 13 37.226 0.5 . 1 . . . . 34 ASN CB . 16037 1 416 . 1 1 34 34 ASN N N 15 116.821 0.5 . 1 . . . . 34 ASN N . 16037 1 417 . 1 1 34 34 ASN ND2 N 15 103.316 0.5 . 1 . . . . 34 ASN ND2 . 16037 1 418 . 1 1 35 35 LEU H H 1 7.430 0.05 . 1 . . . . 35 LEU HN . 16037 1 419 . 1 1 35 35 LEU HA H 1 4.484 0.05 . 1 . . . . 35 LEU HA . 16037 1 420 . 1 1 35 35 LEU HB2 H 1 1.901 0.05 . 2 . . . . 35 LEU HB1 . 16037 1 421 . 1 1 35 35 LEU HB3 H 1 1.702 0.05 . 2 . . . . 35 LEU HB2 . 16037 1 422 . 1 1 35 35 LEU HD11 H 1 0.886 0.05 . 2 . . . . 35 LEU HD11 . 16037 1 423 . 1 1 35 35 LEU HD12 H 1 0.886 0.05 . 2 . . . . 35 LEU HD11 . 16037 1 424 . 1 1 35 35 LEU HD13 H 1 0.886 0.05 . 2 . . . . 35 LEU HD11 . 16037 1 425 . 1 1 35 35 LEU HD21 H 1 0.912 0.05 . 2 . . . . 35 LEU HD21 . 16037 1 426 . 1 1 35 35 LEU HD22 H 1 0.912 0.05 . 2 . . . . 35 LEU HD21 . 16037 1 427 . 1 1 35 35 LEU HD23 H 1 0.912 0.05 . 2 . . . . 35 LEU HD21 . 16037 1 428 . 1 1 35 35 LEU HG H 1 1.666 0.05 . 1 . . . . 35 LEU HG . 16037 1 429 . 1 1 35 35 LEU CA C 13 60.256 0.5 . 1 . . . . 35 LEU CA . 16037 1 430 . 1 1 35 35 LEU CB C 13 39.479 0.5 . 1 . . . . 35 LEU CB . 16037 1 431 . 1 1 35 35 LEU CD1 C 13 24.582 0.5 . 1 . . . . 35 LEU CD1 . 16037 1 432 . 1 1 35 35 LEU CD2 C 13 24.791 0.5 . 1 . . . . 35 LEU CD2 . 16037 1 433 . 1 1 35 35 LEU CG C 13 27.792 0.5 . 1 . . . . 35 LEU CG . 16037 1 434 . 1 1 35 35 LEU N N 15 118.714 0.5 . 1 . . . . 35 LEU N . 16037 1 435 . 1 1 36 36 PRO HA H 1 4.499 0.05 . 1 . . . . 36 PRO HA . 16037 1 436 . 1 1 36 36 PRO HB2 H 1 1.947 0.05 . 2 . . . . 36 PRO HB1 . 16037 1 437 . 1 1 36 36 PRO HB3 H 1 2.394 0.05 . 2 . . . . 36 PRO HB2 . 16037 1 438 . 1 1 36 36 PRO HD2 H 1 3.927 0.05 . 2 . . . . 36 PRO HD1 . 16037 1 439 . 1 1 36 36 PRO HD3 H 1 3.650 0.05 . 2 . . . . 36 PRO HD2 . 16037 1 440 . 1 1 36 36 PRO HG2 H 1 2.029 0.05 . 2 . . . . 36 PRO HG1 . 16037 1 441 . 1 1 36 36 PRO HG3 H 1 2.131 0.05 . 2 . . . . 36 PRO HG2 . 16037 1 442 . 1 1 36 36 PRO C C 13 177.727 0.5 . 1 . . . . 36 PRO C . 16037 1 443 . 1 1 36 36 PRO CA C 13 65.378 0.5 . 1 . . . . 36 PRO CA . 16037 1 444 . 1 1 36 36 PRO CB C 13 31.191 0.5 . 1 . . . . 36 PRO CB . 16037 1 445 . 1 1 36 36 PRO CD C 13 50.900 0.5 . 1 . . . . 36 PRO CD . 16037 1 446 . 1 1 36 36 PRO CG C 13 27.986 0.5 . 1 . . . . 36 PRO CG . 16037 1 447 . 1 1 37 37 LEU H H 1 6.960 0.05 . 1 . . . . 37 LEU HN . 16037 1 448 . 1 1 37 37 LEU HA H 1 4.454 0.05 . 1 . . . . 37 LEU HA . 16037 1 449 . 1 1 37 37 LEU HB2 H 1 1.997 0.05 . 2 . . . . 37 LEU HB1 . 16037 1 450 . 1 1 37 37 LEU HB3 H 1 1.656 0.05 . 2 . . . . 37 LEU HB2 . 16037 1 451 . 1 1 37 37 LEU HD11 H 1 0.902 0.05 . 2 . . . . 37 LEU HD11 . 16037 1 452 . 1 1 37 37 LEU HD12 H 1 0.902 0.05 . 2 . . . . 37 LEU HD11 . 16037 1 453 . 1 1 37 37 LEU HD13 H 1 0.902 0.05 . 2 . . . . 37 LEU HD11 . 16037 1 454 . 1 1 37 37 LEU HD21 H 1 0.981 0.05 . 2 . . . . 37 LEU HD21 . 16037 1 455 . 1 1 37 37 LEU HD22 H 1 0.981 0.05 . 2 . . . . 37 LEU HD21 . 16037 1 456 . 1 1 37 37 LEU HD23 H 1 0.981 0.05 . 2 . . . . 37 LEU HD21 . 16037 1 457 . 1 1 37 37 LEU HG H 1 1.881 0.05 . 1 . . . . 37 LEU HG . 16037 1 458 . 1 1 37 37 LEU C C 13 177.685 0.5 . 1 . . . . 37 LEU C . 16037 1 459 . 1 1 37 37 LEU CA C 13 54.465 0.5 . 1 . . . . 37 LEU CA . 16037 1 460 . 1 1 37 37 LEU CB C 13 43.133 0.5 . 1 . . . . 37 LEU CB . 16037 1 461 . 1 1 37 37 LEU CD1 C 13 22.180 0.5 . 1 . . . . 37 LEU CD1 . 16037 1 462 . 1 1 37 37 LEU CD2 C 13 26.166 0.5 . 1 . . . . 37 LEU CD2 . 16037 1 463 . 1 1 37 37 LEU CG C 13 26.783 0.5 . 1 . . . . 37 LEU CG . 16037 1 464 . 1 1 37 37 LEU N N 15 115.619 0.5 . 1 . . . . 37 LEU N . 16037 1 465 . 1 1 38 38 GLY H H 1 8.301 0.05 . 1 . . . . 38 GLY HN . 16037 1 466 . 1 1 38 38 GLY HA2 H 1 4.127 0.05 . 2 . . . . 38 GLY HA1 . 16037 1 467 . 1 1 38 38 GLY HA3 H 1 3.877 0.05 . 2 . . . . 38 GLY HA2 . 16037 1 468 . 1 1 38 38 GLY C C 13 174.672 0.5 . 1 . . . . 38 GLY C . 16037 1 469 . 1 1 38 38 GLY CA C 13 46.330 0.5 . 1 . . . . 38 GLY CA . 16037 1 470 . 1 1 38 38 GLY N N 15 108.442 0.5 . 1 . . . . 38 GLY N . 16037 1 471 . 1 1 39 39 ILE H H 1 7.916 0.05 . 1 . . . . 39 ILE HN . 16037 1 472 . 1 1 39 39 ILE HA H 1 5.466 0.05 . 1 . . . . 39 ILE HA . 16037 1 473 . 1 1 39 39 ILE HB H 1 1.463 0.05 . 1 . . . . 39 ILE HB . 16037 1 474 . 1 1 39 39 ILE HD11 H 1 0.809 0.05 . 1 . . . . 39 ILE HD11 . 16037 1 475 . 1 1 39 39 ILE HD12 H 1 0.809 0.05 . 1 . . . . 39 ILE HD11 . 16037 1 476 . 1 1 39 39 ILE HD13 H 1 0.809 0.05 . 1 . . . . 39 ILE HD11 . 16037 1 477 . 1 1 39 39 ILE HG12 H 1 0.849 0.05 . 1 . . . . 39 ILE HG11 . 16037 1 478 . 1 1 39 39 ILE HG13 H 1 1.564 0.05 . 1 . . . . 39 ILE HG12 . 16037 1 479 . 1 1 39 39 ILE HG21 H 1 0.868 0.05 . 1 . . . . 39 ILE HG21 . 16037 1 480 . 1 1 39 39 ILE HG22 H 1 0.868 0.05 . 1 . . . . 39 ILE HG21 . 16037 1 481 . 1 1 39 39 ILE HG23 H 1 0.868 0.05 . 1 . . . . 39 ILE HG21 . 16037 1 482 . 1 1 39 39 ILE C C 13 175.090 0.5 . 1 . . . . 39 ILE C . 16037 1 483 . 1 1 39 39 ILE CA C 13 59.825 0.5 . 1 . . . . 39 ILE CA . 16037 1 484 . 1 1 39 39 ILE CB C 13 39.942 0.5 . 1 . . . . 39 ILE CB . 16037 1 485 . 1 1 39 39 ILE CD1 C 13 14.613 0.5 . 1 . . . . 39 ILE CD1 . 16037 1 486 . 1 1 39 39 ILE CG1 C 13 27.792 0.5 . 2 . . . . 39 ILE CG1 . 16037 1 487 . 1 1 39 39 ILE CG2 C 13 17.624 0.5 . 1 . . . . 39 ILE CG2 . 16037 1 488 . 1 1 39 39 ILE N N 15 124.471 0.5 . 1 . . . . 39 ILE N . 16037 1 489 . 1 1 40 40 THR H H 1 8.742 0.05 . 1 . . . . 40 THR HN . 16037 1 490 . 1 1 40 40 THR HA H 1 5.331 0.05 . 1 . . . . 40 THR HA . 16037 1 491 . 1 1 40 40 THR HB H 1 4.749 0.05 . 1 . . . . 40 THR HB . 16037 1 492 . 1 1 40 40 THR HG21 H 1 1.067 0.05 . 1 . . . . 40 THR HG21 . 16037 1 493 . 1 1 40 40 THR HG22 H 1 1.067 0.05 . 1 . . . . 40 THR HG21 . 16037 1 494 . 1 1 40 40 THR HG23 H 1 1.067 0.05 . 1 . . . . 40 THR HG21 . 16037 1 495 . 1 1 40 40 THR C C 13 174.083 0.5 . 1 . . . . 40 THR C . 16037 1 496 . 1 1 40 40 THR CA C 13 59.957 0.5 . 1 . . . . 40 THR CA . 16037 1 497 . 1 1 40 40 THR CB C 13 73.324 0.5 . 1 . . . . 40 THR CB . 16037 1 498 . 1 1 40 40 THR CG2 C 13 23.208 0.5 . 1 . . . . 40 THR CG2 . 16037 1 499 . 1 1 40 40 THR N N 15 116.648 0.5 . 1 . . . . 40 THR N . 16037 1 500 . 1 1 41 41 GLY H H 1 7.556 0.05 . 1 . . . . 41 GLY HN . 16037 1 501 . 1 1 41 41 GLY HA2 H 1 5.428 0.05 . 2 . . . . 41 GLY HA1 . 16037 1 502 . 1 1 41 41 GLY HA3 H 1 3.353 0.05 . 2 . . . . 41 GLY HA2 . 16037 1 503 . 1 1 41 41 GLY C C 13 181.010 0.5 . 1 . . . . 41 GLY C . 16037 1 504 . 1 1 41 41 GLY CA C 13 45.537 0.5 . 1 . . . . 41 GLY CA . 16037 1 505 . 1 1 41 41 GLY N N 15 101.519 0.5 . 1 . . . . 41 GLY N . 16037 1 506 . 1 1 42 42 ILE H H 1 7.923 0.05 . 1 . . . . 42 ILE HN . 16037 1 507 . 1 1 42 42 ILE HA H 1 4.692 0.05 . 1 . . . . 42 ILE HA . 16037 1 508 . 1 1 42 42 ILE HB H 1 0.916 0.05 . 1 . . . . 42 ILE HB . 16037 1 509 . 1 1 42 42 ILE HD11 H 1 0.721 0.05 . 1 . . . . 42 ILE HD11 . 16037 1 510 . 1 1 42 42 ILE HD12 H 1 0.721 0.05 . 1 . . . . 42 ILE HD11 . 16037 1 511 . 1 1 42 42 ILE HD13 H 1 0.721 0.05 . 1 . . . . 42 ILE HD11 . 16037 1 512 . 1 1 42 42 ILE HG12 H 1 1.192 0.05 . 1 . . . . 42 ILE HG11 . 16037 1 513 . 1 1 42 42 ILE HG13 H 1 0.710 0.05 . 1 . . . . 42 ILE HG12 . 16037 1 514 . 1 1 42 42 ILE HG21 H 1 0.250 0.05 . 1 . . . . 42 ILE HG21 . 16037 1 515 . 1 1 42 42 ILE HG22 H 1 0.250 0.05 . 1 . . . . 42 ILE HG21 . 16037 1 516 . 1 1 42 42 ILE HG23 H 1 0.250 0.05 . 1 . . . . 42 ILE HG21 . 16037 1 517 . 1 1 42 42 ILE C C 13 180.839 0.5 . 1 . . . . 42 ILE C . 16037 1 518 . 1 1 42 42 ILE CA C 13 60.230 0.5 . 1 . . . . 42 ILE CA . 16037 1 519 . 1 1 42 42 ILE CB C 13 41.950 0.5 . 1 . . . . 42 ILE CB . 16037 1 520 . 1 1 42 42 ILE CD1 C 13 15.350 0.5 . 1 . . . . 42 ILE CD1 . 16037 1 521 . 1 1 42 42 ILE CG1 C 13 27.840 0.5 . 2 . . . . 42 ILE CG1 . 16037 1 522 . 1 1 42 42 ILE CG2 C 13 16.462 0.5 . 1 . . . . 42 ILE CG2 . 16037 1 523 . 1 1 42 42 ILE N N 15 112.706 0.5 . 1 . . . . 42 ILE N . 16037 1 524 . 1 1 43 43 LEU H H 1 8.552 0.05 . 1 . . . . 43 LEU HN . 16037 1 525 . 1 1 43 43 LEU HA H 1 5.215 0.05 . 1 . . . . 43 LEU HA . 16037 1 526 . 1 1 43 43 LEU HB2 H 1 1.464 0.05 . 2 . . . . 43 LEU HB1 . 16037 1 527 . 1 1 43 43 LEU HB3 H 1 1.870 0.05 . 2 . . . . 43 LEU HB2 . 16037 1 528 . 1 1 43 43 LEU HD11 H 1 0.509 0.05 . 2 . . . . 43 LEU HD11 . 16037 1 529 . 1 1 43 43 LEU HD12 H 1 0.509 0.05 . 2 . . . . 43 LEU HD11 . 16037 1 530 . 1 1 43 43 LEU HD13 H 1 0.509 0.05 . 2 . . . . 43 LEU HD11 . 16037 1 531 . 1 1 43 43 LEU HD21 H 1 1.102 0.05 . 2 . . . . 43 LEU HD21 . 16037 1 532 . 1 1 43 43 LEU HD22 H 1 1.102 0.05 . 2 . . . . 43 LEU HD21 . 16037 1 533 . 1 1 43 43 LEU HD23 H 1 1.102 0.05 . 2 . . . . 43 LEU HD21 . 16037 1 534 . 1 1 43 43 LEU HG H 1 1.488 0.05 . 1 . . . . 43 LEU HG . 16037 1 535 . 1 1 43 43 LEU C C 13 173.206 0.5 . 1 . . . . 43 LEU C . 16037 1 536 . 1 1 43 43 LEU CA C 13 53.202 0.5 . 1 . . . . 43 LEU CA . 16037 1 537 . 1 1 43 43 LEU CB C 13 45.508 0.5 . 1 . . . . 43 LEU CB . 16037 1 538 . 1 1 43 43 LEU CD1 C 13 25.918 0.5 . 1 . . . . 43 LEU CD1 . 16037 1 539 . 1 1 43 43 LEU CD2 C 13 24.830 0.5 . 1 . . . . 43 LEU CD2 . 16037 1 540 . 1 1 43 43 LEU CG C 13 27.784 0.5 . 1 . . . . 43 LEU CG . 16037 1 541 . 1 1 43 43 LEU N N 15 125.884 0.5 . 1 . . . . 43 LEU N . 16037 1 542 . 1 1 44 44 LEU H H 1 9.959 0.05 . 1 . . . . 44 LEU HN . 16037 1 543 . 1 1 44 44 LEU HA H 1 5.662 0.05 . 1 . . . . 44 LEU HA . 16037 1 544 . 1 1 44 44 LEU HB2 H 1 2.064 0.05 . 2 . . . . 44 LEU HB1 . 16037 1 545 . 1 1 44 44 LEU HB3 H 1 1.725 0.05 . 2 . . . . 44 LEU HB2 . 16037 1 546 . 1 1 44 44 LEU HD11 H 1 0.855 0.05 . 2 . . . . 44 LEU HD11 . 16037 1 547 . 1 1 44 44 LEU HD12 H 1 0.855 0.05 . 2 . . . . 44 LEU HD11 . 16037 1 548 . 1 1 44 44 LEU HD13 H 1 0.855 0.05 . 2 . . . . 44 LEU HD11 . 16037 1 549 . 1 1 44 44 LEU HD21 H 1 0.953 0.05 . 2 . . . . 44 LEU HD21 . 16037 1 550 . 1 1 44 44 LEU HD22 H 1 0.953 0.05 . 2 . . . . 44 LEU HD21 . 16037 1 551 . 1 1 44 44 LEU HD23 H 1 0.953 0.05 . 2 . . . . 44 LEU HD21 . 16037 1 552 . 1 1 44 44 LEU HG H 1 1.914 0.05 . 1 . . . . 44 LEU HG . 16037 1 553 . 1 1 44 44 LEU C C 13 176.367 0.5 . 1 . . . . 44 LEU C . 16037 1 554 . 1 1 44 44 LEU CA C 13 53.687 0.5 . 1 . . . . 44 LEU CA . 16037 1 555 . 1 1 44 44 LEU CB C 13 44.847 0.5 . 1 . . . . 44 LEU CB . 16037 1 556 . 1 1 44 44 LEU CD1 C 13 25.918 0.5 . 1 . . . . 44 LEU CD1 . 16037 1 557 . 1 1 44 44 LEU CD2 C 13 26.855 0.5 . 1 . . . . 44 LEU CD2 . 16037 1 558 . 1 1 44 44 LEU CG C 13 28.969 0.5 . 1 . . . . 44 LEU CG . 16037 1 559 . 1 1 44 44 LEU N N 15 125.506 0.5 . 1 . . . . 44 LEU N . 16037 1 560 . 1 1 45 45 PHE H H 1 8.291 0.05 . 1 . . . . 45 PHE HN . 16037 1 561 . 1 1 45 45 PHE HA H 1 6.044 0.05 . 1 . . . . 45 PHE HA . 16037 1 562 . 1 1 45 45 PHE HB2 H 1 2.739 0.05 . 2 . . . . 45 PHE HB1 . 16037 1 563 . 1 1 45 45 PHE HB3 H 1 3.155 0.05 . 2 . . . . 45 PHE HB2 . 16037 1 564 . 1 1 45 45 PHE HD1 H 1 6.831 0.05 . 3 . . . . 45 PHE HD1 . 16037 1 565 . 1 1 45 45 PHE HD2 H 1 6.831 0.05 . 3 . . . . 45 PHE HD2 . 16037 1 566 . 1 1 45 45 PHE HE1 H 1 6.764 0.05 . 3 . . . . 45 PHE HE1 . 16037 1 567 . 1 1 45 45 PHE HE2 H 1 6.764 0.05 . 3 . . . . 45 PHE HE2 . 16037 1 568 . 1 1 45 45 PHE HZ H 1 7.132 0.05 . 1 . . . . 45 PHE HZ . 16037 1 569 . 1 1 45 45 PHE C C 13 175.030 0.5 . 1 . . . . 45 PHE C . 16037 1 570 . 1 1 45 45 PHE CA C 13 55.197 0.5 . 1 . . . . 45 PHE CA . 16037 1 571 . 1 1 45 45 PHE CB C 13 44.854 0.5 . 1 . . . . 45 PHE CB . 16037 1 572 . 1 1 45 45 PHE CD1 C 13 131.854 0.5 . 3 . . . . 45 PHE CD1 . 16037 1 573 . 1 1 45 45 PHE CD2 C 13 131.854 0.5 . 3 . . . . 45 PHE CD2 . 16037 1 574 . 1 1 45 45 PHE CE1 C 13 130.000 0.5 . 3 . . . . 45 PHE CE1 . 16037 1 575 . 1 1 45 45 PHE CE2 C 13 130.000 0.5 . 3 . . . . 45 PHE CE2 . 16037 1 576 . 1 1 45 45 PHE CZ C 13 130.000 0.5 . 1 . . . . 45 PHE CZ . 16037 1 577 . 1 1 45 45 PHE N N 15 118.247 0.5 . 1 . . . . 45 PHE N . 16037 1 578 . 1 1 46 46 ASN H H 1 7.847 0.05 . 1 . . . . 46 ASN HN . 16037 1 579 . 1 1 46 46 ASN HA H 1 4.834 0.05 . 1 . . . . 46 ASN HA . 16037 1 580 . 1 1 46 46 ASN HB2 H 1 3.515 0.05 . 2 . . . . 46 ASN HB1 . 16037 1 581 . 1 1 46 46 ASN HB3 H 1 2.458 0.05 . 2 . . . . 46 ASN HB2 . 16037 1 582 . 1 1 46 46 ASN HD21 H 1 7.998 0.05 . 2 . . . . 46 ASN HD21 . 16037 1 583 . 1 1 46 46 ASN HD22 H 1 7.485 0.05 . 2 . . . . 46 ASN HD22 . 16037 1 584 . 1 1 46 46 ASN C C 13 177.453 0.5 . 1 . . . . 46 ASN C . 16037 1 585 . 1 1 46 46 ASN CA C 13 50.917 0.5 . 1 . . . . 46 ASN CA . 16037 1 586 . 1 1 46 46 ASN CB C 13 39.709 0.5 . 1 . . . . 46 ASN CB . 16037 1 587 . 1 1 46 46 ASN CG C 13 175.563 0.5 . 1 . . . . 46 ASN CG . 16037 1 588 . 1 1 46 46 ASN N N 15 121.701 0.5 . 1 . . . . 46 ASN N . 16037 1 589 . 1 1 46 46 ASN ND2 N 15 113.885 0.5 . 1 . . . . 46 ASN ND2 . 16037 1 590 . 1 1 47 47 GLY HA2 H 1 4.506 0.05 . 2 . . . . 47 GLY HA1 . 16037 1 591 . 1 1 47 47 GLY HA3 H 1 2.741 0.05 . 2 . . . . 47 GLY HA2 . 16037 1 592 . 1 1 47 47 GLY C C 13 171.982 0.5 . 1 . . . . 47 GLY C . 16037 1 593 . 1 1 47 47 GLY CA C 13 46.246 0.5 . 1 . . . . 47 GLY CA . 16037 1 594 . 1 1 48 48 LEU H H 1 7.524 0.05 . 1 . . . . 48 LEU HN . 16037 1 595 . 1 1 48 48 LEU HA H 1 4.604 0.05 . 1 . . . . 48 LEU HA . 16037 1 596 . 1 1 48 48 LEU HB2 H 1 1.300 0.05 . 2 . . . . 48 LEU HB1 . 16037 1 597 . 1 1 48 48 LEU HB3 H 1 1.483 0.05 . 2 . . . . 48 LEU HB2 . 16037 1 598 . 1 1 48 48 LEU HD11 H 1 0.803 0.05 . 2 . . . . 48 LEU HD11 . 16037 1 599 . 1 1 48 48 LEU HD12 H 1 0.803 0.05 . 2 . . . . 48 LEU HD11 . 16037 1 600 . 1 1 48 48 LEU HD13 H 1 0.803 0.05 . 2 . . . . 48 LEU HD11 . 16037 1 601 . 1 1 48 48 LEU HD21 H 1 0.744 0.05 . 2 . . . . 48 LEU HD21 . 16037 1 602 . 1 1 48 48 LEU HD22 H 1 0.744 0.05 . 2 . . . . 48 LEU HD21 . 16037 1 603 . 1 1 48 48 LEU HD23 H 1 0.744 0.05 . 2 . . . . 48 LEU HD21 . 16037 1 604 . 1 1 48 48 LEU HG H 1 1.409 0.05 . 1 . . . . 48 LEU HG . 16037 1 605 . 1 1 48 48 LEU C C 13 175.281 0.5 . 1 . . . . 48 LEU C . 16037 1 606 . 1 1 48 48 LEU CA C 13 55.807 0.5 . 1 . . . . 48 LEU CA . 16037 1 607 . 1 1 48 48 LEU CB C 13 46.052 0.5 . 1 . . . . 48 LEU CB . 16037 1 608 . 1 1 48 48 LEU CD1 C 13 24.350 0.5 . 1 . . . . 48 LEU CD1 . 16037 1 609 . 1 1 48 48 LEU CD2 C 13 24.350 0.5 . 1 . . . . 48 LEU CD2 . 16037 1 610 . 1 1 48 48 LEU CG C 13 27.580 0.5 . 1 . . . . 48 LEU CG . 16037 1 611 . 1 1 48 48 LEU N N 15 119.739 0.5 . 1 . . . . 48 LEU N . 16037 1 612 . 1 1 49 49 GLN H H 1 8.802 0.05 . 1 . . . . 49 GLN HN . 16037 1 613 . 1 1 49 49 GLN HA H 1 5.475 0.05 . 1 . . . . 49 GLN HA . 16037 1 614 . 1 1 49 49 GLN HB2 H 1 2.477 0.05 . 2 . . . . 49 GLN HB1 . 16037 1 615 . 1 1 49 49 GLN HB3 H 1 2.351 0.05 . 2 . . . . 49 GLN HB2 . 16037 1 616 . 1 1 49 49 GLN HE21 H 1 7.687 0.05 . 2 . . . . 49 GLN HE21 . 16037 1 617 . 1 1 49 49 GLN HE22 H 1 6.874 0.05 . 2 . . . . 49 GLN HE22 . 16037 1 618 . 1 1 49 49 GLN HG2 H 1 2.627 0.05 . 2 . . . . 49 GLN HG1 . 16037 1 619 . 1 1 49 49 GLN HG3 H 1 2.280 0.05 . 2 . . . . 49 GLN HG2 . 16037 1 620 . 1 1 49 49 GLN C C 13 175.153 0.5 . 1 . . . . 49 GLN C . 16037 1 621 . 1 1 49 49 GLN CA C 13 54.728 0.5 . 1 . . . . 49 GLN CA . 16037 1 622 . 1 1 49 49 GLN CB C 13 32.789 0.5 . 1 . . . . 49 GLN CB . 16037 1 623 . 1 1 49 49 GLN CD C 13 179.829 0.5 . 1 . . . . 49 GLN CD . 16037 1 624 . 1 1 49 49 GLN CG C 13 34.752 0.5 . 1 . . . . 49 GLN CG . 16037 1 625 . 1 1 49 49 GLN N N 15 117.347 0.5 . 1 . . . . 49 GLN N . 16037 1 626 . 1 1 49 49 GLN NE2 N 15 110.993 0.5 . 1 . . . . 49 GLN NE2 . 16037 1 627 . 1 1 50 50 PHE H H 1 8.657 0.05 . 1 . . . . 50 PHE HN . 16037 1 628 . 1 1 50 50 PHE HA H 1 5.747 0.05 . 1 . . . . 50 PHE HA . 16037 1 629 . 1 1 50 50 PHE HB2 H 1 2.844 0.05 . 2 . . . . 50 PHE HB1 . 16037 1 630 . 1 1 50 50 PHE HB3 H 1 3.769 0.05 . 2 . . . . 50 PHE HB2 . 16037 1 631 . 1 1 50 50 PHE HD1 H 1 7.453 0.05 . 3 . . . . 50 PHE HD1 . 16037 1 632 . 1 1 50 50 PHE HD2 H 1 7.433 0.05 . 3 . . . . 50 PHE HD2 . 16037 1 633 . 1 1 50 50 PHE HE1 H 1 6.765 0.05 . 3 . . . . 50 PHE HE1 . 16037 1 634 . 1 1 50 50 PHE HE2 H 1 6.765 0.05 . 3 . . . . 50 PHE HE2 . 16037 1 635 . 1 1 50 50 PHE HZ H 1 6.514 0.05 . 1 . . . . 50 PHE HZ . 16037 1 636 . 1 1 50 50 PHE C C 13 174.950 0.5 . 1 . . . . 50 PHE C . 16037 1 637 . 1 1 50 50 PHE CA C 13 56.829 0.5 . 1 . . . . 50 PHE CA . 16037 1 638 . 1 1 50 50 PHE CB C 13 41.400 0.5 . 1 . . . . 50 PHE CB . 16037 1 639 . 1 1 50 50 PHE CD1 C 13 132.089 0.5 . 3 . . . . 50 PHE CD1 . 16037 1 640 . 1 1 50 50 PHE CD2 C 13 132.089 0.5 . 3 . . . . 50 PHE CD2 . 16037 1 641 . 1 1 50 50 PHE CE1 C 13 130.251 0.5 . 3 . . . . 50 PHE CE1 . 16037 1 642 . 1 1 50 50 PHE CE2 C 13 133.017 0.5 . 3 . . . . 50 PHE CE2 . 16037 1 643 . 1 1 50 50 PHE CZ C 13 127.379 0.5 . 1 . . . . 50 PHE CZ . 16037 1 644 . 1 1 50 50 PHE N N 15 118.761 0.5 . 1 . . . . 50 PHE N . 16037 1 645 . 1 1 51 51 PHE H H 1 8.446 0.05 . 1 . . . . 51 PHE HN . 16037 1 646 . 1 1 51 51 PHE HA H 1 4.755 0.05 . 1 . . . . 51 PHE HA . 16037 1 647 . 1 1 51 51 PHE HB2 H 1 1.083 0.05 . 2 . . . . 51 PHE HB1 . 16037 1 648 . 1 1 51 51 PHE HB3 H 1 2.105 0.05 . 2 . . . . 51 PHE HB2 . 16037 1 649 . 1 1 51 51 PHE HD1 H 1 6.520 0.05 . 3 . . . . 51 PHE HD1 . 16037 1 650 . 1 1 51 51 PHE HD2 H 1 6.520 0.05 . 3 . . . . 51 PHE HD2 . 16037 1 651 . 1 1 51 51 PHE HE1 H 1 6.861 0.05 . 3 . . . . 51 PHE HE1 . 16037 1 652 . 1 1 51 51 PHE HE2 H 1 6.811 0.05 . 3 . . . . 51 PHE HE2 . 16037 1 653 . 1 1 51 51 PHE HZ H 1 6.766 0.05 . 1 . . . . 51 PHE HZ . 16037 1 654 . 1 1 51 51 PHE C C 13 173.744 0.5 . 1 . . . . 51 PHE C . 16037 1 655 . 1 1 51 51 PHE CA C 13 56.356 0.5 . 1 . . . . 51 PHE CA . 16037 1 656 . 1 1 51 51 PHE CB C 13 41.309 0.5 . 1 . . . . 51 PHE CB . 16037 1 657 . 1 1 51 51 PHE CD1 C 13 130.769 0.5 . 3 . . . . 51 PHE CD1 . 16037 1 658 . 1 1 51 51 PHE CD2 C 13 130.769 0.5 . 3 . . . . 51 PHE CD2 . 16037 1 659 . 1 1 51 51 PHE CE1 C 13 130.013 0.5 . 3 . . . . 51 PHE CE1 . 16037 1 660 . 1 1 51 51 PHE CE2 C 13 130.013 0.5 . 3 . . . . 51 PHE CE2 . 16037 1 661 . 1 1 51 51 PHE CZ C 13 127.677 0.5 . 1 . . . . 51 PHE CZ . 16037 1 662 . 1 1 51 51 PHE N N 15 121.221 0.5 . 1 . . . . 51 PHE N . 16037 1 663 . 1 1 52 52 GLN H H 1 8.196 0.05 . 1 . . . . 52 GLN HN . 16037 1 664 . 1 1 52 52 GLN HA H 1 5.357 0.05 . 1 . . . . 52 GLN HA . 16037 1 665 . 1 1 52 52 GLN HB2 H 1 1.812 0.05 . 2 . . . . 52 GLN HB1 . 16037 1 666 . 1 1 52 52 GLN HB3 H 1 1.264 0.05 . 2 . . . . 52 GLN HB2 . 16037 1 667 . 1 1 52 52 GLN HE21 H 1 8.631 0.05 . 2 . . . . 52 GLN HE21 . 16037 1 668 . 1 1 52 52 GLN HE22 H 1 7.155 0.05 . 2 . . . . 52 GLN HE22 . 16037 1 669 . 1 1 52 52 GLN HG2 H 1 2.114 0.05 . 2 . . . . 52 GLN HG1 . 16037 1 670 . 1 1 52 52 GLN HG3 H 1 2.538 0.05 . 2 . . . . 52 GLN HG2 . 16037 1 671 . 1 1 52 52 GLN C C 13 172.177 0.5 . 1 . . . . 52 GLN C . 16037 1 672 . 1 1 52 52 GLN CA C 13 53.628 0.5 . 1 . . . . 52 GLN CA . 16037 1 673 . 1 1 52 52 GLN CB C 13 32.447 0.5 . 1 . . . . 52 GLN CB . 16037 1 674 . 1 1 52 52 GLN CG C 13 35.511 0.5 . 1 . . . . 52 GLN CG . 16037 1 675 . 1 1 52 52 GLN N N 15 129.479 0.5 . 1 . . . . 52 GLN N . 16037 1 676 . 1 1 52 52 GLN NE2 N 15 111.483 0.5 . 1 . . . . 52 GLN NE2 . 16037 1 677 . 1 1 53 53 VAL H H 1 8.436 0.05 . 1 . . . . 53 VAL HN . 16037 1 678 . 1 1 53 53 VAL HA H 1 4.492 0.05 . 1 . . . . 53 VAL HA . 16037 1 679 . 1 1 53 53 VAL HB H 1 1.870 0.05 . 1 . . . . 53 VAL HB . 16037 1 680 . 1 1 53 53 VAL HG11 H 1 1.013 0.05 . 2 . . . . 53 VAL HG11 . 16037 1 681 . 1 1 53 53 VAL HG12 H 1 1.013 0.05 . 2 . . . . 53 VAL HG11 . 16037 1 682 . 1 1 53 53 VAL HG13 H 1 1.013 0.05 . 2 . . . . 53 VAL HG11 . 16037 1 683 . 1 1 53 53 VAL HG21 H 1 0.944 0.05 . 2 . . . . 53 VAL HG21 . 16037 1 684 . 1 1 53 53 VAL HG22 H 1 0.944 0.05 . 2 . . . . 53 VAL HG21 . 16037 1 685 . 1 1 53 53 VAL HG23 H 1 0.944 0.05 . 2 . . . . 53 VAL HG21 . 16037 1 686 . 1 1 53 53 VAL C C 13 174.498 0.5 . 1 . . . . 53 VAL C . 16037 1 687 . 1 1 53 53 VAL CA C 13 60.582 0.5 . 1 . . . . 53 VAL CA . 16037 1 688 . 1 1 53 53 VAL CB C 13 33.915 0.5 . 1 . . . . 53 VAL CB . 16037 1 689 . 1 1 53 53 VAL CG1 C 13 21.596 0.5 . 1 . . . . 53 VAL CG1 . 16037 1 690 . 1 1 53 53 VAL CG2 C 13 20.710 0.5 . 1 . . . . 53 VAL CG2 . 16037 1 691 . 1 1 53 53 VAL N N 15 123.365 0.5 . 1 . . . . 53 VAL N . 16037 1 692 . 1 1 54 54 LEU H H 1 9.179 0.05 . 1 . . . . 54 LEU HN . 16037 1 693 . 1 1 54 54 LEU HA H 1 5.140 0.05 . 1 . . . . 54 LEU HA . 16037 1 694 . 1 1 54 54 LEU HB2 H 1 1.726 0.05 . 2 . . . . 54 LEU HB1 . 16037 1 695 . 1 1 54 54 LEU HB3 H 1 1.227 0.05 . 2 . . . . 54 LEU HB2 . 16037 1 696 . 1 1 54 54 LEU HD11 H 1 0.822 0.05 . 2 . . . . 54 LEU HD11 . 16037 1 697 . 1 1 54 54 LEU HD12 H 1 0.822 0.05 . 2 . . . . 54 LEU HD11 . 16037 1 698 . 1 1 54 54 LEU HD13 H 1 0.822 0.05 . 2 . . . . 54 LEU HD11 . 16037 1 699 . 1 1 54 54 LEU HD21 H 1 0.716 0.05 . 2 . . . . 54 LEU HD21 . 16037 1 700 . 1 1 54 54 LEU HD22 H 1 0.716 0.05 . 2 . . . . 54 LEU HD21 . 16037 1 701 . 1 1 54 54 LEU HD23 H 1 0.716 0.05 . 2 . . . . 54 LEU HD21 . 16037 1 702 . 1 1 54 54 LEU HG H 1 1.442 0.05 . 1 . . . . 54 LEU HG . 16037 1 703 . 1 1 54 54 LEU C C 13 174.834 0.5 . 1 . . . . 54 LEU C . 16037 1 704 . 1 1 54 54 LEU CA C 13 53.176 0.5 . 1 . . . . 54 LEU CA . 16037 1 705 . 1 1 54 54 LEU CB C 13 47.270 0.5 . 1 . . . . 54 LEU CB . 16037 1 706 . 1 1 54 54 LEU CD1 C 13 24.256 0.5 . 1 . . . . 54 LEU CD1 . 16037 1 707 . 1 1 54 54 LEU CD2 C 13 25.573 0.5 . 1 . . . . 54 LEU CD2 . 16037 1 708 . 1 1 54 54 LEU CG C 13 27.702 0.5 . 1 . . . . 54 LEU CG . 16037 1 709 . 1 1 54 54 LEU N N 15 125.832 0.5 . 1 . . . . 54 LEU N . 16037 1 710 . 1 1 55 55 GLU H H 1 9.142 0.05 . 1 . . . . 55 GLU HN . 16037 1 711 . 1 1 55 55 GLU HA H 1 5.725 0.05 . 1 . . . . 55 GLU HA . 16037 1 712 . 1 1 55 55 GLU HB2 H 1 1.846 0.05 . 2 . . . . 55 GLU HB1 . 16037 1 713 . 1 1 55 55 GLU HB3 H 1 2.338 0.05 . 2 . . . . 55 GLU HB2 . 16037 1 714 . 1 1 55 55 GLU HG2 H 1 2.116 0.05 . 2 . . . . 55 GLU HG1 . 16037 1 715 . 1 1 55 55 GLU HG3 H 1 2.264 0.05 . 2 . . . . 55 GLU HG2 . 16037 1 716 . 1 1 55 55 GLU C C 13 176.077 0.5 . 1 . . . . 55 GLU C . 16037 1 717 . 1 1 55 55 GLU CA C 13 53.744 0.5 . 1 . . . . 55 GLU CA . 16037 1 718 . 1 1 55 55 GLU CB C 13 32.816 0.5 . 1 . . . . 55 GLU CB . 16037 1 719 . 1 1 55 55 GLU CG C 13 37.424 0.5 . 1 . . . . 55 GLU CG . 16037 1 720 . 1 1 55 55 GLU N N 15 118.805 0.5 . 1 . . . . 55 GLU N . 16037 1 721 . 1 1 56 56 GLY H H 1 8.829 0.05 . 1 . . . . 56 GLY HN . 16037 1 722 . 1 1 56 56 GLY HA2 H 1 4.163 0.05 . 2 . . . . 56 GLY HA1 . 16037 1 723 . 1 1 56 56 GLY HA3 H 1 4.233 0.05 . 2 . . . . 56 GLY HA2 . 16037 1 724 . 1 1 56 56 GLY C C 13 172.150 0.5 . 1 . . . . 56 GLY C . 16037 1 725 . 1 1 56 56 GLY CA C 13 45.836 0.5 . 1 . . . . 56 GLY CA . 16037 1 726 . 1 1 56 56 GLY N N 15 107.838 0.5 . 1 . . . . 56 GLY N . 16037 1 727 . 1 1 57 57 THR H H 1 8.867 0.05 . 1 . . . . 57 THR HN . 16037 1 728 . 1 1 57 57 THR HA H 1 4.601 0.05 . 1 . . . . 57 THR HA . 16037 1 729 . 1 1 57 57 THR HB H 1 4.666 0.05 . 1 . . . . 57 THR HB . 16037 1 730 . 1 1 57 57 THR HG21 H 1 1.452 0.05 . 1 . . . . 57 THR HG21 . 16037 1 731 . 1 1 57 57 THR HG22 H 1 1.452 0.05 . 1 . . . . 57 THR HG21 . 16037 1 732 . 1 1 57 57 THR HG23 H 1 1.452 0.05 . 1 . . . . 57 THR HG21 . 16037 1 733 . 1 1 57 57 THR C C 13 175.587 0.5 . 1 . . . . 57 THR C . 16037 1 734 . 1 1 57 57 THR CA C 13 62.373 0.5 . 1 . . . . 57 THR CA . 16037 1 735 . 1 1 57 57 THR CB C 13 70.048 0.5 . 1 . . . . 57 THR CB . 16037 1 736 . 1 1 57 57 THR CG2 C 13 22.546 0.5 . 1 . . . . 57 THR CG2 . 16037 1 737 . 1 1 57 57 THR N N 15 113.188 0.5 . 1 . . . . 57 THR N . 16037 1 738 . 1 1 58 58 GLU H H 1 8.622 0.05 . 1 . . . . 58 GLU HN . 16037 1 739 . 1 1 58 58 GLU HA H 1 3.763 0.05 . 1 . . . . 58 GLU HA . 16037 1 740 . 1 1 58 58 GLU HB2 H 1 2.067 0.05 . 2 . . . . 58 GLU HB1 . 16037 1 741 . 1 1 58 58 GLU HB3 H 1 2.354 0.05 . 2 . . . . 58 GLU HB2 . 16037 1 742 . 1 1 58 58 GLU HG2 H 1 2.335 0.05 . 2 . . . . 58 GLU HG1 . 16037 1 743 . 1 1 58 58 GLU HG3 H 1 2.251 0.05 . 2 . . . . 58 GLU HG2 . 16037 1 744 . 1 1 58 58 GLU C C 13 178.126 0.5 . 1 . . . . 58 GLU C . 16037 1 745 . 1 1 58 58 GLU CA C 13 61.027 0.5 . 1 . . . . 58 GLU CA . 16037 1 746 . 1 1 58 58 GLU CB C 13 29.811 0.5 . 1 . . . . 58 GLU CB . 16037 1 747 . 1 1 58 58 GLU CG C 13 35.961 0.5 . 1 . . . . 58 GLU CG . 16037 1 748 . 1 1 58 58 GLU N N 15 123.240 0.5 . 1 . . . . 58 GLU N . 16037 1 749 . 1 1 59 59 GLU H H 1 9.000 0.05 . 1 . . . . 59 GLU HN . 16037 1 750 . 1 1 59 59 GLU HA H 1 4.082 0.05 . 1 . . . . 59 GLU HA . 16037 1 751 . 1 1 59 59 GLU HB2 H 1 1.966 0.05 . 2 . . . . 59 GLU HB1 . 16037 1 752 . 1 1 59 59 GLU HB3 H 1 2.068 0.05 . 2 . . . . 59 GLU HB2 . 16037 1 753 . 1 1 59 59 GLU HG2 H 1 2.343 0.05 . 2 . . . . 59 GLU HG1 . 16037 1 754 . 1 1 59 59 GLU HG3 H 1 2.343 0.05 . 2 . . . . 59 GLU HG2 . 16037 1 755 . 1 1 59 59 GLU C C 13 179.107 0.5 . 1 . . . . 59 GLU C . 16037 1 756 . 1 1 59 59 GLU CA C 13 59.805 0.5 . 1 . . . . 59 GLU CA . 16037 1 757 . 1 1 59 59 GLU CB C 13 29.400 0.5 . 1 . . . . 59 GLU CB . 16037 1 758 . 1 1 59 59 GLU CG C 13 36.472 0.5 . 1 . . . . 59 GLU CG . 16037 1 759 . 1 1 59 59 GLU N N 15 116.776 0.5 . 1 . . . . 59 GLU N . 16037 1 760 . 1 1 60 60 ALA H H 1 7.614 0.05 . 1 . . . . 60 ALA HN . 16037 1 761 . 1 1 60 60 ALA HA H 1 4.191 0.05 . 1 . . . . 60 ALA HA . 16037 1 762 . 1 1 60 60 ALA HB1 H 1 1.503 0.05 . 1 . . . . 60 ALA HB1 . 16037 1 763 . 1 1 60 60 ALA HB2 H 1 1.503 0.05 . 1 . . . . 60 ALA HB1 . 16037 1 764 . 1 1 60 60 ALA HB3 H 1 1.503 0.05 . 1 . . . . 60 ALA HB1 . 16037 1 765 . 1 1 60 60 ALA C C 13 180.932 0.5 . 1 . . . . 60 ALA C . 16037 1 766 . 1 1 60 60 ALA CA C 13 54.679 0.5 . 1 . . . . 60 ALA CA . 16037 1 767 . 1 1 60 60 ALA CB C 13 18.280 0.5 . 1 . . . . 60 ALA CB . 16037 1 768 . 1 1 60 60 ALA N N 15 122.965 0.5 . 1 . . . . 60 ALA N . 16037 1 769 . 1 1 61 61 LEU H H 1 8.444 0.05 . 1 . . . . 61 LEU HN . 16037 1 770 . 1 1 61 61 LEU HA H 1 3.892 0.05 . 1 . . . . 61 LEU HA . 16037 1 771 . 1 1 61 61 LEU HB2 H 1 1.743 0.05 . 2 . . . . 61 LEU HB1 . 16037 1 772 . 1 1 61 61 LEU HB3 H 1 1.174 0.05 . 2 . . . . 61 LEU HB2 . 16037 1 773 . 1 1 61 61 LEU HD11 H 1 0.620 0.05 . 2 . . . . 61 LEU HD11 . 16037 1 774 . 1 1 61 61 LEU HD12 H 1 0.620 0.05 . 2 . . . . 61 LEU HD11 . 16037 1 775 . 1 1 61 61 LEU HD13 H 1 0.620 0.05 . 2 . . . . 61 LEU HD11 . 16037 1 776 . 1 1 61 61 LEU HD21 H 1 0.617 0.05 . 2 . . . . 61 LEU HD21 . 16037 1 777 . 1 1 61 61 LEU HD22 H 1 0.617 0.05 . 2 . . . . 61 LEU HD21 . 16037 1 778 . 1 1 61 61 LEU HD23 H 1 0.617 0.05 . 2 . . . . 61 LEU HD21 . 16037 1 779 . 1 1 61 61 LEU HG H 1 1.562 0.05 . 1 . . . . 61 LEU HG . 16037 1 780 . 1 1 61 61 LEU C C 13 176.028 0.5 . 1 . . . . 61 LEU C . 16037 1 781 . 1 1 61 61 LEU CA C 13 57.936 0.5 . 1 . . . . 61 LEU CA . 16037 1 782 . 1 1 61 61 LEU CB C 13 41.355 0.5 . 1 . . . . 61 LEU CB . 16037 1 783 . 1 1 61 61 LEU CD1 C 13 26.270 0.5 . 1 . . . . 61 LEU CD1 . 16037 1 784 . 1 1 61 61 LEU CD2 C 13 24.531 0.5 . 1 . . . . 61 LEU CD2 . 16037 1 785 . 1 1 61 61 LEU CG C 13 27.233 0.5 . 1 . . . . 61 LEU CG . 16037 1 786 . 1 1 61 61 LEU N N 15 117.846 0.5 . 1 . . . . 61 LEU N . 16037 1 787 . 1 1 62 62 GLU H H 1 8.624 0.05 . 1 . . . . 62 GLU HN . 16037 1 788 . 1 1 62 62 GLU HA H 1 4.003 0.05 . 1 . . . . 62 GLU HA . 16037 1 789 . 1 1 62 62 GLU HB2 H 1 2.055 0.05 . 2 . . . . 62 GLU HB1 . 16037 1 790 . 1 1 62 62 GLU HB3 H 1 2.153 0.05 . 2 . . . . 62 GLU HB2 . 16037 1 791 . 1 1 62 62 GLU HG2 H 1 2.253 0.05 . 2 . . . . 62 GLU HG1 . 16037 1 792 . 1 1 62 62 GLU HG3 H 1 2.369 0.05 . 2 . . . . 62 GLU HG2 . 16037 1 793 . 1 1 62 62 GLU C C 13 179.690 0.5 . 1 . . . . 62 GLU C . 16037 1 794 . 1 1 62 62 GLU CA C 13 59.805 0.5 . 1 . . . . 62 GLU CA . 16037 1 795 . 1 1 62 62 GLU CB C 13 29.238 0.5 . 1 . . . . 62 GLU CB . 16037 1 796 . 1 1 62 62 GLU CG C 13 35.912 0.5 . 1 . . . . 62 GLU CG . 16037 1 797 . 1 1 62 62 GLU N N 15 119.793 0.5 . 1 . . . . 62 GLU N . 16037 1 798 . 1 1 63 63 SER H H 1 7.460 0.05 . 1 . . . . 63 SER HN . 16037 1 799 . 1 1 63 63 SER HA H 1 4.229 0.05 . 1 . . . . 63 SER HA . 16037 1 800 . 1 1 63 63 SER HB2 H 1 3.972 0.05 . 2 . . . . 63 SER HB1 . 16037 1 801 . 1 1 63 63 SER HB3 H 1 3.972 0.05 . 2 . . . . 63 SER HB2 . 16037 1 802 . 1 1 63 63 SER C C 13 177.246 0.5 . 1 . . . . 63 SER C . 16037 1 803 . 1 1 63 63 SER CA C 13 61.277 0.5 . 1 . . . . 63 SER CA . 16037 1 804 . 1 1 63 63 SER CB C 13 62.938 0.5 . 1 . . . . 63 SER CB . 16037 1 805 . 1 1 63 63 SER N N 15 113.341 0.5 . 1 . . . . 63 SER N . 16037 1 806 . 1 1 64 64 LEU H H 1 7.857 0.05 . 1 . . . . 64 LEU HN . 16037 1 807 . 1 1 64 64 LEU HA H 1 4.309 0.05 . 1 . . . . 64 LEU HA . 16037 1 808 . 1 1 64 64 LEU HB2 H 1 1.695 0.05 . 2 . . . . 64 LEU HB1 . 16037 1 809 . 1 1 64 64 LEU HB3 H 1 1.527 0.05 . 2 . . . . 64 LEU HB2 . 16037 1 810 . 1 1 64 64 LEU HD11 H 1 0.726 0.05 . 2 . . . . 64 LEU HD11 . 16037 1 811 . 1 1 64 64 LEU HD12 H 1 0.726 0.05 . 2 . . . . 64 LEU HD11 . 16037 1 812 . 1 1 64 64 LEU HD13 H 1 0.726 0.05 . 2 . . . . 64 LEU HD11 . 16037 1 813 . 1 1 64 64 LEU HD21 H 1 0.924 0.05 . 2 . . . . 64 LEU HD21 . 16037 1 814 . 1 1 64 64 LEU HD22 H 1 0.924 0.05 . 2 . . . . 64 LEU HD21 . 16037 1 815 . 1 1 64 64 LEU HD23 H 1 0.924 0.05 . 2 . . . . 64 LEU HD21 . 16037 1 816 . 1 1 64 64 LEU HG H 1 1.269 0.05 . 1 . . . . 64 LEU HG . 16037 1 817 . 1 1 64 64 LEU C C 13 178.777 0.5 . 1 . . . . 64 LEU C . 16037 1 818 . 1 1 64 64 LEU CA C 13 57.559 0.5 . 1 . . . . 64 LEU CA . 16037 1 819 . 1 1 64 64 LEU CB C 13 41.302 0.5 . 1 . . . . 64 LEU CB . 16037 1 820 . 1 1 64 64 LEU CD1 C 13 21.770 0.5 . 1 . . . . 64 LEU CD1 . 16037 1 821 . 1 1 64 64 LEU CD2 C 13 27.866 0.5 . 1 . . . . 64 LEU CD2 . 16037 1 822 . 1 1 64 64 LEU CG C 13 27.439 0.5 . 1 . . . . 64 LEU CG . 16037 1 823 . 1 1 64 64 LEU N N 15 121.837 0.5 . 1 . . . . 64 LEU N . 16037 1 824 . 1 1 65 65 PHE H H 1 9.470 0.05 . 1 . . . . 65 PHE HN . 16037 1 825 . 1 1 65 65 PHE HA H 1 4.063 0.05 . 1 . . . . 65 PHE HA . 16037 1 826 . 1 1 65 65 PHE HB2 H 1 2.906 0.05 . 2 . . . . 65 PHE HB1 . 16037 1 827 . 1 1 65 65 PHE HB3 H 1 2.906 0.05 . 2 . . . . 65 PHE HB2 . 16037 1 828 . 1 1 65 65 PHE HD1 H 1 6.733 0.05 . 3 . . . . 65 PHE HD1 . 16037 1 829 . 1 1 65 65 PHE HD2 H 1 6.733 0.05 . 3 . . . . 65 PHE HD2 . 16037 1 830 . 1 1 65 65 PHE HE1 H 1 6.588 0.05 . 3 . . . . 65 PHE HE1 . 16037 1 831 . 1 1 65 65 PHE HE2 H 1 6.588 0.05 . 3 . . . . 65 PHE HE2 . 16037 1 832 . 1 1 65 65 PHE HZ H 1 6.597 0.05 . 1 . . . . 65 PHE HZ . 16037 1 833 . 1 1 65 65 PHE C C 13 177.277 0.5 . 1 . . . . 65 PHE C . 16037 1 834 . 1 1 65 65 PHE CA C 13 59.651 0.5 . 1 . . . . 65 PHE CA . 16037 1 835 . 1 1 65 65 PHE CB C 13 38.317 0.5 . 1 . . . . 65 PHE CB . 16037 1 836 . 1 1 65 65 PHE CD1 C 13 130.578 0.5 . 3 . . . . 65 PHE CD1 . 16037 1 837 . 1 1 65 65 PHE CD2 C 13 130.578 0.5 . 3 . . . . 65 PHE CD2 . 16037 1 838 . 1 1 65 65 PHE CE1 C 13 131.000 0.5 . 3 . . . . 65 PHE CE1 . 16037 1 839 . 1 1 65 65 PHE CE2 C 13 131.000 0.5 . 3 . . . . 65 PHE CE2 . 16037 1 840 . 1 1 65 65 PHE CZ C 13 127.997 0.5 . 1 . . . . 65 PHE CZ . 16037 1 841 . 1 1 65 65 PHE N N 15 119.705 0.5 . 1 . . . . 65 PHE N . 16037 1 842 . 1 1 66 66 SER H H 1 7.660 0.05 . 1 . . . . 66 SER HN . 16037 1 843 . 1 1 66 66 SER HA H 1 3.994 0.05 . 1 . . . . 66 SER HA . 16037 1 844 . 1 1 66 66 SER HB2 H 1 3.939 0.05 . 2 . . . . 66 SER HB1 . 16037 1 845 . 1 1 66 66 SER HB3 H 1 3.939 0.05 . 2 . . . . 66 SER HB2 . 16037 1 846 . 1 1 66 66 SER C C 13 176.836 0.5 . 1 . . . . 66 SER C . 16037 1 847 . 1 1 66 66 SER CA C 13 61.997 0.5 . 1 . . . . 66 SER CA . 16037 1 848 . 1 1 66 66 SER CB C 13 62.614 0.5 . 1 . . . . 66 SER CB . 16037 1 849 . 1 1 66 66 SER N N 15 113.327 0.5 . 1 . . . . 66 SER N . 16037 1 850 . 1 1 67 67 GLU H H 1 7.137 0.05 . 1 . . . . 67 GLU HN . 16037 1 851 . 1 1 67 67 GLU HA H 1 4.001 0.05 . 1 . . . . 67 GLU HA . 16037 1 852 . 1 1 67 67 GLU HB2 H 1 2.246 0.05 . 2 . . . . 67 GLU HB1 . 16037 1 853 . 1 1 67 67 GLU HB3 H 1 1.981 0.05 . 2 . . . . 67 GLU HB2 . 16037 1 854 . 1 1 67 67 GLU HG2 H 1 2.412 0.05 . 2 . . . . 67 GLU HG1 . 16037 1 855 . 1 1 67 67 GLU HG3 H 1 2.101 0.05 . 2 . . . . 67 GLU HG2 . 16037 1 856 . 1 1 67 67 GLU C C 13 179.380 0.5 . 1 . . . . 67 GLU C . 16037 1 857 . 1 1 67 67 GLU CA C 13 59.538 0.5 . 1 . . . . 67 GLU CA . 16037 1 858 . 1 1 67 67 GLU CB C 13 29.638 0.5 . 1 . . . . 67 GLU CB . 16037 1 859 . 1 1 67 67 GLU CG C 13 36.641 0.5 . 1 . . . . 67 GLU CG . 16037 1 860 . 1 1 67 67 GLU N N 15 121.080 0.5 . 1 . . . . 67 GLU N . 16037 1 861 . 1 1 68 68 ILE H H 1 8.276 0.05 . 1 . . . . 68 ILE HN . 16037 1 862 . 1 1 68 68 ILE HA H 1 3.667 0.05 . 1 . . . . 68 ILE HA . 16037 1 863 . 1 1 68 68 ILE HB H 1 1.311 0.05 . 1 . . . . 68 ILE HB . 16037 1 864 . 1 1 68 68 ILE HD11 H 1 0.114 0.05 . 1 . . . . 68 ILE HD11 . 16037 1 865 . 1 1 68 68 ILE HD12 H 1 0.114 0.05 . 1 . . . . 68 ILE HD11 . 16037 1 866 . 1 1 68 68 ILE HD13 H 1 0.114 0.05 . 1 . . . . 68 ILE HD11 . 16037 1 867 . 1 1 68 68 ILE HG12 H 1 1.170 0.05 . 1 . . . . 68 ILE HG11 . 16037 1 868 . 1 1 68 68 ILE HG21 H 1 0.025 0.05 . 1 . . . . 68 ILE HG21 . 16037 1 869 . 1 1 68 68 ILE HG22 H 1 0.025 0.05 . 1 . . . . 68 ILE HG21 . 16037 1 870 . 1 1 68 68 ILE HG23 H 1 0.025 0.05 . 1 . . . . 68 ILE HG21 . 16037 1 871 . 1 1 68 68 ILE C C 13 180.804 0.5 . 1 . . . . 68 ILE C . 16037 1 872 . 1 1 68 68 ILE CA C 13 64.394 0.5 . 1 . . . . 68 ILE CA . 16037 1 873 . 1 1 68 68 ILE CB C 13 38.185 0.5 . 1 . . . . 68 ILE CB . 16037 1 874 . 1 1 68 68 ILE CD1 C 13 14.017 0.5 . 1 . . . . 68 ILE CD1 . 16037 1 875 . 1 1 68 68 ILE CG1 C 13 28.486 0.5 . 2 . . . . 68 ILE CG1 . 16037 1 876 . 1 1 68 68 ILE CG2 C 13 17.069 0.5 . 1 . . . . 68 ILE CG2 . 16037 1 877 . 1 1 68 68 ILE N N 15 121.779 0.5 . 1 . . . . 68 ILE N . 16037 1 878 . 1 1 69 69 GLN H H 1 8.391 0.05 . 1 . . . . 69 GLN HN . 16037 1 879 . 1 1 69 69 GLN HA H 1 3.351 0.05 . 1 . . . . 69 GLN HA . 16037 1 880 . 1 1 69 69 GLN HB2 H 1 1.606 0.05 . 2 . . . . 69 GLN HB1 . 16037 1 881 . 1 1 69 69 GLN HB3 H 1 1.606 0.05 . 2 . . . . 69 GLN HB2 . 16037 1 882 . 1 1 69 69 GLN HE21 H 1 6.616 0.05 . 2 . . . . 69 GLN HE21 . 16037 1 883 . 1 1 69 69 GLN HE22 H 1 5.888 0.05 . 2 . . . . 69 GLN HE22 . 16037 1 884 . 1 1 69 69 GLN HG2 H 1 1.349 0.05 . 2 . . . . 69 GLN HG1 . 16037 1 885 . 1 1 69 69 GLN HG3 H 1 1.349 0.05 . 2 . . . . 69 GLN HG2 . 16037 1 886 . 1 1 69 69 GLN C C 13 176.533 0.5 . 1 . . . . 69 GLN C . 16037 1 887 . 1 1 69 69 GLN CA C 13 59.993 0.5 . 1 . . . . 69 GLN CA . 16037 1 888 . 1 1 69 69 GLN CB C 13 29.303 0.5 . 1 . . . . 69 GLN CB . 16037 1 889 . 1 1 69 69 GLN CD C 13 179.217 0.5 . 1 . . . . 69 GLN CD . 16037 1 890 . 1 1 69 69 GLN CG C 13 34.910 0.5 . 1 . . . . 69 GLN CG . 16037 1 891 . 1 1 69 69 GLN N N 15 119.710 0.5 . 1 . . . . 69 GLN N . 16037 1 892 . 1 1 69 69 GLN NE2 N 15 111.557 0.5 . 1 . . . . 69 GLN NE2 . 16037 1 893 . 1 1 70 70 SER H H 1 7.027 0.05 . 1 . . . . 70 SER HN . 16037 1 894 . 1 1 70 70 SER HA H 1 4.498 0.05 . 1 . . . . 70 SER HA . 16037 1 895 . 1 1 70 70 SER HB2 H 1 3.922 0.05 . 2 . . . . 70 SER HB1 . 16037 1 896 . 1 1 70 70 SER HB3 H 1 3.922 0.05 . 2 . . . . 70 SER HB2 . 16037 1 897 . 1 1 70 70 SER C C 13 173.236 0.5 . 1 . . . . 70 SER C . 16037 1 898 . 1 1 70 70 SER CA C 13 58.070 0.5 . 1 . . . . 70 SER CA . 16037 1 899 . 1 1 70 70 SER CB C 13 64.148 0.5 . 1 . . . . 70 SER CB . 16037 1 900 . 1 1 70 70 SER N N 15 112.216 0.5 . 1 . . . . 70 SER N . 16037 1 901 . 1 1 71 71 ASP H H 1 7.416 0.05 . 1 . . . . 71 ASP HN . 16037 1 902 . 1 1 71 71 ASP HA H 1 4.761 0.05 . 1 . . . . 71 ASP HA . 16037 1 903 . 1 1 71 71 ASP HB2 H 1 2.644 0.05 . 2 . . . . 71 ASP HB1 . 16037 1 904 . 1 1 71 71 ASP HB3 H 1 2.901 0.05 . 2 . . . . 71 ASP HB2 . 16037 1 905 . 1 1 71 71 ASP CA C 13 52.339 0.5 . 1 . . . . 71 ASP CA . 16037 1 906 . 1 1 71 71 ASP CB C 13 42.988 0.5 . 1 . . . . 71 ASP CB . 16037 1 907 . 1 1 71 71 ASP N N 15 127.161 0.5 . 1 . . . . 71 ASP N . 16037 1 908 . 1 1 72 72 PRO HA H 1 4.840 0.05 . 1 . . . . 72 PRO HA . 16037 1 909 . 1 1 72 72 PRO HB2 H 1 2.369 0.05 . 2 . . . . 72 PRO HB1 . 16037 1 910 . 1 1 72 72 PRO HB3 H 1 2.041 0.05 . 2 . . . . 72 PRO HB2 . 16037 1 911 . 1 1 72 72 PRO HD2 H 1 3.947 0.05 . 2 . . . . 72 PRO HD1 . 16037 1 912 . 1 1 72 72 PRO HD3 H 1 3.799 0.05 . 2 . . . . 72 PRO HD2 . 16037 1 913 . 1 1 72 72 PRO HG2 H 1 2.061 0.05 . 2 . . . . 72 PRO HG1 . 16037 1 914 . 1 1 72 72 PRO HG3 H 1 2.061 0.05 . 2 . . . . 72 PRO HG2 . 16037 1 915 . 1 1 72 72 PRO C C 13 177.937 0.5 . 1 . . . . 72 PRO C . 16037 1 916 . 1 1 72 72 PRO CA C 13 63.729 0.5 . 1 . . . . 72 PRO CA . 16037 1 917 . 1 1 72 72 PRO CB C 13 32.334 0.5 . 1 . . . . 72 PRO CB . 16037 1 918 . 1 1 72 72 PRO CD C 13 50.603 0.5 . 1 . . . . 72 PRO CD . 16037 1 919 . 1 1 72 72 PRO CG C 13 27.182 0.5 . 1 . . . . 72 PRO CG . 16037 1 920 . 1 1 73 73 ARG H H 1 9.142 0.05 . 1 . . . . 73 ARG HN . 16037 1 921 . 1 1 73 73 ARG HA H 1 4.246 0.05 . 1 . . . . 73 ARG HA . 16037 1 922 . 1 1 73 73 ARG HB2 H 1 1.919 0.05 . 2 . . . . 73 ARG HB1 . 16037 1 923 . 1 1 73 73 ARG HB3 H 1 1.663 0.05 . 2 . . . . 73 ARG HB2 . 16037 1 924 . 1 1 73 73 ARG HD2 H 1 2.766 0.05 . 2 . . . . 73 ARG HD1 . 16037 1 925 . 1 1 73 73 ARG HD3 H 1 3.336 0.05 . 2 . . . . 73 ARG HD2 . 16037 1 926 . 1 1 73 73 ARG HE H 1 8.763 0.05 . 1 . . . . 73 ARG HE . 16037 1 927 . 1 1 73 73 ARG HG2 H 1 1.061 0.05 . 2 . . . . 73 ARG HG1 . 16037 1 928 . 1 1 73 73 ARG HG3 H 1 1.061 0.05 . 2 . . . . 73 ARG HG2 . 16037 1 929 . 1 1 73 73 ARG C C 13 175.313 0.5 . 1 . . . . 73 ARG C . 16037 1 930 . 1 1 73 73 ARG CA C 13 57.973 0.5 . 1 . . . . 73 ARG CA . 16037 1 931 . 1 1 73 73 ARG CB C 13 30.781 0.5 . 1 . . . . 73 ARG CB . 16037 1 932 . 1 1 73 73 ARG CD C 13 43.845 0.5 . 1 . . . . 73 ARG CD . 16037 1 933 . 1 1 73 73 ARG N N 15 118.437 0.5 . 1 . . . . 73 ARG N . 16037 1 934 . 1 1 73 73 ARG NE N 15 82.856 0.5 . 1 . . . . 73 ARG NE . 16037 1 935 . 1 1 74 74 HIS H H 1 8.239 0.05 . 1 . . . . 74 HIS HN . 16037 1 936 . 1 1 74 74 HIS HA H 1 5.330 0.05 . 1 . . . . 74 HIS HA . 16037 1 937 . 1 1 74 74 HIS HB2 H 1 3.271 0.05 . 2 . . . . 74 HIS HB1 . 16037 1 938 . 1 1 74 74 HIS HB3 H 1 3.446 0.05 . 2 . . . . 74 HIS HB2 . 16037 1 939 . 1 1 74 74 HIS HD2 H 1 7.515 0.05 . 1 . . . . 74 HIS HD2 . 16037 1 940 . 1 1 74 74 HIS HE1 H 1 7.018 0.05 . 1 . . . . 74 HIS HE1 . 16037 1 941 . 1 1 74 74 HIS HE2 H 1 11.060 0.05 . 1 . . . . 74 HIS HE2 . 16037 1 942 . 1 1 74 74 HIS C C 13 172.043 0.5 . 1 . . . . 74 HIS C . 16037 1 943 . 1 1 74 74 HIS CA C 13 53.421 0.5 . 1 . . . . 74 HIS CA . 16037 1 944 . 1 1 74 74 HIS CB C 13 34.446 0.5 . 1 . . . . 74 HIS CB . 16037 1 945 . 1 1 74 74 HIS CD2 C 13 115.591 0.5 . 1 . . . . 74 HIS CD2 . 16037 1 946 . 1 1 74 74 HIS CE1 C 13 136.911 0.5 . 1 . . . . 74 HIS CE1 . 16037 1 947 . 1 1 74 74 HIS N N 15 114.290 0.5 . 1 . . . . 74 HIS N . 16037 1 948 . 1 1 74 74 HIS NE2 N 15 164.263 0.5 . 1 . . . . 74 HIS NE2 . 16037 1 949 . 1 1 75 75 ARG H H 1 9.362 0.05 . 1 . . . . 75 ARG HN . 16037 1 950 . 1 1 75 75 ARG HA H 1 4.833 0.05 . 1 . . . . 75 ARG HA . 16037 1 951 . 1 1 75 75 ARG HB2 H 1 1.826 0.05 . 2 . . . . 75 ARG HB1 . 16037 1 952 . 1 1 75 75 ARG HB3 H 1 1.663 0.05 . 2 . . . . 75 ARG HB2 . 16037 1 953 . 1 1 75 75 ARG HD2 H 1 2.902 0.05 . 2 . . . . 75 ARG HD1 . 16037 1 954 . 1 1 75 75 ARG HD3 H 1 2.902 0.05 . 2 . . . . 75 ARG HD2 . 16037 1 955 . 1 1 75 75 ARG HE H 1 7.070 0.05 . 1 . . . . 75 ARG HE . 16037 1 956 . 1 1 75 75 ARG HG2 H 1 1.080 0.05 . 2 . . . . 75 ARG HG1 . 16037 1 957 . 1 1 75 75 ARG HG3 H 1 1.134 0.05 . 2 . . . . 75 ARG HG2 . 16037 1 958 . 1 1 75 75 ARG C C 13 173.453 0.5 . 1 . . . . 75 ARG C . 16037 1 959 . 1 1 75 75 ARG CA C 13 53.713 0.5 . 1 . . . . 75 ARG CA . 16037 1 960 . 1 1 75 75 ARG CB C 13 33.231 0.5 . 1 . . . . 75 ARG CB . 16037 1 961 . 1 1 75 75 ARG CD C 13 43.686 0.5 . 1 . . . . 75 ARG CD . 16037 1 962 . 1 1 75 75 ARG CG C 13 25.247 0.5 . 1 . . . . 75 ARG CG . 16037 1 963 . 1 1 75 75 ARG N N 15 114.629 0.5 . 1 . . . . 75 ARG N . 16037 1 964 . 1 1 75 75 ARG NE N 15 84.918 0.5 . 1 . . . . 75 ARG NE . 16037 1 965 . 1 1 76 76 ASP H H 1 8.702 0.05 . 1 . . . . 76 ASP HN . 16037 1 966 . 1 1 76 76 ASP HA H 1 4.113 0.05 . 1 . . . . 76 ASP HA . 16037 1 967 . 1 1 76 76 ASP HB2 H 1 2.577 0.05 . 2 . . . . 76 ASP HB1 . 16037 1 968 . 1 1 76 76 ASP HB3 H 1 2.858 0.05 . 2 . . . . 76 ASP HB2 . 16037 1 969 . 1 1 76 76 ASP C C 13 174.039 0.5 . 1 . . . . 76 ASP C . 16037 1 970 . 1 1 76 76 ASP CA C 13 55.057 0.5 . 1 . . . . 76 ASP CA . 16037 1 971 . 1 1 76 76 ASP CB C 13 39.759 0.5 . 1 . . . . 76 ASP CB . 16037 1 972 . 1 1 76 76 ASP N N 15 118.050 0.5 . 1 . . . . 76 ASP N . 16037 1 973 . 1 1 77 77 VAL H H 1 7.913 0.05 . 1 . . . . 77 VAL HN . 16037 1 974 . 1 1 77 77 VAL HA H 1 3.947 0.05 . 1 . . . . 77 VAL HA . 16037 1 975 . 1 1 77 77 VAL HB H 1 1.763 0.05 . 1 . . . . 77 VAL HB . 16037 1 976 . 1 1 77 77 VAL HG11 H 1 0.077 0.05 . 2 . . . . 77 VAL HG11 . 16037 1 977 . 1 1 77 77 VAL HG12 H 1 0.077 0.05 . 2 . . . . 77 VAL HG11 . 16037 1 978 . 1 1 77 77 VAL HG13 H 1 0.077 0.05 . 2 . . . . 77 VAL HG11 . 16037 1 979 . 1 1 77 77 VAL HG21 H 1 0.381 0.05 . 2 . . . . 77 VAL HG21 . 16037 1 980 . 1 1 77 77 VAL HG22 H 1 0.381 0.05 . 2 . . . . 77 VAL HG21 . 16037 1 981 . 1 1 77 77 VAL HG23 H 1 0.381 0.05 . 2 . . . . 77 VAL HG21 . 16037 1 982 . 1 1 77 77 VAL C C 13 177.236 0.5 . 1 . . . . 77 VAL C . 16037 1 983 . 1 1 77 77 VAL CA C 13 63.198 0.5 . 1 . . . . 77 VAL CA . 16037 1 984 . 1 1 77 77 VAL CB C 13 30.644 0.5 . 1 . . . . 77 VAL CB . 16037 1 985 . 1 1 77 77 VAL CG1 C 13 20.376 0.5 . 1 . . . . 77 VAL CG1 . 16037 1 986 . 1 1 77 77 VAL CG2 C 13 21.624 0.5 . 1 . . . . 77 VAL CG2 . 16037 1 987 . 1 1 77 77 VAL N N 15 118.073 0.5 . 1 . . . . 77 VAL N . 16037 1 988 . 1 1 78 78 VAL H H 1 9.511 0.05 . 1 . . . . 78 VAL HN . 16037 1 989 . 1 1 78 78 VAL HA H 1 4.343 0.05 . 1 . . . . 78 VAL HA . 16037 1 990 . 1 1 78 78 VAL HB H 1 1.969 0.05 . 1 . . . . 78 VAL HB . 16037 1 991 . 1 1 78 78 VAL HG11 H 1 0.889 0.05 . 2 . . . . 78 VAL HG11 . 16037 1 992 . 1 1 78 78 VAL HG12 H 1 0.889 0.05 . 2 . . . . 78 VAL HG11 . 16037 1 993 . 1 1 78 78 VAL HG13 H 1 0.889 0.05 . 2 . . . . 78 VAL HG11 . 16037 1 994 . 1 1 78 78 VAL HG21 H 1 0.889 0.05 . 2 . . . . 78 VAL HG21 . 16037 1 995 . 1 1 78 78 VAL HG22 H 1 0.889 0.05 . 2 . . . . 78 VAL HG21 . 16037 1 996 . 1 1 78 78 VAL HG23 H 1 0.889 0.05 . 2 . . . . 78 VAL HG21 . 16037 1 997 . 1 1 78 78 VAL CA C 13 61.470 0.5 . 1 . . . . 78 VAL CA . 16037 1 998 . 1 1 78 78 VAL CB C 13 35.139 0.5 . 1 . . . . 78 VAL CB . 16037 1 999 . 1 1 78 78 VAL CG1 C 13 20.905 0.5 . 1 . . . . 78 VAL CG1 . 16037 1 1000 . 1 1 78 78 VAL CG2 C 13 20.905 0.5 . 1 . . . . 78 VAL CG2 . 16037 1 1001 . 1 1 78 78 VAL N N 15 131.425 0.5 . 1 . . . . 78 VAL N . 16037 1 1002 . 1 1 79 79 GLU H H 1 8.884 0.05 . 1 . . . . 79 GLU HN . 16037 1 1003 . 1 1 79 79 GLU HA H 1 4.190 0.05 . 1 . . . . 79 GLU HA . 16037 1 1004 . 1 1 79 79 GLU HB2 H 1 1.948 0.05 . 2 . . . . 79 GLU HB1 . 16037 1 1005 . 1 1 79 79 GLU HB3 H 1 2.030 0.05 . 2 . . . . 79 GLU HB2 . 16037 1 1006 . 1 1 79 79 GLU HG2 H 1 2.001 0.05 . 2 . . . . 79 GLU HG1 . 16037 1 1007 . 1 1 79 79 GLU HG3 H 1 1.828 0.05 . 2 . . . . 79 GLU HG2 . 16037 1 1008 . 1 1 79 79 GLU C C 13 175.945 0.5 . 1 . . . . 79 GLU C . 16037 1 1009 . 1 1 79 79 GLU CA C 13 57.469 0.5 . 1 . . . . 79 GLU CA . 16037 1 1010 . 1 1 79 79 GLU CB C 13 30.626 0.5 . 1 . . . . 79 GLU CB . 16037 1 1011 . 1 1 79 79 GLU CG C 13 36.686 0.5 . 1 . . . . 79 GLU CG . 16037 1 1012 . 1 1 79 79 GLU N N 15 128.013 0.5 . 1 . . . . 79 GLU N . 16037 1 1013 . 1 1 80 80 LEU H H 1 9.311 0.05 . 1 . . . . 80 LEU HN . 16037 1 1014 . 1 1 80 80 LEU HA H 1 4.517 0.05 . 1 . . . . 80 LEU HA . 16037 1 1015 . 1 1 80 80 LEU HB2 H 1 1.414 0.05 . 2 . . . . 80 LEU HB1 . 16037 1 1016 . 1 1 80 80 LEU HB3 H 1 1.228 0.05 . 2 . . . . 80 LEU HB2 . 16037 1 1017 . 1 1 80 80 LEU HD11 H 1 0.849 0.05 . 2 . . . . 80 LEU HD11 . 16037 1 1018 . 1 1 80 80 LEU HD12 H 1 0.849 0.05 . 2 . . . . 80 LEU HD11 . 16037 1 1019 . 1 1 80 80 LEU HD13 H 1 0.849 0.05 . 2 . . . . 80 LEU HD11 . 16037 1 1020 . 1 1 80 80 LEU HD21 H 1 0.841 0.05 . 2 . . . . 80 LEU HD21 . 16037 1 1021 . 1 1 80 80 LEU HD22 H 1 0.841 0.05 . 2 . . . . 80 LEU HD21 . 16037 1 1022 . 1 1 80 80 LEU HD23 H 1 0.841 0.05 . 2 . . . . 80 LEU HD21 . 16037 1 1023 . 1 1 80 80 LEU HG H 1 1.755 0.05 . 1 . . . . 80 LEU HG . 16037 1 1024 . 1 1 80 80 LEU C C 13 176.824 0.5 . 1 . . . . 80 LEU C . 16037 1 1025 . 1 1 80 80 LEU CA C 13 54.962 0.5 . 1 . . . . 80 LEU CA . 16037 1 1026 . 1 1 80 80 LEU CB C 13 44.564 0.5 . 1 . . . . 80 LEU CB . 16037 1 1027 . 1 1 80 80 LEU CD1 C 13 22.950 0.5 . 1 . . . . 80 LEU CD1 . 16037 1 1028 . 1 1 80 80 LEU CD2 C 13 26.803 0.5 . 1 . . . . 80 LEU CD2 . 16037 1 1029 . 1 1 80 80 LEU CG C 13 26.739 0.5 . 1 . . . . 80 LEU CG . 16037 1 1030 . 1 1 80 80 LEU N N 15 127.019 0.5 . 1 . . . . 80 LEU N . 16037 1 1031 . 1 1 81 81 MET H H 1 7.580 0.05 . 1 . . . . 81 MET HN . 16037 1 1032 . 1 1 81 81 MET HA H 1 4.395 0.05 . 1 . . . . 81 MET HA . 16037 1 1033 . 1 1 81 81 MET HB2 H 1 1.937 0.05 . 2 . . . . 81 MET HB1 . 16037 1 1034 . 1 1 81 81 MET HB3 H 1 1.661 0.05 . 2 . . . . 81 MET HB2 . 16037 1 1035 . 1 1 81 81 MET HE1 H 1 1.957 0.05 . 1 . . . . 81 MET HE1 . 16037 1 1036 . 1 1 81 81 MET HE2 H 1 1.957 0.05 . 1 . . . . 81 MET HE1 . 16037 1 1037 . 1 1 81 81 MET HE3 H 1 1.957 0.05 . 1 . . . . 81 MET HE1 . 16037 1 1038 . 1 1 81 81 MET HG2 H 1 2.435 0.05 . 2 . . . . 81 MET HG1 . 16037 1 1039 . 1 1 81 81 MET HG3 H 1 2.106 0.05 . 2 . . . . 81 MET HG2 . 16037 1 1040 . 1 1 81 81 MET C C 13 172.699 0.5 . 1 . . . . 81 MET C . 16037 1 1041 . 1 1 81 81 MET CA C 13 56.277 0.5 . 1 . . . . 81 MET CA . 16037 1 1042 . 1 1 81 81 MET CB C 13 36.399 0.5 . 1 . . . . 81 MET CB . 16037 1 1043 . 1 1 81 81 MET CE C 13 18.522 0.5 . 1 . . . . 81 MET CE . 16037 1 1044 . 1 1 81 81 MET CG C 13 32.554 0.5 . 1 . . . . 81 MET CG . 16037 1 1045 . 1 1 81 81 MET N N 15 116.762 0.5 . 1 . . . . 81 MET N . 16037 1 1046 . 1 1 82 82 ARG H H 1 8.181 0.05 . 1 . . . . 82 ARG HN . 16037 1 1047 . 1 1 82 82 ARG HA H 1 5.197 0.05 . 1 . . . . 82 ARG HA . 16037 1 1048 . 1 1 82 82 ARG HB2 H 1 1.858 0.05 . 2 . . . . 82 ARG HB1 . 16037 1 1049 . 1 1 82 82 ARG HB3 H 1 1.579 0.05 . 2 . . . . 82 ARG HB2 . 16037 1 1050 . 1 1 82 82 ARG HD2 H 1 3.156 0.05 . 2 . . . . 82 ARG HD1 . 16037 1 1051 . 1 1 82 82 ARG HD3 H 1 2.964 0.05 . 2 . . . . 82 ARG HD2 . 16037 1 1052 . 1 1 82 82 ARG HE H 1 7.739 0.05 . 1 . . . . 82 ARG HE . 16037 1 1053 . 1 1 82 82 ARG HG2 H 1 1.210 0.05 . 2 . . . . 82 ARG HG1 . 16037 1 1054 . 1 1 82 82 ARG HG3 H 1 1.272 0.05 . 2 . . . . 82 ARG HG2 . 16037 1 1055 . 1 1 82 82 ARG C C 13 174.211 0.5 . 1 . . . . 82 ARG C . 16037 1 1056 . 1 1 82 82 ARG CA C 13 55.846 0.5 . 1 . . . . 82 ARG CA . 16037 1 1057 . 1 1 82 82 ARG CB C 13 32.468 0.5 . 1 . . . . 82 ARG CB . 16037 1 1058 . 1 1 82 82 ARG CD C 13 43.781 0.5 . 1 . . . . 82 ARG CD . 16037 1 1059 . 1 1 82 82 ARG CG C 13 27.586 0.5 . 1 . . . . 82 ARG CG . 16037 1 1060 . 1 1 82 82 ARG N N 15 124.954 0.5 . 1 . . . . 82 ARG N . 16037 1 1061 . 1 1 82 82 ARG NE N 15 84.396 0.5 . 1 . . . . 82 ARG NE . 16037 1 1062 . 1 1 83 83 ASP H H 1 8.615 0.05 . 1 . . . . 83 ASP HN . 16037 1 1063 . 1 1 83 83 ASP HA H 1 4.811 0.05 . 1 . . . . 83 ASP HA . 16037 1 1064 . 1 1 83 83 ASP HB2 H 1 2.555 0.05 . 2 . . . . 83 ASP HB1 . 16037 1 1065 . 1 1 83 83 ASP HB3 H 1 2.412 0.05 . 2 . . . . 83 ASP HB2 . 16037 1 1066 . 1 1 83 83 ASP C C 13 174.185 0.5 . 1 . . . . 83 ASP C . 16037 1 1067 . 1 1 83 83 ASP CA C 13 52.392 0.5 . 1 . . . . 83 ASP CA . 16037 1 1068 . 1 1 83 83 ASP CB C 13 45.138 0.5 . 1 . . . . 83 ASP CB . 16037 1 1069 . 1 1 83 83 ASP N N 15 124.864 0.5 . 1 . . . . 83 ASP N . 16037 1 1070 . 1 1 84 84 TYR H H 1 8.556 0.05 . 1 . . . . 84 TYR HN . 16037 1 1071 . 1 1 84 84 TYR HA H 1 5.348 0.05 . 1 . . . . 84 TYR HA . 16037 1 1072 . 1 1 84 84 TYR HB2 H 1 2.696 0.05 . 2 . . . . 84 TYR HB1 . 16037 1 1073 . 1 1 84 84 TYR HB3 H 1 3.074 0.05 . 2 . . . . 84 TYR HB2 . 16037 1 1074 . 1 1 84 84 TYR HD1 H 1 7.141 0.05 . 3 . . . . 84 TYR HD1 . 16037 1 1075 . 1 1 84 84 TYR HD2 H 1 7.141 0.05 . 3 . . . . 84 TYR HD2 . 16037 1 1076 . 1 1 84 84 TYR HE1 H 1 6.806 0.05 . 3 . . . . 84 TYR HE1 . 16037 1 1077 . 1 1 84 84 TYR HE2 H 1 6.806 0.05 . 3 . . . . 84 TYR HE2 . 16037 1 1078 . 1 1 84 84 TYR C C 13 175.935 0.5 . 1 . . . . 84 TYR C . 16037 1 1079 . 1 1 84 84 TYR CA C 13 57.496 0.5 . 1 . . . . 84 TYR CA . 16037 1 1080 . 1 1 84 84 TYR CB C 13 40.013 0.5 . 1 . . . . 84 TYR CB . 16037 1 1081 . 1 1 84 84 TYR CD1 C 13 133.011 0.5 . 3 . . . . 84 TYR CD1 . 16037 1 1082 . 1 1 84 84 TYR CD2 C 13 133.011 0.5 . 3 . . . . 84 TYR CD2 . 16037 1 1083 . 1 1 84 84 TYR CE1 C 13 118.291 0.5 . 3 . . . . 84 TYR CE1 . 16037 1 1084 . 1 1 84 84 TYR CE2 C 13 118.291 0.5 . 3 . . . . 84 TYR CE2 . 16037 1 1085 . 1 1 84 84 TYR N N 15 119.705 0.5 . 1 . . . . 84 TYR N . 16037 1 1086 . 1 1 85 85 SER H H 1 8.684 0.05 . 1 . . . . 85 SER HN . 16037 1 1087 . 1 1 85 85 SER HA H 1 4.624 0.05 . 1 . . . . 85 SER HA . 16037 1 1088 . 1 1 85 85 SER HB2 H 1 3.516 0.05 . 2 . . . . 85 SER HB1 . 16037 1 1089 . 1 1 85 85 SER HB3 H 1 3.649 0.05 . 2 . . . . 85 SER HB2 . 16037 1 1090 . 1 1 85 85 SER C C 13 173.141 0.5 . 1 . . . . 85 SER C . 16037 1 1091 . 1 1 85 85 SER CA C 13 56.590 0.5 . 1 . . . . 85 SER CA . 16037 1 1092 . 1 1 85 85 SER CB C 13 65.148 0.5 . 1 . . . . 85 SER CB . 16037 1 1093 . 1 1 85 85 SER N N 15 116.700 0.5 . 1 . . . . 85 SER N . 16037 1 1094 . 1 1 86 86 ALA H H 1 8.723 0.05 . 1 . . . . 86 ALA HN . 16037 1 1095 . 1 1 86 86 ALA HA H 1 4.430 0.05 . 1 . . . . 86 ALA HA . 16037 1 1096 . 1 1 86 86 ALA HB1 H 1 1.294 0.05 . 1 . . . . 86 ALA HB1 . 16037 1 1097 . 1 1 86 86 ALA HB2 H 1 1.294 0.05 . 1 . . . . 86 ALA HB1 . 16037 1 1098 . 1 1 86 86 ALA HB3 H 1 1.294 0.05 . 1 . . . . 86 ALA HB1 . 16037 1 1099 . 1 1 86 86 ALA C C 13 176.805 0.5 . 1 . . . . 86 ALA C . 16037 1 1100 . 1 1 86 86 ALA CA C 13 52.785 0.5 . 1 . . . . 86 ALA CA . 16037 1 1101 . 1 1 86 86 ALA CB C 13 19.751 0.5 . 1 . . . . 86 ALA CB . 16037 1 1102 . 1 1 86 86 ALA N N 15 125.820 0.5 . 1 . . . . 86 ALA N . 16037 1 1103 . 1 1 87 87 TYR H H 1 7.586 0.05 . 1 . . . . 87 TYR HN . 16037 1 1104 . 1 1 87 87 TYR HA H 1 4.646 0.05 . 1 . . . . 87 TYR HA . 16037 1 1105 . 1 1 87 87 TYR HB2 H 1 2.702 0.05 . 2 . . . . 87 TYR HB1 . 16037 1 1106 . 1 1 87 87 TYR HB3 H 1 3.009 0.05 . 2 . . . . 87 TYR HB2 . 16037 1 1107 . 1 1 87 87 TYR HD1 H 1 6.912 0.05 . 3 . . . . 87 TYR HD1 . 16037 1 1108 . 1 1 87 87 TYR HD2 H 1 6.912 0.05 . 3 . . . . 87 TYR HD2 . 16037 1 1109 . 1 1 87 87 TYR HE1 H 1 6.749 0.05 . 3 . . . . 87 TYR HE1 . 16037 1 1110 . 1 1 87 87 TYR HE2 H 1 6.749 0.05 . 3 . . . . 87 TYR HE2 . 16037 1 1111 . 1 1 87 87 TYR C C 13 173.549 0.5 . 1 . . . . 87 TYR C . 16037 1 1112 . 1 1 87 87 TYR CA C 13 56.031 0.5 . 1 . . . . 87 TYR CA . 16037 1 1113 . 1 1 87 87 TYR CB C 13 40.189 0.5 . 1 . . . . 87 TYR CB . 16037 1 1114 . 1 1 87 87 TYR CD1 C 13 133.581 0.5 . 3 . . . . 87 TYR CD1 . 16037 1 1115 . 1 1 87 87 TYR CD2 C 13 133.781 0.5 . 3 . . . . 87 TYR CD2 . 16037 1 1116 . 1 1 87 87 TYR CE1 C 13 117.910 0.5 . 3 . . . . 87 TYR CE1 . 16037 1 1117 . 1 1 87 87 TYR CE2 C 13 117.910 0.5 . 3 . . . . 87 TYR CE2 . 16037 1 1118 . 1 1 87 87 TYR N N 15 114.195 0.5 . 1 . . . . 87 TYR N . 16037 1 1119 . 1 1 88 88 ARG H H 1 8.520 0.05 . 1 . . . . 88 ARG HN . 16037 1 1120 . 1 1 88 88 ARG HA H 1 4.096 0.05 . 1 . . . . 88 ARG HA . 16037 1 1121 . 1 1 88 88 ARG HB2 H 1 1.538 0.05 . 2 . . . . 88 ARG HB1 . 16037 1 1122 . 1 1 88 88 ARG HB3 H 1 1.657 0.05 . 2 . . . . 88 ARG HB2 . 16037 1 1123 . 1 1 88 88 ARG HD2 H 1 2.917 0.05 . 2 . . . . 88 ARG HD1 . 16037 1 1124 . 1 1 88 88 ARG HD3 H 1 3.403 0.05 . 2 . . . . 88 ARG HD2 . 16037 1 1125 . 1 1 88 88 ARG HE H 1 6.690 0.05 . 1 . . . . 88 ARG HE . 16037 1 1126 . 1 1 88 88 ARG HG2 H 1 1.226 0.05 . 2 . . . . 88 ARG HG1 . 16037 1 1127 . 1 1 88 88 ARG HG3 H 1 1.382 0.05 . 2 . . . . 88 ARG HG2 . 16037 1 1128 . 1 1 88 88 ARG C C 13 176.201 0.5 . 1 . . . . 88 ARG C . 16037 1 1129 . 1 1 88 88 ARG CA C 13 55.828 0.5 . 1 . . . . 88 ARG CA . 16037 1 1130 . 1 1 88 88 ARG CB C 13 31.416 0.5 . 1 . . . . 88 ARG CB . 16037 1 1131 . 1 1 88 88 ARG CD C 13 43.871 0.5 . 1 . . . . 88 ARG CD . 16037 1 1132 . 1 1 88 88 ARG CG C 13 28.929 0.5 . 1 . . . . 88 ARG CG . 16037 1 1133 . 1 1 88 88 ARG N N 15 122.154 0.5 . 1 . . . . 88 ARG N . 16037 1 1134 . 1 1 89 89 ARG H H 1 11.667 0.05 . 1 . . . . 89 ARG HN . 16037 1 1135 . 1 1 89 89 ARG HA H 1 4.146 0.05 . 1 . . . . 89 ARG HA . 16037 1 1136 . 1 1 89 89 ARG HB2 H 1 0.802 0.05 . 2 . . . . 89 ARG HB1 . 16037 1 1137 . 1 1 89 89 ARG HB3 H 1 1.177 0.05 . 2 . . . . 89 ARG HB2 . 16037 1 1138 . 1 1 89 89 ARG HD2 H 1 2.621 0.05 . 2 . . . . 89 ARG HD1 . 16037 1 1139 . 1 1 89 89 ARG HD3 H 1 2.741 0.05 . 2 . . . . 89 ARG HD2 . 16037 1 1140 . 1 1 89 89 ARG HE H 1 7.508 0.05 . 1 . . . . 89 ARG HE . 16037 1 1141 . 1 1 89 89 ARG HG2 H 1 1.361 0.05 . 2 . . . . 89 ARG HG1 . 16037 1 1142 . 1 1 89 89 ARG HG3 H 1 1.361 0.05 . 2 . . . . 89 ARG HG2 . 16037 1 1143 . 1 1 89 89 ARG C C 13 176.860 0.5 . 1 . . . . 89 ARG C . 16037 1 1144 . 1 1 89 89 ARG CA C 13 57.241 0.5 . 1 . . . . 89 ARG CA . 16037 1 1145 . 1 1 89 89 ARG CB C 13 30.678 0.5 . 1 . . . . 89 ARG CB . 16037 1 1146 . 1 1 89 89 ARG CD C 13 43.673 0.5 . 1 . . . . 89 ARG CD . 16037 1 1147 . 1 1 89 89 ARG CG C 13 28.929 0.5 . 1 . . . . 89 ARG CG . 16037 1 1148 . 1 1 89 89 ARG N N 15 129.281 0.5 . 1 . . . . 89 ARG N . 16037 1 1149 . 1 1 89 89 ARG NE N 15 85.729 0.5 . 1 . . . . 89 ARG NE . 16037 1 1150 . 1 1 90 90 PHE H H 1 9.437 0.05 . 1 . . . . 90 PHE HN . 16037 1 1151 . 1 1 90 90 PHE HA H 1 4.872 0.05 . 1 . . . . 90 PHE HA . 16037 1 1152 . 1 1 90 90 PHE HB2 H 1 3.264 0.05 . 2 . . . . 90 PHE HB1 . 16037 1 1153 . 1 1 90 90 PHE HB3 H 1 2.799 0.05 . 2 . . . . 90 PHE HB2 . 16037 1 1154 . 1 1 90 90 PHE HD1 H 1 7.081 0.05 . 3 . . . . 90 PHE HD1 . 16037 1 1155 . 1 1 90 90 PHE HD2 H 1 7.081 0.05 . 3 . . . . 90 PHE HD2 . 16037 1 1156 . 1 1 90 90 PHE HE1 H 1 7.132 0.05 . 3 . . . . 90 PHE HE1 . 16037 1 1157 . 1 1 90 90 PHE HE2 H 1 7.132 0.05 . 3 . . . . 90 PHE HE2 . 16037 1 1158 . 1 1 90 90 PHE HZ H 1 6.947 0.05 . 1 . . . . 90 PHE HZ . 16037 1 1159 . 1 1 90 90 PHE C C 13 175.092 0.5 . 1 . . . . 90 PHE C . 16037 1 1160 . 1 1 90 90 PHE CA C 13 56.514 0.5 . 1 . . . . 90 PHE CA . 16037 1 1161 . 1 1 90 90 PHE CB C 13 37.912 0.5 . 1 . . . . 90 PHE CB . 16037 1 1162 . 1 1 90 90 PHE CD1 C 13 131.854 0.5 . 3 . . . . 90 PHE CD1 . 16037 1 1163 . 1 1 90 90 PHE CD2 C 13 131.854 0.5 . 3 . . . . 90 PHE CD2 . 16037 1 1164 . 1 1 90 90 PHE CE1 C 13 130.362 0.5 . 3 . . . . 90 PHE CE1 . 16037 1 1165 . 1 1 90 90 PHE CE2 C 13 130.362 0.5 . 3 . . . . 90 PHE CE2 . 16037 1 1166 . 1 1 90 90 PHE CZ C 13 127.696 0.5 . 1 . . . . 90 PHE CZ . 16037 1 1167 . 1 1 90 90 PHE N N 15 120.878 0.5 . 1 . . . . 90 PHE N . 16037 1 1168 . 1 1 91 91 HIS H H 1 7.633 0.05 . 1 . . . . 91 HIS HN . 16037 1 1169 . 1 1 91 91 HIS HA H 1 4.249 0.05 . 1 . . . . 91 HIS HA . 16037 1 1170 . 1 1 91 91 HIS HB2 H 1 3.024 0.05 . 2 . . . . 91 HIS HB1 . 16037 1 1171 . 1 1 91 91 HIS HB3 H 1 3.024 0.05 . 2 . . . . 91 HIS HB2 . 16037 1 1172 . 1 1 91 91 HIS HD2 H 1 6.970 0.05 . 1 . . . . 91 HIS HD2 . 16037 1 1173 . 1 1 91 91 HIS C C 13 177.367 0.5 . 1 . . . . 91 HIS C . 16037 1 1174 . 1 1 91 91 HIS CA C 13 57.689 0.5 . 1 . . . . 91 HIS CA . 16037 1 1175 . 1 1 91 91 HIS CB C 13 31.841 0.5 . 1 . . . . 91 HIS CB . 16037 1 1176 . 1 1 91 91 HIS CD2 C 13 118.803 0.5 . 1 . . . . 91 HIS CD2 . 16037 1 1177 . 1 1 91 91 HIS N N 15 117.239 0.5 . 1 . . . . 91 HIS N . 16037 1 1178 . 1 1 92 92 GLY H H 1 8.794 0.05 . 1 . . . . 92 GLY HN . 16037 1 1179 . 1 1 92 92 GLY HA2 H 1 3.637 0.05 . 2 . . . . 92 GLY HA1 . 16037 1 1180 . 1 1 92 92 GLY HA3 H 1 4.185 0.05 . 2 . . . . 92 GLY HA2 . 16037 1 1181 . 1 1 92 92 GLY C C 13 173.514 0.5 . 1 . . . . 92 GLY C . 16037 1 1182 . 1 1 92 92 GLY CA C 13 45.799 0.5 . 1 . . . . 92 GLY CA . 16037 1 1183 . 1 1 92 92 GLY N N 15 112.080 0.5 . 1 . . . . 92 GLY N . 16037 1 1184 . 1 1 93 93 THR H H 1 7.776 0.05 . 1 . . . . 93 THR HN . 16037 1 1185 . 1 1 93 93 THR HA H 1 4.442 0.05 . 1 . . . . 93 THR HA . 16037 1 1186 . 1 1 93 93 THR HB H 1 4.238 0.05 . 1 . . . . 93 THR HB . 16037 1 1187 . 1 1 93 93 THR HG21 H 1 1.151 0.05 . 1 . . . . 93 THR HG21 . 16037 1 1188 . 1 1 93 93 THR HG22 H 1 1.151 0.05 . 1 . . . . 93 THR HG21 . 16037 1 1189 . 1 1 93 93 THR HG23 H 1 1.151 0.05 . 1 . . . . 93 THR HG21 . 16037 1 1190 . 1 1 93 93 THR C C 13 173.680 0.5 . 1 . . . . 93 THR C . 16037 1 1191 . 1 1 93 93 THR CA C 13 61.138 0.5 . 1 . . . . 93 THR CA . 16037 1 1192 . 1 1 93 93 THR CB C 13 69.861 0.5 . 1 . . . . 93 THR CB . 16037 1 1193 . 1 1 93 93 THR CG2 C 13 22.000 0.5 . 1 . . . . 93 THR CG2 . 16037 1 1194 . 1 1 93 93 THR N N 15 116.322 0.5 . 1 . . . . 93 THR N . 16037 1 1195 . 1 1 94 94 GLY H H 1 8.762 0.05 . 1 . . . . 94 GLY HN . 16037 1 1196 . 1 1 94 94 GLY HA2 H 1 4.190 0.05 . 2 . . . . 94 GLY HA1 . 16037 1 1197 . 1 1 94 94 GLY HA3 H 1 4.322 0.05 . 2 . . . . 94 GLY HA2 . 16037 1 1198 . 1 1 94 94 GLY C C 13 174.079 0.5 . 1 . . . . 94 GLY C . 16037 1 1199 . 1 1 94 94 GLY CA C 13 47.534 0.5 . 1 . . . . 94 GLY CA . 16037 1 1200 . 1 1 94 94 GLY N N 15 115.002 0.5 . 1 . . . . 94 GLY N . 16037 1 1201 . 1 1 95 95 MET H H 1 7.452 0.05 . 1 . . . . 95 MET HN . 16037 1 1202 . 1 1 95 95 MET HA H 1 4.537 0.05 . 1 . . . . 95 MET HA . 16037 1 1203 . 1 1 95 95 MET HB2 H 1 2.030 0.05 . 2 . . . . 95 MET HB1 . 16037 1 1204 . 1 1 95 95 MET HB3 H 1 1.872 0.05 . 2 . . . . 95 MET HB2 . 16037 1 1205 . 1 1 95 95 MET HE1 H 1 2.105 0.05 . 1 . . . . 95 MET HE1 . 16037 1 1206 . 1 1 95 95 MET HE2 H 1 2.105 0.05 . 1 . . . . 95 MET HE1 . 16037 1 1207 . 1 1 95 95 MET HE3 H 1 2.105 0.05 . 1 . . . . 95 MET HE1 . 16037 1 1208 . 1 1 95 95 MET HG2 H 1 2.212 0.05 . 2 . . . . 95 MET HG1 . 16037 1 1209 . 1 1 95 95 MET HG3 H 1 2.018 0.05 . 2 . . . . 95 MET HG2 . 16037 1 1210 . 1 1 95 95 MET C C 13 172.424 0.5 . 1 . . . . 95 MET C . 16037 1 1211 . 1 1 95 95 MET CA C 13 54.009 0.5 . 1 . . . . 95 MET CA . 16037 1 1212 . 1 1 95 95 MET CB C 13 30.100 0.5 . 1 . . . . 95 MET CB . 16037 1 1213 . 1 1 95 95 MET CE C 13 14.538 0.5 . 1 . . . . 95 MET CE . 16037 1 1214 . 1 1 95 95 MET CG C 13 28.545 0.5 . 1 . . . . 95 MET CG . 16037 1 1215 . 1 1 95 95 MET N N 15 114.096 0.5 . 1 . . . . 95 MET N . 16037 1 1216 . 1 1 96 96 ARG H H 1 7.427 0.05 . 1 . . . . 96 ARG HN . 16037 1 1217 . 1 1 96 96 ARG HA H 1 4.525 0.05 . 1 . . . . 96 ARG HA . 16037 1 1218 . 1 1 96 96 ARG HB2 H 1 1.610 0.05 . 2 . . . . 96 ARG HB1 . 16037 1 1219 . 1 1 96 96 ARG HB3 H 1 1.610 0.05 . 2 . . . . 96 ARG HB2 . 16037 1 1220 . 1 1 96 96 ARG HD2 H 1 2.580 0.05 . 2 . . . . 96 ARG HD1 . 16037 1 1221 . 1 1 96 96 ARG HD3 H 1 2.712 0.05 . 2 . . . . 96 ARG HD2 . 16037 1 1222 . 1 1 96 96 ARG HE H 1 7.225 0.05 . 1 . . . . 96 ARG HE . 16037 1 1223 . 1 1 96 96 ARG HG2 H 1 1.485 0.05 . 2 . . . . 96 ARG HG1 . 16037 1 1224 . 1 1 96 96 ARG HG3 H 1 1.485 0.05 . 2 . . . . 96 ARG HG2 . 16037 1 1225 . 1 1 96 96 ARG C C 13 173.353 0.5 . 1 . . . . 96 ARG C . 16037 1 1226 . 1 1 96 96 ARG CA C 13 54.856 0.5 . 1 . . . . 96 ARG CA . 16037 1 1227 . 1 1 96 96 ARG CB C 13 33.647 0.5 . 1 . . . . 96 ARG CB . 16037 1 1228 . 1 1 96 96 ARG CD C 13 43.345 0.5 . 1 . . . . 96 ARG CD . 16037 1 1229 . 1 1 96 96 ARG CG C 13 27.294 0.5 . 1 . . . . 96 ARG CG . 16037 1 1230 . 1 1 96 96 ARG N N 15 123.679 0.5 . 1 . . . . 96 ARG N . 16037 1 1231 . 1 1 96 96 ARG NE N 15 84.542 0.5 . 1 . . . . 96 ARG NE . 16037 1 1232 . 1 1 97 97 ILE H H 1 8.646 0.05 . 1 . . . . 97 ILE HN . 16037 1 1233 . 1 1 97 97 ILE HA H 1 5.806 0.05 . 1 . . . . 97 ILE HA . 16037 1 1234 . 1 1 97 97 ILE HB H 1 1.650 0.05 . 1 . . . . 97 ILE HB . 16037 1 1235 . 1 1 97 97 ILE HD11 H 1 0.842 0.05 . 1 . . . . 97 ILE HD11 . 16037 1 1236 . 1 1 97 97 ILE HD12 H 1 0.842 0.05 . 1 . . . . 97 ILE HD11 . 16037 1 1237 . 1 1 97 97 ILE HD13 H 1 0.842 0.05 . 1 . . . . 97 ILE HD11 . 16037 1 1238 . 1 1 97 97 ILE HG12 H 1 1.463 0.05 . 1 . . . . 97 ILE HG11 . 16037 1 1239 . 1 1 97 97 ILE HG13 H 1 1.203 0.05 . 1 . . . . 97 ILE HG12 . 16037 1 1240 . 1 1 97 97 ILE HG21 H 1 0.990 0.05 . 1 . . . . 97 ILE HG21 . 16037 1 1241 . 1 1 97 97 ILE HG22 H 1 0.990 0.05 . 1 . . . . 97 ILE HG21 . 16037 1 1242 . 1 1 97 97 ILE HG23 H 1 0.990 0.05 . 1 . . . . 97 ILE HG21 . 16037 1 1243 . 1 1 97 97 ILE C C 13 173.825 0.5 . 1 . . . . 97 ILE C . 16037 1 1244 . 1 1 97 97 ILE CA C 13 57.076 0.5 . 1 . . . . 97 ILE CA . 16037 1 1245 . 1 1 97 97 ILE CB C 13 41.801 0.5 . 1 . . . . 97 ILE CB . 16037 1 1246 . 1 1 97 97 ILE CD1 C 13 14.988 0.5 . 1 . . . . 97 ILE CD1 . 16037 1 1247 . 1 1 97 97 ILE CG1 C 13 29.184 0.5 . 1 . . . . 97 ILE CG1 . 16037 1 1248 . 1 1 97 97 ILE CG2 C 13 16.398 0.5 . 1 . . . . 97 ILE CG2 . 16037 1 1249 . 1 1 97 97 ILE N N 15 120.891 0.5 . 1 . . . . 97 ILE N . 16037 1 1250 . 1 1 98 98 LEU H H 1 8.896 0.05 . 1 . . . . 98 LEU HN . 16037 1 1251 . 1 1 98 98 LEU HA H 1 4.749 0.05 . 1 . . . . 98 LEU HA . 16037 1 1252 . 1 1 98 98 LEU HB2 H 1 1.575 0.05 . 2 . . . . 98 LEU HB1 . 16037 1 1253 . 1 1 98 98 LEU HB3 H 1 1.477 0.05 . 2 . . . . 98 LEU HB2 . 16037 1 1254 . 1 1 98 98 LEU HD11 H 1 0.762 0.05 . 2 . . . . 98 LEU HD11 . 16037 1 1255 . 1 1 98 98 LEU HD12 H 1 0.762 0.05 . 2 . . . . 98 LEU HD11 . 16037 1 1256 . 1 1 98 98 LEU HD13 H 1 0.762 0.05 . 2 . . . . 98 LEU HD11 . 16037 1 1257 . 1 1 98 98 LEU HD21 H 1 0.659 0.05 . 2 . . . . 98 LEU HD21 . 16037 1 1258 . 1 1 98 98 LEU HD22 H 1 0.659 0.05 . 2 . . . . 98 LEU HD21 . 16037 1 1259 . 1 1 98 98 LEU HD23 H 1 0.659 0.05 . 2 . . . . 98 LEU HD21 . 16037 1 1260 . 1 1 98 98 LEU HG H 1 1.538 0.05 . 1 . . . . 98 LEU HG . 16037 1 1261 . 1 1 98 98 LEU C C 13 174.208 0.5 . 1 . . . . 98 LEU C . 16037 1 1262 . 1 1 98 98 LEU CA C 13 55.083 0.5 . 1 . . . . 98 LEU CA . 16037 1 1263 . 1 1 98 98 LEU CB C 13 43.842 0.5 . 1 . . . . 98 LEU CB . 16037 1 1264 . 1 1 98 98 LEU CD1 C 13 25.701 0.5 . 1 . . . . 98 LEU CD1 . 16037 1 1265 . 1 1 98 98 LEU CD2 C 13 26.319 0.5 . 1 . . . . 98 LEU CD2 . 16037 1 1266 . 1 1 98 98 LEU CG C 13 28.558 0.5 . 1 . . . . 98 LEU CG . 16037 1 1267 . 1 1 98 98 LEU N N 15 127.872 0.5 . 1 . . . . 98 LEU N . 16037 1 1268 . 1 1 99 99 ASP H H 1 9.085 0.05 . 1 . . . . 99 ASP HN . 16037 1 1269 . 1 1 99 99 ASP HA H 1 5.120 0.05 . 1 . . . . 99 ASP HA . 16037 1 1270 . 1 1 99 99 ASP HB2 H 1 2.478 0.05 . 2 . . . . 99 ASP HB1 . 16037 1 1271 . 1 1 99 99 ASP HB3 H 1 3.283 0.05 . 2 . . . . 99 ASP HB2 . 16037 1 1272 . 1 1 99 99 ASP C C 13 177.066 0.5 . 1 . . . . 99 ASP C . 16037 1 1273 . 1 1 99 99 ASP CA C 13 52.790 0.5 . 1 . . . . 99 ASP CA . 16037 1 1274 . 1 1 99 99 ASP CB C 13 39.817 0.5 . 1 . . . . 99 ASP CB . 16037 1 1275 . 1 1 99 99 ASP N N 15 125.120 0.5 . 1 . . . . 99 ASP N . 16037 1 1276 . 1 1 100 100 LEU H H 1 9.054 0.05 . 1 . . . . 100 LEU HN . 16037 1 1277 . 1 1 100 100 LEU HA H 1 4.182 0.05 . 1 . . . . 100 LEU HA . 16037 1 1278 . 1 1 100 100 LEU HB2 H 1 1.680 0.05 . 2 . . . . 100 LEU HB1 . 16037 1 1279 . 1 1 100 100 LEU HB3 H 1 1.860 0.05 . 2 . . . . 100 LEU HB2 . 16037 1 1280 . 1 1 100 100 LEU HD11 H 1 1.033 0.05 . 2 . . . . 100 LEU HD11 . 16037 1 1281 . 1 1 100 100 LEU HD12 H 1 1.033 0.05 . 2 . . . . 100 LEU HD11 . 16037 1 1282 . 1 1 100 100 LEU HD13 H 1 1.033 0.05 . 2 . . . . 100 LEU HD11 . 16037 1 1283 . 1 1 100 100 LEU HD21 H 1 0.823 0.05 . 2 . . . . 100 LEU HD21 . 16037 1 1284 . 1 1 100 100 LEU HD22 H 1 0.823 0.05 . 2 . . . . 100 LEU HD21 . 16037 1 1285 . 1 1 100 100 LEU HD23 H 1 0.823 0.05 . 2 . . . . 100 LEU HD21 . 16037 1 1286 . 1 1 100 100 LEU HG H 1 1.905 0.05 . 1 . . . . 100 LEU HG . 16037 1 1287 . 1 1 100 100 LEU C C 13 178.205 0.5 . 1 . . . . 100 LEU C . 16037 1 1288 . 1 1 100 100 LEU CA C 13 56.842 0.5 . 1 . . . . 100 LEU CA . 16037 1 1289 . 1 1 100 100 LEU CB C 13 41.225 0.5 . 1 . . . . 100 LEU CB . 16037 1 1290 . 1 1 100 100 LEU CD1 C 13 27.841 0.5 . 1 . . . . 100 LEU CD1 . 16037 1 1291 . 1 1 100 100 LEU CD2 C 13 23.252 0.5 . 1 . . . . 100 LEU CD2 . 16037 1 1292 . 1 1 100 100 LEU CG C 13 27.619 0.5 . 1 . . . . 100 LEU CG . 16037 1 1293 . 1 1 100 100 LEU N N 15 123.395 0.5 . 1 . . . . 100 LEU N . 16037 1 1294 . 1 1 101 101 ARG H H 1 8.486 0.05 . 1 . . . . 101 ARG HN . 16037 1 1295 . 1 1 101 101 ARG HA H 1 4.143 0.05 . 1 . . . . 101 ARG HA . 16037 1 1296 . 1 1 101 101 ARG HB2 H 1 1.914 0.05 . 2 . . . . 101 ARG HB1 . 16037 1 1297 . 1 1 101 101 ARG HB3 H 1 1.914 0.05 . 2 . . . . 101 ARG HB2 . 16037 1 1298 . 1 1 101 101 ARG HD2 H 1 3.037 0.05 . 2 . . . . 101 ARG HD1 . 16037 1 1299 . 1 1 101 101 ARG HD3 H 1 3.037 0.05 . 2 . . . . 101 ARG HD2 . 16037 1 1300 . 1 1 101 101 ARG HE H 1 9.149 0.05 . 1 . . . . 101 ARG HE . 16037 1 1301 . 1 1 101 101 ARG HG2 H 1 1.689 0.05 . 2 . . . . 101 ARG HG1 . 16037 1 1302 . 1 1 101 101 ARG HG3 H 1 1.368 0.05 . 2 . . . . 101 ARG HG2 . 16037 1 1303 . 1 1 101 101 ARG C C 13 177.470 0.5 . 1 . . . . 101 ARG C . 16037 1 1304 . 1 1 101 101 ARG CA C 13 58.032 0.5 . 1 . . . . 101 ARG CA . 16037 1 1305 . 1 1 101 101 ARG CB C 13 29.701 0.5 . 1 . . . . 101 ARG CB . 16037 1 1306 . 1 1 101 101 ARG CD C 13 43.473 0.5 . 1 . . . . 101 ARG CD . 16037 1 1307 . 1 1 101 101 ARG CG C 13 26.488 0.5 . 1 . . . . 101 ARG CG . 16037 1 1308 . 1 1 101 101 ARG N N 15 116.441 0.5 . 1 . . . . 101 ARG N . 16037 1 1309 . 1 1 101 101 ARG NE N 15 84.442 0.5 . 1 . . . . 101 ARG NE . 16037 1 1310 . 1 1 102 102 LEU H H 1 7.890 0.05 . 1 . . . . 102 LEU HN . 16037 1 1311 . 1 1 102 102 LEU HA H 1 4.268 0.05 . 1 . . . . 102 LEU HA . 16037 1 1312 . 1 1 102 102 LEU HB2 H 1 1.406 0.05 . 2 . . . . 102 LEU HB1 . 16037 1 1313 . 1 1 102 102 LEU HB3 H 1 1.753 0.05 . 2 . . . . 102 LEU HB2 . 16037 1 1314 . 1 1 102 102 LEU HD11 H 1 1.003 0.05 . 2 . . . . 102 LEU HD11 . 16037 1 1315 . 1 1 102 102 LEU HD12 H 1 1.003 0.05 . 2 . . . . 102 LEU HD11 . 16037 1 1316 . 1 1 102 102 LEU HD13 H 1 1.003 0.05 . 2 . . . . 102 LEU HD11 . 16037 1 1317 . 1 1 102 102 LEU HD21 H 1 0.755 0.05 . 2 . . . . 102 LEU HD21 . 16037 1 1318 . 1 1 102 102 LEU HD22 H 1 0.755 0.05 . 2 . . . . 102 LEU HD21 . 16037 1 1319 . 1 1 102 102 LEU HD23 H 1 0.755 0.05 . 2 . . . . 102 LEU HD21 . 16037 1 1320 . 1 1 102 102 LEU HG H 1 1.493 0.05 . 1 . . . . 102 LEU HG . 16037 1 1321 . 1 1 102 102 LEU C C 13 176.281 0.5 . 1 . . . . 102 LEU C . 16037 1 1322 . 1 1 102 102 LEU CA C 13 54.264 0.5 . 1 . . . . 102 LEU CA . 16037 1 1323 . 1 1 102 102 LEU CB C 13 41.804 0.5 . 1 . . . . 102 LEU CB . 16037 1 1324 . 1 1 102 102 LEU CD1 C 13 25.531 0.5 . 1 . . . . 102 LEU CD1 . 16037 1 1325 . 1 1 102 102 LEU CD2 C 13 22.046 0.5 . 1 . . . . 102 LEU CD2 . 16037 1 1326 . 1 1 102 102 LEU CG C 13 26.755 0.5 . 1 . . . . 102 LEU CG . 16037 1 1327 . 1 1 102 102 LEU N N 15 116.010 0.5 . 1 . . . . 102 LEU N . 16037 1 1328 . 1 1 103 103 PHE H H 1 7.438 0.05 . 1 . . . . 103 PHE HN . 16037 1 1329 . 1 1 103 103 PHE HA H 1 4.730 0.05 . 1 . . . . 103 PHE HA . 16037 1 1330 . 1 1 103 103 PHE HB2 H 1 2.600 0.05 . 2 . . . . 103 PHE HB1 . 16037 1 1331 . 1 1 103 103 PHE HB3 H 1 3.364 0.05 . 2 . . . . 103 PHE HB2 . 16037 1 1332 . 1 1 103 103 PHE HD1 H 1 7.292 0.05 . 3 . . . . 103 PHE HD1 . 16037 1 1333 . 1 1 103 103 PHE HD2 H 1 7.292 0.05 . 3 . . . . 103 PHE HD2 . 16037 1 1334 . 1 1 103 103 PHE HE1 H 1 7.337 0.05 . 3 . . . . 103 PHE HE1 . 16037 1 1335 . 1 1 103 103 PHE HE2 H 1 7.337 0.05 . 3 . . . . 103 PHE HE2 . 16037 1 1336 . 1 1 103 103 PHE HZ H 1 7.345 0.05 . 1 . . . . 103 PHE HZ . 16037 1 1337 . 1 1 103 103 PHE C C 13 178.868 0.5 . 1 . . . . 103 PHE C . 16037 1 1338 . 1 1 103 103 PHE CA C 13 57.659 0.5 . 1 . . . . 103 PHE CA . 16037 1 1339 . 1 1 103 103 PHE CB C 13 43.790 0.5 . 1 . . . . 103 PHE CB . 16037 1 1340 . 1 1 103 103 PHE CD1 C 13 131.481 0.5 . 3 . . . . 103 PHE CD1 . 16037 1 1341 . 1 1 103 103 PHE CD2 C 13 131.481 0.5 . 3 . . . . 103 PHE CD2 . 16037 1 1342 . 1 1 103 103 PHE CE1 C 13 131.283 0.5 . 3 . . . . 103 PHE CE1 . 16037 1 1343 . 1 1 103 103 PHE CE2 C 13 131.283 0.5 . 3 . . . . 103 PHE CE2 . 16037 1 1344 . 1 1 103 103 PHE CZ C 13 129.617 0.5 . 1 . . . . 103 PHE CZ . 16037 1 1345 . 1 1 103 103 PHE N N 15 117.399 0.5 . 1 . . . . 103 PHE N . 16037 1 1346 . 1 1 104 104 GLU H H 1 8.630 0.05 . 1 . . . . 104 GLU HN . 16037 1 1347 . 1 1 104 104 GLU HA H 1 4.590 0.05 . 1 . . . . 104 GLU HA . 16037 1 1348 . 1 1 104 104 GLU HB2 H 1 2.338 0.05 . 2 . . . . 104 GLU HB1 . 16037 1 1349 . 1 1 104 104 GLU HB3 H 1 2.017 0.05 . 2 . . . . 104 GLU HB2 . 16037 1 1350 . 1 1 104 104 GLU HG2 H 1 2.372 0.05 . 2 . . . . 104 GLU HG1 . 16037 1 1351 . 1 1 104 104 GLU HG3 H 1 2.446 0.05 . 2 . . . . 104 GLU HG2 . 16037 1 1352 . 1 1 104 104 GLU C C 13 177.784 0.5 . 1 . . . . 104 GLU C . 16037 1 1353 . 1 1 104 104 GLU CA C 13 55.638 0.5 . 1 . . . . 104 GLU CA . 16037 1 1354 . 1 1 104 104 GLU CB C 13 30.706 0.5 . 1 . . . . 104 GLU CB . 16037 1 1355 . 1 1 104 104 GLU CG C 13 36.454 0.5 . 1 . . . . 104 GLU CG . 16037 1 1356 . 1 1 104 104 GLU N N 15 119.969 0.5 . 1 . . . . 104 GLU N . 16037 1 1357 . 1 1 105 105 THR H H 1 8.723 0.05 . 1 . . . . 105 THR HN . 16037 1 1358 . 1 1 105 105 THR HA H 1 3.792 0.05 . 1 . . . . 105 THR HA . 16037 1 1359 . 1 1 105 105 THR HB H 1 4.124 0.05 . 1 . . . . 105 THR HB . 16037 1 1360 . 1 1 105 105 THR HG21 H 1 1.208 0.05 . 1 . . . . 105 THR HG21 . 16037 1 1361 . 1 1 105 105 THR HG22 H 1 1.208 0.05 . 1 . . . . 105 THR HG21 . 16037 1 1362 . 1 1 105 105 THR HG23 H 1 1.208 0.05 . 1 . . . . 105 THR HG21 . 16037 1 1363 . 1 1 105 105 THR C C 13 175.478 0.5 . 1 . . . . 105 THR C . 16037 1 1364 . 1 1 105 105 THR CA C 13 66.301 0.5 . 1 . . . . 105 THR CA . 16037 1 1365 . 1 1 105 105 THR CB C 13 68.849 0.5 . 1 . . . . 105 THR CB . 16037 1 1366 . 1 1 105 105 THR CG2 C 13 22.426 0.5 . 1 . . . . 105 THR CG2 . 16037 1 1367 . 1 1 105 105 THR N N 15 117.537 0.5 . 1 . . . . 105 THR N . 16037 1 1368 . 1 1 106 106 ASP H H 1 8.693 0.05 . 1 . . . . 106 ASP HN . 16037 1 1369 . 1 1 106 106 ASP HA H 1 4.468 0.05 . 1 . . . . 106 ASP HA . 16037 1 1370 . 1 1 106 106 ASP HB2 H 1 2.722 0.05 . 2 . . . . 106 ASP HB1 . 16037 1 1371 . 1 1 106 106 ASP HB3 H 1 2.722 0.05 . 2 . . . . 106 ASP HB2 . 16037 1 1372 . 1 1 106 106 ASP C C 13 178.488 0.5 . 1 . . . . 106 ASP C . 16037 1 1373 . 1 1 106 106 ASP CA C 13 56.862 0.5 . 1 . . . . 106 ASP CA . 16037 1 1374 . 1 1 106 106 ASP CB C 13 39.744 0.5 . 1 . . . . 106 ASP CB . 16037 1 1375 . 1 1 106 106 ASP N N 15 119.473 0.5 . 1 . . . . 106 ASP N . 16037 1 1376 . 1 1 107 107 GLY H H 1 7.932 0.05 . 1 . . . . 107 GLY HN . 16037 1 1377 . 1 1 107 107 GLY HA2 H 1 4.054 0.05 . 2 . . . . 107 GLY HA1 . 16037 1 1378 . 1 1 107 107 GLY HA3 H 1 4.194 0.05 . 2 . . . . 107 GLY HA2 . 16037 1 1379 . 1 1 107 107 GLY C C 13 176.303 0.5 . 1 . . . . 107 GLY C . 16037 1 1380 . 1 1 107 107 GLY CA C 13 46.818 0.5 . 1 . . . . 107 GLY CA . 16037 1 1381 . 1 1 107 107 GLY N N 15 108.360 0.5 . 1 . . . . 107 GLY N . 16037 1 1382 . 1 1 108 108 ALA H H 1 8.504 0.05 . 1 . . . . 108 ALA HN . 16037 1 1383 . 1 1 108 108 ALA HA H 1 3.449 0.05 . 1 . . . . 108 ALA HA . 16037 1 1384 . 1 1 108 108 ALA HB1 H 1 1.163 0.05 . 1 . . . . 108 ALA HB1 . 16037 1 1385 . 1 1 108 108 ALA HB2 H 1 1.163 0.05 . 1 . . . . 108 ALA HB1 . 16037 1 1386 . 1 1 108 108 ALA HB3 H 1 1.163 0.05 . 1 . . . . 108 ALA HB1 . 16037 1 1387 . 1 1 108 108 ALA C C 13 178.761 0.5 . 1 . . . . 108 ALA C . 16037 1 1388 . 1 1 108 108 ALA CA C 13 54.955 0.5 . 1 . . . . 108 ALA CA . 16037 1 1389 . 1 1 108 108 ALA CB C 13 18.469 0.5 . 1 . . . . 108 ALA CB . 16037 1 1390 . 1 1 108 108 ALA N N 15 125.090 0.5 . 1 . . . . 108 ALA N . 16037 1 1391 . 1 1 109 109 LEU H H 1 7.935 0.05 . 1 . . . . 109 LEU HN . 16037 1 1392 . 1 1 109 109 LEU HA H 1 3.888 0.05 . 1 . . . . 109 LEU HA . 16037 1 1393 . 1 1 109 109 LEU HB2 H 1 1.593 0.05 . 2 . . . . 109 LEU HB1 . 16037 1 1394 . 1 1 109 109 LEU HB3 H 1 1.748 0.05 . 2 . . . . 109 LEU HB2 . 16037 1 1395 . 1 1 109 109 LEU HD11 H 1 0.826 0.05 . 2 . . . . 109 LEU HD11 . 16037 1 1396 . 1 1 109 109 LEU HD12 H 1 0.826 0.05 . 2 . . . . 109 LEU HD11 . 16037 1 1397 . 1 1 109 109 LEU HD13 H 1 0.826 0.05 . 2 . . . . 109 LEU HD11 . 16037 1 1398 . 1 1 109 109 LEU HD21 H 1 0.727 0.05 . 2 . . . . 109 LEU HD21 . 16037 1 1399 . 1 1 109 109 LEU HD22 H 1 0.727 0.05 . 2 . . . . 109 LEU HD21 . 16037 1 1400 . 1 1 109 109 LEU HD23 H 1 0.727 0.05 . 2 . . . . 109 LEU HD21 . 16037 1 1401 . 1 1 109 109 LEU HG H 1 1.690 0.05 . 1 . . . . 109 LEU HG . 16037 1 1402 . 1 1 109 109 LEU C C 13 178.508 0.5 . 1 . . . . 109 LEU C . 16037 1 1403 . 1 1 109 109 LEU CA C 13 57.972 0.5 . 1 . . . . 109 LEU CA . 16037 1 1404 . 1 1 109 109 LEU CB C 13 41.456 0.5 . 1 . . . . 109 LEU CB . 16037 1 1405 . 1 1 109 109 LEU CD1 C 13 24.840 0.5 . 1 . . . . 109 LEU CD1 . 16037 1 1406 . 1 1 109 109 LEU CD2 C 13 24.297 0.5 . 1 . . . . 109 LEU CD2 . 16037 1 1407 . 1 1 109 109 LEU CG C 13 28.682 0.5 . 1 . . . . 109 LEU CG . 16037 1 1408 . 1 1 109 109 LEU N N 15 117.297 0.5 . 1 . . . . 109 LEU N . 16037 1 1409 . 1 1 110 110 GLU H H 1 7.817 0.05 . 1 . . . . 110 GLU HN . 16037 1 1410 . 1 1 110 110 GLU HA H 1 3.910 0.05 . 1 . . . . 110 GLU HA . 16037 1 1411 . 1 1 110 110 GLU HB2 H 1 2.068 0.05 . 2 . . . . 110 GLU HB1 . 16037 1 1412 . 1 1 110 110 GLU HB3 H 1 2.150 0.05 . 2 . . . . 110 GLU HB2 . 16037 1 1413 . 1 1 110 110 GLU HG2 H 1 2.253 0.05 . 2 . . . . 110 GLU HG1 . 16037 1 1414 . 1 1 110 110 GLU HG3 H 1 2.406 0.05 . 2 . . . . 110 GLU HG2 . 16037 1 1415 . 1 1 110 110 GLU C C 13 178.943 0.5 . 1 . . . . 110 GLU C . 16037 1 1416 . 1 1 110 110 GLU CA C 13 59.606 0.5 . 1 . . . . 110 GLU CA . 16037 1 1417 . 1 1 110 110 GLU CB C 13 29.534 0.5 . 1 . . . . 110 GLU CB . 16037 1 1418 . 1 1 110 110 GLU CG C 13 36.277 0.5 . 1 . . . . 110 GLU CG . 16037 1 1419 . 1 1 110 110 GLU N N 15 117.183 0.5 . 1 . . . . 110 GLU N . 16037 1 1420 . 1 1 111 111 GLU H H 1 7.616 0.05 . 1 . . . . 111 GLU HN . 16037 1 1421 . 1 1 111 111 GLU HA H 1 4.117 0.05 . 1 . . . . 111 GLU HA . 16037 1 1422 . 1 1 111 111 GLU HB2 H 1 2.081 0.05 . 2 . . . . 111 GLU HB1 . 16037 1 1423 . 1 1 111 111 GLU HB3 H 1 1.933 0.05 . 2 . . . . 111 GLU HB2 . 16037 1 1424 . 1 1 111 111 GLU HG2 H 1 2.321 0.05 . 2 . . . . 111 GLU HG1 . 16037 1 1425 . 1 1 111 111 GLU HG3 H 1 2.138 0.05 . 2 . . . . 111 GLU HG2 . 16037 1 1426 . 1 1 111 111 GLU C C 13 178.342 0.5 . 1 . . . . 111 GLU C . 16037 1 1427 . 1 1 111 111 GLU CA C 13 58.864 0.5 . 1 . . . . 111 GLU CA . 16037 1 1428 . 1 1 111 111 GLU CB C 13 29.192 0.5 . 1 . . . . 111 GLU CB . 16037 1 1429 . 1 1 111 111 GLU CG C 13 35.204 0.5 . 1 . . . . 111 GLU CG . 16037 1 1430 . 1 1 111 111 GLU N N 15 119.218 0.5 . 1 . . . . 111 GLU N . 16037 1 1431 . 1 1 112 112 ILE H H 1 7.834 0.05 . 1 . . . . 112 ILE HN . 16037 1 1432 . 1 1 112 112 ILE HA H 1 3.636 0.05 . 1 . . . . 112 ILE HA . 16037 1 1433 . 1 1 112 112 ILE HB H 1 2.033 0.05 . 1 . . . . 112 ILE HB . 16037 1 1434 . 1 1 112 112 ILE HD11 H 1 1.011 0.05 . 1 . . . . 112 ILE HD11 . 16037 1 1435 . 1 1 112 112 ILE HD12 H 1 1.011 0.05 . 1 . . . . 112 ILE HD11 . 16037 1 1436 . 1 1 112 112 ILE HD13 H 1 1.011 0.05 . 1 . . . . 112 ILE HD11 . 16037 1 1437 . 1 1 112 112 ILE HG12 H 1 1.763 0.05 . 1 . . . . 112 ILE HG11 . 16037 1 1438 . 1 1 112 112 ILE HG13 H 1 1.139 0.05 . 1 . . . . 112 ILE HG12 . 16037 1 1439 . 1 1 112 112 ILE HG21 H 1 0.874 0.05 . 1 . . . . 112 ILE HG21 . 16037 1 1440 . 1 1 112 112 ILE HG22 H 1 0.874 0.05 . 1 . . . . 112 ILE HG21 . 16037 1 1441 . 1 1 112 112 ILE HG23 H 1 0.874 0.05 . 1 . . . . 112 ILE HG21 . 16037 1 1442 . 1 1 112 112 ILE C C 13 178.769 0.5 . 1 . . . . 112 ILE C . 16037 1 1443 . 1 1 112 112 ILE CA C 13 64.124 0.5 . 1 . . . . 112 ILE CA . 16037 1 1444 . 1 1 112 112 ILE CB C 13 37.728 0.5 . 1 . . . . 112 ILE CB . 16037 1 1445 . 1 1 112 112 ILE CD1 C 13 17.794 0.5 . 1 . . . . 112 ILE CD1 . 16037 1 1446 . 1 1 112 112 ILE CG1 C 13 29.866 0.5 . 1 . . . . 112 ILE CG1 . 16037 1 1447 . 1 1 112 112 ILE CG2 C 13 17.677 0.5 . 1 . . . . 112 ILE CG2 . 16037 1 1448 . 1 1 112 112 ILE N N 15 117.569 0.5 . 1 . . . . 112 ILE N . 16037 1 1449 . 1 1 113 113 LEU H H 1 8.177 0.05 . 1 . . . . 113 LEU HN . 16037 1 1450 . 1 1 113 113 LEU HA H 1 4.096 0.05 . 1 . . . . 113 LEU HA . 16037 1 1451 . 1 1 113 113 LEU HB2 H 1 1.498 0.05 . 2 . . . . 113 LEU HB1 . 16037 1 1452 . 1 1 113 113 LEU HB3 H 1 1.855 0.05 . 2 . . . . 113 LEU HB2 . 16037 1 1453 . 1 1 113 113 LEU HD11 H 1 0.664 0.05 . 2 . . . . 113 LEU HD11 . 16037 1 1454 . 1 1 113 113 LEU HD12 H 1 0.664 0.05 . 2 . . . . 113 LEU HD11 . 16037 1 1455 . 1 1 113 113 LEU HD13 H 1 0.664 0.05 . 2 . . . . 113 LEU HD11 . 16037 1 1456 . 1 1 113 113 LEU HD21 H 1 0.802 0.05 . 2 . . . . 113 LEU HD21 . 16037 1 1457 . 1 1 113 113 LEU HD22 H 1 0.802 0.05 . 2 . . . . 113 LEU HD21 . 16037 1 1458 . 1 1 113 113 LEU HD23 H 1 0.802 0.05 . 2 . . . . 113 LEU HD21 . 16037 1 1459 . 1 1 113 113 LEU HG H 1 1.814 0.05 . 1 . . . . 113 LEU HG . 16037 1 1460 . 1 1 113 113 LEU C C 13 179.030 0.5 . 1 . . . . 113 LEU C . 16037 1 1461 . 1 1 113 113 LEU CA C 13 57.243 0.5 . 1 . . . . 113 LEU CA . 16037 1 1462 . 1 1 113 113 LEU CB C 13 41.124 0.5 . 1 . . . . 113 LEU CB . 16037 1 1463 . 1 1 113 113 LEU CD1 C 13 22.819 0.5 . 1 . . . . 113 LEU CD1 . 16037 1 1464 . 1 1 113 113 LEU CD2 C 13 25.718 0.5 . 1 . . . . 113 LEU CD2 . 16037 1 1465 . 1 1 113 113 LEU CG C 13 27.477 0.5 . 1 . . . . 113 LEU CG . 16037 1 1466 . 1 1 113 113 LEU N N 15 119.434 0.5 . 1 . . . . 113 LEU N . 16037 1 1467 . 1 1 114 114 ARG H H 1 7.701 0.05 . 1 . . . . 114 ARG HN . 16037 1 1468 . 1 1 114 114 ARG HA H 1 4.105 0.05 . 1 . . . . 114 ARG HA . 16037 1 1469 . 1 1 114 114 ARG HB2 H 1 1.901 0.05 . 2 . . . . 114 ARG HB1 . 16037 1 1470 . 1 1 114 114 ARG HB3 H 1 1.764 0.05 . 2 . . . . 114 ARG HB2 . 16037 1 1471 . 1 1 114 114 ARG HD2 H 1 3.151 0.05 . 2 . . . . 114 ARG HD1 . 16037 1 1472 . 1 1 114 114 ARG HD3 H 1 3.151 0.05 . 2 . . . . 114 ARG HD2 . 16037 1 1473 . 1 1 114 114 ARG HE H 1 7.393 0.05 . 1 . . . . 114 ARG HE . 16037 1 1474 . 1 1 114 114 ARG HG2 H 1 1.451 0.05 . 2 . . . . 114 ARG HG1 . 16037 1 1475 . 1 1 114 114 ARG HG3 H 1 1.674 0.05 . 2 . . . . 114 ARG HG2 . 16037 1 1476 . 1 1 114 114 ARG C C 13 177.902 0.5 . 1 . . . . 114 ARG C . 16037 1 1477 . 1 1 114 114 ARG CA C 13 58.850 0.5 . 1 . . . . 114 ARG CA . 16037 1 1478 . 1 1 114 114 ARG CB C 13 30.222 0.5 . 1 . . . . 114 ARG CB . 16037 1 1479 . 1 1 114 114 ARG CD C 13 43.540 0.5 . 1 . . . . 114 ARG CD . 16037 1 1480 . 1 1 114 114 ARG CG C 13 27.809 0.5 . 1 . . . . 114 ARG CG . 16037 1 1481 . 1 1 114 114 ARG N N 15 118.922 0.5 . 1 . . . . 114 ARG N . 16037 1 1482 . 1 1 114 114 ARG NE N 15 84.615 0.5 . 1 . . . . 114 ARG NE . 16037 1 1483 . 1 1 115 115 PHE H H 1 7.537 0.05 . 1 . . . . 115 PHE HN . 16037 1 1484 . 1 1 115 115 PHE HA H 1 4.932 0.05 . 1 . . . . 115 PHE HA . 16037 1 1485 . 1 1 115 115 PHE HB2 H 1 3.276 0.05 . 2 . . . . 115 PHE HB1 . 16037 1 1486 . 1 1 115 115 PHE HB3 H 1 3.276 0.05 . 2 . . . . 115 PHE HB2 . 16037 1 1487 . 1 1 115 115 PHE HD1 H 1 7.367 0.05 . 3 . . . . 115 PHE HD1 . 16037 1 1488 . 1 1 115 115 PHE HD2 H 1 7.367 0.05 . 3 . . . . 115 PHE HD2 . 16037 1 1489 . 1 1 115 115 PHE HE1 H 1 7.319 0.05 . 3 . . . . 115 PHE HE1 . 16037 1 1490 . 1 1 115 115 PHE HE2 H 1 7.319 0.05 . 3 . . . . 115 PHE HE2 . 16037 1 1491 . 1 1 115 115 PHE HZ H 1 7.222 0.05 . 1 . . . . 115 PHE HZ . 16037 1 1492 . 1 1 115 115 PHE C C 13 175.547 0.5 . 1 . . . . 115 PHE C . 16037 1 1493 . 1 1 115 115 PHE CA C 13 57.178 0.5 . 1 . . . . 115 PHE CA . 16037 1 1494 . 1 1 115 115 PHE CB C 13 39.288 0.5 . 1 . . . . 115 PHE CB . 16037 1 1495 . 1 1 115 115 PHE CD1 C 13 132.000 0.5 . 3 . . . . 115 PHE CD1 . 16037 1 1496 . 1 1 115 115 PHE CD2 C 13 132.200 0.5 . 3 . . . . 115 PHE CD2 . 16037 1 1497 . 1 1 115 115 PHE CE1 C 13 130.735 0.5 . 3 . . . . 115 PHE CE1 . 16037 1 1498 . 1 1 115 115 PHE CE2 C 13 130.735 0.5 . 3 . . . . 115 PHE CE2 . 16037 1 1499 . 1 1 115 115 PHE CZ C 13 128.967 0.5 . 1 . . . . 115 PHE CZ . 16037 1 1500 . 1 1 115 115 PHE N N 15 115.058 0.5 . 1 . . . . 115 PHE N . 16037 1 1501 . 1 1 116 116 SER H H 1 7.678 0.05 . 1 . . . . 116 SER HN . 16037 1 1502 . 1 1 116 116 SER HA H 1 4.751 0.05 . 1 . . . . 116 SER HA . 16037 1 1503 . 1 1 116 116 SER HB2 H 1 3.481 0.05 . 2 . . . . 116 SER HB1 . 16037 1 1504 . 1 1 116 116 SER HB3 H 1 3.481 0.05 . 2 . . . . 116 SER HB2 . 16037 1 1505 . 1 1 116 116 SER C C 13 174.194 0.5 . 1 . . . . 116 SER C . 16037 1 1506 . 1 1 116 116 SER CA C 13 58.422 0.5 . 1 . . . . 116 SER CA . 16037 1 1507 . 1 1 116 116 SER CB C 13 65.358 0.5 . 1 . . . . 116 SER CB . 16037 1 1508 . 1 1 116 116 SER N N 15 116.094 0.5 . 1 . . . . 116 SER N . 16037 1 1509 . 1 1 117 117 THR H H 1 8.387 0.05 . 1 . . . . 117 THR HN . 16037 1 1510 . 1 1 117 117 THR HA H 1 4.408 0.05 . 1 . . . . 117 THR HA . 16037 1 1511 . 1 1 117 117 THR HB H 1 4.251 0.05 . 1 . . . . 117 THR HB . 16037 1 1512 . 1 1 117 117 THR HG21 H 1 1.060 0.05 . 1 . . . . 117 THR HG21 . 16037 1 1513 . 1 1 117 117 THR HG22 H 1 1.060 0.05 . 1 . . . . 117 THR HG21 . 16037 1 1514 . 1 1 117 117 THR HG23 H 1 1.060 0.05 . 1 . . . . 117 THR HG21 . 16037 1 1515 . 1 1 117 117 THR C C 13 176.672 0.5 . 1 . . . . 117 THR C . 16037 1 1516 . 1 1 117 117 THR CA C 13 61.074 0.5 . 1 . . . . 117 THR CA . 16037 1 1517 . 1 1 117 117 THR CB C 13 69.160 0.5 . 1 . . . . 117 THR CB . 16037 1 1518 . 1 1 117 117 THR CG2 C 13 21.595 0.5 . 1 . . . . 117 THR CG2 . 16037 1 1519 . 1 1 117 117 THR N N 15 113.457 0.5 . 1 . . . . 117 THR N . 16037 1 1520 . 1 1 118 118 PHE H H 1 8.246 0.05 . 1 . . . . 118 PHE HN . 16037 1 1521 . 1 1 118 118 PHE HA H 1 4.407 0.05 . 1 . . . . 118 PHE HA . 16037 1 1522 . 1 1 118 118 PHE HB2 H 1 2.858 0.05 . 2 . . . . 118 PHE HB1 . 16037 1 1523 . 1 1 118 118 PHE HB3 H 1 3.037 0.05 . 2 . . . . 118 PHE HB2 . 16037 1 1524 . 1 1 118 118 PHE HD1 H 1 7.230 0.05 . 3 . . . . 118 PHE HD1 . 16037 1 1525 . 1 1 118 118 PHE HD2 H 1 7.227 0.05 . 3 . . . . 118 PHE HD2 . 16037 1 1526 . 1 1 118 118 PHE HE1 H 1 7.130 0.05 . 3 . . . . 118 PHE HE1 . 16037 1 1527 . 1 1 118 118 PHE HE2 H 1 7.130 0.05 . 3 . . . . 118 PHE HE2 . 16037 1 1528 . 1 1 118 118 PHE HZ H 1 6.928 0.05 . 1 . . . . 118 PHE HZ . 16037 1 1529 . 1 1 118 118 PHE C C 13 176.400 0.5 . 1 . . . . 118 PHE C . 16037 1 1530 . 1 1 118 118 PHE CA C 13 59.121 0.5 . 1 . . . . 118 PHE CA . 16037 1 1531 . 1 1 118 118 PHE CB C 13 39.564 0.5 . 1 . . . . 118 PHE CB . 16037 1 1532 . 1 1 118 118 PHE CD1 C 13 131.481 0.5 . 3 . . . . 118 PHE CD1 . 16037 1 1533 . 1 1 118 118 PHE CD2 C 13 131.481 0.5 . 3 . . . . 118 PHE CD2 . 16037 1 1534 . 1 1 118 118 PHE N N 15 121.352 0.5 . 1 . . . . 118 PHE N . 16037 1 1535 . 1 1 119 119 GLY H H 1 8.284 0.05 . 1 . . . . 119 GLY HN . 16037 1 1536 . 1 1 119 119 GLY HA2 H 1 3.728 0.05 . 2 . . . . 119 GLY HA1 . 16037 1 1537 . 1 1 119 119 GLY HA3 H 1 3.728 0.05 . 2 . . . . 119 GLY HA2 . 16037 1 1538 . 1 1 119 119 GLY C C 13 174.512 0.5 . 1 . . . . 119 GLY C . 16037 1 1539 . 1 1 119 119 GLY CA C 13 45.635 0.5 . 1 . . . . 119 GLY CA . 16037 1 1540 . 1 1 119 119 GLY N N 15 108.617 0.5 . 1 . . . . 119 GLY N . 16037 1 1541 . 1 1 120 120 VAL H H 1 7.748 0.05 . 1 . . . . 120 VAL HN . 16037 1 1542 . 1 1 120 120 VAL HA H 1 4.164 0.05 . 1 . . . . 120 VAL HA . 16037 1 1543 . 1 1 120 120 VAL HB H 1 2.129 0.05 . 1 . . . . 120 VAL HB . 16037 1 1544 . 1 1 120 120 VAL HG11 H 1 0.825 0.05 . 2 . . . . 120 VAL HG11 . 16037 1 1545 . 1 1 120 120 VAL HG12 H 1 0.825 0.05 . 2 . . . . 120 VAL HG11 . 16037 1 1546 . 1 1 120 120 VAL HG13 H 1 0.825 0.05 . 2 . . . . 120 VAL HG11 . 16037 1 1547 . 1 1 120 120 VAL HG21 H 1 0.814 0.05 . 2 . . . . 120 VAL HG21 . 16037 1 1548 . 1 1 120 120 VAL HG22 H 1 0.814 0.05 . 2 . . . . 120 VAL HG21 . 16037 1 1549 . 1 1 120 120 VAL HG23 H 1 0.814 0.05 . 2 . . . . 120 VAL HG21 . 16037 1 1550 . 1 1 120 120 VAL C C 13 176.264 0.5 . 1 . . . . 120 VAL C . 16037 1 1551 . 1 1 120 120 VAL CA C 13 62.192 0.5 . 1 . . . . 120 VAL CA . 16037 1 1552 . 1 1 120 120 VAL CB C 13 32.445 0.5 . 1 . . . . 120 VAL CB . 16037 1 1553 . 1 1 120 120 VAL CG1 C 13 19.863 0.5 . 1 . . . . 120 VAL CG1 . 16037 1 1554 . 1 1 120 120 VAL CG2 C 13 20.255 0.5 . 1 . . . . 120 VAL CG2 . 16037 1 1555 . 1 1 120 120 VAL N N 15 116.802 0.5 . 1 . . . . 120 VAL N . 16037 1 1556 . 1 1 121 121 THR H H 1 7.919 0.05 . 1 . . . . 121 THR HN . 16037 1 1557 . 1 1 121 121 THR HA H 1 4.264 0.05 . 1 . . . . 121 THR HA . 16037 1 1558 . 1 1 121 121 THR HB H 1 4.206 0.05 . 1 . . . . 121 THR HB . 16037 1 1559 . 1 1 121 121 THR HG21 H 1 1.158 0.05 . 1 . . . . 121 THR HG21 . 16037 1 1560 . 1 1 121 121 THR HG22 H 1 1.158 0.05 . 1 . . . . 121 THR HG21 . 16037 1 1561 . 1 1 121 121 THR HG23 H 1 1.158 0.05 . 1 . . . . 121 THR HG21 . 16037 1 1562 . 1 1 121 121 THR C C 13 174.075 0.5 . 1 . . . . 121 THR C . 16037 1 1563 . 1 1 121 121 THR CA C 13 62.235 0.5 . 1 . . . . 121 THR CA . 16037 1 1564 . 1 1 121 121 THR CB C 13 69.473 0.5 . 1 . . . . 121 THR CB . 16037 1 1565 . 1 1 121 121 THR CG2 C 13 21.825 0.5 . 1 . . . . 121 THR CG2 . 16037 1 1566 . 1 1 121 121 THR N N 15 115.098 0.5 . 1 . . . . 121 THR N . 16037 1 1567 . 1 1 122 122 GLU H H 1 8.058 0.05 . 1 . . . . 122 GLU HN . 16037 1 1568 . 1 1 122 122 GLU HA H 1 4.511 0.05 . 1 . . . . 122 GLU HA . 16037 1 1569 . 1 1 122 122 GLU HB2 H 1 1.910 0.05 . 2 . . . . 122 GLU HB1 . 16037 1 1570 . 1 1 122 122 GLU HB3 H 1 2.006 0.05 . 2 . . . . 122 GLU HB2 . 16037 1 1571 . 1 1 122 122 GLU HG2 H 1 2.215 0.05 . 2 . . . . 122 GLU HG1 . 16037 1 1572 . 1 1 122 122 GLU HG3 H 1 2.215 0.05 . 2 . . . . 122 GLU HG2 . 16037 1 1573 . 1 1 122 122 GLU CA C 13 54.305 0.5 . 1 . . . . 122 GLU CA . 16037 1 1574 . 1 1 122 122 GLU CB C 13 30.170 0.5 . 1 . . . . 122 GLU CB . 16037 1 1575 . 1 1 122 122 GLU CG C 13 36.014 0.5 . 1 . . . . 122 GLU CG . 16037 1 1576 . 1 1 122 122 GLU N N 15 123.077 0.5 . 1 . . . . 122 GLU N . 16037 1 1577 . 1 1 123 123 PRO HA H 1 3.990 0.05 . 1 . . . . 123 PRO HA . 16037 1 1578 . 1 1 123 123 PRO HB2 H 1 1.418 0.05 . 2 . . . . 123 PRO HB1 . 16037 1 1579 . 1 1 123 123 PRO HB3 H 1 1.418 0.05 . 2 . . . . 123 PRO HB2 . 16037 1 1580 . 1 1 123 123 PRO HD2 H 1 3.457 0.05 . 2 . . . . 123 PRO HD1 . 16037 1 1581 . 1 1 123 123 PRO HD3 H 1 3.599 0.05 . 2 . . . . 123 PRO HD2 . 16037 1 1582 . 1 1 123 123 PRO HG2 H 1 1.619 0.05 . 2 . . . . 123 PRO HG1 . 16037 1 1583 . 1 1 123 123 PRO HG3 H 1 1.420 0.05 . 2 . . . . 123 PRO HG2 . 16037 1 1584 . 1 1 123 123 PRO C C 13 177.060 0.5 . 1 . . . . 123 PRO C . 16037 1 1585 . 1 1 123 123 PRO CA C 13 64.632 0.5 . 1 . . . . 123 PRO CA . 16037 1 1586 . 1 1 123 123 PRO CB C 13 30.997 0.5 . 1 . . . . 123 PRO CB . 16037 1 1587 . 1 1 123 123 PRO CD C 13 50.558 0.5 . 1 . . . . 123 PRO CD . 16037 1 1588 . 1 1 123 123 PRO CG C 13 27.053 0.5 . 1 . . . . 123 PRO CG . 16037 1 1589 . 1 1 124 124 VAL H H 1 7.730 0.05 . 1 . . . . 124 VAL HN . 16037 1 1590 . 1 1 124 124 VAL HA H 1 3.872 0.05 . 1 . . . . 124 VAL HA . 16037 1 1591 . 1 1 124 124 VAL HB H 1 2.114 0.05 . 1 . . . . 124 VAL HB . 16037 1 1592 . 1 1 124 124 VAL HG11 H 1 0.897 0.05 . 2 . . . . 124 VAL HG11 . 16037 1 1593 . 1 1 124 124 VAL HG12 H 1 0.897 0.05 . 2 . . . . 124 VAL HG11 . 16037 1 1594 . 1 1 124 124 VAL HG13 H 1 0.897 0.05 . 2 . . . . 124 VAL HG11 . 16037 1 1595 . 1 1 124 124 VAL HG21 H 1 0.917 0.05 . 2 . . . . 124 VAL HG21 . 16037 1 1596 . 1 1 124 124 VAL HG22 H 1 0.917 0.05 . 2 . . . . 124 VAL HG21 . 16037 1 1597 . 1 1 124 124 VAL HG23 H 1 0.917 0.05 . 2 . . . . 124 VAL HG21 . 16037 1 1598 . 1 1 124 124 VAL C C 13 175.898 0.5 . 1 . . . . 124 VAL C . 16037 1 1599 . 1 1 124 124 VAL CA C 13 63.965 0.5 . 1 . . . . 124 VAL CA . 16037 1 1600 . 1 1 124 124 VAL CB C 13 31.722 0.5 . 1 . . . . 124 VAL CB . 16037 1 1601 . 1 1 124 124 VAL CG1 C 13 20.991 0.5 . 1 . . . . 124 VAL CG1 . 16037 1 1602 . 1 1 124 124 VAL CG2 C 13 20.691 0.5 . 1 . . . . 124 VAL CG2 . 16037 1 1603 . 1 1 124 124 VAL N N 15 114.469 0.5 . 1 . . . . 124 VAL N . 16037 1 1604 . 1 1 125 125 ASN H H 1 8.018 0.05 . 1 . . . . 125 ASN HN . 16037 1 1605 . 1 1 125 125 ASN HA H 1 4.747 0.05 . 1 . . . . 125 ASN HA . 16037 1 1606 . 1 1 125 125 ASN HB2 H 1 2.738 0.05 . 2 . . . . 125 ASN HB1 . 16037 1 1607 . 1 1 125 125 ASN HB3 H 1 2.987 0.05 . 2 . . . . 125 ASN HB2 . 16037 1 1608 . 1 1 125 125 ASN HD21 H 1 7.672 0.05 . 2 . . . . 125 ASN HD21 . 16037 1 1609 . 1 1 125 125 ASN HD22 H 1 6.989 0.05 . 2 . . . . 125 ASN HD22 . 16037 1 1610 . 1 1 125 125 ASN C C 13 174.821 0.5 . 1 . . . . 125 ASN C . 16037 1 1611 . 1 1 125 125 ASN CA C 13 53.709 0.5 . 1 . . . . 125 ASN CA . 16037 1 1612 . 1 1 125 125 ASN CB C 13 39.098 0.5 . 1 . . . . 125 ASN CB . 16037 1 1613 . 1 1 125 125 ASN CG C 13 176.747 0.5 . 1 . . . . 125 ASN CG . 16037 1 1614 . 1 1 125 125 ASN N N 15 118.567 0.5 . 1 . . . . 125 ASN N . 16037 1 1615 . 1 1 125 125 ASN ND2 N 15 113.066 0.5 . 1 . . . . 125 ASN ND2 . 16037 1 1616 . 1 1 126 126 ASP H H 1 8.016 0.05 . 1 . . . . 126 ASP HN . 16037 1 1617 . 1 1 126 126 ASP HA H 1 4.712 0.05 . 1 . . . . 126 ASP HA . 16037 1 1618 . 1 1 126 126 ASP HB2 H 1 2.656 0.05 . 2 . . . . 126 ASP HB1 . 16037 1 1619 . 1 1 126 126 ASP HB3 H 1 3.019 0.05 . 2 . . . . 126 ASP HB2 . 16037 1 1620 . 1 1 126 126 ASP C C 13 178.234 0.5 . 1 . . . . 126 ASP C . 16037 1 1621 . 1 1 126 126 ASP CA C 13 54.861 0.5 . 1 . . . . 126 ASP CA . 16037 1 1622 . 1 1 126 126 ASP CB C 13 43.352 0.5 . 1 . . . . 126 ASP CB . 16037 1 1623 . 1 1 126 126 ASP N N 15 122.166 0.5 . 1 . . . . 126 ASP N . 16037 1 1624 . 1 1 127 127 ARG H H 1 8.678 0.05 . 1 . . . . 127 ARG HN . 16037 1 1625 . 1 1 127 127 ARG HA H 1 4.570 0.05 . 1 . . . . 127 ARG HA . 16037 1 1626 . 1 1 127 127 ARG HD2 H 1 3.274 0.05 . 2 . . . . 127 ARG HD1 . 16037 1 1627 . 1 1 127 127 ARG HD3 H 1 3.274 0.05 . 2 . . . . 127 ARG HD2 . 16037 1 1628 . 1 1 127 127 ARG HG2 H 1 1.815 0.05 . 2 . . . . 127 ARG HG1 . 16037 1 1629 . 1 1 127 127 ARG HG3 H 1 1.815 0.05 . 2 . . . . 127 ARG HG2 . 16037 1 1630 . 1 1 127 127 ARG CG C 13 27.779 0.5 . 1 . . . . 127 ARG CG . 16037 1 1631 . 1 1 127 127 ARG N N 15 122.382 0.5 . 1 . . . . 127 ARG N . 16037 1 1632 . 1 1 128 128 MET H H 1 8.486 0.05 . 1 . . . . 128 MET HN . 16037 1 1633 . 1 1 128 128 MET HA H 1 3.918 0.05 . 1 . . . . 128 MET HA . 16037 1 1634 . 1 1 128 128 MET HB2 H 1 2.178 0.05 . 2 . . . . 128 MET HB1 . 16037 1 1635 . 1 1 128 128 MET HB3 H 1 2.410 0.05 . 2 . . . . 128 MET HB2 . 16037 1 1636 . 1 1 128 128 MET HE1 H 1 2.097 0.05 . 1 . . . . 128 MET HE1 . 16037 1 1637 . 1 1 128 128 MET HE2 H 1 2.097 0.05 . 1 . . . . 128 MET HE1 . 16037 1 1638 . 1 1 128 128 MET HE3 H 1 2.097 0.05 . 1 . . . . 128 MET HE1 . 16037 1 1639 . 1 1 128 128 MET HG2 H 1 2.587 0.05 . 2 . . . . 128 MET HG1 . 16037 1 1640 . 1 1 128 128 MET HG3 H 1 2.420 0.05 . 2 . . . . 128 MET HG2 . 16037 1 1641 . 1 1 128 128 MET C C 13 177.785 0.5 . 1 . . . . 128 MET C . 16037 1 1642 . 1 1 128 128 MET CA C 13 59.686 0.5 . 1 . . . . 128 MET CA . 16037 1 1643 . 1 1 128 128 MET CB C 13 32.270 0.5 . 1 . . . . 128 MET CB . 16037 1 1644 . 1 1 128 128 MET CE C 13 17.708 0.5 . 1 . . . . 128 MET CE . 16037 1 1645 . 1 1 128 128 MET CG C 13 31.488 0.5 . 1 . . . . 128 MET CG . 16037 1 1646 . 1 1 128 128 MET N N 15 118.235 0.5 . 1 . . . . 128 MET N . 16037 1 1647 . 1 1 129 129 PHE H H 1 8.705 0.05 . 1 . . . . 129 PHE HN . 16037 1 1648 . 1 1 129 129 PHE HA H 1 4.000 0.05 . 1 . . . . 129 PHE HA . 16037 1 1649 . 1 1 129 129 PHE HB2 H 1 2.979 0.05 . 2 . . . . 129 PHE HB1 . 16037 1 1650 . 1 1 129 129 PHE HB3 H 1 3.297 0.05 . 2 . . . . 129 PHE HB2 . 16037 1 1651 . 1 1 129 129 PHE HD1 H 1 6.914 0.05 . 3 . . . . 129 PHE HD1 . 16037 1 1652 . 1 1 129 129 PHE HD2 H 1 6.914 0.05 . 3 . . . . 129 PHE HD2 . 16037 1 1653 . 1 1 129 129 PHE HE1 H 1 7.125 0.05 . 3 . . . . 129 PHE HE1 . 16037 1 1654 . 1 1 129 129 PHE HE2 H 1 7.125 0.05 . 3 . . . . 129 PHE HE2 . 16037 1 1655 . 1 1 129 129 PHE HZ H 1 7.119 0.05 . 1 . . . . 129 PHE HZ . 16037 1 1656 . 1 1 129 129 PHE C C 13 178.597 0.5 . 1 . . . . 129 PHE C . 16037 1 1657 . 1 1 129 129 PHE CA C 13 62.579 0.5 . 1 . . . . 129 PHE CA . 16037 1 1658 . 1 1 129 129 PHE CB C 13 39.023 0.5 . 1 . . . . 129 PHE CB . 16037 1 1659 . 1 1 129 129 PHE CD1 C 13 131.237 0.5 . 3 . . . . 129 PHE CD1 . 16037 1 1660 . 1 1 129 129 PHE CD2 C 13 131.237 0.5 . 3 . . . . 129 PHE CD2 . 16037 1 1661 . 1 1 129 129 PHE CE1 C 13 130.363 0.5 . 3 . . . . 129 PHE CE1 . 16037 1 1662 . 1 1 129 129 PHE CE2 C 13 130.363 0.5 . 3 . . . . 129 PHE CE2 . 16037 1 1663 . 1 1 129 129 PHE CZ C 13 128.970 0.5 . 1 . . . . 129 PHE CZ . 16037 1 1664 . 1 1 129 129 PHE N N 15 120.091 0.5 . 1 . . . . 129 PHE N . 16037 1 1665 . 1 1 130 130 ARG H H 1 8.532 0.05 . 1 . . . . 130 ARG HN . 16037 1 1666 . 1 1 130 130 ARG HA H 1 3.960 0.05 . 1 . . . . 130 ARG HA . 16037 1 1667 . 1 1 130 130 ARG HB2 H 1 1.916 0.05 . 2 . . . . 130 ARG HB1 . 16037 1 1668 . 1 1 130 130 ARG HB3 H 1 2.048 0.05 . 2 . . . . 130 ARG HB2 . 16037 1 1669 . 1 1 130 130 ARG HD2 H 1 3.305 0.05 . 2 . . . . 130 ARG HD1 . 16037 1 1670 . 1 1 130 130 ARG HD3 H 1 3.247 0.05 . 2 . . . . 130 ARG HD2 . 16037 1 1671 . 1 1 130 130 ARG HG2 H 1 1.698 0.05 . 2 . . . . 130 ARG HG1 . 16037 1 1672 . 1 1 130 130 ARG HG3 H 1 1.936 0.05 . 2 . . . . 130 ARG HG2 . 16037 1 1673 . 1 1 130 130 ARG C C 13 179.557 0.5 . 1 . . . . 130 ARG C . 16037 1 1674 . 1 1 130 130 ARG CA C 13 60.073 0.5 . 1 . . . . 130 ARG CA . 16037 1 1675 . 1 1 130 130 ARG CB C 13 30.128 0.5 . 1 . . . . 130 ARG CB . 16037 1 1676 . 1 1 130 130 ARG CD C 13 43.643 0.5 . 1 . . . . 130 ARG CD . 16037 1 1677 . 1 1 130 130 ARG CG C 13 27.979 0.5 . 1 . . . . 130 ARG CG . 16037 1 1678 . 1 1 130 130 ARG N N 15 120.758 0.5 . 1 . . . . 130 ARG N . 16037 1 1679 . 1 1 131 131 LEU H H 1 7.956 0.05 . 1 . . . . 131 LEU HN . 16037 1 1680 . 1 1 131 131 LEU HA H 1 4.172 0.05 . 1 . . . . 131 LEU HA . 16037 1 1681 . 1 1 131 131 LEU HB2 H 1 1.606 0.05 . 2 . . . . 131 LEU HB1 . 16037 1 1682 . 1 1 131 131 LEU HB3 H 1 2.146 0.05 . 2 . . . . 131 LEU HB2 . 16037 1 1683 . 1 1 131 131 LEU HD11 H 1 0.903 0.05 . 2 . . . . 131 LEU HD11 . 16037 1 1684 . 1 1 131 131 LEU HD12 H 1 0.903 0.05 . 2 . . . . 131 LEU HD11 . 16037 1 1685 . 1 1 131 131 LEU HD13 H 1 0.903 0.05 . 2 . . . . 131 LEU HD11 . 16037 1 1686 . 1 1 131 131 LEU HD21 H 1 0.998 0.05 . 2 . . . . 131 LEU HD21 . 16037 1 1687 . 1 1 131 131 LEU HD22 H 1 0.998 0.05 . 2 . . . . 131 LEU HD21 . 16037 1 1688 . 1 1 131 131 LEU HD23 H 1 0.998 0.05 . 2 . . . . 131 LEU HD21 . 16037 1 1689 . 1 1 131 131 LEU HG H 1 1.954 0.05 . 1 . . . . 131 LEU HG . 16037 1 1690 . 1 1 131 131 LEU C C 13 179.224 0.5 . 1 . . . . 131 LEU C . 16037 1 1691 . 1 1 131 131 LEU CA C 13 58.197 0.5 . 1 . . . . 131 LEU CA . 16037 1 1692 . 1 1 131 131 LEU CB C 13 42.456 0.5 . 1 . . . . 131 LEU CB . 16037 1 1693 . 1 1 131 131 LEU CD1 C 13 27.190 0.5 . 1 . . . . 131 LEU CD1 . 16037 1 1694 . 1 1 131 131 LEU CD2 C 13 24.076 0.5 . 1 . . . . 131 LEU CD2 . 16037 1 1695 . 1 1 131 131 LEU CG C 13 27.437 0.5 . 1 . . . . 131 LEU CG . 16037 1 1696 . 1 1 131 131 LEU N N 15 120.702 0.5 . 1 . . . . 131 LEU N . 16037 1 1697 . 1 1 132 132 LEU H H 1 8.392 0.05 . 1 . . . . 132 LEU HN . 16037 1 1698 . 1 1 132 132 LEU HA H 1 3.359 0.05 . 1 . . . . 132 LEU HA . 16037 1 1699 . 1 1 132 132 LEU HB2 H 1 1.303 0.05 . 2 . . . . 132 LEU HB1 . 16037 1 1700 . 1 1 132 132 LEU HB3 H 1 1.690 0.05 . 2 . . . . 132 LEU HB2 . 16037 1 1701 . 1 1 132 132 LEU HD11 H 1 0.745 0.05 . 2 . . . . 132 LEU HD11 . 16037 1 1702 . 1 1 132 132 LEU HD12 H 1 0.745 0.05 . 2 . . . . 132 LEU HD11 . 16037 1 1703 . 1 1 132 132 LEU HD13 H 1 0.745 0.05 . 2 . . . . 132 LEU HD11 . 16037 1 1704 . 1 1 132 132 LEU HD21 H 1 0.825 0.05 . 2 . . . . 132 LEU HD21 . 16037 1 1705 . 1 1 132 132 LEU HD22 H 1 0.825 0.05 . 2 . . . . 132 LEU HD21 . 16037 1 1706 . 1 1 132 132 LEU HD23 H 1 0.825 0.05 . 2 . . . . 132 LEU HD21 . 16037 1 1707 . 1 1 132 132 LEU HG H 1 1.611 0.05 . 1 . . . . 132 LEU HG . 16037 1 1708 . 1 1 132 132 LEU C C 13 178.002 0.5 . 1 . . . . 132 LEU C . 16037 1 1709 . 1 1 132 132 LEU CA C 13 58.338 0.5 . 1 . . . . 132 LEU CA . 16037 1 1710 . 1 1 132 132 LEU CB C 13 42.989 0.5 . 1 . . . . 132 LEU CB . 16037 1 1711 . 1 1 132 132 LEU CD1 C 13 26.755 0.5 . 1 . . . . 132 LEU CD1 . 16037 1 1712 . 1 1 132 132 LEU CD2 C 13 26.693 0.5 . 1 . . . . 132 LEU CD2 . 16037 1 1713 . 1 1 132 132 LEU CG C 13 26.278 0.5 . 1 . . . . 132 LEU CG . 16037 1 1714 . 1 1 132 132 LEU N N 15 120.902 0.5 . 1 . . . . 132 LEU N . 16037 1 1715 . 1 1 133 133 SER H H 1 8.332 0.05 . 1 . . . . 133 SER HN . 16037 1 1716 . 1 1 133 133 SER HA H 1 3.680 0.05 . 1 . . . . 133 SER HA . 16037 1 1717 . 1 1 133 133 SER HB2 H 1 3.492 0.05 . 2 . . . . 133 SER HB1 . 16037 1 1718 . 1 1 133 133 SER HB3 H 1 3.492 0.05 . 2 . . . . 133 SER HB2 . 16037 1 1719 . 1 1 133 133 SER C C 13 176.212 0.5 . 1 . . . . 133 SER C . 16037 1 1720 . 1 1 133 133 SER CA C 13 62.230 0.5 . 1 . . . . 133 SER CA . 16037 1 1721 . 1 1 133 133 SER CB C 13 62.230 0.5 . 1 . . . . 133 SER CB . 16037 1 1722 . 1 1 133 133 SER N N 15 113.539 0.5 . 1 . . . . 133 SER N . 16037 1 1723 . 1 1 134 134 ALA H H 1 7.649 0.05 . 1 . . . . 134 ALA HN . 16037 1 1724 . 1 1 134 134 ALA HA H 1 4.135 0.05 . 1 . . . . 134 ALA HA . 16037 1 1725 . 1 1 134 134 ALA HB1 H 1 1.519 0.05 . 1 . . . . 134 ALA HB1 . 16037 1 1726 . 1 1 134 134 ALA HB2 H 1 1.519 0.05 . 1 . . . . 134 ALA HB1 . 16037 1 1727 . 1 1 134 134 ALA HB3 H 1 1.519 0.05 . 1 . . . . 134 ALA HB1 . 16037 1 1728 . 1 1 134 134 ALA C C 13 179.223 0.5 . 1 . . . . 134 ALA C . 16037 1 1729 . 1 1 134 134 ALA CA C 13 54.844 0.5 . 1 . . . . 134 ALA CA . 16037 1 1730 . 1 1 134 134 ALA CB C 13 18.254 0.5 . 1 . . . . 134 ALA CB . 16037 1 1731 . 1 1 134 134 ALA N N 15 123.732 0.5 . 1 . . . . 134 ALA N . 16037 1 1732 . 1 1 135 135 PHE H H 1 7.584 0.05 . 1 . . . . 135 PHE HN . 16037 1 1733 . 1 1 135 135 PHE HA H 1 4.028 0.05 . 1 . . . . 135 PHE HA . 16037 1 1734 . 1 1 135 135 PHE HB2 H 1 2.264 0.05 . 2 . . . . 135 PHE HB1 . 16037 1 1735 . 1 1 135 135 PHE HB3 H 1 2.613 0.05 . 2 . . . . 135 PHE HB2 . 16037 1 1736 . 1 1 135 135 PHE HD1 H 1 6.900 0.05 . 3 . . . . 135 PHE HD1 . 16037 1 1737 . 1 1 135 135 PHE HD2 H 1 6.900 0.05 . 3 . . . . 135 PHE HD2 . 16037 1 1738 . 1 1 135 135 PHE HE1 H 1 7.060 0.05 . 3 . . . . 135 PHE HE1 . 16037 1 1739 . 1 1 135 135 PHE HE2 H 1 7.040 0.05 . 3 . . . . 135 PHE HE2 . 16037 1 1740 . 1 1 135 135 PHE HZ H 1 7.015 0.05 . 1 . . . . 135 PHE HZ . 16037 1 1741 . 1 1 135 135 PHE C C 13 177.962 0.5 . 1 . . . . 135 PHE C . 16037 1 1742 . 1 1 135 135 PHE CA C 13 61.585 0.5 . 1 . . . . 135 PHE CA . 16037 1 1743 . 1 1 135 135 PHE CB C 13 38.806 0.5 . 1 . . . . 135 PHE CB . 16037 1 1744 . 1 1 135 135 PHE CD1 C 13 131.654 0.5 . 3 . . . . 135 PHE CD1 . 16037 1 1745 . 1 1 135 135 PHE CD2 C 13 131.854 0.5 . 3 . . . . 135 PHE CD2 . 16037 1 1746 . 1 1 135 135 PHE CE1 C 13 130.587 0.5 . 3 . . . . 135 PHE CE1 . 16037 1 1747 . 1 1 135 135 PHE CE2 C 13 130.587 0.5 . 3 . . . . 135 PHE CE2 . 16037 1 1748 . 1 1 135 135 PHE CZ C 13 129.243 0.5 . 1 . . . . 135 PHE CZ . 16037 1 1749 . 1 1 135 135 PHE N N 15 118.873 0.5 . 1 . . . . 135 PHE N . 16037 1 1750 . 1 1 136 136 ILE H H 1 7.755 0.05 . 1 . . . . 136 ILE HN . 16037 1 1751 . 1 1 136 136 ILE HA H 1 3.350 0.05 . 1 . . . . 136 ILE HA . 16037 1 1752 . 1 1 136 136 ILE HB H 1 1.732 0.05 . 1 . . . . 136 ILE HB . 16037 1 1753 . 1 1 136 136 ILE HD11 H 1 0.600 0.05 . 1 . . . . 136 ILE HD11 . 16037 1 1754 . 1 1 136 136 ILE HD12 H 1 0.600 0.05 . 1 . . . . 136 ILE HD11 . 16037 1 1755 . 1 1 136 136 ILE HD13 H 1 0.600 0.05 . 1 . . . . 136 ILE HD11 . 16037 1 1756 . 1 1 136 136 ILE HG12 H 1 1.790 0.05 . 1 . . . . 136 ILE HG11 . 16037 1 1757 . 1 1 136 136 ILE HG13 H 1 0.880 0.05 . 1 . . . . 136 ILE HG12 . 16037 1 1758 . 1 1 136 136 ILE HG21 H 1 0.863 0.05 . 1 . . . . 136 ILE HG21 . 16037 1 1759 . 1 1 136 136 ILE HG22 H 1 0.863 0.05 . 1 . . . . 136 ILE HG21 . 16037 1 1760 . 1 1 136 136 ILE HG23 H 1 0.863 0.05 . 1 . . . . 136 ILE HG21 . 16037 1 1761 . 1 1 136 136 ILE C C 13 177.316 0.5 . 1 . . . . 136 ILE C . 16037 1 1762 . 1 1 136 136 ILE CA C 13 64.885 0.5 . 1 . . . . 136 ILE CA . 16037 1 1763 . 1 1 136 136 ILE CB C 13 38.785 0.5 . 1 . . . . 136 ILE CB . 16037 1 1764 . 1 1 136 136 ILE CD1 C 13 14.190 0.5 . 1 . . . . 136 ILE CD1 . 16037 1 1765 . 1 1 136 136 ILE CG1 C 13 29.686 0.5 . 1 . . . . 136 ILE CG1 . 16037 1 1766 . 1 1 136 136 ILE CG2 C 13 17.872 0.5 . 1 . . . . 136 ILE CG2 . 16037 1 1767 . 1 1 136 136 ILE N N 15 117.950 0.5 . 1 . . . . 136 ILE N . 16037 1 1768 . 1 1 137 137 ALA H H 1 8.081 0.05 . 1 . . . . 137 ALA HN . 16037 1 1769 . 1 1 137 137 ALA HA H 1 4.097 0.05 . 1 . . . . 137 ALA HA . 16037 1 1770 . 1 1 137 137 ALA HB1 H 1 1.376 0.05 . 1 . . . . 137 ALA HB1 . 16037 1 1771 . 1 1 137 137 ALA HB2 H 1 1.376 0.05 . 1 . . . . 137 ALA HB1 . 16037 1 1772 . 1 1 137 137 ALA HB3 H 1 1.376 0.05 . 1 . . . . 137 ALA HB1 . 16037 1 1773 . 1 1 137 137 ALA C C 13 179.022 0.5 . 1 . . . . 137 ALA C . 16037 1 1774 . 1 1 137 137 ALA CA C 13 54.364 0.5 . 1 . . . . 137 ALA CA . 16037 1 1775 . 1 1 137 137 ALA CB C 13 18.807 0.5 . 1 . . . . 137 ALA CB . 16037 1 1776 . 1 1 137 137 ALA N N 15 120.474 0.5 . 1 . . . . 137 ALA N . 16037 1 1777 . 1 1 138 138 ASP H H 1 7.891 0.05 . 1 . . . . 138 ASP HN . 16037 1 1778 . 1 1 138 138 ASP HA H 1 4.583 0.05 . 1 . . . . 138 ASP HA . 16037 1 1779 . 1 1 138 138 ASP HB2 H 1 2.658 0.05 . 2 . . . . 138 ASP HB1 . 16037 1 1780 . 1 1 138 138 ASP HB3 H 1 2.658 0.05 . 2 . . . . 138 ASP HB2 . 16037 1 1781 . 1 1 138 138 ASP C C 13 177.560 0.5 . 1 . . . . 138 ASP C . 16037 1 1782 . 1 1 138 138 ASP CA C 13 54.967 0.5 . 1 . . . . 138 ASP CA . 16037 1 1783 . 1 1 138 138 ASP CB C 13 41.187 0.5 . 1 . . . . 138 ASP CB . 16037 1 1784 . 1 1 138 138 ASP N N 15 116.219 0.5 . 1 . . . . 138 ASP N . 16037 1 1785 . 1 1 139 139 GLY H H 1 7.703 0.05 . 1 . . . . 139 GLY HN . 16037 1 1786 . 1 1 139 139 GLY HA2 H 1 3.731 0.05 . 2 . . . . 139 GLY HA1 . 16037 1 1787 . 1 1 139 139 GLY HA3 H 1 3.731 0.05 . 2 . . . . 139 GLY HA2 . 16037 1 1788 . 1 1 139 139 GLY C C 13 174.751 0.5 . 1 . . . . 139 GLY C . 16037 1 1789 . 1 1 139 139 GLY CA C 13 46.240 0.5 . 1 . . . . 139 GLY CA . 16037 1 1790 . 1 1 139 139 GLY N N 15 108.127 0.5 . 1 . . . . 139 GLY N . 16037 1 1791 . 1 1 140 140 GLY H H 1 8.121 0.05 . 1 . . . . 140 GLY HN . 16037 1 1792 . 1 1 140 140 GLY HA2 H 1 3.779 0.05 . 2 . . . . 140 GLY HA1 . 16037 1 1793 . 1 1 140 140 GLY HA3 H 1 3.779 0.05 . 2 . . . . 140 GLY HA2 . 16037 1 1794 . 1 1 140 140 GLY C C 13 174.115 0.5 . 1 . . . . 140 GLY C . 16037 1 1795 . 1 1 140 140 GLY CA C 13 45.348 0.5 . 1 . . . . 140 GLY CA . 16037 1 1796 . 1 1 140 140 GLY N N 15 107.871 0.5 . 1 . . . . 140 GLY N . 16037 1 1797 . 1 1 141 141 ARG H H 1 7.639 0.05 . 1 . . . . 141 ARG HN . 16037 1 1798 . 1 1 141 141 ARG HA H 1 4.236 0.05 . 1 . . . . 141 ARG HA . 16037 1 1799 . 1 1 141 141 ARG HB2 H 1 1.603 0.05 . 2 . . . . 141 ARG HB1 . 16037 1 1800 . 1 1 141 141 ARG HB3 H 1 1.603 0.05 . 2 . . . . 141 ARG HB2 . 16037 1 1801 . 1 1 141 141 ARG HD2 H 1 3.040 0.05 . 2 . . . . 141 ARG HD1 . 16037 1 1802 . 1 1 141 141 ARG HD3 H 1 3.121 0.05 . 2 . . . . 141 ARG HD2 . 16037 1 1803 . 1 1 141 141 ARG HG2 H 1 1.395 0.05 . 2 . . . . 141 ARG HG1 . 16037 1 1804 . 1 1 141 141 ARG HG3 H 1 1.411 0.05 . 2 . . . . 141 ARG HG2 . 16037 1 1805 . 1 1 141 141 ARG C C 13 175.526 0.5 . 1 . . . . 141 ARG C . 16037 1 1806 . 1 1 141 141 ARG CA C 13 56.125 0.5 . 1 . . . . 141 ARG CA . 16037 1 1807 . 1 1 141 141 ARG CB C 13 31.348 0.5 . 1 . . . . 141 ARG CB . 16037 1 1808 . 1 1 141 141 ARG CD C 13 43.257 0.5 . 1 . . . . 141 ARG CD . 16037 1 1809 . 1 1 141 141 ARG CG C 13 26.801 0.5 . 1 . . . . 141 ARG CG . 16037 1 1810 . 1 1 141 141 ARG N N 15 119.386 0.5 . 1 . . . . 141 ARG N . 16037 1 1811 . 1 1 142 142 TYR H H 1 8.237 0.05 . 1 . . . . 142 TYR HN . 16037 1 1812 . 1 1 142 142 TYR HA H 1 4.596 0.05 . 1 . . . . 142 TYR HA . 16037 1 1813 . 1 1 142 142 TYR HB2 H 1 2.715 0.05 . 2 . . . . 142 TYR HB1 . 16037 1 1814 . 1 1 142 142 TYR HB3 H 1 3.020 0.05 . 2 . . . . 142 TYR HB2 . 16037 1 1815 . 1 1 142 142 TYR HD1 H 1 7.027 0.05 . 3 . . . . 142 TYR HD1 . 16037 1 1816 . 1 1 142 142 TYR HD2 H 1 7.027 0.05 . 3 . . . . 142 TYR HD2 . 16037 1 1817 . 1 1 142 142 TYR HE1 H 1 6.751 0.05 . 3 . . . . 142 TYR HE1 . 16037 1 1818 . 1 1 142 142 TYR HE2 H 1 6.751 0.05 . 3 . . . . 142 TYR HE2 . 16037 1 1819 . 1 1 142 142 TYR C C 13 175.086 0.5 . 1 . . . . 142 TYR C . 16037 1 1820 . 1 1 142 142 TYR CA C 13 57.693 0.5 . 1 . . . . 142 TYR CA . 16037 1 1821 . 1 1 142 142 TYR CB C 13 39.153 0.5 . 1 . . . . 142 TYR CB . 16037 1 1822 . 1 1 142 142 TYR CD1 C 13 133.049 0.5 . 3 . . . . 142 TYR CD1 . 16037 1 1823 . 1 1 142 142 TYR CD2 C 13 133.349 0.5 . 3 . . . . 142 TYR CD2 . 16037 1 1824 . 1 1 142 142 TYR CE1 C 13 117.908 0.5 . 3 . . . . 142 TYR CE1 . 16037 1 1825 . 1 1 142 142 TYR CE2 C 13 117.908 0.5 . 3 . . . . 142 TYR CE2 . 16037 1 1826 . 1 1 142 142 TYR N N 15 120.114 0.5 . 1 . . . . 142 TYR N . 16037 1 1827 . 1 1 143 143 CYS H H 1 8.304 0.05 . 1 . . . . 143 CYS HN . 16037 1 1828 . 1 1 143 143 CYS HA H 1 4.652 0.05 . 1 . . . . 143 CYS HA . 16037 1 1829 . 1 1 143 143 CYS HB2 H 1 3.150 0.05 . 2 . . . . 143 CYS HB1 . 16037 1 1830 . 1 1 143 143 CYS HB3 H 1 2.891 0.05 . 2 . . . . 143 CYS HB2 . 16037 1 1831 . 1 1 143 143 CYS C C 13 173.958 0.5 . 1 . . . . 143 CYS C . 16037 1 1832 . 1 1 143 143 CYS CA C 13 55.119 0.5 . 1 . . . . 143 CYS CA . 16037 1 1833 . 1 1 143 143 CYS CB C 13 41.361 0.5 . 1 . . . . 143 CYS CB . 16037 1 1834 . 1 1 143 143 CYS N N 15 120.395 0.5 . 1 . . . . 143 CYS N . 16037 1 1835 . 1 1 144 144 LEU H H 1 8.297 0.05 . 1 . . . . 144 LEU HN . 16037 1 1836 . 1 1 144 144 LEU HA H 1 4.615 0.05 . 1 . . . . 144 LEU HA . 16037 1 1837 . 1 1 144 144 LEU HB2 H 1 1.589 0.05 . 2 . . . . 144 LEU HB1 . 16037 1 1838 . 1 1 144 144 LEU HB3 H 1 1.589 0.05 . 2 . . . . 144 LEU HB2 . 16037 1 1839 . 1 1 144 144 LEU HD11 H 1 0.926 0.05 . 2 . . . . 144 LEU HD11 . 16037 1 1840 . 1 1 144 144 LEU HD12 H 1 0.926 0.05 . 2 . . . . 144 LEU HD11 . 16037 1 1841 . 1 1 144 144 LEU HD13 H 1 0.926 0.05 . 2 . . . . 144 LEU HD11 . 16037 1 1842 . 1 1 144 144 LEU HD21 H 1 0.934 0.05 . 2 . . . . 144 LEU HD21 . 16037 1 1843 . 1 1 144 144 LEU HD22 H 1 0.934 0.05 . 2 . . . . 144 LEU HD21 . 16037 1 1844 . 1 1 144 144 LEU HD23 H 1 0.934 0.05 . 2 . . . . 144 LEU HD21 . 16037 1 1845 . 1 1 144 144 LEU HG H 1 1.640 0.05 . 1 . . . . 144 LEU HG . 16037 1 1846 . 1 1 144 144 LEU CA C 13 53.059 0.5 . 1 . . . . 144 LEU CA . 16037 1 1847 . 1 1 144 144 LEU CB C 13 41.681 0.5 . 1 . . . . 144 LEU CB . 16037 1 1848 . 1 1 144 144 LEU CD1 C 13 23.862 0.5 . 1 . . . . 144 LEU CD1 . 16037 1 1849 . 1 1 144 144 LEU CD2 C 13 25.718 0.5 . 1 . . . . 144 LEU CD2 . 16037 1 1850 . 1 1 144 144 LEU CG C 13 27.792 0.5 . 1 . . . . 144 LEU CG . 16037 1 1851 . 1 1 144 144 LEU N N 15 124.909 0.5 . 1 . . . . 144 LEU N . 16037 1 1852 . 1 1 145 145 PRO HA H 1 4.410 0.05 . 1 . . . . 145 PRO HA . 16037 1 1853 . 1 1 145 145 PRO HB2 H 1 1.890 0.05 . 2 . . . . 145 PRO HB1 . 16037 1 1854 . 1 1 145 145 PRO HB3 H 1 2.259 0.05 . 2 . . . . 145 PRO HB2 . 16037 1 1855 . 1 1 145 145 PRO HD2 H 1 3.798 0.05 . 2 . . . . 145 PRO HD1 . 16037 1 1856 . 1 1 145 145 PRO HD3 H 1 3.650 0.05 . 2 . . . . 145 PRO HD2 . 16037 1 1857 . 1 1 145 145 PRO HG2 H 1 1.977 0.05 . 2 . . . . 145 PRO HG1 . 16037 1 1858 . 1 1 145 145 PRO HG3 H 1 2.037 0.05 . 2 . . . . 145 PRO HG2 . 16037 1 1859 . 1 1 145 145 PRO C C 13 176.539 0.5 . 1 . . . . 145 PRO C . 16037 1 1860 . 1 1 145 145 PRO CA C 13 62.876 0.5 . 1 . . . . 145 PRO CA . 16037 1 1861 . 1 1 145 145 PRO CB C 13 32.037 0.5 . 1 . . . . 145 PRO CB . 16037 1 1862 . 1 1 145 145 PRO CD C 13 50.574 0.5 . 1 . . . . 145 PRO CD . 16037 1 1863 . 1 1 145 145 PRO CG C 13 27.389 0.5 . 1 . . . . 145 PRO CG . 16037 1 1864 . 1 1 146 146 GLU H H 1 8.348 0.05 . 1 . . . . 146 GLU HN . 16037 1 1865 . 1 1 146 146 GLU HA H 1 4.553 0.05 . 1 . . . . 146 GLU HA . 16037 1 1866 . 1 1 146 146 GLU HB2 H 1 1.875 0.05 . 2 . . . . 146 GLU HB1 . 16037 1 1867 . 1 1 146 146 GLU HB3 H 1 2.028 0.05 . 2 . . . . 146 GLU HB2 . 16037 1 1868 . 1 1 146 146 GLU HG2 H 1 2.326 0.05 . 2 . . . . 146 GLU HG1 . 16037 1 1869 . 1 1 146 146 GLU HG3 H 1 2.326 0.05 . 2 . . . . 146 GLU HG2 . 16037 1 1870 . 1 1 146 146 GLU CA C 13 54.389 0.5 . 1 . . . . 146 GLU CA . 16037 1 1871 . 1 1 146 146 GLU CB C 13 29.891 0.5 . 1 . . . . 146 GLU CB . 16037 1 1872 . 1 1 146 146 GLU CG C 13 36.555 0.5 . 1 . . . . 146 GLU CG . 16037 1 1873 . 1 1 146 146 GLU N N 15 122.459 0.5 . 1 . . . . 146 GLU N . 16037 1 1874 . 1 1 147 147 PRO HA H 1 4.407 0.05 . 1 . . . . 147 PRO HA . 16037 1 1875 . 1 1 147 147 PRO HB2 H 1 2.249 0.05 . 2 . . . . 147 PRO HB1 . 16037 1 1876 . 1 1 147 147 PRO HB3 H 1 1.983 0.05 . 2 . . . . 147 PRO HB2 . 16037 1 1877 . 1 1 147 147 PRO HD2 H 1 3.683 0.05 . 2 . . . . 147 PRO HD1 . 16037 1 1878 . 1 1 147 147 PRO HD3 H 1 3.795 0.05 . 2 . . . . 147 PRO HD2 . 16037 1 1879 . 1 1 147 147 PRO HG2 H 1 1.977 0.05 . 2 . . . . 147 PRO HG1 . 16037 1 1880 . 1 1 147 147 PRO HG3 H 1 2.032 0.05 . 2 . . . . 147 PRO HG2 . 16037 1 1881 . 1 1 147 147 PRO CA C 13 63.177 0.5 . 1 . . . . 147 PRO CA . 16037 1 1882 . 1 1 147 147 PRO CB C 13 31.872 0.5 . 1 . . . . 147 PRO CB . 16037 1 1883 . 1 1 147 147 PRO CD C 13 50.689 0.5 . 1 . . . . 147 PRO CD . 16037 1 1884 . 1 1 147 147 PRO CG C 13 27.369 0.5 . 1 . . . . 147 PRO CG . 16037 1 1885 . 1 1 148 148 LEU H H 1 7.883 0.05 . 1 . . . . 148 LEU HN . 16037 1 1886 . 1 1 148 148 LEU HA H 1 4.176 0.05 . 1 . . . . 148 LEU HA . 16037 1 1887 . 1 1 148 148 LEU HB2 H 1 1.565 0.05 . 2 . . . . 148 LEU HB1 . 16037 1 1888 . 1 1 148 148 LEU HB3 H 1 1.565 0.05 . 2 . . . . 148 LEU HB2 . 16037 1 1889 . 1 1 148 148 LEU HD21 H 1 0.871 0.05 . 2 . . . . 148 LEU HD21 . 16037 1 1890 . 1 1 148 148 LEU HD22 H 1 0.871 0.05 . 2 . . . . 148 LEU HD21 . 16037 1 1891 . 1 1 148 148 LEU HD23 H 1 0.871 0.05 . 2 . . . . 148 LEU HD21 . 16037 1 1892 . 1 1 148 148 LEU HG H 1 1.638 0.05 . 1 . . . . 148 LEU HG . 16037 1 1893 . 1 1 148 148 LEU CA C 13 56.792 0.5 . 1 . . . . 148 LEU CA . 16037 1 1894 . 1 1 148 148 LEU CB C 13 43.488 0.5 . 1 . . . . 148 LEU CB . 16037 1 1895 . 1 1 148 148 LEU CD2 C 13 23.534 0.5 . 1 . . . . 148 LEU CD2 . 16037 1 1896 . 1 1 148 148 LEU CG C 13 27.224 0.5 . 1 . . . . 148 LEU CG . 16037 1 1897 . 1 1 148 148 LEU N N 15 128.363 0.5 . 1 . . . . 148 LEU N . 16037 1 1898 . 2 2 1 1 FMN H1R1 H 1 5.063 0.05 . 2 . . . . 149 FMN H1R1 . 16037 1 1899 . 2 2 1 1 FMN H1R2 H 1 4.863 0.05 . 2 . . . . 149 FMN H1R2 . 16037 1 1900 . 2 2 1 1 FMN H2R H 1 4.402 0.05 . 1 . . . . 149 FMN H2R . 16037 1 1901 . 2 2 1 1 FMN H3 H 1 12.360 0.05 . 1 . . . . 149 FMN H3 . 16037 1 1902 . 2 2 1 1 FMN H3R H 1 3.918 0.05 . 1 . . . . 149 FMN H3R . 16037 1 1903 . 2 2 1 1 FMN H6 H 1 7.670 0.05 . 1 . . . . 149 FMN H6 . 16037 1 1904 . 2 2 1 1 FMN H7M1 H 1 1.241 0.05 . 1 . . . . 149 FMN H7M1 . 16037 1 1905 . 2 2 1 1 FMN H8M1 H 1 2.547 0.05 . 1 . . . . 149 FMN H8M1 . 16037 1 1906 . 2 2 1 1 FMN H9 H 1 7.879 0.05 . 1 . . . . 149 FMN H9 . 16037 1 1907 . 2 2 1 1 FMN C1R C 13 50.558 0.5 . 1 . . . . 149 FMN C1R . 16037 1 1908 . 2 2 1 1 FMN C2R C 13 71.815 0.5 . 1 . . . . 149 FMN C2R . 16037 1 1909 . 2 2 1 1 FMN C3R C 13 76.290 0.5 . 1 . . . . 149 FMN C3R . 16037 1 1910 . 2 2 1 1 FMN C6 C 13 132.795 0.5 . 1 . . . . 149 FMN C6 . 16037 1 1911 . 2 2 1 1 FMN C7M C 13 20.532 0.5 . 1 . . . . 149 FMN C7M . 16037 1 1912 . 2 2 1 1 FMN C8M C 13 24.282 0.5 . 1 . . . . 149 FMN C8M . 16037 1 1913 . 2 2 1 1 FMN C9 C 13 119.376 0.5 . 1 . . . . 149 FMN C9 . 16037 1 1914 . 2 2 1 1 FMN N3 N 15 162.270 0.5 . 1 . . . . 149 FMN N3 . 16037 1 stop_ save_