data_18720 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18720 _Entry.Title ; The solution structure of the Dm DCP1 EVH1 domain in complex with the XRN1 DBM peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-17 _Entry.Accession_date 2012-09-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vincent Truffault . . . 18720 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' . 18720 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DCP1/XRN1 . 18720 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18720 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 18720 '15N chemical shifts' 123 18720 '1H chemical shifts' 18 18720 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 2 . . 2014-02-19 2012-09-17 update BMRB 'update entry citation' 18720 1 . . 2012-10-15 2012-09-17 original author 'original release' 18720 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LYD 'BMRB Entry Tracking System' 18720 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18720 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23142987 _Citation.Full_citation . _Citation.Title "A direct interaction between DCP1 and XRN1 couples mRNA decapping to 5' exonucleolytic degradation." _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 19 _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 1324 _Citation.Page_last 1331 _Citation.Year 2012 _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 Joerg Braun . E. . 18720 1 2 Vincent Truffault . . . 18720 1 3 Andreas Boland . . . 18720 1 4 Eric Huntzinger . . . 18720 1 5 Chung-Te Chang . . . 18720 1 6 Gabrielle Haas . . . 18720 1 7 Oliver Weichenrieder . . . 18720 1 8 Murray Coles . . . 18720 1 9 Elisa Izaurralde . . . 18720 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18720 _Assembly.ID 1 _Assembly.Name 'Dm DCP1 EVH1 domain in complex with the XRN1 DBM peptide' _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 'Dm DCP1 EVH1 domain' 1 $Dm_DCP1_EVH1_domain A . yes native no no . . . 18720 1 2 'XRN1 DBM peptide' 2 $XRN1_DBM B . yes native no no . . . 18720 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dm_DCP1_EVH1_domain _Entity.Sf_category entity _Entity.Sf_framecode Dm_DCP1_EVH1_domain _Entity.Entry_ID 18720 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dm_DCP1_EVH1_domain _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 ; GPHMADLMADESITRMNLAA IKKIDPYAKEIVDSSSHVAF YTFNSSQNEWEKTDVEGAFF IYHRNAEPFHSIFINNRLNT TSFVEPITGSLELQSQPPFL LYRNERSRIRGFWFYNSEEC DRISGLVNGLLKSK ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15361.304 _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 2LYD . "The Solution Structure Of The Dm Dcp1 Evh1 Domain In Complex With The Xrn1 Dbm Peptide" . . . . . 100.00 134 100.00 100.00 3.46e-94 . . . . 18720 1 2 no GB AAF47089 . "decapping protein 1, isoform A [Drosophila melanogaster]" . . . . . 94.78 372 100.00 100.00 5.92e-87 . . . . 18720 1 3 no GB AAX94785 . "GH04763p [Drosophila melanogaster]" . . . . . 94.78 387 100.00 100.00 9.17e-87 . . . . 18720 1 4 no GB ACL88332 . "Dcp1-PA, partial [synthetic construct]" . . . . . 94.78 372 100.00 100.00 5.92e-87 . . . . 18720 1 5 no GB ACZ94554 . "decapping protein 1, isoform B [Drosophila melanogaster]" . . . . . 94.78 372 100.00 100.00 5.92e-87 . . . . 18720 1 6 no GB EDV56888 . "uncharacterized protein Dere_GG19983 [Drosophila erecta]" . . . . . 94.78 363 99.21 100.00 1.76e-86 . . . . 18720 1 7 no REF NP_001163282 . "decapping protein 1, isoform B [Drosophila melanogaster]" . . . . . 94.78 372 100.00 100.00 5.92e-87 . . . . 18720 1 8 no REF NP_611842 . "decapping protein 1, isoform A [Drosophila melanogaster]" . . . . . 94.78 372 100.00 100.00 5.92e-87 . . . . 18720 1 9 no REF XP_001976488 . "GG19983 [Drosophila erecta]" . . . . . 94.78 363 99.21 100.00 1.76e-86 . . . . 18720 1 10 no REF XP_002040166 . "GM15497 [Drosophila sechellia]" . . . . . 94.78 366 100.00 100.00 1.07e-86 . . . . 18720 1 11 no REF XP_002045212 . "GM13666 [Drosophila sechellia]" . . . . . 61.19 82 98.78 98.78 1.14e-50 . . . . 18720 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 -6 GLY . 18720 1 2 -5 PRO . 18720 1 3 -4 HIS . 18720 1 4 -3 MET . 18720 1 5 -2 ALA . 18720 1 6 -1 ASP . 18720 1 7 0 LEU . 18720 1 8 1 MET . 18720 1 9 2 ALA . 18720 1 10 3 ASP . 18720 1 11 4 GLU . 18720 1 12 5 SER . 18720 1 13 6 ILE . 18720 1 14 7 THR . 18720 1 15 8 ARG . 18720 1 16 9 MET . 18720 1 17 10 ASN . 18720 1 18 11 LEU . 18720 1 19 12 ALA . 18720 1 20 13 ALA . 18720 1 21 14 ILE . 18720 1 22 15 LYS . 18720 1 23 16 LYS . 18720 1 24 17 ILE . 18720 1 25 18 ASP . 18720 1 26 19 PRO . 18720 1 27 20 TYR . 18720 1 28 21 ALA . 18720 1 29 22 LYS . 18720 1 30 23 GLU . 18720 1 31 24 ILE . 18720 1 32 25 VAL . 18720 1 33 26 ASP . 18720 1 34 27 SER . 18720 1 35 28 SER . 18720 1 36 29 SER . 18720 1 37 30 HIS . 18720 1 38 31 VAL . 18720 1 39 32 ALA . 18720 1 40 33 PHE . 18720 1 41 34 TYR . 18720 1 42 35 THR . 18720 1 43 36 PHE . 18720 1 44 37 ASN . 18720 1 45 38 SER . 18720 1 46 39 SER . 18720 1 47 40 GLN . 18720 1 48 41 ASN . 18720 1 49 42 GLU . 18720 1 50 43 TRP . 18720 1 51 44 GLU . 18720 1 52 45 LYS . 18720 1 53 46 THR . 18720 1 54 47 ASP . 18720 1 55 48 VAL . 18720 1 56 49 GLU . 18720 1 57 50 GLY . 18720 1 58 51 ALA . 18720 1 59 52 PHE . 18720 1 60 53 PHE . 18720 1 61 54 ILE . 18720 1 62 55 TYR . 18720 1 63 56 HIS . 18720 1 64 57 ARG . 18720 1 65 58 ASN . 18720 1 66 59 ALA . 18720 1 67 60 GLU . 18720 1 68 61 PRO . 18720 1 69 62 PHE . 18720 1 70 63 HIS . 18720 1 71 64 SER . 18720 1 72 65 ILE . 18720 1 73 66 PHE . 18720 1 74 67 ILE . 18720 1 75 68 ASN . 18720 1 76 69 ASN . 18720 1 77 70 ARG . 18720 1 78 71 LEU . 18720 1 79 72 ASN . 18720 1 80 73 THR . 18720 1 81 74 THR . 18720 1 82 75 SER . 18720 1 83 76 PHE . 18720 1 84 77 VAL . 18720 1 85 78 GLU . 18720 1 86 79 PRO . 18720 1 87 80 ILE . 18720 1 88 81 THR . 18720 1 89 82 GLY . 18720 1 90 83 SER . 18720 1 91 84 LEU . 18720 1 92 85 GLU . 18720 1 93 86 LEU . 18720 1 94 87 GLN . 18720 1 95 88 SER . 18720 1 96 89 GLN . 18720 1 97 90 PRO . 18720 1 98 91 PRO . 18720 1 99 92 PHE . 18720 1 100 93 LEU . 18720 1 101 94 LEU . 18720 1 102 95 TYR . 18720 1 103 96 ARG . 18720 1 104 97 ASN . 18720 1 105 98 GLU . 18720 1 106 99 ARG . 18720 1 107 100 SER . 18720 1 108 101 ARG . 18720 1 109 102 ILE . 18720 1 110 103 ARG . 18720 1 111 104 GLY . 18720 1 112 105 PHE . 18720 1 113 106 TRP . 18720 1 114 107 PHE . 18720 1 115 108 TYR . 18720 1 116 109 ASN . 18720 1 117 110 SER . 18720 1 118 111 GLU . 18720 1 119 112 GLU . 18720 1 120 113 CYS . 18720 1 121 114 ASP . 18720 1 122 115 ARG . 18720 1 123 116 ILE . 18720 1 124 117 SER . 18720 1 125 118 GLY . 18720 1 126 119 LEU . 18720 1 127 120 VAL . 18720 1 128 121 ASN . 18720 1 129 122 GLY . 18720 1 130 123 LEU . 18720 1 131 124 LEU . 18720 1 132 125 LYS . 18720 1 133 126 SER . 18720 1 134 127 LYS . 18720 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 18720 1 . PRO 2 2 18720 1 . HIS 3 3 18720 1 . MET 4 4 18720 1 . ALA 5 5 18720 1 . ASP 6 6 18720 1 . LEU 7 7 18720 1 . MET 8 8 18720 1 . ALA 9 9 18720 1 . ASP 10 10 18720 1 . GLU 11 11 18720 1 . SER 12 12 18720 1 . ILE 13 13 18720 1 . THR 14 14 18720 1 . ARG 15 15 18720 1 . MET 16 16 18720 1 . ASN 17 17 18720 1 . LEU 18 18 18720 1 . ALA 19 19 18720 1 . ALA 20 20 18720 1 . ILE 21 21 18720 1 . LYS 22 22 18720 1 . LYS 23 23 18720 1 . ILE 24 24 18720 1 . ASP 25 25 18720 1 . PRO 26 26 18720 1 . TYR 27 27 18720 1 . ALA 28 28 18720 1 . LYS 29 29 18720 1 . GLU 30 30 18720 1 . ILE 31 31 18720 1 . VAL 32 32 18720 1 . ASP 33 33 18720 1 . SER 34 34 18720 1 . SER 35 35 18720 1 . SER 36 36 18720 1 . HIS 37 37 18720 1 . VAL 38 38 18720 1 . ALA 39 39 18720 1 . PHE 40 40 18720 1 . TYR 41 41 18720 1 . THR 42 42 18720 1 . PHE 43 43 18720 1 . ASN 44 44 18720 1 . SER 45 45 18720 1 . SER 46 46 18720 1 . GLN 47 47 18720 1 . ASN 48 48 18720 1 . GLU 49 49 18720 1 . TRP 50 50 18720 1 . GLU 51 51 18720 1 . LYS 52 52 18720 1 . THR 53 53 18720 1 . ASP 54 54 18720 1 . VAL 55 55 18720 1 . GLU 56 56 18720 1 . GLY 57 57 18720 1 . ALA 58 58 18720 1 . PHE 59 59 18720 1 . PHE 60 60 18720 1 . ILE 61 61 18720 1 . TYR 62 62 18720 1 . HIS 63 63 18720 1 . ARG 64 64 18720 1 . ASN 65 65 18720 1 . ALA 66 66 18720 1 . GLU 67 67 18720 1 . PRO 68 68 18720 1 . PHE 69 69 18720 1 . HIS 70 70 18720 1 . SER 71 71 18720 1 . ILE 72 72 18720 1 . PHE 73 73 18720 1 . ILE 74 74 18720 1 . ASN 75 75 18720 1 . ASN 76 76 18720 1 . ARG 77 77 18720 1 . LEU 78 78 18720 1 . ASN 79 79 18720 1 . THR 80 80 18720 1 . THR 81 81 18720 1 . SER 82 82 18720 1 . PHE 83 83 18720 1 . VAL 84 84 18720 1 . GLU 85 85 18720 1 . PRO 86 86 18720 1 . ILE 87 87 18720 1 . THR 88 88 18720 1 . GLY 89 89 18720 1 . SER 90 90 18720 1 . LEU 91 91 18720 1 . GLU 92 92 18720 1 . LEU 93 93 18720 1 . GLN 94 94 18720 1 . SER 95 95 18720 1 . GLN 96 96 18720 1 . PRO 97 97 18720 1 . PRO 98 98 18720 1 . PHE 99 99 18720 1 . LEU 100 100 18720 1 . LEU 101 101 18720 1 . TYR 102 102 18720 1 . ARG 103 103 18720 1 . ASN 104 104 18720 1 . GLU 105 105 18720 1 . ARG 106 106 18720 1 . SER 107 107 18720 1 . ARG 108 108 18720 1 . ILE 109 109 18720 1 . ARG 110 110 18720 1 . GLY 111 111 18720 1 . PHE 112 112 18720 1 . TRP 113 113 18720 1 . PHE 114 114 18720 1 . TYR 115 115 18720 1 . ASN 116 116 18720 1 . SER 117 117 18720 1 . GLU 118 118 18720 1 . GLU 119 119 18720 1 . CYS 120 120 18720 1 . ASP 121 121 18720 1 . ARG 122 122 18720 1 . ILE 123 123 18720 1 . SER 124 124 18720 1 . GLY 125 125 18720 1 . LEU 126 126 18720 1 . VAL 127 127 18720 1 . ASN 128 128 18720 1 . GLY 129 129 18720 1 . LEU 130 130 18720 1 . LEU 131 131 18720 1 . LYS 132 132 18720 1 . SER 133 133 18720 1 . LYS 134 134 18720 1 stop_ save_ save_XRN1_DBM _Entity.Sf_category entity _Entity.Sf_framecode XRN1_DBM _Entity.Entry_ID 18720 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name XRN1_DBM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPQDPLLQQQRAPFPGQMPN LPKPPLFWQQEAQKQEAL ; _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 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4355.992 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 2LYD . "The Solution Structure Of The Dm Dcp1 Evh1 Domain In Complex With The Xrn1 Dbm Peptide" . . . . . 100.00 38 100.00 100.00 1.76e-15 . . . . 18720 2 2 no EMBL CAB43711 . "pacman protein [Drosophila melanogaster]" . . . . . 60.53 1613 100.00 100.00 1.11e-05 . . . . 18720 2 3 no GB AAF48958 . "pacman, isoform A [Drosophila melanogaster]" . . . . . 60.53 1612 100.00 100.00 1.03e-05 . . . . 18720 2 4 no GB AAK93099 . "LD22664p [Drosophila melanogaster]" . . . . . 60.53 1612 100.00 100.00 1.03e-05 . . . . 18720 2 5 no GB ACZ95330 . "pacman, isoform B [Drosophila melanogaster]" . . . . . 60.53 1613 100.00 100.00 1.03e-05 . . . . 18720 2 6 no REF NP_001162796 . "pacman, isoform B [Drosophila melanogaster]" . . . . . 60.53 1613 100.00 100.00 1.03e-05 . . . . 18720 2 7 no REF NP_523408 . "pacman, isoform A [Drosophila melanogaster]" . . . . . 60.53 1612 100.00 100.00 1.03e-05 . . . . 18720 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 18720 2 2 2 PRO . 18720 2 3 3 GLN . 18720 2 4 4 ASP . 18720 2 5 5 PRO . 18720 2 6 6 LEU . 18720 2 7 7 LEU . 18720 2 8 8 GLN . 18720 2 9 9 GLN . 18720 2 10 10 GLN . 18720 2 11 11 ARG . 18720 2 12 12 ALA . 18720 2 13 13 PRO . 18720 2 14 14 PHE . 18720 2 15 15 PRO . 18720 2 16 16 GLY . 18720 2 17 17 GLN . 18720 2 18 18 MET . 18720 2 19 19 PRO . 18720 2 20 20 ASN . 18720 2 21 21 LEU . 18720 2 22 22 PRO . 18720 2 23 23 LYS . 18720 2 24 24 PRO . 18720 2 25 25 PRO . 18720 2 26 26 LEU . 18720 2 27 27 PHE . 18720 2 28 28 TRP . 18720 2 29 29 GLN . 18720 2 30 30 GLN . 18720 2 31 31 GLU . 18720 2 32 32 ALA . 18720 2 33 33 GLN . 18720 2 34 34 LYS . 18720 2 35 35 GLN . 18720 2 36 36 GLU . 18720 2 37 37 ALA . 18720 2 38 38 LEU . 18720 2 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 18720 2 . PRO 2 2 18720 2 . GLN 3 3 18720 2 . ASP 4 4 18720 2 . PRO 5 5 18720 2 . LEU 6 6 18720 2 . LEU 7 7 18720 2 . GLN 8 8 18720 2 . GLN 9 9 18720 2 . GLN 10 10 18720 2 . ARG 11 11 18720 2 . ALA 12 12 18720 2 . PRO 13 13 18720 2 . PHE 14 14 18720 2 . PRO 15 15 18720 2 . GLY 16 16 18720 2 . GLN 17 17 18720 2 . MET 18 18 18720 2 . PRO 19 19 18720 2 . ASN 20 20 18720 2 . LEU 21 21 18720 2 . PRO 22 22 18720 2 . LYS 23 23 18720 2 . PRO 24 24 18720 2 . PRO 25 25 18720 2 . LEU 26 26 18720 2 . PHE 27 27 18720 2 . TRP 28 28 18720 2 . GLN 29 29 18720 2 . GLN 30 30 18720 2 . GLU 31 31 18720 2 . ALA 32 32 18720 2 . GLN 33 33 18720 2 . LYS 34 34 18720 2 . GLN 35 35 18720 2 . GLU 36 36 18720 2 . ALA 37 37 18720 2 . LEU 38 38 18720 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 18720 _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 $Dm_DCP1_EVH1_domain . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 18720 1 2 2 $XRN1_DBM . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 18720 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 18720 _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 $Dm_DCP1_EVH1_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 18720 1 2 2 $XRN1_DBM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 18720 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18720 _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 Dm_DCP1_EVH1_domain '[U-100% 15N]' . . 1 $Dm_DCP1_EVH1_domain . . 0.4 . . mM . . . . 18720 1 2 Dm_DCP1_EVH1_domain '[U-100% 13C; U-100% 15N]' . . 1 $Dm_DCP1_EVH1_domain . . 0.7 . . mM . . . . 18720 1 3 XRN1_DBM '[U-100% 15N]' . . 2 $XRN1_DBM . . 0.4 . . mM . . . . 18720 1 4 XRN1_DBM '[U-100% 13C; U-100% 15N]' . . 2 $XRN1_DBM . . 0.7 . . mM . . . . 18720 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18720 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18720 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 18720 _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' 300 . mM 18720 1 pH 7.1 . pH 18720 1 pressure 1 . atm 18720 1 temperature 298 . K 18720 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18720 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18720 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18720 1 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 18720 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18720 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18720 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18720 1 2 spectrometer_2 Bruker Avance . 800 . . . 18720 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 18720 _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 . . . . . . . . . . . . . . . . . . . . . 18720 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 8 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 9 '2D NOESYnoN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 10 '2D PLUSH-TACSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 11 '3D NNH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 12 '3D CNH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 13 '3D CCH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 1 14 '4D CCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18720 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 18720 _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 na indirect 0.251449530 . . . . . . . . . 18720 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18720 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18720 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 18720 _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' . . . 18720 1 2 '3D C(CO)NH' . . . 18720 1 3 '3D HNCACB' . . . 18720 1 6 '3D HNHA' . . . 18720 1 7 '3D HCCH-TOCSY' . . . 18720 1 8 '3D HNHB' . . . 18720 1 10 '2D PLUSH-TACSY' . . . 18720 1 14 '4D CCANH' . . . 18720 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 7 7 LEU CA C 13 55.88 0.05 . 1 . . . A 0 LEU C . 18720 1 2 . 1 1 7 7 LEU CB C 13 42.02 0.05 . 1 . . . A 0 LEU C . 18720 1 3 . 1 1 7 7 LEU CG C 13 26.86 0.05 . 1 . . . A 0 LEU C . 18720 1 4 . 1 1 7 7 LEU CD1 C 13 24.74 0.05 . 1 . . . A 0 LEU C . 18720 1 5 . 1 1 7 7 LEU CD2 C 13 23.67 0.05 . 1 . . . A 0 LEU C . 18720 1 6 . 1 1 7 7 LEU N N 15 122.50 0.05 . 1 . . . A 0 LEU C . 18720 1 7 . 1 1 8 8 MET C C 13 176.36 0.05 . 1 . . . A 1 MET C . 18720 1 8 . 1 1 8 8 MET CA C 13 55.43 0.05 . 1 . . . A 1 MET CA . 18720 1 9 . 1 1 8 8 MET CB C 13 32.22 0.05 . 1 . . . A 1 MET CB . 18720 1 10 . 1 1 8 8 MET CG C 13 33.10 0.05 . 1 . . . A 1 MET CG . 18720 1 11 . 1 1 9 9 ALA C C 13 177.62 0.05 . 1 . . . A 2 ALA C . 18720 1 12 . 1 1 9 9 ALA CA C 13 52.91 0.05 . 1 . . . A 2 ALA CA . 18720 1 13 . 1 1 9 9 ALA CB C 13 19.05 0.05 . 1 . . . A 2 ALA CB . 18720 1 14 . 1 1 9 9 ALA N N 15 123.96 0.05 . 1 . . . A 2 ALA N . 18720 1 15 . 1 1 10 10 ASP C C 13 177.15 0.05 . 1 . . . A 3 ASP C . 18720 1 16 . 1 1 10 10 ASP CA C 13 54.80 0.05 . 1 . . . A 3 ASP CA . 18720 1 17 . 1 1 10 10 ASP CB C 13 41.61 0.05 . 1 . . . A 3 ASP CB . 18720 1 18 . 1 1 10 10 ASP N N 15 119.57 0.05 . 1 . . . A 3 ASP N . 18720 1 19 . 1 1 11 11 GLU C C 13 177.71 0.05 . 1 . . . A 4 GLU C . 18720 1 20 . 1 1 11 11 GLU CA C 13 58.39 0.05 . 1 . . . A 4 GLU CA . 18720 1 21 . 1 1 11 11 GLU CB C 13 29.80 0.05 . 1 . . . A 4 GLU CB . 18720 1 22 . 1 1 11 11 GLU CG C 13 36.24 0.05 . 1 . . . A 4 GLU CG . 18720 1 23 . 1 1 11 11 GLU N N 15 123.11 0.05 . 1 . . . A 4 GLU N . 18720 1 24 . 1 1 12 12 SER CA C 13 60.87 0.05 . 1 . . . A 5 SER CA . 18720 1 25 . 1 1 12 12 SER CB C 13 62.94 0.05 . 1 . . . A 5 SER CB . 18720 1 26 . 1 1 12 12 SER N N 15 116.02 0.05 . 1 . . . A 5 SER N . 18720 1 27 . 1 1 13 13 ILE C C 13 178.18 0.05 . 1 . . . A 6 ILE C . 18720 1 28 . 1 1 13 13 ILE CA C 13 63.67 0.05 . 1 . . . A 6 ILE CA . 18720 1 29 . 1 1 13 13 ILE CB C 13 37.66 0.05 . 1 . . . A 6 ILE CB . 18720 1 30 . 1 1 13 13 ILE CG1 C 13 28.50 0.05 . 1 . . . A 6 ILE CG1 . 18720 1 31 . 1 1 13 13 ILE CG2 C 13 17.51 0.05 . 1 . . . A 6 ILE CG2 . 18720 1 32 . 1 1 13 13 ILE CD1 C 13 12.34 0.05 . 1 . . . A 6 ILE CD1 . 18720 1 33 . 1 1 13 13 ILE N N 15 123.79 0.05 . 1 . . . A 6 ILE N . 18720 1 34 . 1 1 14 14 THR C C 13 176.03 0.05 . 1 . . . A 7 THR C . 18720 1 35 . 1 1 14 14 THR CA C 13 66.37 0.05 . 1 . . . A 7 THR CA . 18720 1 36 . 1 1 14 14 THR CB C 13 68.64 0.05 . 1 . . . A 7 THR CB . 18720 1 37 . 1 1 14 14 THR CG2 C 13 22.36 0.05 . 1 . . . A 7 THR CG2 . 18720 1 38 . 1 1 14 14 THR N N 15 117.45 0.05 . 1 . . . A 7 THR N . 18720 1 39 . 1 1 15 15 ARG C C 13 179.04 0.05 . 1 . . . A 8 ARG C . 18720 1 40 . 1 1 15 15 ARG CA C 13 59.39 0.05 . 1 . . . A 8 ARG CA . 18720 1 41 . 1 1 15 15 ARG CB C 13 29.99 0.05 . 1 . . . A 8 ARG CB . 18720 1 42 . 1 1 15 15 ARG CG C 13 27.70 0.05 . 1 . . . A 8 ARG CG . 18720 1 43 . 1 1 15 15 ARG CD C 13 43.39 0.05 . 1 . . . A 8 ARG CD . 18720 1 44 . 1 1 15 15 ARG N N 15 120.77 0.05 . 1 . . . A 8 ARG N . 18720 1 45 . 1 1 16 16 MET C C 13 178.76 0.05 . 1 . . . A 9 MET C . 18720 1 46 . 1 1 16 16 MET CA C 13 58.24 0.05 . 1 . . . A 9 MET CA . 18720 1 47 . 1 1 16 16 MET CB C 13 31.97 0.05 . 1 . . . A 9 MET CB . 18720 1 48 . 1 1 16 16 MET N N 15 119.84 0.05 . 1 . . . A 9 MET N . 18720 1 49 . 1 1 17 17 ASN C C 13 176.66 0.05 . 1 . . . A 10 ASN C . 18720 1 50 . 1 1 17 17 ASN CA C 13 55.64 0.05 . 1 . . . A 10 ASN CA . 18720 1 51 . 1 1 17 17 ASN CB C 13 38.31 0.05 . 1 . . . A 10 ASN CB . 18720 1 52 . 1 1 17 17 ASN N N 15 120.19 0.05 . 1 . . . A 10 ASN N . 18720 1 53 . 1 1 18 18 LEU C C 13 177.69 0.05 . 1 . . . A 11 LEU C . 18720 1 54 . 1 1 18 18 LEU CA C 13 57.39 0.05 . 1 . . . A 11 LEU CA . 18720 1 55 . 1 1 18 18 LEU CB C 13 40.98 0.05 . 1 . . . A 11 LEU CB . 18720 1 56 . 1 1 18 18 LEU CG C 13 26.98 0.05 . 1 . . . A 11 LEU CG . 18720 1 57 . 1 1 18 18 LEU CD1 C 13 22.59 0.05 . 1 . . . A 11 LEU CD1 . 18720 1 58 . 1 1 18 18 LEU CD2 C 13 25.63 0.05 . 1 . . . A 11 LEU CD2 . 18720 1 59 . 1 1 18 18 LEU N N 15 121.49 0.05 . 1 . . . A 11 LEU N . 18720 1 60 . 1 1 19 19 ALA C C 13 179.91 0.05 . 1 . . . A 12 ALA C . 18720 1 61 . 1 1 19 19 ALA CA C 13 54.89 0.05 . 1 . . . A 12 ALA CA . 18720 1 62 . 1 1 19 19 ALA CB C 13 17.56 0.05 . 1 . . . A 12 ALA CB . 18720 1 63 . 1 1 19 19 ALA N N 15 120.38 0.05 . 1 . . . A 12 ALA N . 18720 1 64 . 1 1 20 20 ALA C C 13 179.74 0.05 . 1 . . . A 13 ALA C . 18720 1 65 . 1 1 20 20 ALA CA C 13 54.83 0.05 . 1 . . . A 13 ALA CA . 18720 1 66 . 1 1 20 20 ALA CB C 13 17.52 0.05 . 1 . . . A 13 ALA CB . 18720 1 67 . 1 1 20 20 ALA N N 15 119.96 0.05 . 1 . . . A 13 ALA N . 18720 1 68 . 1 1 21 21 ILE C C 13 178.22 0.05 . 1 . . . A 14 ILE C . 18720 1 69 . 1 1 21 21 ILE CA C 13 64.36 0.05 . 1 . . . A 14 ILE CA . 18720 1 70 . 1 1 21 21 ILE CB C 13 37.14 0.05 . 1 . . . A 14 ILE CB . 18720 1 71 . 1 1 21 21 ILE CG1 C 13 26.69 0.05 . 1 . . . A 14 ILE CG1 . 18720 1 72 . 1 1 21 21 ILE CG2 C 13 15.93 0.05 . 1 . . . A 14 ILE CG2 . 18720 1 73 . 1 1 21 21 ILE CD1 C 13 12.84 0.05 . 1 . . . A 14 ILE CD1 . 18720 1 74 . 1 1 21 21 ILE N N 15 118.04 0.05 . 1 . . . A 14 ILE N . 18720 1 75 . 1 1 22 22 LYS C C 13 177.44 0.05 . 1 . . . A 15 LYS C . 18720 1 76 . 1 1 22 22 LYS CA C 13 57.82 0.05 . 1 . . . A 15 LYS CA . 18720 1 77 . 1 1 22 22 LYS CB C 13 32.89 0.05 . 1 . . . A 15 LYS CB . 18720 1 78 . 1 1 22 22 LYS CG C 13 26.95 0.05 . 1 . . . A 15 LYS CG . 18720 1 79 . 1 1 22 22 LYS CD C 13 29.77 0.05 . 1 . . . A 15 LYS CD . 18720 1 80 . 1 1 22 22 LYS CE C 13 41.80 0.05 . 1 . . . A 15 LYS CE . 18720 1 81 . 1 1 22 22 LYS N N 15 118.74 0.05 . 1 . . . A 15 LYS N . 18720 1 82 . 1 1 23 23 LYS C C 13 177.06 0.05 . 1 . . . A 16 LYS C . 18720 1 83 . 1 1 23 23 LYS CA C 13 58.56 0.05 . 1 . . . A 16 LYS CA . 18720 1 84 . 1 1 23 23 LYS CB C 13 32.59 0.05 . 1 . . . A 16 LYS CB . 18720 1 85 . 1 1 23 23 LYS CG C 13 25.14 0.05 . 1 . . . A 16 LYS CG . 18720 1 86 . 1 1 23 23 LYS CD C 13 29.18 0.05 . 1 . . . A 16 LYS CD . 18720 1 87 . 1 1 23 23 LYS CE C 13 42.14 0.05 . 1 . . . A 16 LYS CE . 18720 1 88 . 1 1 23 23 LYS N N 15 115.75 0.05 . 1 . . . A 16 LYS N . 18720 1 89 . 1 1 24 24 ILE C C 13 175.50 0.05 . 1 . . . A 17 ILE C . 18720 1 90 . 1 1 24 24 ILE CA C 13 60.44 0.05 . 1 . . . A 17 ILE CA . 18720 1 91 . 1 1 24 24 ILE CB C 13 38.96 0.05 . 1 . . . A 17 ILE CB . 18720 1 92 . 1 1 24 24 ILE CG1 C 13 27.94 0.05 . 1 . . . A 17 ILE CG1 . 18720 1 93 . 1 1 24 24 ILE CG2 C 13 17.98 0.05 . 1 . . . A 17 ILE CG2 . 18720 1 94 . 1 1 24 24 ILE CD1 C 13 12.04 0.05 . 1 . . . A 17 ILE CD1 . 18720 1 95 . 1 1 24 24 ILE N N 15 115.83 0.05 . 1 . . . A 17 ILE N . 18720 1 96 . 1 1 25 25 ASP CA C 13 49.74 0.05 . 1 . . . A 18 ASP CA . 18720 1 97 . 1 1 25 25 ASP CB C 13 40.71 0.05 . 1 . . . A 18 ASP CB . 18720 1 98 . 1 1 25 25 ASP N N 15 119.32 0.05 . 1 . . . A 18 ASP N . 18720 1 99 . 1 1 26 26 PRO CA C 13 63.60 0.05 . 1 . . . A 19 PRO CA . 18720 1 100 . 1 1 26 26 PRO CB C 13 32.01 0.05 . 1 . . . A 19 PRO CB . 18720 1 101 . 1 1 26 26 PRO CG C 13 26.63 0.05 . 1 . . . A 19 PRO CG . 18720 1 102 . 1 1 26 26 PRO CD C 13 50.61 0.05 . 1 . . . A 19 PRO CD . 18720 1 103 . 1 1 27 27 TYR C C 13 175.35 0.05 . 1 . . . A 20 TYR C . 18720 1 104 . 1 1 27 27 TYR CA C 13 57.81 0.05 . 1 . . . A 20 TYR CA . 18720 1 105 . 1 1 27 27 TYR CB C 13 37.14 0.05 . 1 . . . A 20 TYR CB . 18720 1 106 . 1 1 27 27 TYR N N 15 115.54 0.05 . 1 . . . A 20 TYR N . 18720 1 107 . 1 1 28 28 ALA C C 13 175.41 0.05 . 1 . . . A 21 ALA C . 18720 1 108 . 1 1 28 28 ALA CA C 13 54.33 0.05 . 1 . . . A 21 ALA CA . 18720 1 109 . 1 1 28 28 ALA CB C 13 20.69 0.05 . 1 . . . A 21 ALA CB . 18720 1 110 . 1 1 28 28 ALA N N 15 122.72 0.05 . 1 . . . A 21 ALA N . 18720 1 111 . 1 1 29 29 LYS C C 13 175.40 0.05 . 1 . . . A 22 LYS C . 18720 1 112 . 1 1 29 29 LYS CA C 13 56.82 0.05 . 1 . . . A 22 LYS CA . 18720 1 113 . 1 1 29 29 LYS CB C 13 35.86 0.05 . 1 . . . A 22 LYS CB . 18720 1 114 . 1 1 29 29 LYS CG C 13 24.68 0.05 . 1 . . . A 22 LYS CG . 18720 1 115 . 1 1 29 29 LYS CD C 13 29.36 0.05 . 1 . . . A 22 LYS CD . 18720 1 116 . 1 1 29 29 LYS CE C 13 41.99 0.05 . 1 . . . A 22 LYS CE . 18720 1 117 . 1 1 29 29 LYS N N 15 121.37 0.05 . 1 . . . A 22 LYS N . 18720 1 118 . 1 1 30 30 GLU C C 13 174.47 0.05 . 1 . . . A 23 GLU C . 18720 1 119 . 1 1 30 30 GLU CA C 13 55.33 0.05 . 1 . . . A 23 GLU CA . 18720 1 120 . 1 1 30 30 GLU CB C 13 33.04 0.05 . 1 . . . A 23 GLU CB . 18720 1 121 . 1 1 30 30 GLU CG C 13 35.49 0.05 . 1 . . . A 23 GLU CG . 18720 1 122 . 1 1 30 30 GLU N N 15 113.82 0.05 . 1 . . . A 23 GLU N . 18720 1 123 . 1 1 31 31 ILE C C 13 175.36 0.05 . 1 . . . A 24 ILE C . 18720 1 124 . 1 1 31 31 ILE CA C 13 62.77 0.05 . 1 . . . A 24 ILE CA . 18720 1 125 . 1 1 31 31 ILE CB C 13 38.61 0.05 . 1 . . . A 24 ILE CB . 18720 1 126 . 1 1 31 31 ILE CG1 C 13 29.71 0.05 . 1 . . . A 24 ILE CG1 . 18720 1 127 . 1 1 31 31 ILE CG2 C 13 18.64 0.05 . 1 . . . A 24 ILE CG2 . 18720 1 128 . 1 1 31 31 ILE CD1 C 13 13.60 0.05 . 1 . . . A 24 ILE CD1 . 18720 1 129 . 1 1 31 31 ILE N N 15 125.65 0.05 . 1 . . . A 24 ILE N . 18720 1 130 . 1 1 32 32 VAL C C 13 175.24 0.05 . 1 . . . A 25 VAL C . 18720 1 131 . 1 1 32 32 VAL CA C 13 63.62 0.05 . 1 . . . A 25 VAL CA . 18720 1 132 . 1 1 32 32 VAL CB C 13 33.34 0.05 . 1 . . . A 25 VAL CB . 18720 1 133 . 1 1 32 32 VAL CG1 C 13 21.23 0.05 . 1 . . . A 25 VAL CG1 . 18720 1 134 . 1 1 32 32 VAL CG2 C 13 21.52 0.05 . 1 . . . A 25 VAL CG2 . 18720 1 135 . 1 1 32 32 VAL N N 15 127.29 0.05 . 1 . . . A 25 VAL N . 18720 1 136 . 1 1 33 33 ASP C C 13 174.00 0.05 . 1 . . . A 26 ASP C . 18720 1 137 . 1 1 33 33 ASP CA C 13 53.03 0.05 . 1 . . . A 26 ASP CA . 18720 1 138 . 1 1 33 33 ASP CB C 13 44.71 0.05 . 1 . . . A 26 ASP CB . 18720 1 139 . 1 1 33 33 ASP N N 15 117.41 0.05 . 1 . . . A 26 ASP N . 18720 1 140 . 1 1 34 34 SER C C 13 172.42 0.05 . 1 . . . A 27 SER C . 18720 1 141 . 1 1 34 34 SER CA C 13 57.20 0.05 . 1 . . . A 27 SER CA . 18720 1 142 . 1 1 34 34 SER CB C 13 67.23 0.05 . 1 . . . A 27 SER CB . 18720 1 143 . 1 1 34 34 SER N N 15 115.60 0.05 . 1 . . . A 27 SER N . 18720 1 144 . 1 1 35 35 SER C C 13 176.14 0.05 . 1 . . . A 28 SER C . 18720 1 145 . 1 1 35 35 SER CA C 13 57.84 0.05 . 1 . . . A 28 SER CA . 18720 1 146 . 1 1 35 35 SER CB C 13 65.83 0.05 . 1 . . . A 28 SER CB . 18720 1 147 . 1 1 35 35 SER N N 15 113.82 0.05 . 1 . . . A 28 SER N . 18720 1 148 . 1 1 36 36 SER CA C 13 61.90 0.05 . 1 . . . A 29 SER CA . 18720 1 149 . 1 1 36 36 SER CB C 13 63.72 0.05 . 1 . . . A 29 SER CB . 18720 1 150 . 1 1 36 36 SER N N 15 121.67 0.05 . 1 . . . A 29 SER N . 18720 1 151 . 1 1 37 37 HIS CA C 13 56.63 0.05 . 1 . . . A 30 HIS CA . 18720 1 152 . 1 1 38 38 VAL C C 13 173.48 0.05 . 1 . . . A 31 VAL C . 18720 1 153 . 1 1 38 38 VAL CA C 13 60.33 0.05 . 1 . . . A 31 VAL CA . 18720 1 154 . 1 1 38 38 VAL CB C 13 36.54 0.05 . 1 . . . A 31 VAL CB . 18720 1 155 . 1 1 38 38 VAL CG1 C 13 21.66 0.05 . 1 . . . A 31 VAL CG1 . 18720 1 156 . 1 1 38 38 VAL CG2 C 13 23.16 0.05 . 1 . . . A 31 VAL CG2 . 18720 1 157 . 1 1 38 38 VAL N N 15 127.45 0.05 . 1 . . . A 31 VAL N . 18720 1 158 . 1 1 39 39 ALA C C 13 175.26 0.05 . 1 . . . A 32 ALA C . 18720 1 159 . 1 1 39 39 ALA CA C 13 50.81 0.05 . 1 . . . A 32 ALA CA . 18720 1 160 . 1 1 39 39 ALA CB C 13 23.02 0.05 . 1 . . . A 32 ALA CB . 18720 1 161 . 1 1 39 39 ALA N N 15 125.58 0.05 . 1 . . . A 32 ALA N . 18720 1 162 . 1 1 40 40 PHE C C 13 174.21 0.05 . 1 . . . A 33 PHE C . 18720 1 163 . 1 1 40 40 PHE CA C 13 56.05 0.05 . 1 . . . A 33 PHE CA . 18720 1 164 . 1 1 40 40 PHE CB C 13 41.02 0.05 . 1 . . . A 33 PHE CB . 18720 1 165 . 1 1 40 40 PHE N N 15 123.53 0.05 . 1 . . . A 33 PHE N . 18720 1 166 . 1 1 41 41 TYR C C 13 173.30 0.05 . 1 . . . A 34 TYR C . 18720 1 167 . 1 1 41 41 TYR CA C 13 57.50 0.05 . 1 . . . A 34 TYR CA . 18720 1 168 . 1 1 41 41 TYR CB C 13 44.15 0.05 . 1 . . . A 34 TYR CB . 18720 1 169 . 1 1 41 41 TYR N N 15 130.04 0.05 . 1 . . . A 34 TYR N . 18720 1 170 . 1 1 42 42 THR C C 13 172.15 0.05 . 1 . . . A 35 THR C . 18720 1 171 . 1 1 42 42 THR CA C 13 59.67 0.05 . 1 . . . A 35 THR CA . 18720 1 172 . 1 1 42 42 THR CB C 13 70.82 0.05 . 1 . . . A 35 THR CB . 18720 1 173 . 1 1 42 42 THR CG2 C 13 21.13 0.05 . 1 . . . A 35 THR CG2 . 18720 1 174 . 1 1 42 42 THR N N 15 109.08 0.05 . 1 . . . A 35 THR N . 18720 1 175 . 1 1 43 43 PHE HD1 H 1 6.58 0.02 . 1 . . . A 36 PHE HD1 . 18720 1 176 . 1 1 43 43 PHE HD2 H 1 6.58 0.02 . 1 . . . A 36 PHE HD2 . 18720 1 177 . 1 1 43 43 PHE C C 13 173.57 0.05 . 1 . . . A 36 PHE C . 18720 1 178 . 1 1 43 43 PHE CA C 13 57.91 0.05 . 1 . . . A 36 PHE CA . 18720 1 179 . 1 1 43 43 PHE CB C 13 38.77 0.05 . 1 . . . A 36 PHE CB . 18720 1 180 . 1 1 43 43 PHE N N 15 126.09 0.05 . 1 . . . A 36 PHE N . 18720 1 181 . 1 1 44 44 ASN C C 13 175.28 0.05 . 1 . . . A 37 ASN C . 18720 1 182 . 1 1 44 44 ASN CA C 13 51.53 0.05 . 1 . . . A 37 ASN CA . 18720 1 183 . 1 1 44 44 ASN CB C 13 37.73 0.05 . 1 . . . A 37 ASN CB . 18720 1 184 . 1 1 44 44 ASN N N 15 128.50 0.05 . 1 . . . A 37 ASN N . 18720 1 185 . 1 1 45 45 SER CB C 13 63.05 0.05 . 1 . . . A 38 SER CB . 18720 1 186 . 1 1 45 45 SER N N 15 121.88 0.05 . 1 . . . A 38 SER N . 18720 1 187 . 1 1 46 46 SER C C 13 175.41 0.05 . 1 . . . A 39 SER C . 18720 1 188 . 1 1 46 46 SER CA C 13 61.02 0.05 . 1 . . . A 39 SER CA . 18720 1 189 . 1 1 46 46 SER CB C 13 62.70 0.05 . 1 . . . A 39 SER CB . 18720 1 190 . 1 1 47 47 GLN C C 13 174.91 0.05 . 1 . . . A 40 GLN C . 18720 1 191 . 1 1 47 47 GLN CA C 13 54.80 0.05 . 1 . . . A 40 GLN CA . 18720 1 192 . 1 1 47 47 GLN CB C 13 29.81 0.05 . 1 . . . A 40 GLN CB . 18720 1 193 . 1 1 47 47 GLN CG C 13 33.75 0.05 . 1 . . . A 40 GLN CG . 18720 1 194 . 1 1 47 47 GLN N N 15 117.37 0.05 . 1 . . . A 40 GLN N . 18720 1 195 . 1 1 48 48 ASN C C 13 173.24 0.05 . 1 . . . A 41 ASN C . 18720 1 196 . 1 1 48 48 ASN CA C 13 54.20 0.05 . 1 . . . A 41 ASN CA . 18720 1 197 . 1 1 48 48 ASN CB C 13 37.64 0.05 . 1 . . . A 41 ASN CB . 18720 1 198 . 1 1 48 48 ASN N N 15 118.40 0.05 . 1 . . . A 41 ASN N . 18720 1 199 . 1 1 49 49 GLU C C 13 174.62 0.05 . 1 . . . A 42 GLU C . 18720 1 200 . 1 1 49 49 GLU CA C 13 54.11 0.05 . 1 . . . A 42 GLU CA . 18720 1 201 . 1 1 49 49 GLU CB C 13 34.45 0.05 . 1 . . . A 42 GLU CB . 18720 1 202 . 1 1 49 49 GLU CG C 13 35.09 0.05 . 1 . . . A 42 GLU CG . 18720 1 203 . 1 1 49 49 GLU N N 15 112.91 0.05 . 1 . . . A 42 GLU N . 18720 1 204 . 1 1 50 50 TRP C C 13 175.85 0.05 . 1 . . . A 43 TRP C . 18720 1 205 . 1 1 50 50 TRP CA C 13 57.64 0.05 . 1 . . . A 43 TRP CA . 18720 1 206 . 1 1 50 50 TRP CB C 13 31.61 0.05 . 1 . . . A 43 TRP CB . 18720 1 207 . 1 1 50 50 TRP N N 15 123.14 0.05 . 1 . . . A 43 TRP N . 18720 1 208 . 1 1 51 51 GLU C C 13 175.03 0.05 . 1 . . . A 44 GLU C . 18720 1 209 . 1 1 51 51 GLU CA C 13 55.12 0.05 . 1 . . . A 44 GLU CA . 18720 1 210 . 1 1 51 51 GLU CB C 13 32.11 0.05 . 1 . . . A 44 GLU CB . 18720 1 211 . 1 1 51 51 GLU CG C 13 36.85 0.05 . 1 . . . A 44 GLU CG . 18720 1 212 . 1 1 51 51 GLU N N 15 120.66 0.05 . 1 . . . A 44 GLU N . 18720 1 213 . 1 1 52 52 LYS C C 13 176.81 0.05 . 1 . . . A 45 LYS C . 18720 1 214 . 1 1 52 52 LYS CA C 13 56.96 0.05 . 1 . . . A 45 LYS CA . 18720 1 215 . 1 1 52 52 LYS CB C 13 33.34 0.05 . 1 . . . A 45 LYS CB . 18720 1 216 . 1 1 52 52 LYS CG C 13 25.04 0.05 . 1 . . . A 45 LYS CG . 18720 1 217 . 1 1 52 52 LYS CD C 13 29.33 0.05 . 1 . . . A 45 LYS CD . 18720 1 218 . 1 1 52 52 LYS N N 15 123.10 0.05 . 1 . . . A 45 LYS N . 18720 1 219 . 1 1 53 53 THR C C 13 174.13 0.05 . 1 . . . A 46 THR C . 18720 1 220 . 1 1 53 53 THR CA C 13 61.72 0.05 . 1 . . . A 46 THR CA . 18720 1 221 . 1 1 53 53 THR CB C 13 71.72 0.05 . 1 . . . A 46 THR CB . 18720 1 222 . 1 1 53 53 THR CG2 C 13 21.13 0.05 . 1 . . . A 46 THR CG2 . 18720 1 223 . 1 1 53 53 THR N N 15 114.57 0.05 . 1 . . . A 46 THR N . 18720 1 224 . 1 1 54 54 ASP C C 13 174.39 0.05 . 1 . . . A 47 ASP C . 18720 1 225 . 1 1 54 54 ASP CA C 13 53.91 0.05 . 1 . . . A 47 ASP CA . 18720 1 226 . 1 1 54 54 ASP CB C 13 39.87 0.05 . 1 . . . A 47 ASP CB . 18720 1 227 . 1 1 54 54 ASP N N 15 118.59 0.05 . 1 . . . A 47 ASP N . 18720 1 228 . 1 1 55 55 VAL C C 13 174.84 0.05 . 1 . . . A 48 VAL C . 18720 1 229 . 1 1 55 55 VAL CA C 13 62.36 0.05 . 1 . . . A 48 VAL CA . 18720 1 230 . 1 1 55 55 VAL CB C 13 32.39 0.05 . 1 . . . A 48 VAL CB . 18720 1 231 . 1 1 55 55 VAL CG1 C 13 21.26 0.05 . 1 . . . A 48 VAL CG1 . 18720 1 232 . 1 1 55 55 VAL CG2 C 13 20.19 0.05 . 1 . . . A 48 VAL CG2 . 18720 1 233 . 1 1 55 55 VAL N N 15 118.73 0.05 . 1 . . . A 48 VAL N . 18720 1 234 . 1 1 56 56 GLU C C 13 174.14 0.05 . 1 . . . A 49 GLU C . 18720 1 235 . 1 1 56 56 GLU CA C 13 55.23 0.05 . 1 . . . A 49 GLU CA . 18720 1 236 . 1 1 56 56 GLU CB C 13 32.87 0.05 . 1 . . . A 49 GLU CB . 18720 1 237 . 1 1 56 56 GLU CG C 13 36.01 0.05 . 1 . . . A 49 GLU CG . 18720 1 238 . 1 1 56 56 GLU N N 15 127.18 0.05 . 1 . . . A 49 GLU N . 18720 1 239 . 1 1 57 57 GLY C C 13 171.36 0.05 . 1 . . . A 50 GLY C . 18720 1 240 . 1 1 57 57 GLY CA C 13 45.72 0.05 . 1 . . . A 50 GLY CA . 18720 1 241 . 1 1 57 57 GLY N N 15 110.64 0.05 . 1 . . . A 50 GLY N . 18720 1 242 . 1 1 58 58 ALA C C 13 174.22 0.05 . 1 . . . A 51 ALA C . 18720 1 243 . 1 1 58 58 ALA CA C 13 52.67 0.05 . 1 . . . A 51 ALA CA . 18720 1 244 . 1 1 58 58 ALA CB C 13 20.27 0.05 . 1 . . . A 51 ALA CB . 18720 1 245 . 1 1 58 58 ALA N N 15 124.80 0.05 . 1 . . . A 51 ALA N . 18720 1 246 . 1 1 59 59 PHE HD1 H 1 6.52 0.02 . 1 . . . A 52 PHE HD1 . 18720 1 247 . 1 1 59 59 PHE HD2 H 1 6.52 0.02 . 1 . . . A 52 PHE HD2 . 18720 1 248 . 1 1 59 59 PHE HE1 H 1 6.13 0.02 . 1 . . . A 52 PHE HE1 . 18720 1 249 . 1 1 59 59 PHE HE2 H 1 6.13 0.02 . 1 . . . A 52 PHE HE2 . 18720 1 250 . 1 1 59 59 PHE C C 13 173.65 0.05 . 1 . . . A 52 PHE C . 18720 1 251 . 1 1 59 59 PHE CA C 13 55.92 0.05 . 1 . . . A 52 PHE CA . 18720 1 252 . 1 1 59 59 PHE CB C 13 43.70 0.05 . 1 . . . A 52 PHE CB . 18720 1 253 . 1 1 59 59 PHE N N 15 123.68 0.05 . 1 . . . A 52 PHE N . 18720 1 254 . 1 1 60 60 PHE HD1 H 1 7.28 0.02 . 1 . . . A 53 PHE HD1 . 18720 1 255 . 1 1 60 60 PHE HD2 H 1 7.28 0.02 . 1 . . . A 53 PHE HD2 . 18720 1 256 . 1 1 60 60 PHE HE1 H 1 6.52 0.02 . 1 . . . A 53 PHE HE1 . 18720 1 257 . 1 1 60 60 PHE HE2 H 1 6.52 0.02 . 1 . . . A 53 PHE HE2 . 18720 1 258 . 1 1 60 60 PHE C C 13 174.76 0.05 . 1 . . . A 53 PHE C . 18720 1 259 . 1 1 60 60 PHE CA C 13 56.52 0.05 . 1 . . . A 53 PHE CA . 18720 1 260 . 1 1 60 60 PHE CB C 13 43.42 0.05 . 1 . . . A 53 PHE CB . 18720 1 261 . 1 1 60 60 PHE N N 15 123.69 0.05 . 1 . . . A 53 PHE N . 18720 1 262 . 1 1 61 61 ILE C C 13 175.24 0.05 . 1 . . . A 54 ILE C . 18720 1 263 . 1 1 61 61 ILE CA C 13 59.49 0.05 . 1 . . . A 54 ILE CA . 18720 1 264 . 1 1 61 61 ILE CB C 13 38.89 0.05 . 1 . . . A 54 ILE CB . 18720 1 265 . 1 1 61 61 ILE CG1 C 13 28.05 0.05 . 1 . . . A 54 ILE CG1 . 18720 1 266 . 1 1 61 61 ILE CG2 C 13 16.72 0.05 . 1 . . . A 54 ILE CG2 . 18720 1 267 . 1 1 61 61 ILE CD1 C 13 13.83 0.05 . 1 . . . A 54 ILE CD1 . 18720 1 268 . 1 1 61 61 ILE N N 15 119.97 0.05 . 1 . . . A 54 ILE N . 18720 1 269 . 1 1 62 62 TYR HD1 H 1 6.67 0.02 . 1 . . . A 55 TYR HD1 . 18720 1 270 . 1 1 62 62 TYR HD2 H 1 6.67 0.02 . 1 . . . A 55 TYR HD2 . 18720 1 271 . 1 1 62 62 TYR C C 13 170.98 0.05 . 1 . . . A 55 TYR C . 18720 1 272 . 1 1 62 62 TYR CA C 13 55.32 0.05 . 1 . . . A 55 TYR CA . 18720 1 273 . 1 1 62 62 TYR CB C 13 41.98 0.05 . 1 . . . A 55 TYR CB . 18720 1 274 . 1 1 62 62 TYR N N 15 125.67 0.05 . 1 . . . A 55 TYR N . 18720 1 275 . 1 1 63 63 HIS C C 13 175.00 0.05 . 1 . . . A 56 HIS C . 18720 1 276 . 1 1 63 63 HIS CA C 13 52.73 0.05 . 1 . . . A 56 HIS CA . 18720 1 277 . 1 1 63 63 HIS CB C 13 33.30 0.05 . 1 . . . A 56 HIS CB . 18720 1 278 . 1 1 63 63 HIS N N 15 121.71 0.05 . 1 . . . A 56 HIS N . 18720 1 279 . 1 1 64 64 ARG C C 13 174.77 0.05 . 1 . . . A 57 ARG C . 18720 1 280 . 1 1 64 64 ARG CA C 13 55.03 0.05 . 1 . . . A 57 ARG CA . 18720 1 281 . 1 1 64 64 ARG CB C 13 35.09 0.05 . 1 . . . A 57 ARG CB . 18720 1 282 . 1 1 64 64 ARG CG C 13 30.60 0.05 . 1 . . . A 57 ARG CG . 18720 1 283 . 1 1 64 64 ARG CD C 13 41.23 0.05 . 1 . . . A 57 ARG CD . 18720 1 284 . 1 1 64 64 ARG N N 15 126.87 0.05 . 1 . . . A 57 ARG N . 18720 1 285 . 1 1 65 65 ASN C C 13 173.54 0.05 . 1 . . . A 58 ASN C . 18720 1 286 . 1 1 65 65 ASN CA C 13 52.77 0.05 . 1 . . . A 58 ASN CA . 18720 1 287 . 1 1 65 65 ASN CB C 13 39.18 0.05 . 1 . . . A 58 ASN CB . 18720 1 288 . 1 1 65 65 ASN N N 15 115.66 0.05 . 1 . . . A 58 ASN N . 18720 1 289 . 1 1 66 66 ALA C C 13 173.00 0.05 . 1 . . . A 59 ALA C . 18720 1 290 . 1 1 66 66 ALA CA C 13 50.34 0.05 . 1 . . . A 59 ALA CA . 18720 1 291 . 1 1 66 66 ALA CB C 13 21.88 0.05 . 1 . . . A 59 ALA CB . 18720 1 292 . 1 1 66 66 ALA N N 15 120.19 0.05 . 1 . . . A 59 ALA N . 18720 1 293 . 1 1 67 67 GLU CA C 13 54.51 0.05 . 1 . . . A 60 GLU CA . 18720 1 294 . 1 1 67 67 GLU CB C 13 29.67 0.05 . 1 . . . A 60 GLU CB . 18720 1 295 . 1 1 67 67 GLU CG C 13 36.20 0.05 . 1 . . . A 60 GLU CG . 18720 1 296 . 1 1 67 67 GLU N N 15 117.27 0.05 . 1 . . . A 60 GLU N . 18720 1 297 . 1 1 68 68 PRO CA C 13 62.06 0.05 . 1 . . . A 61 PRO CA . 18720 1 298 . 1 1 68 68 PRO CB C 13 33.63 0.05 . 1 . . . A 61 PRO CB . 18720 1 299 . 1 1 68 68 PRO CG C 13 25.25 0.05 . 1 . . . A 61 PRO CG . 18720 1 300 . 1 1 68 68 PRO CD C 13 50.55 0.05 . 1 . . . A 61 PRO CD . 18720 1 301 . 1 1 69 69 PHE C C 13 174.84 0.05 . 1 . . . A 62 PHE C . 18720 1 302 . 1 1 69 69 PHE CA C 13 60.78 0.05 . 1 . . . A 62 PHE CA . 18720 1 303 . 1 1 69 69 PHE CB C 13 39.22 0.05 . 1 . . . A 62 PHE CB . 18720 1 304 . 1 1 69 69 PHE N N 15 120.68 0.05 . 1 . . . A 62 PHE N . 18720 1 305 . 1 1 70 70 HIS C C 13 174.54 0.05 . 1 . . . A 63 HIS C . 18720 1 306 . 1 1 70 70 HIS CA C 13 55.99 0.05 . 1 . . . A 63 HIS CA . 18720 1 307 . 1 1 70 70 HIS CB C 13 34.33 0.05 . 1 . . . A 63 HIS CB . 18720 1 308 . 1 1 70 70 HIS N N 15 115.82 0.05 . 1 . . . A 63 HIS N . 18720 1 309 . 1 1 71 71 SER C C 13 169.62 0.05 . 1 . . . A 64 SER C . 18720 1 310 . 1 1 71 71 SER CA C 13 55.98 0.05 . 1 . . . A 64 SER CA . 18720 1 311 . 1 1 71 71 SER CB C 13 66.77 0.05 . 1 . . . A 64 SER CB . 18720 1 312 . 1 1 71 71 SER N N 15 114.04 0.05 . 1 . . . A 64 SER N . 18720 1 313 . 1 1 72 72 ILE C C 13 174.63 0.05 . 1 . . . A 65 ILE C . 18720 1 314 . 1 1 72 72 ILE CA C 13 60.22 0.05 . 1 . . . A 65 ILE CA . 18720 1 315 . 1 1 72 72 ILE CB C 13 40.59 0.05 . 1 . . . A 65 ILE CB . 18720 1 316 . 1 1 72 72 ILE CG1 C 13 28.50 0.05 . 1 . . . A 65 ILE CG1 . 18720 1 317 . 1 1 72 72 ILE CG2 C 13 18.01 0.05 . 1 . . . A 65 ILE CG2 . 18720 1 318 . 1 1 72 72 ILE CD1 C 13 13.14 0.05 . 1 . . . A 65 ILE CD1 . 18720 1 319 . 1 1 72 72 ILE N N 15 125.09 0.05 . 1 . . . A 65 ILE N . 18720 1 320 . 1 1 73 73 PHE HD1 H 1 6.67 0.02 . 1 . . . A 66 PHE HD1 . 18720 1 321 . 1 1 73 73 PHE HD2 H 1 6.67 0.02 . 1 . . . A 66 PHE HD2 . 18720 1 322 . 1 1 73 73 PHE C C 13 174.68 0.05 . 1 . . . A 66 PHE C . 18720 1 323 . 1 1 73 73 PHE CA C 13 55.30 0.05 . 1 . . . A 66 PHE CA . 18720 1 324 . 1 1 73 73 PHE CB C 13 45.03 0.05 . 1 . . . A 66 PHE CB . 18720 1 325 . 1 1 73 73 PHE N N 15 127.73 0.05 . 1 . . . A 66 PHE N . 18720 1 326 . 1 1 74 74 ILE C C 13 174.18 0.05 . 1 . . . A 67 ILE C . 18720 1 327 . 1 1 74 74 ILE CA C 13 59.67 0.05 . 1 . . . A 67 ILE CA . 18720 1 328 . 1 1 74 74 ILE CB C 13 40.72 0.05 . 1 . . . A 67 ILE CB . 18720 1 329 . 1 1 74 74 ILE CG1 C 13 28.11 0.05 . 1 . . . A 67 ILE CG1 . 18720 1 330 . 1 1 74 74 ILE CG2 C 13 16.17 0.05 . 1 . . . A 67 ILE CG2 . 18720 1 331 . 1 1 74 74 ILE CD1 C 13 13.73 0.05 . 1 . . . A 67 ILE CD1 . 18720 1 332 . 1 1 74 74 ILE N N 15 124.78 0.05 . 1 . . . A 67 ILE N . 18720 1 333 . 1 1 75 75 ASN C C 13 174.26 0.05 . 1 . . . A 68 ASN C . 18720 1 334 . 1 1 75 75 ASN CA C 13 51.07 0.05 . 1 . . . A 68 ASN CA . 18720 1 335 . 1 1 75 75 ASN CB C 13 39.00 0.05 . 1 . . . A 68 ASN CB . 18720 1 336 . 1 1 75 75 ASN N N 15 124.62 0.05 . 1 . . . A 68 ASN N . 18720 1 337 . 1 1 76 76 ASN C C 13 175.74 0.05 . 1 . . . A 69 ASN C . 18720 1 338 . 1 1 76 76 ASN CA C 13 53.20 0.05 . 1 . . . A 69 ASN CA . 18720 1 339 . 1 1 76 76 ASN CB C 13 39.52 0.05 . 1 . . . A 69 ASN CB . 18720 1 340 . 1 1 76 76 ASN N N 15 124.12 0.05 . 1 . . . A 69 ASN N . 18720 1 341 . 1 1 77 77 ARG CA C 13 56.96 0.05 . 1 . . . A 70 ARG CA . 18720 1 342 . 1 1 77 77 ARG CB C 13 31.06 0.05 . 1 . . . A 70 ARG CB . 18720 1 343 . 1 1 77 77 ARG CG C 13 27.24 0.05 . 1 . . . A 70 ARG CG . 18720 1 344 . 1 1 77 77 ARG N N 15 123.31 0.05 . 1 . . . A 70 ARG N . 18720 1 345 . 1 1 80 80 THR C C 13 175.31 0.05 . 1 . . . A 73 THR C . 18720 1 346 . 1 1 80 80 THR CA C 13 62.32 0.05 . 1 . . . A 73 THR CA . 18720 1 347 . 1 1 80 80 THR CB C 13 69.07 0.05 . 1 . . . A 73 THR CB . 18720 1 348 . 1 1 80 80 THR CG2 C 13 21.81 0.05 . 1 . . . A 73 THR CG2 . 18720 1 349 . 1 1 81 81 THR C C 13 173.81 0.05 . 1 . . . A 74 THR C . 18720 1 350 . 1 1 81 81 THR CA C 13 62.70 0.05 . 1 . . . A 74 THR CA . 18720 1 351 . 1 1 81 81 THR CB C 13 69.75 0.05 . 1 . . . A 74 THR CB . 18720 1 352 . 1 1 81 81 THR CG2 C 13 21.89 0.05 . 1 . . . A 74 THR CG2 . 18720 1 353 . 1 1 81 81 THR N N 15 119.01 0.05 . 1 . . . A 74 THR N . 18720 1 354 . 1 1 82 82 SER C C 13 172.25 0.05 . 1 . . . A 75 SER C . 18720 1 355 . 1 1 82 82 SER CA C 13 58.30 0.05 . 1 . . . A 75 SER CA . 18720 1 356 . 1 1 82 82 SER CB C 13 65.29 0.05 . 1 . . . A 75 SER CB . 18720 1 357 . 1 1 82 82 SER N N 15 120.75 0.05 . 1 . . . A 75 SER N . 18720 1 358 . 1 1 83 83 PHE HD1 H 1 6.75 0.02 . 1 . . . A 76 PHE HD1 . 18720 1 359 . 1 1 83 83 PHE HD2 H 1 6.75 0.02 . 1 . . . A 76 PHE HD2 . 18720 1 360 . 1 1 83 83 PHE C C 13 172.04 0.05 . 1 . . . A 76 PHE C . 18720 1 361 . 1 1 83 83 PHE CA C 13 57.78 0.05 . 1 . . . A 76 PHE CA . 18720 1 362 . 1 1 83 83 PHE CB C 13 43.30 0.05 . 1 . . . A 76 PHE CB . 18720 1 363 . 1 1 83 83 PHE N N 15 122.09 0.05 . 1 . . . A 76 PHE N . 18720 1 364 . 1 1 84 84 VAL C C 13 174.39 0.05 . 1 . . . A 77 VAL C . 18720 1 365 . 1 1 84 84 VAL CA C 13 59.74 0.05 . 1 . . . A 77 VAL CA . 18720 1 366 . 1 1 84 84 VAL CB C 13 35.61 0.05 . 1 . . . A 77 VAL CB . 18720 1 367 . 1 1 84 84 VAL CG1 C 13 21.86 0.05 . 1 . . . A 77 VAL CG1 . 18720 1 368 . 1 1 84 84 VAL CG2 C 13 21.86 0.05 . 1 . . . A 77 VAL CG2 . 18720 1 369 . 1 1 84 84 VAL N N 15 124.49 0.05 . 1 . . . A 77 VAL N . 18720 1 370 . 1 1 85 85 GLU CA C 13 52.12 0.05 . 1 . . . A 78 GLU CA . 18720 1 371 . 1 1 85 85 GLU CB C 13 33.79 0.05 . 1 . . . A 78 GLU CB . 18720 1 372 . 1 1 85 85 GLU CG C 13 35.71 0.05 . 1 . . . A 78 GLU CG . 18720 1 373 . 1 1 85 85 GLU N N 15 125.76 0.05 . 1 . . . A 78 GLU N . 18720 1 374 . 1 1 86 86 PRO CA C 13 62.77 0.05 . 1 . . . A 79 PRO CA . 18720 1 375 . 1 1 86 86 PRO CB C 13 32.56 0.05 . 1 . . . A 79 PRO CB . 18720 1 376 . 1 1 86 86 PRO CG C 13 27.26 0.05 . 1 . . . A 79 PRO CG . 18720 1 377 . 1 1 86 86 PRO CD C 13 51.20 0.05 . 1 . . . A 79 PRO CD . 18720 1 378 . 1 1 87 87 ILE C C 13 174.25 0.05 . 1 . . . A 80 ILE C . 18720 1 379 . 1 1 87 87 ILE CA C 13 61.42 0.05 . 1 . . . A 80 ILE CA . 18720 1 380 . 1 1 87 87 ILE CB C 13 36.64 0.05 . 1 . . . A 80 ILE CB . 18720 1 381 . 1 1 87 87 ILE CG1 C 13 27.59 0.05 . 1 . . . A 80 ILE CG1 . 18720 1 382 . 1 1 87 87 ILE CG2 C 13 17.60 0.05 . 1 . . . A 80 ILE CG2 . 18720 1 383 . 1 1 87 87 ILE CD1 C 13 13.83 0.05 . 1 . . . A 80 ILE CD1 . 18720 1 384 . 1 1 87 87 ILE N N 15 123.19 0.05 . 1 . . . A 80 ILE N . 18720 1 385 . 1 1 88 88 THR C C 13 174.14 0.05 . 1 . . . A 81 THR C . 18720 1 386 . 1 1 88 88 THR CA C 13 59.50 0.05 . 1 . . . A 81 THR CA . 18720 1 387 . 1 1 88 88 THR CB C 13 71.03 0.05 . 1 . . . A 81 THR CB . 18720 1 388 . 1 1 88 88 THR CG2 C 13 21.15 0.05 . 1 . . . A 81 THR CG2 . 18720 1 389 . 1 1 88 88 THR N N 15 115.84 0.05 . 1 . . . A 81 THR N . 18720 1 390 . 1 1 89 89 GLY C C 13 176.63 0.05 . 1 . . . A 82 GLY C . 18720 1 391 . 1 1 89 89 GLY CA C 13 46.42 0.05 . 1 . . . A 82 GLY CA . 18720 1 392 . 1 1 89 89 GLY N N 15 105.39 0.05 . 1 . . . A 82 GLY N . 18720 1 393 . 1 1 90 90 SER C C 13 173.41 0.05 . 1 . . . A 83 SER C . 18720 1 394 . 1 1 90 90 SER CA C 13 57.84 0.05 . 1 . . . A 83 SER CA . 18720 1 395 . 1 1 90 90 SER CB C 13 63.48 0.05 . 1 . . . A 83 SER CB . 18720 1 396 . 1 1 90 90 SER N N 15 113.78 0.05 . 1 . . . A 83 SER N . 18720 1 397 . 1 1 91 91 LEU C C 13 175.35 0.05 . 1 . . . A 84 LEU C . 18720 1 398 . 1 1 91 91 LEU CA C 13 56.13 0.05 . 1 . . . A 84 LEU CA . 18720 1 399 . 1 1 91 91 LEU CB C 13 42.69 0.05 . 1 . . . A 84 LEU CB . 18720 1 400 . 1 1 91 91 LEU CG C 13 27.08 0.05 . 1 . . . A 84 LEU CG . 18720 1 401 . 1 1 91 91 LEU CD1 C 13 25.97 0.05 . 2 . . . A 84 LEU CD1 . 18720 1 402 . 1 1 91 91 LEU CD2 C 13 24.30 0.05 . 2 . . . A 84 LEU CD2 . 18720 1 403 . 1 1 91 91 LEU N N 15 123.77 0.05 . 1 . . . A 84 LEU N . 18720 1 404 . 1 1 92 92 GLU C C 13 174.28 0.05 . 1 . . . A 85 GLU C . 18720 1 405 . 1 1 92 92 GLU CA C 13 54.87 0.05 . 1 . . . A 85 GLU CA . 18720 1 406 . 1 1 92 92 GLU CB C 13 33.42 0.05 . 1 . . . A 85 GLU CB . 18720 1 407 . 1 1 92 92 GLU CG C 13 36.48 0.05 . 1 . . . A 85 GLU CG . 18720 1 408 . 1 1 92 92 GLU N N 15 124.38 0.05 . 1 . . . A 85 GLU N . 18720 1 409 . 1 1 93 93 LEU C C 13 177.24 0.05 . 1 . . . A 86 LEU C . 18720 1 410 . 1 1 93 93 LEU CA C 13 54.49 0.05 . 1 . . . A 86 LEU CA . 18720 1 411 . 1 1 93 93 LEU CB C 13 46.12 0.05 . 1 . . . A 86 LEU CB . 18720 1 412 . 1 1 93 93 LEU CG C 13 27.68 0.05 . 1 . . . A 86 LEU CG . 18720 1 413 . 1 1 93 93 LEU CD1 C 13 25.78 0.05 . 2 . . . A 86 LEU CD1 . 18720 1 414 . 1 1 93 93 LEU CD2 C 13 25.59 0.05 . 2 . . . A 86 LEU CD2 . 18720 1 415 . 1 1 93 93 LEU N N 15 121.40 0.05 . 1 . . . A 86 LEU N . 18720 1 416 . 1 1 94 94 GLN C C 13 173.46 0.05 . 1 . . . A 87 GLN C . 18720 1 417 . 1 1 94 94 GLN CA C 13 56.08 0.05 . 1 . . . A 87 GLN CA . 18720 1 418 . 1 1 94 94 GLN CB C 13 31.77 0.05 . 1 . . . A 87 GLN CB . 18720 1 419 . 1 1 94 94 GLN CG C 13 34.18 0.05 . 1 . . . A 87 GLN CG . 18720 1 420 . 1 1 94 94 GLN N N 15 121.69 0.05 . 1 . . . A 87 GLN N . 18720 1 421 . 1 1 95 95 SER C C 13 174.93 0.05 . 1 . . . A 88 SER C . 18720 1 422 . 1 1 95 95 SER CA C 13 57.54 0.05 . 1 . . . A 88 SER CA . 18720 1 423 . 1 1 95 95 SER CB C 13 63.75 0.05 . 1 . . . A 88 SER CB . 18720 1 424 . 1 1 95 95 SER N N 15 120.00 0.05 . 1 . . . A 88 SER N . 18720 1 425 . 1 1 96 96 GLN CA C 13 53.62 0.05 . 1 . . . A 89 GLN CA . 18720 1 426 . 1 1 96 96 GLN CB C 13 29.50 0.05 . 1 . . . A 89 GLN CB . 18720 1 427 . 1 1 96 96 GLN CG C 13 33.60 0.05 . 1 . . . A 89 GLN CG . 18720 1 428 . 1 1 96 96 GLN N N 15 129.17 0.05 . 1 . . . A 89 GLN N . 18720 1 429 . 1 1 100 100 LEU C C 13 173.81 0.05 . 1 . . . A 93 LEU C . 18720 1 430 . 1 1 100 100 LEU CA C 13 53.89 0.05 . 1 . . . A 93 LEU CA . 18720 1 431 . 1 1 100 100 LEU CB C 13 45.79 0.05 . 1 . . . A 93 LEU CB . 18720 1 432 . 1 1 100 100 LEU CG C 13 27.85 0.05 . 1 . . . A 93 LEU CG . 18720 1 433 . 1 1 100 100 LEU CD1 C 13 24.68 0.05 . 2 . . . A 93 LEU CD1 . 18720 1 434 . 1 1 101 101 LEU C C 13 175.68 0.05 . 1 . . . A 94 LEU C . 18720 1 435 . 1 1 101 101 LEU CA C 13 54.97 0.05 . 1 . . . A 94 LEU CA . 18720 1 436 . 1 1 101 101 LEU CB C 13 44.28 0.05 . 1 . . . A 94 LEU CB . 18720 1 437 . 1 1 101 101 LEU CG C 13 28.38 0.05 . 1 . . . A 94 LEU CG . 18720 1 438 . 1 1 101 101 LEU CD1 C 13 26.79 0.05 . 2 . . . A 94 LEU CD1 . 18720 1 439 . 1 1 101 101 LEU N N 15 125.95 0.05 . 1 . . . A 94 LEU N . 18720 1 440 . 1 1 102 102 TYR HD1 H 1 6.54 0.02 . 1 . . . A 95 TYR HD1 . 18720 1 441 . 1 1 102 102 TYR HD2 H 1 6.54 0.02 . 1 . . . A 95 TYR HD2 . 18720 1 442 . 1 1 102 102 TYR C C 13 171.83 0.05 . 1 . . . A 95 TYR C . 18720 1 443 . 1 1 102 102 TYR CA C 13 57.12 0.05 . 1 . . . A 95 TYR CA . 18720 1 444 . 1 1 102 102 TYR CB C 13 41.61 0.05 . 1 . . . A 95 TYR CB . 18720 1 445 . 1 1 102 102 TYR N N 15 118.25 0.05 . 1 . . . A 95 TYR N . 18720 1 446 . 1 1 103 103 ARG CA C 13 53.20 0.05 . 1 . . . A 96 ARG CA . 18720 1 447 . 1 1 103 103 ARG CB C 13 32.98 0.05 . 1 . . . A 96 ARG CB . 18720 1 448 . 1 1 103 103 ARG CG C 13 24.67 0.05 . 1 . . . A 96 ARG CG . 18720 1 449 . 1 1 103 103 ARG CD C 13 42.10 0.05 . 1 . . . A 96 ARG CD . 18720 1 450 . 1 1 103 103 ARG N N 15 114.57 0.05 . 1 . . . A 96 ARG N . 18720 1 451 . 1 1 106 106 ARG C C 13 175.47 0.05 . 1 . . . A 99 ARG C . 18720 1 452 . 1 1 106 106 ARG CB C 13 29.38 0.05 . 1 . . . A 99 ARG CB . 18720 1 453 . 1 1 106 106 ARG CG C 13 26.88 0.05 . 1 . . . A 99 ARG CG . 18720 1 454 . 1 1 107 107 SER C C 13 173.62 0.05 . 1 . . . A 100 SER C . 18720 1 455 . 1 1 107 107 SER CA C 13 59.57 0.05 . 1 . . . A 100 SER CA . 18720 1 456 . 1 1 107 107 SER CB C 13 62.64 0.05 . 1 . . . A 100 SER CB . 18720 1 457 . 1 1 107 107 SER N N 15 110.46 0.05 . 1 . . . A 100 SER N . 18720 1 458 . 1 1 108 108 ARG C C 13 174.90 0.05 . 1 . . . A 101 ARG C . 18720 1 459 . 1 1 108 108 ARG CA C 13 55.51 0.05 . 1 . . . A 101 ARG CA . 18720 1 460 . 1 1 108 108 ARG CB C 13 30.47 0.05 . 1 . . . A 101 ARG CB . 18720 1 461 . 1 1 108 108 ARG CG C 13 27.06 0.05 . 1 . . . A 101 ARG CG . 18720 1 462 . 1 1 108 108 ARG CD C 13 43.35 0.05 . 1 . . . A 101 ARG CD . 18720 1 463 . 1 1 108 108 ARG N N 15 119.50 0.05 . 1 . . . A 101 ARG N . 18720 1 464 . 1 1 109 109 ILE C C 13 175.36 0.05 . 1 . . . A 102 ILE C . 18720 1 465 . 1 1 109 109 ILE CA C 13 61.67 0.05 . 1 . . . A 102 ILE CA . 18720 1 466 . 1 1 109 109 ILE CB C 13 38.73 0.05 . 1 . . . A 102 ILE CB . 18720 1 467 . 1 1 109 109 ILE CG1 C 13 27.54 0.05 . 1 . . . A 102 ILE CG1 . 18720 1 468 . 1 1 109 109 ILE CG2 C 13 17.65 0.05 . 1 . . . A 102 ILE CG2 . 18720 1 469 . 1 1 109 109 ILE CD1 C 13 14.35 0.05 . 1 . . . A 102 ILE CD1 . 18720 1 470 . 1 1 109 109 ILE N N 15 124.73 0.05 . 1 . . . A 102 ILE N . 18720 1 471 . 1 1 110 110 ARG C C 13 173.48 0.05 . 1 . . . A 103 ARG C . 18720 1 472 . 1 1 110 110 ARG CA C 13 54.83 0.05 . 1 . . . A 103 ARG CA . 18720 1 473 . 1 1 110 110 ARG CB C 13 36.29 0.05 . 1 . . . A 103 ARG CB . 18720 1 474 . 1 1 110 110 ARG CG C 13 28.73 0.05 . 1 . . . A 103 ARG CG . 18720 1 475 . 1 1 110 110 ARG CD C 13 43.92 0.05 . 1 . . . A 103 ARG CD . 18720 1 476 . 1 1 110 110 ARG N N 15 130.77 0.05 . 1 . . . A 103 ARG N . 18720 1 477 . 1 1 111 111 GLY C C 13 170.89 0.05 . 1 . . . A 104 GLY C . 18720 1 478 . 1 1 111 111 GLY CA C 13 46.44 0.05 . 1 . . . A 104 GLY CA . 18720 1 479 . 1 1 111 111 GLY N N 15 104.77 0.05 . 1 . . . A 104 GLY N . 18720 1 480 . 1 1 112 112 PHE C C 13 173.92 0.05 . 1 . . . A 105 PHE C . 18720 1 481 . 1 1 112 112 PHE CA C 13 54.66 0.05 . 1 . . . A 105 PHE CA . 18720 1 482 . 1 1 112 112 PHE CB C 13 43.22 0.05 . 1 . . . A 105 PHE CB . 18720 1 483 . 1 1 112 112 PHE N N 15 118.12 0.05 . 1 . . . A 105 PHE N . 18720 1 484 . 1 1 113 113 TRP CA C 13 56.41 0.05 . 1 . . . A 106 TRP CA . 18720 1 485 . 1 1 113 113 TRP CB C 13 31.88 0.05 . 1 . . . A 106 TRP CB . 18720 1 486 . 1 1 113 113 TRP N N 15 124.29 0.05 . 1 . . . A 106 TRP N . 18720 1 487 . 1 1 117 117 SER C C 13 175.24 0.05 . 1 . . . A 110 SER C . 18720 1 488 . 1 1 117 117 SER CA C 13 62.92 0.05 . 1 . . . A 110 SER CA . 18720 1 489 . 1 1 117 117 SER CB C 13 64.98 0.05 . 1 . . . A 110 SER CB . 18720 1 490 . 1 1 118 118 GLU C C 13 179.15 0.05 . 1 . . . A 111 GLU C . 18720 1 491 . 1 1 118 118 GLU CA C 13 59.54 0.05 . 1 . . . A 111 GLU CA . 18720 1 492 . 1 1 118 118 GLU CB C 13 28.57 0.05 . 1 . . . A 111 GLU CB . 18720 1 493 . 1 1 118 118 GLU CG C 13 36.68 0.05 . 1 . . . A 111 GLU CG . 18720 1 494 . 1 1 118 118 GLU N N 15 122.31 0.05 . 1 . . . A 111 GLU N . 18720 1 495 . 1 1 119 119 GLU C C 13 176.36 0.05 . 1 . . . A 112 GLU C . 18720 1 496 . 1 1 119 119 GLU CA C 13 58.08 0.05 . 1 . . . A 112 GLU CA . 18720 1 497 . 1 1 119 119 GLU CB C 13 30.24 0.05 . 1 . . . A 112 GLU CB . 18720 1 498 . 1 1 119 119 GLU CG C 13 37.02 0.05 . 1 . . . A 112 GLU CG . 18720 1 499 . 1 1 119 119 GLU N N 15 118.92 0.05 . 1 . . . A 112 GLU N . 18720 1 500 . 1 1 120 120 CYS C C 13 176.11 0.05 . 1 . . . A 113 CYS C . 18720 1 501 . 1 1 120 120 CYS CA C 13 61.50 0.05 . 1 . . . A 113 CYS CA . 18720 1 502 . 1 1 120 120 CYS CB C 13 26.80 0.05 . 1 . . . A 113 CYS CB . 18720 1 503 . 1 1 120 120 CYS N N 15 117.09 0.05 . 1 . . . A 113 CYS N . 18720 1 504 . 1 1 121 121 ASP C C 13 178.46 0.05 . 1 . . . A 114 ASP C . 18720 1 505 . 1 1 121 121 ASP CA C 13 57.34 0.05 . 1 . . . A 114 ASP CA . 18720 1 506 . 1 1 121 121 ASP CB C 13 41.07 0.05 . 1 . . . A 114 ASP CB . 18720 1 507 . 1 1 121 121 ASP N N 15 118.82 0.05 . 1 . . . A 114 ASP N . 18720 1 508 . 1 1 122 122 ARG C C 13 179.44 0.05 . 1 . . . A 115 ARG C . 18720 1 509 . 1 1 122 122 ARG CA C 13 59.65 0.05 . 1 . . . A 115 ARG CA . 18720 1 510 . 1 1 122 122 ARG CB C 13 30.70 0.05 . 1 . . . A 115 ARG CB . 18720 1 511 . 1 1 122 122 ARG CG C 13 28.83 0.05 . 1 . . . A 115 ARG CG . 18720 1 512 . 1 1 122 122 ARG CD C 13 42.55 0.05 . 1 . . . A 115 ARG CD . 18720 1 513 . 1 1 122 122 ARG N N 15 120.87 0.05 . 1 . . . A 115 ARG N . 18720 1 514 . 1 1 123 123 ILE C C 13 177.68 0.05 . 1 . . . A 116 ILE C . 18720 1 515 . 1 1 123 123 ILE CA C 13 61.94 0.05 . 1 . . . A 116 ILE CA . 18720 1 516 . 1 1 123 123 ILE CB C 13 34.72 0.05 . 1 . . . A 116 ILE CB . 18720 1 517 . 1 1 123 123 ILE CG1 C 13 27.98 0.05 . 1 . . . A 116 ILE CG1 . 18720 1 518 . 1 1 123 123 ILE CG2 C 13 18.23 0.05 . 1 . . . A 116 ILE CG2 . 18720 1 519 . 1 1 123 123 ILE CD1 C 13 8.76 0.05 . 1 . . . A 116 ILE CD1 . 18720 1 520 . 1 1 123 123 ILE N N 15 119.50 0.05 . 1 . . . A 116 ILE N . 18720 1 521 . 1 1 124 124 SER C C 13 176.72 0.05 . 1 . . . A 117 SER C . 18720 1 522 . 1 1 124 124 SER CA C 13 62.63 0.05 . 1 . . . A 117 SER CA . 18720 1 523 . 1 1 124 124 SER CB C 13 62.66 0.05 . 1 . . . A 117 SER CB . 18720 1 524 . 1 1 124 124 SER N N 15 115.89 0.05 . 1 . . . A 117 SER N . 18720 1 525 . 1 1 125 125 GLY C C 13 176.57 0.05 . 1 . . . A 118 GLY C . 18720 1 526 . 1 1 125 125 GLY CA C 13 47.09 0.05 . 1 . . . A 118 GLY CA . 18720 1 527 . 1 1 125 125 GLY N N 15 107.28 0.05 . 1 . . . A 118 GLY N . 18720 1 528 . 1 1 126 126 LEU C C 13 179.47 0.05 . 1 . . . A 119 LEU C . 18720 1 529 . 1 1 126 126 LEU CA C 13 57.81 0.05 . 1 . . . A 119 LEU CA . 18720 1 530 . 1 1 126 126 LEU CB C 13 42.31 0.05 . 1 . . . A 119 LEU CB . 18720 1 531 . 1 1 126 126 LEU CG C 13 27.68 0.05 . 1 . . . A 119 LEU CG . 18720 1 532 . 1 1 126 126 LEU CD1 C 13 24.46 0.05 . 1 . . . A 119 LEU CD1 . 18720 1 533 . 1 1 126 126 LEU CD2 C 13 26.36 0.05 . 1 . . . A 119 LEU CD2 . 18720 1 534 . 1 1 126 126 LEU N N 15 124.45 0.05 . 1 . . . A 119 LEU N . 18720 1 535 . 1 1 127 127 VAL C C 13 177.38 0.05 . 1 . . . A 120 VAL C . 18720 1 536 . 1 1 127 127 VAL CA C 13 67.43 0.05 . 1 . . . A 120 VAL CA . 18720 1 537 . 1 1 127 127 VAL CB C 13 30.87 0.05 . 1 . . . A 120 VAL CB . 18720 1 538 . 1 1 127 127 VAL CG1 C 13 22.55 0.05 . 1 . . . A 120 VAL CG1 . 18720 1 539 . 1 1 127 127 VAL CG2 C 13 23.47 0.05 . 1 . . . A 120 VAL CG2 . 18720 1 540 . 1 1 127 127 VAL N N 15 119.14 0.05 . 1 . . . A 120 VAL N . 18720 1 541 . 1 1 128 128 ASN C C 13 178.33 0.05 . 1 . . . A 121 ASN C . 18720 1 542 . 1 1 128 128 ASN CA C 13 56.67 0.05 . 1 . . . A 121 ASN CA . 18720 1 543 . 1 1 128 128 ASN CB C 13 38.56 0.05 . 1 . . . A 121 ASN CB . 18720 1 544 . 1 1 128 128 ASN N N 15 116.65 0.05 . 1 . . . A 121 ASN N . 18720 1 545 . 1 1 129 129 GLY C C 13 176.19 0.05 . 1 . . . A 122 GLY C . 18720 1 546 . 1 1 129 129 GLY CA C 13 46.78 0.05 . 1 . . . A 122 GLY CA . 18720 1 547 . 1 1 129 129 GLY N N 15 105.95 0.05 . 1 . . . A 122 GLY N . 18720 1 548 . 1 1 130 130 LEU C C 13 179.06 0.05 . 1 . . . A 123 LEU C . 18720 1 549 . 1 1 130 130 LEU CA C 13 56.39 0.05 . 1 . . . A 123 LEU CA . 18720 1 550 . 1 1 130 130 LEU CB C 13 41.59 0.05 . 1 . . . A 123 LEU CB . 18720 1 551 . 1 1 130 130 LEU CG C 13 25.47 0.05 . 1 . . . A 123 LEU CG . 18720 1 552 . 1 1 130 130 LEU CD1 C 13 20.67 0.05 . 2 . . . A 123 LEU CD1 . 18720 1 553 . 1 1 130 130 LEU N N 15 121.51 0.05 . 1 . . . A 123 LEU N . 18720 1 554 . 1 1 131 131 LEU C C 13 177.88 0.05 . 1 . . . A 124 LEU C . 18720 1 555 . 1 1 131 131 LEU CA C 13 56.28 0.05 . 1 . . . A 124 LEU CA . 18720 1 556 . 1 1 131 131 LEU CB C 13 42.30 0.05 . 1 . . . A 124 LEU CB . 18720 1 557 . 1 1 131 131 LEU CG C 13 26.78 0.05 . 1 . . . A 124 LEU CG . 18720 1 558 . 1 1 131 131 LEU CD1 C 13 25.82 0.05 . 1 . . . A 124 LEU CD1 . 18720 1 559 . 1 1 131 131 LEU CD2 C 13 23.88 0.05 . 1 . . . A 124 LEU CD2 . 18720 1 560 . 1 1 131 131 LEU N N 15 119.08 0.05 . 1 . . . A 124 LEU N . 18720 1 561 . 1 1 132 132 LYS C C 13 176.54 0.05 . 1 . . . A 125 LYS C . 18720 1 562 . 1 1 132 132 LYS CA C 13 56.47 0.05 . 1 . . . A 125 LYS CA . 18720 1 563 . 1 1 132 132 LYS CB C 13 32.73 0.05 . 1 . . . A 125 LYS CB . 18720 1 564 . 1 1 132 132 LYS CG C 13 24.81 0.05 . 1 . . . A 125 LYS CG . 18720 1 565 . 1 1 132 132 LYS CD C 13 28.98 0.05 . 1 . . . A 125 LYS CD . 18720 1 566 . 1 1 132 132 LYS CE C 13 42.10 0.05 . 1 . . . A 125 LYS CE . 18720 1 567 . 1 1 132 132 LYS N N 15 118.60 0.05 . 1 . . . A 125 LYS N . 18720 1 568 . 1 1 133 133 SER C C 13 173.59 0.05 . 1 . . . A 126 SER C . 18720 1 569 . 1 1 133 133 SER CA C 13 58.55 0.05 . 1 . . . A 126 SER CA . 18720 1 570 . 1 1 133 133 SER CB C 13 63.88 0.05 . 1 . . . A 126 SER CB . 18720 1 571 . 1 1 133 133 SER N N 15 116.57 0.05 . 1 . . . A 126 SER N . 18720 1 572 . 1 1 134 134 LYS CA C 13 57.70 0.05 . 1 . . . A 127 LYS CA . 18720 1 573 . 1 1 134 134 LYS CB C 13 33.48 0.05 . 1 . . . A 127 LYS CB . 18720 1 574 . 1 1 134 134 LYS CG C 13 24.67 0.05 . 1 . . . A 127 LYS CG . 18720 1 575 . 1 1 134 134 LYS CD C 13 29.22 0.05 . 1 . . . A 127 LYS CD . 18720 1 576 . 1 1 134 134 LYS CE C 13 41.07 0.05 . 1 . . . A 127 LYS CE . 18720 1 577 . 1 1 134 134 LYS N N 15 128.13 0.05 . 1 . . . A 127 LYS N . 18720 1 578 . 2 2 3 3 GLN C C 13 175.40 0.05 . 1 . . . . 3 GLN C . 18720 1 579 . 2 2 3 3 GLN CA C 13 55.56 0.05 . 1 . . . . 3 GLN CA . 18720 1 580 . 2 2 3 3 GLN CB C 13 29.19 0.05 . 1 . . . . 3 GLN CB . 18720 1 581 . 2 2 3 3 GLN CG C 13 33.89 0.05 . 1 . . . . 3 GLN CG . 18720 1 582 . 2 2 4 4 ASP CA C 13 52.56 0.05 . 1 . . . . 4 ASP CA . 18720 1 583 . 2 2 4 4 ASP CB C 13 40.87 0.05 . 1 . . . . 4 ASP CB . 18720 1 584 . 2 2 4 4 ASP N N 15 123.11 0.05 . 1 . . . . 4 ASP N . 18720 1 585 . 2 2 11 11 ARG C C 13 175.40 0.05 . 1 . . . . 11 ARG C . 18720 1 586 . 2 2 11 11 ARG CA C 13 55.64 0.05 . 1 . . . . 11 ARG CA . 18720 1 587 . 2 2 11 11 ARG CB C 13 30.12 0.05 . 1 . . . . 11 ARG CB . 18720 1 588 . 2 2 12 12 ALA CA C 13 50.34 0.05 . 1 . . . . 12 ALA CA . 18720 1 589 . 2 2 12 12 ALA CB C 13 17.97 0.05 . 1 . . . . 12 ALA CB . 18720 1 590 . 2 2 12 12 ALA N N 15 126.60 0.05 . 1 . . . . 12 ALA N . 18720 1 591 . 2 2 16 16 GLY C C 13 173.96 0.05 . 1 . . . . 16 GLY C . 18720 1 592 . 2 2 16 16 GLY CA C 13 45.49 0.05 . 1 . . . . 16 GLY CA . 18720 1 593 . 2 2 17 17 GLN C C 13 175.43 0.05 . 1 . . . . 17 GLN C . 18720 1 594 . 2 2 17 17 GLN CA C 13 55.66 0.05 . 1 . . . . 17 GLN CA . 18720 1 595 . 2 2 17 17 GLN CB C 13 29.47 0.05 . 1 . . . . 17 GLN CB . 18720 1 596 . 2 2 17 17 GLN CG C 13 33.73 0.05 . 1 . . . . 17 GLN CG . 18720 1 597 . 2 2 17 17 GLN N N 15 119.57 0.05 . 1 . . . . 17 GLN N . 18720 1 598 . 2 2 18 18 MET CA C 13 53.33 0.05 . 1 . . . . 18 MET CA . 18720 1 599 . 2 2 18 18 MET CB C 13 32.70 0.05 . 1 . . . . 18 MET CB . 18720 1 600 . 2 2 18 18 MET CG C 13 34.00 0.05 . 1 . . . . 18 MET CG . 18720 1 601 . 2 2 18 18 MET CE C 13 16.82 0.05 . 1 . . . . 18 MET CE . 18720 1 602 . 2 2 18 18 MET N N 15 123.33 0.05 . 1 . . . . 18 MET N . 18720 1 603 . 2 2 19 19 PRO CA C 13 62.10 0.05 . 1 . . . . 19 PRO CA . 18720 1 604 . 2 2 19 19 PRO CB C 13 31.84 0.05 . 1 . . . . 19 PRO CB . 18720 1 605 . 2 2 19 19 PRO CG C 13 26.79 0.05 . 1 . . . . 19 PRO CG . 18720 1 606 . 2 2 19 19 PRO CD C 13 50.48 0.05 . 1 . . . . 19 PRO CD . 18720 1 607 . 2 2 20 20 ASN C C 13 174.05 0.05 . 1 . . . . 20 ASN C . 18720 1 608 . 2 2 20 20 ASN CA C 13 52.44 0.05 . 1 . . . . 20 ASN CA . 18720 1 609 . 2 2 20 20 ASN CB C 13 37.77 0.05 . 1 . . . . 20 ASN CB . 18720 1 610 . 2 2 20 20 ASN N N 15 118.36 0.05 . 1 . . . . 20 ASN N . 18720 1 611 . 2 2 21 21 LEU CA C 13 52.51 0.05 . 1 . . . . 21 LEU CA . 18720 1 612 . 2 2 21 21 LEU CB C 13 40.25 0.05 . 1 . . . . 21 LEU CB . 18720 1 613 . 2 2 21 21 LEU CG C 13 25.99 0.05 . 1 . . . . 21 LEU CG . 18720 1 614 . 2 2 21 21 LEU CD1 C 13 23.79 0.05 . 2 . . . . 21 LEU CD1 . 18720 1 615 . 2 2 21 21 LEU CD2 C 13 22.32 0.05 . 2 . . . . 21 LEU CD2 . 18720 1 616 . 2 2 21 21 LEU N N 15 124.90 0.05 . 1 . . . . 21 LEU N . 18720 1 617 . 2 2 27 27 PHE C C 13 177.87 0.05 . 1 . . . . 27 PHE C . 18720 1 618 . 2 2 28 28 TRP C C 13 178.94 0.05 . 1 . . . . 28 TRP C . 18720 1 619 . 2 2 28 28 TRP CA C 13 58.34 0.05 . 1 . . . . 28 TRP CA . 18720 1 620 . 2 2 28 28 TRP CB C 13 28.73 0.05 . 1 . . . . 28 TRP CB . 18720 1 621 . 2 2 28 28 TRP N N 15 117.52 0.05 . 1 . . . . 28 TRP N . 18720 1 622 . 2 2 29 29 GLN C C 13 178.01 0.05 . 1 . . . . 29 GLN C . 18720 1 623 . 2 2 29 29 GLN CA C 13 59.24 0.05 . 1 . . . . 29 GLN CA . 18720 1 624 . 2 2 29 29 GLN CB C 13 28.93 0.05 . 1 . . . . 29 GLN CB . 18720 1 625 . 2 2 29 29 GLN CG C 13 33.95 0.05 . 1 . . . . 29 GLN CG . 18720 1 626 . 2 2 29 29 GLN N N 15 119.32 0.05 . 1 . . . . 29 GLN N . 18720 1 627 . 2 2 30 30 GLN C C 13 178.69 0.05 . 1 . . . . 30 GLN C . 18720 1 628 . 2 2 30 30 GLN CA C 13 58.28 0.05 . 1 . . . . 30 GLN CA . 18720 1 629 . 2 2 30 30 GLN CB C 13 28.45 0.05 . 1 . . . . 30 GLN CB . 18720 1 630 . 2 2 30 30 GLN CG C 13 34.08 0.05 . 1 . . . . 30 GLN CG . 18720 1 631 . 2 2 30 30 GLN N N 15 118.18 0.05 . 1 . . . . 30 GLN N . 18720 1 632 . 2 2 31 31 GLU C C 13 177.98 0.05 . 1 . . . . 31 GLU C . 18720 1 633 . 2 2 31 31 GLU CA C 13 58.76 0.05 . 1 . . . . 31 GLU CA . 18720 1 634 . 2 2 31 31 GLU CB C 13 29.44 0.05 . 1 . . . . 31 GLU CB . 18720 1 635 . 2 2 31 31 GLU CG C 13 36.83 0.05 . 1 . . . . 31 GLU CG . 18720 1 636 . 2 2 31 31 GLU N N 15 119.29 0.05 . 1 . . . . 31 GLU N . 18720 1 637 . 2 2 32 32 ALA C C 13 179.04 0.05 . 1 . . . . 32 ALA C . 18720 1 638 . 2 2 32 32 ALA CA C 13 54.28 0.05 . 1 . . . . 32 ALA CA . 18720 1 639 . 2 2 32 32 ALA CB C 13 18.54 0.05 . 1 . . . . 32 ALA CB . 18720 1 640 . 2 2 32 32 ALA N N 15 121.89 0.05 . 1 . . . . 32 ALA N . 18720 1 641 . 2 2 33 33 GLN C C 13 177.13 0.05 . 1 . . . . 33 GLN C . 18720 1 642 . 2 2 33 33 GLN CA C 13 57.18 0.05 . 1 . . . . 33 GLN CA . 18720 1 643 . 2 2 33 33 GLN CB C 13 28.93 0.05 . 1 . . . . 33 GLN CB . 18720 1 644 . 2 2 33 33 GLN CG C 13 34.11 0.05 . 1 . . . . 33 GLN CG . 18720 1 645 . 2 2 33 33 GLN N N 15 116.75 0.05 . 1 . . . . 33 GLN N . 18720 1 646 . 2 2 34 34 LYS CA C 13 57.35 0.05 . 1 . . . . 34 LYS CA . 18720 1 647 . 2 2 34 34 LYS CB C 13 32.62 0.05 . 1 . . . . 34 LYS CB . 18720 1 648 . 2 2 34 34 LYS CG C 13 24.80 0.05 . 1 . . . . 34 LYS CG . 18720 1 649 . 2 2 34 34 LYS CD C 13 29.05 0.05 . 1 . . . . 34 LYS CD . 18720 1 650 . 2 2 34 34 LYS CE C 13 42.06 0.05 . 1 . . . . 34 LYS CE . 18720 1 651 . 2 2 34 34 LYS N N 15 120.08 0.05 . 1 . . . . 34 LYS N . 18720 1 652 . 2 2 36 36 GLU C C 13 175.89 0.05 . 1 . . . . 36 GLU C . 18720 1 653 . 2 2 36 36 GLU CA C 13 56.77 0.05 . 1 . . . . 36 GLU CA . 18720 1 654 . 2 2 36 36 GLU CB C 13 30.28 0.05 . 1 . . . . 36 GLU CB . 18720 1 655 . 2 2 36 36 GLU CG C 13 36.30 0.05 . 1 . . . . 36 GLU CG . 18720 1 656 . 2 2 37 37 ALA C C 13 176.41 0.05 . 1 . . . . 37 ALA C . 18720 1 657 . 2 2 37 37 ALA CA C 13 52.17 0.05 . 1 . . . . 37 ALA CA . 18720 1 658 . 2 2 37 37 ALA CB C 13 19.06 0.05 . 1 . . . . 37 ALA CB . 18720 1 659 . 2 2 37 37 ALA N N 15 124.47 0.05 . 1 . . . . 37 ALA N . 18720 1 660 . 2 2 38 38 LEU CA C 13 56.68 0.05 . 1 . . . . 38 LEU CA . 18720 1 661 . 2 2 38 38 LEU CB C 13 43.25 0.05 . 1 . . . . 38 LEU CB . 18720 1 662 . 2 2 38 38 LEU CG C 13 27.19 0.05 . 1 . . . . 38 LEU CG . 18720 1 663 . 2 2 38 38 LEU CD1 C 13 25.15 0.05 . 2 . . . . 38 LEU CD1 . 18720 1 664 . 2 2 38 38 LEU CD2 C 13 23.52 0.05 . 2 . . . . 38 LEU CD2 . 18720 1 665 . 2 2 38 38 LEU N N 15 127.38 0.05 . 1 . . . . 38 LEU N . 18720 1 stop_ save_