data_18348 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18348 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for EB1 CH domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-26 _Entry.Accession_date 2012-03-26 _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 Teppei Kanaba . . . 18348 2 Masaki Mishima . . . 18348 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18348 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 18348 '15N chemical shifts' 126 18348 '1H chemical shifts' 126 18348 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 . . 2013-02-11 2012-03-26 update BMRB 'update entry citation' 18348 1 . . 2012-11-15 2012-03-26 original author 'original release' 18348 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18348 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23128140 _Citation.Full_citation . _Citation.Title 'Microtubule-binding sites of the CH domain of EB1 and its autoinhibition revealed by NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1834 _Citation.Journal_issue 2 _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 499 _Citation.Page_last 507 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Teppei Kanaba . . . 18348 1 2 Ryoko Maesaki . . . 18348 1 3 Tomoyuki Mori . . . 18348 1 4 Yutaka Ito . . . 18348 1 5 Toshio Hakoshima . . . 18348 1 6 Masaki Mishima . . . 18348 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CH domain' 18348 1 EB1 18348 1 microtubule 18348 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18348 _Assembly.ID 1 _Assembly.Name 'EB1 CH domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15000 _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 'EB1 CH domain' 1 $EB1_CH_domain A . no native no no . . . 18348 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EB1_CH_domain _Entity.Sf_category entity _Entity.Sf_framecode EB1_CH_domain _Entity.Entry_ID 18348 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EB1_CH_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGMAVNVYSTSVTSDNLSR HDMLAWINESLQLNLTKIEQ LCSGAAYCQFMDMLFPGSIA LKKVKFQAKLEHEYIQNFKI LQAGFKRMGVDKIIPVDKLV KGKFQDNFEFVQWFKKFFDA NYDGKDYDPVAAR ; _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 . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1PA7 . "Crystal Structure Of Amino-Terminal Microtubule Binding Domain Of Eb1" . . . . . 97.74 130 100.00 100.00 4.21e-90 . . . . 18348 1 2 no PDB 1UEG . "Crystal Structure Of Amino-Terminal Microtubule Binding Domain Of Eb1" . . . . . 97.74 130 100.00 100.00 4.21e-90 . . . . 18348 1 3 no PDB 1VKA . "Southeast Collaboratory For Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment" . . . . . 100.00 153 97.74 97.74 5.95e-90 . . . . 18348 1 4 no PDB 2R8U . "Structure Of Fragment Of Human End-Binding Protein 1 (Eb1) Containing The N-Terminal Domain At 1.35 A Resolution" . . . . . 97.74 268 100.00 100.00 1.40e-89 . . . . 18348 1 5 no DBJ BAE32461 . "unnamed protein product [Mus musculus]" . . . . . 97.74 268 99.23 100.00 4.40e-89 . . . . 18348 1 6 no DBJ BAE89438 . "unnamed protein product [Macaca fascicularis]" . . . . . 97.74 268 100.00 100.00 1.52e-89 . . . . 18348 1 7 no DBJ BAG35484 . "unnamed protein product [Homo sapiens]" . . . . . 97.74 268 100.00 100.00 1.40e-89 . . . . 18348 1 8 no DBJ BAG73401 . "microtubule-associated protein, RP/EB family, member 1 [synthetic construct]" . . . . . 97.74 268 100.00 100.00 1.40e-89 . . . . 18348 1 9 no EMBL CAG31466 . "hypothetical protein RCJMB04_6l6 [Gallus gallus]" . . . . . 97.74 258 96.92 99.23 9.43e-88 . . . . 18348 1 10 no EMBL CAH92115 . "hypothetical protein [Pongo abelii]" . . . . . 97.74 268 100.00 100.00 1.64e-89 . . . . 18348 1 11 no GB AAA96320 . "APC-binding protein EB1 homolog [Mus musculus]" . . . . . 97.74 268 99.23 100.00 4.40e-89 . . . . 18348 1 12 no GB AAC09471 . "EB1 [Homo sapiens]" . . . . . 97.74 268 100.00 100.00 1.40e-89 . . . . 18348 1 13 no GB AAH52405 . "Mapre1 protein, partial [Mus musculus]" . . . . . 99.25 271 98.48 99.24 6.48e-90 . . . . 18348 1 14 no GB AAH64444 . "Mapre1 protein [Mus musculus]" . . . . . 97.74 268 99.23 100.00 4.40e-89 . . . . 18348 1 15 no GB AAH81726 . "Microtubule-associated protein, RP/EB family, member 1 [Rattus norvegicus]" . . . . . 97.74 268 99.23 100.00 6.96e-89 . . . . 18348 1 16 no REF NP_001026031 . "microtubule-associated protein RP/EB family member 1 [Gallus gallus]" . . . . . 97.74 258 96.92 99.23 9.43e-88 . . . . 18348 1 17 no REF NP_001038078 . "microtubule-associated protein RP/EB family member 1 [Sus scrofa]" . . . . . 97.74 268 100.00 100.00 1.93e-89 . . . . 18348 1 18 no REF NP_001068802 . "microtubule-associated protein RP/EB family member 1 [Bos taurus]" . . . . . 97.74 268 99.23 100.00 4.80e-89 . . . . 18348 1 19 no REF NP_001126236 . "microtubule-associated protein RP/EB family member 1 [Pongo abelii]" . . . . . 97.74 268 100.00 100.00 1.64e-89 . . . . 18348 1 20 no REF NP_001238875 . "microtubule-associated protein RP/EB family member 1 [Canis lupus familiaris]" . . . . . 97.74 268 100.00 100.00 1.53e-89 . . . . 18348 1 21 no SP Q15691 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 97.74 268 100.00 100.00 1.40e-89 . . . . 18348 1 22 no SP Q3ZBD9 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 97.74 268 99.23 100.00 4.80e-89 . . . . 18348 1 23 no SP Q5R7Z5 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 97.74 268 100.00 100.00 1.64e-89 . . . . 18348 1 24 no SP Q5ZLC7 . "RecName: Full=Microtubule-associated protein RP/EB family member 1" . . . . . 97.74 258 96.92 99.23 9.43e-88 . . . . 18348 1 25 no SP Q61166 . "RecName: Full=Microtubule-associated protein RP/EB family member 1; AltName: Full=APC-binding protein EB1; AltName: Full=End-bi" . . . . . 97.74 268 99.23 100.00 4.40e-89 . . . . 18348 1 26 no TPG DAA23186 . "TPA: microtubule-associated protein RP/EB family member 1 [Bos taurus]" . . . . . 97.74 270 99.23 100.00 7.50e-89 . . . . 18348 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 -2 GLY . 18348 1 2 -1 PRO . 18348 1 3 0 GLY . 18348 1 4 1 MET . 18348 1 5 2 ALA . 18348 1 6 3 VAL . 18348 1 7 4 ASN . 18348 1 8 5 VAL . 18348 1 9 6 TYR . 18348 1 10 7 SER . 18348 1 11 8 THR . 18348 1 12 9 SER . 18348 1 13 10 VAL . 18348 1 14 11 THR . 18348 1 15 12 SER . 18348 1 16 13 ASP . 18348 1 17 14 ASN . 18348 1 18 15 LEU . 18348 1 19 16 SER . 18348 1 20 17 ARG . 18348 1 21 18 HIS . 18348 1 22 19 ASP . 18348 1 23 20 MET . 18348 1 24 21 LEU . 18348 1 25 22 ALA . 18348 1 26 23 TRP . 18348 1 27 24 ILE . 18348 1 28 25 ASN . 18348 1 29 26 GLU . 18348 1 30 27 SER . 18348 1 31 28 LEU . 18348 1 32 29 GLN . 18348 1 33 30 LEU . 18348 1 34 31 ASN . 18348 1 35 32 LEU . 18348 1 36 33 THR . 18348 1 37 34 LYS . 18348 1 38 35 ILE . 18348 1 39 36 GLU . 18348 1 40 37 GLN . 18348 1 41 38 LEU . 18348 1 42 39 CYS . 18348 1 43 40 SER . 18348 1 44 41 GLY . 18348 1 45 42 ALA . 18348 1 46 43 ALA . 18348 1 47 44 TYR . 18348 1 48 45 CYS . 18348 1 49 46 GLN . 18348 1 50 47 PHE . 18348 1 51 48 MET . 18348 1 52 49 ASP . 18348 1 53 50 MET . 18348 1 54 51 LEU . 18348 1 55 52 PHE . 18348 1 56 53 PRO . 18348 1 57 54 GLY . 18348 1 58 55 SER . 18348 1 59 56 ILE . 18348 1 60 57 ALA . 18348 1 61 58 LEU . 18348 1 62 59 LYS . 18348 1 63 60 LYS . 18348 1 64 61 VAL . 18348 1 65 62 LYS . 18348 1 66 63 PHE . 18348 1 67 64 GLN . 18348 1 68 65 ALA . 18348 1 69 66 LYS . 18348 1 70 67 LEU . 18348 1 71 68 GLU . 18348 1 72 69 HIS . 18348 1 73 70 GLU . 18348 1 74 71 TYR . 18348 1 75 72 ILE . 18348 1 76 73 GLN . 18348 1 77 74 ASN . 18348 1 78 75 PHE . 18348 1 79 76 LYS . 18348 1 80 77 ILE . 18348 1 81 78 LEU . 18348 1 82 79 GLN . 18348 1 83 80 ALA . 18348 1 84 81 GLY . 18348 1 85 82 PHE . 18348 1 86 83 LYS . 18348 1 87 84 ARG . 18348 1 88 85 MET . 18348 1 89 86 GLY . 18348 1 90 87 VAL . 18348 1 91 88 ASP . 18348 1 92 89 LYS . 18348 1 93 90 ILE . 18348 1 94 91 ILE . 18348 1 95 92 PRO . 18348 1 96 93 VAL . 18348 1 97 94 ASP . 18348 1 98 95 LYS . 18348 1 99 96 LEU . 18348 1 100 97 VAL . 18348 1 101 98 LYS . 18348 1 102 99 GLY . 18348 1 103 100 LYS . 18348 1 104 101 PHE . 18348 1 105 102 GLN . 18348 1 106 103 ASP . 18348 1 107 104 ASN . 18348 1 108 105 PHE . 18348 1 109 106 GLU . 18348 1 110 107 PHE . 18348 1 111 108 VAL . 18348 1 112 109 GLN . 18348 1 113 110 TRP . 18348 1 114 111 PHE . 18348 1 115 112 LYS . 18348 1 116 113 LYS . 18348 1 117 114 PHE . 18348 1 118 115 PHE . 18348 1 119 116 ASP . 18348 1 120 117 ALA . 18348 1 121 118 ASN . 18348 1 122 119 TYR . 18348 1 123 120 ASP . 18348 1 124 121 GLY . 18348 1 125 122 LYS . 18348 1 126 123 ASP . 18348 1 127 124 TYR . 18348 1 128 125 ASP . 18348 1 129 126 PRO . 18348 1 130 127 VAL . 18348 1 131 128 ALA . 18348 1 132 129 ALA . 18348 1 133 130 ARG . 18348 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 18348 1 . PRO 2 2 18348 1 . GLY 3 3 18348 1 . MET 4 4 18348 1 . ALA 5 5 18348 1 . VAL 6 6 18348 1 . ASN 7 7 18348 1 . VAL 8 8 18348 1 . TYR 9 9 18348 1 . SER 10 10 18348 1 . THR 11 11 18348 1 . SER 12 12 18348 1 . VAL 13 13 18348 1 . THR 14 14 18348 1 . SER 15 15 18348 1 . ASP 16 16 18348 1 . ASN 17 17 18348 1 . LEU 18 18 18348 1 . SER 19 19 18348 1 . ARG 20 20 18348 1 . HIS 21 21 18348 1 . ASP 22 22 18348 1 . MET 23 23 18348 1 . LEU 24 24 18348 1 . ALA 25 25 18348 1 . TRP 26 26 18348 1 . ILE 27 27 18348 1 . ASN 28 28 18348 1 . GLU 29 29 18348 1 . SER 30 30 18348 1 . LEU 31 31 18348 1 . GLN 32 32 18348 1 . LEU 33 33 18348 1 . ASN 34 34 18348 1 . LEU 35 35 18348 1 . THR 36 36 18348 1 . LYS 37 37 18348 1 . ILE 38 38 18348 1 . GLU 39 39 18348 1 . GLN 40 40 18348 1 . LEU 41 41 18348 1 . CYS 42 42 18348 1 . SER 43 43 18348 1 . GLY 44 44 18348 1 . ALA 45 45 18348 1 . ALA 46 46 18348 1 . TYR 47 47 18348 1 . CYS 48 48 18348 1 . GLN 49 49 18348 1 . PHE 50 50 18348 1 . MET 51 51 18348 1 . ASP 52 52 18348 1 . MET 53 53 18348 1 . LEU 54 54 18348 1 . PHE 55 55 18348 1 . PRO 56 56 18348 1 . GLY 57 57 18348 1 . SER 58 58 18348 1 . ILE 59 59 18348 1 . ALA 60 60 18348 1 . LEU 61 61 18348 1 . LYS 62 62 18348 1 . LYS 63 63 18348 1 . VAL 64 64 18348 1 . LYS 65 65 18348 1 . PHE 66 66 18348 1 . GLN 67 67 18348 1 . ALA 68 68 18348 1 . LYS 69 69 18348 1 . LEU 70 70 18348 1 . GLU 71 71 18348 1 . HIS 72 72 18348 1 . GLU 73 73 18348 1 . TYR 74 74 18348 1 . ILE 75 75 18348 1 . GLN 76 76 18348 1 . ASN 77 77 18348 1 . PHE 78 78 18348 1 . LYS 79 79 18348 1 . ILE 80 80 18348 1 . LEU 81 81 18348 1 . GLN 82 82 18348 1 . ALA 83 83 18348 1 . GLY 84 84 18348 1 . PHE 85 85 18348 1 . LYS 86 86 18348 1 . ARG 87 87 18348 1 . MET 88 88 18348 1 . GLY 89 89 18348 1 . VAL 90 90 18348 1 . ASP 91 91 18348 1 . LYS 92 92 18348 1 . ILE 93 93 18348 1 . ILE 94 94 18348 1 . PRO 95 95 18348 1 . VAL 96 96 18348 1 . ASP 97 97 18348 1 . LYS 98 98 18348 1 . LEU 99 99 18348 1 . VAL 100 100 18348 1 . LYS 101 101 18348 1 . GLY 102 102 18348 1 . LYS 103 103 18348 1 . PHE 104 104 18348 1 . GLN 105 105 18348 1 . ASP 106 106 18348 1 . ASN 107 107 18348 1 . PHE 108 108 18348 1 . GLU 109 109 18348 1 . PHE 110 110 18348 1 . VAL 111 111 18348 1 . GLN 112 112 18348 1 . TRP 113 113 18348 1 . PHE 114 114 18348 1 . LYS 115 115 18348 1 . LYS 116 116 18348 1 . PHE 117 117 18348 1 . PHE 118 118 18348 1 . ASP 119 119 18348 1 . ALA 120 120 18348 1 . ASN 121 121 18348 1 . TYR 122 122 18348 1 . ASP 123 123 18348 1 . GLY 124 124 18348 1 . LYS 125 125 18348 1 . ASP 126 126 18348 1 . TYR 127 127 18348 1 . ASP 128 128 18348 1 . PRO 129 129 18348 1 . VAL 130 130 18348 1 . ALA 131 131 18348 1 . ALA 132 132 18348 1 . ARG 133 133 18348 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18348 _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 $EB1_CH_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18348 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 18348 _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 $EB1_CH_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET47b . . . . . . 18348 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18348 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'EB1 CH domain' '[U-13C; U-15N]' . . 1 $EB1_CH_domain . . 1.0 . . mM . . . . 18348 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18348 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18348 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 18348 _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' 0.4 . M 18348 1 pH 7.0 . pH 18348 1 pressure 1 . atm 18348 1 temperature 303 . K 18348 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18348 _Software.ID 1 _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' . . 18348 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18348 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 18348 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18348 _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 . . . 18348 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 18348 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18348 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18348 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18348 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18348 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18348 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 18348 _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 . . . . . . . . . 18348 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18348 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18348 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 18348 _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' . . . 18348 1 2 '3D HNCACB' . . . 18348 1 3 '3D CBCA(CO)NH' . . . 18348 1 4 '3D HN(CA)CO' . . . 18348 1 5 '3D HNCO' . . . 18348 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 4 4 MET H H 1 7.814 0.04 . 1 . . . . 1 MET H . 18348 1 2 . 1 1 4 4 MET C C 13 175.493 0.40 . 1 . . . . 1 MET C . 18348 1 3 . 1 1 4 4 MET CA C 13 54.471 0.40 . 1 . . . . 1 MET CA . 18348 1 4 . 1 1 4 4 MET CB C 13 34.225 0.40 . 1 . . . . 1 MET CB . 18348 1 5 . 1 1 4 4 MET N N 15 119.946 0.40 . 1 . . . . 1 MET N . 18348 1 6 . 1 1 5 5 ALA H H 1 8.232 0.04 . 1 . . . . 2 ALA H . 18348 1 7 . 1 1 5 5 ALA C C 13 176.777 0.40 . 1 . . . . 2 ALA C . 18348 1 8 . 1 1 5 5 ALA CA C 13 52.210 0.40 . 1 . . . . 2 ALA CA . 18348 1 9 . 1 1 5 5 ALA CB C 13 20.441 0.40 . 1 . . . . 2 ALA CB . 18348 1 10 . 1 1 5 5 ALA N N 15 124.213 0.40 . 1 . . . . 2 ALA N . 18348 1 11 . 1 1 6 6 VAL H H 1 9.422 0.04 . 1 . . . . 3 VAL H . 18348 1 12 . 1 1 6 6 VAL C C 13 176.051 0.40 . 1 . . . . 3 VAL C . 18348 1 13 . 1 1 6 6 VAL CA C 13 62.726 0.40 . 1 . . . . 3 VAL CA . 18348 1 14 . 1 1 6 6 VAL CB C 13 32.014 0.40 . 1 . . . . 3 VAL CB . 18348 1 15 . 1 1 6 6 VAL N N 15 124.566 0.40 . 1 . . . . 3 VAL N . 18348 1 16 . 1 1 7 7 ASN H H 1 8.383 0.04 . 1 . . . . 4 ASN H . 18348 1 17 . 1 1 7 7 ASN C C 13 174.682 0.40 . 1 . . . . 4 ASN C . 18348 1 18 . 1 1 7 7 ASN CA C 13 53.914 0.40 . 1 . . . . 4 ASN CA . 18348 1 19 . 1 1 7 7 ASN CB C 13 41.174 0.40 . 1 . . . . 4 ASN CB . 18348 1 20 . 1 1 7 7 ASN N N 15 125.237 0.40 . 1 . . . . 4 ASN N . 18348 1 21 . 1 1 8 8 VAL H H 1 8.655 0.04 . 1 . . . . 5 VAL H . 18348 1 22 . 1 1 8 8 VAL C C 13 174.914 0.40 . 1 . . . . 5 VAL C . 18348 1 23 . 1 1 8 8 VAL CA C 13 61.161 0.40 . 1 . . . . 5 VAL CA . 18348 1 24 . 1 1 8 8 VAL CB C 13 34.709 0.40 . 1 . . . . 5 VAL CB . 18348 1 25 . 1 1 8 8 VAL N N 15 119.368 0.40 . 1 . . . . 5 VAL N . 18348 1 26 . 1 1 9 9 TYR H H 1 8.652 0.04 . 1 . . . . 6 TYR H . 18348 1 27 . 1 1 9 9 TYR C C 13 175.967 0.40 . 1 . . . . 6 TYR C . 18348 1 28 . 1 1 9 9 TYR CA C 13 57.410 0.40 . 1 . . . . 6 TYR CA . 18348 1 29 . 1 1 9 9 TYR CB C 13 39.918 0.40 . 1 . . . . 6 TYR CB . 18348 1 30 . 1 1 9 9 TYR N N 15 126.409 0.40 . 1 . . . . 6 TYR N . 18348 1 31 . 1 1 11 11 THR H H 1 8.118 0.04 . 1 . . . . 8 THR H . 18348 1 32 . 1 1 11 11 THR C C 13 174.710 0.40 . 1 . . . . 8 THR C . 18348 1 33 . 1 1 11 11 THR CA C 13 61.599 0.40 . 1 . . . . 8 THR CA . 18348 1 34 . 1 1 11 11 THR CB C 13 69.861 0.40 . 1 . . . . 8 THR CB . 18348 1 35 . 1 1 11 11 THR N N 15 115.754 0.40 . 1 . . . . 8 THR N . 18348 1 36 . 1 1 12 12 SER H H 1 8.218 0.04 . 1 . . . . 9 SER H . 18348 1 37 . 1 1 12 12 SER C C 13 174.420 0.40 . 1 . . . . 9 SER C . 18348 1 38 . 1 1 12 12 SER CA C 13 58.983 0.40 . 1 . . . . 9 SER CA . 18348 1 39 . 1 1 12 12 SER CB C 13 63.579 0.40 . 1 . . . . 9 SER CB . 18348 1 40 . 1 1 12 12 SER N N 15 118.906 0.40 . 1 . . . . 9 SER N . 18348 1 41 . 1 1 13 13 VAL H H 1 8.067 0.04 . 1 . . . . 10 VAL H . 18348 1 42 . 1 1 13 13 VAL C C 13 176.428 0.40 . 1 . . . . 10 VAL C . 18348 1 43 . 1 1 13 13 VAL CA C 13 62.672 0.40 . 1 . . . . 10 VAL CA . 18348 1 44 . 1 1 13 13 VAL CB C 13 32.301 0.40 . 1 . . . . 10 VAL CB . 18348 1 45 . 1 1 13 13 VAL N N 15 123.058 0.40 . 1 . . . . 10 VAL N . 18348 1 46 . 1 1 14 14 THR H H 1 8.148 0.04 . 1 . . . . 11 THR H . 18348 1 47 . 1 1 14 14 THR C C 13 174.944 0.40 . 1 . . . . 11 THR C . 18348 1 48 . 1 1 14 14 THR CA C 13 61.873 0.40 . 1 . . . . 11 THR CA . 18348 1 49 . 1 1 14 14 THR CB C 13 69.830 0.40 . 1 . . . . 11 THR CB . 18348 1 50 . 1 1 14 14 THR N N 15 118.326 0.40 . 1 . . . . 11 THR N . 18348 1 51 . 1 1 15 15 SER H H 1 8.134 0.04 . 1 . . . . 12 SER H . 18348 1 52 . 1 1 15 15 SER C C 13 173.964 0.40 . 1 . . . . 12 SER C . 18348 1 53 . 1 1 15 15 SER CA C 13 58.851 0.40 . 1 . . . . 12 SER CA . 18348 1 54 . 1 1 15 15 SER CB C 13 63.624 0.40 . 1 . . . . 12 SER CB . 18348 1 55 . 1 1 15 15 SER N N 15 118.858 0.40 . 1 . . . . 12 SER N . 18348 1 56 . 1 1 16 16 ASP H H 1 8.190 0.04 . 1 . . . . 13 ASP H . 18348 1 57 . 1 1 16 16 ASP C C 13 175.767 0.40 . 1 . . . . 13 ASP C . 18348 1 58 . 1 1 16 16 ASP CA C 13 54.256 0.40 . 1 . . . . 13 ASP CA . 18348 1 59 . 1 1 16 16 ASP CB C 13 40.819 0.40 . 1 . . . . 13 ASP CB . 18348 1 60 . 1 1 16 16 ASP N N 15 122.956 0.40 . 1 . . . . 13 ASP N . 18348 1 61 . 1 1 17 17 ASN H H 1 8.117 0.04 . 1 . . . . 14 ASN H . 18348 1 62 . 1 1 17 17 ASN C C 13 175.299 0.40 . 1 . . . . 14 ASN C . 18348 1 63 . 1 1 17 17 ASN CA C 13 53.262 0.40 . 1 . . . . 14 ASN CA . 18348 1 64 . 1 1 17 17 ASN CB C 13 38.985 0.40 . 1 . . . . 14 ASN CB . 18348 1 65 . 1 1 17 17 ASN N N 15 121.010 0.40 . 1 . . . . 14 ASN N . 18348 1 66 . 1 1 18 18 LEU H H 1 8.188 0.04 . 1 . . . . 15 LEU H . 18348 1 67 . 1 1 18 18 LEU C C 13 177.982 0.40 . 1 . . . . 15 LEU C . 18348 1 68 . 1 1 18 18 LEU CA C 13 54.974 0.40 . 1 . . . . 15 LEU CA . 18348 1 69 . 1 1 18 18 LEU CB C 13 43.674 0.40 . 1 . . . . 15 LEU CB . 18348 1 70 . 1 1 18 18 LEU N N 15 123.978 0.40 . 1 . . . . 15 LEU N . 18348 1 71 . 1 1 19 19 SER H H 1 9.195 0.04 . 1 . . . . 16 SER H . 18348 1 72 . 1 1 19 19 SER C C 13 175.169 0.40 . 1 . . . . 16 SER C . 18348 1 73 . 1 1 19 19 SER CA C 13 57.639 0.40 . 1 . . . . 16 SER CA . 18348 1 74 . 1 1 19 19 SER CB C 13 65.297 0.40 . 1 . . . . 16 SER CB . 18348 1 75 . 1 1 19 19 SER N N 15 119.715 0.40 . 1 . . . . 16 SER N . 18348 1 76 . 1 1 20 20 ARG H H 1 9.277 0.04 . 1 . . . . 17 ARG H . 18348 1 77 . 1 1 20 20 ARG C C 13 177.055 0.40 . 1 . . . . 17 ARG C . 18348 1 78 . 1 1 20 20 ARG CA C 13 60.425 0.40 . 1 . . . . 17 ARG CA . 18348 1 79 . 1 1 20 20 ARG CB C 13 29.576 0.40 . 1 . . . . 17 ARG CB . 18348 1 80 . 1 1 20 20 ARG N N 15 122.520 0.40 . 1 . . . . 17 ARG N . 18348 1 81 . 1 1 21 21 HIS H H 1 8.015 0.04 . 1 . . . . 18 HIS H . 18348 1 82 . 1 1 21 21 HIS C C 13 178.217 0.40 . 1 . . . . 18 HIS C . 18348 1 83 . 1 1 21 21 HIS CA C 13 59.668 0.40 . 1 . . . . 18 HIS CA . 18348 1 84 . 1 1 21 21 HIS CB C 13 29.860 0.40 . 1 . . . . 18 HIS CB . 18348 1 85 . 1 1 21 21 HIS N N 15 118.697 0.40 . 1 . . . . 18 HIS N . 18348 1 86 . 1 1 22 22 ASP H H 1 7.970 0.04 . 1 . . . . 19 ASP H . 18348 1 87 . 1 1 22 22 ASP C C 13 179.100 0.40 . 1 . . . . 19 ASP C . 18348 1 88 . 1 1 22 22 ASP CA C 13 57.247 0.40 . 1 . . . . 19 ASP CA . 18348 1 89 . 1 1 22 22 ASP CB C 13 40.215 0.40 . 1 . . . . 19 ASP CB . 18348 1 90 . 1 1 22 22 ASP N N 15 123.307 0.40 . 1 . . . . 19 ASP N . 18348 1 91 . 1 1 23 23 MET H H 1 8.787 0.04 . 1 . . . . 20 MET H . 18348 1 92 . 1 1 23 23 MET C C 13 178.084 0.40 . 1 . . . . 20 MET C . 18348 1 93 . 1 1 23 23 MET CA C 13 57.666 0.40 . 1 . . . . 20 MET CA . 18348 1 94 . 1 1 23 23 MET CB C 13 31.784 0.40 . 1 . . . . 20 MET CB . 18348 1 95 . 1 1 23 23 MET N N 15 123.297 0.40 . 1 . . . . 20 MET N . 18348 1 96 . 1 1 24 24 LEU H H 1 8.062 0.04 . 1 . . . . 21 LEU H . 18348 1 97 . 1 1 24 24 LEU C C 13 177.687 0.40 . 1 . . . . 21 LEU C . 18348 1 98 . 1 1 24 24 LEU CA C 13 58.057 0.40 . 1 . . . . 21 LEU CA . 18348 1 99 . 1 1 24 24 LEU CB C 13 41.505 0.40 . 1 . . . . 21 LEU CB . 18348 1 100 . 1 1 24 24 LEU N N 15 120.356 0.40 . 1 . . . . 21 LEU N . 18348 1 101 . 1 1 25 25 ALA H H 1 7.904 0.04 . 1 . . . . 22 ALA H . 18348 1 102 . 1 1 25 25 ALA C C 13 179.820 0.40 . 1 . . . . 22 ALA C . 18348 1 103 . 1 1 25 25 ALA CA C 13 55.509 0.40 . 1 . . . . 22 ALA CA . 18348 1 104 . 1 1 25 25 ALA CB C 13 17.805 0.40 . 1 . . . . 22 ALA CB . 18348 1 105 . 1 1 25 25 ALA N N 15 121.660 0.40 . 1 . . . . 22 ALA N . 18348 1 106 . 1 1 26 26 TRP H H 1 7.760 0.04 . 1 . . . . 23 TRP H . 18348 1 107 . 1 1 26 26 TRP C C 13 178.795 0.40 . 1 . . . . 23 TRP C . 18348 1 108 . 1 1 26 26 TRP CA C 13 60.854 0.40 . 1 . . . . 23 TRP CA . 18348 1 109 . 1 1 26 26 TRP CB C 13 26.599 0.40 . 1 . . . . 23 TRP CB . 18348 1 110 . 1 1 26 26 TRP N N 15 121.016 0.40 . 1 . . . . 23 TRP N . 18348 1 111 . 1 1 27 27 ILE H H 1 8.025 0.04 . 1 . . . . 24 ILE H . 18348 1 112 . 1 1 27 27 ILE C C 13 176.827 0.40 . 1 . . . . 24 ILE C . 18348 1 113 . 1 1 27 27 ILE CA C 13 65.415 0.40 . 1 . . . . 24 ILE CA . 18348 1 114 . 1 1 27 27 ILE CB C 13 38.190 0.40 . 1 . . . . 24 ILE CB . 18348 1 115 . 1 1 27 27 ILE N N 15 124.389 0.40 . 1 . . . . 24 ILE N . 18348 1 116 . 1 1 28 28 ASN H H 1 8.642 0.04 . 1 . . . . 25 ASN H . 18348 1 117 . 1 1 28 28 ASN C C 13 179.415 0.40 . 1 . . . . 25 ASN C . 18348 1 118 . 1 1 28 28 ASN CA C 13 55.909 0.40 . 1 . . . . 25 ASN CA . 18348 1 119 . 1 1 28 28 ASN CB C 13 37.318 0.40 . 1 . . . . 25 ASN CB . 18348 1 120 . 1 1 28 28 ASN N N 15 119.237 0.40 . 1 . . . . 25 ASN N . 18348 1 121 . 1 1 29 29 GLU H H 1 8.448 0.04 . 1 . . . . 26 GLU H . 18348 1 122 . 1 1 29 29 GLU C C 13 178.967 0.40 . 1 . . . . 26 GLU C . 18348 1 123 . 1 1 29 29 GLU CA C 13 58.761 0.40 . 1 . . . . 26 GLU CA . 18348 1 124 . 1 1 29 29 GLU CB C 13 29.617 0.40 . 1 . . . . 26 GLU CB . 18348 1 125 . 1 1 29 29 GLU N N 15 120.897 0.40 . 1 . . . . 26 GLU N . 18348 1 126 . 1 1 30 30 SER H H 1 7.760 0.04 . 1 . . . . 27 SER H . 18348 1 127 . 1 1 30 30 SER C C 13 175.083 0.40 . 1 . . . . 27 SER C . 18348 1 128 . 1 1 30 30 SER CA C 13 62.073 0.40 . 1 . . . . 27 SER CA . 18348 1 129 . 1 1 30 30 SER CB C 13 63.457 0.40 . 1 . . . . 27 SER CB . 18348 1 130 . 1 1 30 30 SER N N 15 115.427 0.40 . 1 . . . . 27 SER N . 18348 1 131 . 1 1 31 31 LEU H H 1 7.559 0.04 . 1 . . . . 28 LEU H . 18348 1 132 . 1 1 31 31 LEU C C 13 175.767 0.40 . 1 . . . . 28 LEU C . 18348 1 133 . 1 1 31 31 LEU CA C 13 53.400 0.40 . 1 . . . . 28 LEU CA . 18348 1 134 . 1 1 31 31 LEU CB C 13 42.301 0.40 . 1 . . . . 28 LEU CB . 18348 1 135 . 1 1 31 31 LEU N N 15 115.888 0.40 . 1 . . . . 28 LEU N . 18348 1 136 . 1 1 32 32 GLN H H 1 7.617 0.04 . 1 . . . . 29 GLN H . 18348 1 137 . 1 1 32 32 GLN C C 13 175.054 0.40 . 1 . . . . 29 GLN C . 18348 1 138 . 1 1 32 32 GLN CA C 13 56.829 0.40 . 1 . . . . 29 GLN CA . 18348 1 139 . 1 1 32 32 GLN CB C 13 25.449 0.40 . 1 . . . . 29 GLN CB . 18348 1 140 . 1 1 32 32 GLN N N 15 120.059 0.40 . 1 . . . . 29 GLN N . 18348 1 141 . 1 1 33 33 LEU H H 1 7.502 0.04 . 1 . . . . 30 LEU H . 18348 1 142 . 1 1 33 33 LEU C C 13 175.220 0.40 . 1 . . . . 30 LEU C . 18348 1 143 . 1 1 33 33 LEU CA C 13 52.920 0.40 . 1 . . . . 30 LEU CA . 18348 1 144 . 1 1 33 33 LEU CB C 13 45.655 0.40 . 1 . . . . 30 LEU CB . 18348 1 145 . 1 1 33 33 LEU N N 15 119.776 0.40 . 1 . . . . 30 LEU N . 18348 1 146 . 1 1 34 34 ASN H H 1 8.010 0.04 . 1 . . . . 31 ASN H . 18348 1 147 . 1 1 34 34 ASN C C 13 175.218 0.40 . 1 . . . . 31 ASN C . 18348 1 148 . 1 1 34 34 ASN CA C 13 52.495 0.40 . 1 . . . . 31 ASN CA . 18348 1 149 . 1 1 34 34 ASN CB C 13 38.801 0.40 . 1 . . . . 31 ASN CB . 18348 1 150 . 1 1 34 34 ASN N N 15 120.391 0.40 . 1 . . . . 31 ASN N . 18348 1 151 . 1 1 35 35 LEU H H 1 9.242 0.04 . 1 . . . . 32 LEU H . 18348 1 152 . 1 1 35 35 LEU C C 13 178.970 0.40 . 1 . . . . 32 LEU C . 18348 1 153 . 1 1 35 35 LEU CA C 13 56.845 0.40 . 1 . . . . 32 LEU CA . 18348 1 154 . 1 1 35 35 LEU CB C 13 41.847 0.40 . 1 . . . . 32 LEU CB . 18348 1 155 . 1 1 35 35 LEU N N 15 123.315 0.40 . 1 . . . . 32 LEU N . 18348 1 156 . 1 1 36 36 THR H H 1 9.351 0.04 . 1 . . . . 33 THR H . 18348 1 157 . 1 1 36 36 THR C C 13 174.817 0.40 . 1 . . . . 33 THR C . 18348 1 158 . 1 1 36 36 THR CA C 13 61.428 0.40 . 1 . . . . 33 THR CA . 18348 1 159 . 1 1 36 36 THR CB C 13 70.579 0.40 . 1 . . . . 33 THR CB . 18348 1 160 . 1 1 36 36 THR N N 15 112.419 0.40 . 1 . . . . 33 THR N . 18348 1 161 . 1 1 37 37 LYS H H 1 7.978 0.04 . 1 . . . . 34 LYS H . 18348 1 162 . 1 1 37 37 LYS C C 13 176.287 0.40 . 1 . . . . 34 LYS C . 18348 1 163 . 1 1 37 37 LYS CA C 13 55.352 0.40 . 1 . . . . 34 LYS CA . 18348 1 164 . 1 1 37 37 LYS CB C 13 35.914 0.40 . 1 . . . . 34 LYS CB . 18348 1 165 . 1 1 37 37 LYS N N 15 123.055 0.40 . 1 . . . . 34 LYS N . 18348 1 166 . 1 1 38 38 ILE H H 1 9.403 0.04 . 1 . . . . 35 ILE H . 18348 1 167 . 1 1 38 38 ILE C C 13 177.313 0.40 . 1 . . . . 35 ILE C . 18348 1 168 . 1 1 38 38 ILE CA C 13 61.005 0.40 . 1 . . . . 35 ILE CA . 18348 1 169 . 1 1 38 38 ILE CB C 13 35.875 0.40 . 1 . . . . 35 ILE CB . 18348 1 170 . 1 1 38 38 ILE N N 15 127.997 0.40 . 1 . . . . 35 ILE N . 18348 1 171 . 1 1 39 39 GLU H H 1 11.378 0.04 . 1 . . . . 36 GLU H . 18348 1 172 . 1 1 39 39 GLU N N 15 121.109 0.40 . 1 . . . . 36 GLU N . 18348 1 173 . 1 1 40 40 GLN H H 1 7.586 0.04 . 1 . . . . 37 GLN H . 18348 1 174 . 1 1 40 40 GLN C C 13 178.038 0.40 . 1 . . . . 37 GLN C . 18348 1 175 . 1 1 40 40 GLN CA C 13 58.315 0.40 . 1 . . . . 37 GLN CA . 18348 1 176 . 1 1 40 40 GLN CB C 13 29.189 0.40 . 1 . . . . 37 GLN CB . 18348 1 177 . 1 1 40 40 GLN N N 15 117.740 0.40 . 1 . . . . 37 GLN N . 18348 1 178 . 1 1 41 41 LEU H H 1 8.174 0.04 . 1 . . . . 38 LEU H . 18348 1 179 . 1 1 41 41 LEU C C 13 177.351 0.40 . 1 . . . . 38 LEU C . 18348 1 180 . 1 1 41 41 LEU CA C 13 56.167 0.40 . 1 . . . . 38 LEU CA . 18348 1 181 . 1 1 41 41 LEU CB C 13 41.287 0.40 . 1 . . . . 38 LEU CB . 18348 1 182 . 1 1 41 41 LEU N N 15 122.249 0.40 . 1 . . . . 38 LEU N . 18348 1 183 . 1 1 42 42 CYS H H 1 7.549 0.04 . 1 . . . . 39 CYS H . 18348 1 184 . 1 1 42 42 CYS C C 13 172.096 0.40 . 1 . . . . 39 CYS C . 18348 1 185 . 1 1 42 42 CYS CA C 13 59.297 0.40 . 1 . . . . 39 CYS CA . 18348 1 186 . 1 1 42 42 CYS CB C 13 28.560 0.40 . 1 . . . . 39 CYS CB . 18348 1 187 . 1 1 42 42 CYS N N 15 118.394 0.40 . 1 . . . . 39 CYS N . 18348 1 188 . 1 1 43 43 SER H H 1 6.502 0.04 . 1 . . . . 40 SER H . 18348 1 189 . 1 1 43 43 SER C C 13 176.101 0.40 . 1 . . . . 40 SER C . 18348 1 190 . 1 1 43 43 SER CA C 13 56.517 0.40 . 1 . . . . 40 SER CA . 18348 1 191 . 1 1 43 43 SER CB C 13 65.575 0.40 . 1 . . . . 40 SER CB . 18348 1 192 . 1 1 43 43 SER N N 15 113.710 0.40 . 1 . . . . 40 SER N . 18348 1 193 . 1 1 44 44 GLY H H 1 7.534 0.04 . 1 . . . . 41 GLY H . 18348 1 194 . 1 1 44 44 GLY C C 13 173.305 0.40 . 1 . . . . 41 GLY C . 18348 1 195 . 1 1 44 44 GLY CA C 13 46.598 0.40 . 1 . . . . 41 GLY CA . 18348 1 196 . 1 1 44 44 GLY N N 15 110.417 0.40 . 1 . . . . 41 GLY N . 18348 1 197 . 1 1 45 45 ALA H H 1 6.784 0.04 . 1 . . . . 42 ALA H . 18348 1 198 . 1 1 45 45 ALA C C 13 178.314 0.40 . 1 . . . . 42 ALA C . 18348 1 199 . 1 1 45 45 ALA CA C 13 55.770 0.40 . 1 . . . . 42 ALA CA . 18348 1 200 . 1 1 45 45 ALA CB C 13 18.813 0.40 . 1 . . . . 42 ALA CB . 18348 1 201 . 1 1 45 45 ALA N N 15 124.224 0.40 . 1 . . . . 42 ALA N . 18348 1 202 . 1 1 46 46 ALA H H 1 7.760 0.04 . 1 . . . . 43 ALA H . 18348 1 203 . 1 1 46 46 ALA C C 13 179.087 0.40 . 1 . . . . 43 ALA C . 18348 1 204 . 1 1 46 46 ALA CA C 13 55.170 0.40 . 1 . . . . 43 ALA CA . 18348 1 205 . 1 1 46 46 ALA CB C 13 15.797 0.40 . 1 . . . . 43 ALA CB . 18348 1 206 . 1 1 46 46 ALA N N 15 120.664 0.40 . 1 . . . . 43 ALA N . 18348 1 207 . 1 1 47 47 TYR H H 1 7.177 0.04 . 1 . . . . 44 TYR H . 18348 1 208 . 1 1 47 47 TYR C C 13 178.288 0.40 . 1 . . . . 44 TYR C . 18348 1 209 . 1 1 47 47 TYR CA C 13 60.798 0.40 . 1 . . . . 44 TYR CA . 18348 1 210 . 1 1 47 47 TYR CB C 13 38.945 0.40 . 1 . . . . 44 TYR CB . 18348 1 211 . 1 1 47 47 TYR N N 15 115.380 0.40 . 1 . . . . 44 TYR N . 18348 1 212 . 1 1 48 48 CYS H H 1 7.420 0.04 . 1 . . . . 45 CYS H . 18348 1 213 . 1 1 48 48 CYS C C 13 176.237 0.40 . 1 . . . . 45 CYS C . 18348 1 214 . 1 1 48 48 CYS CA C 13 64.890 0.40 . 1 . . . . 45 CYS CA . 18348 1 215 . 1 1 48 48 CYS CB C 13 27.577 0.40 . 1 . . . . 45 CYS CB . 18348 1 216 . 1 1 48 48 CYS N N 15 116.838 0.40 . 1 . . . . 45 CYS N . 18348 1 217 . 1 1 49 49 GLN H H 1 7.882 0.04 . 1 . . . . 46 GLN H . 18348 1 218 . 1 1 49 49 GLN C C 13 178.753 0.40 . 1 . . . . 46 GLN C . 18348 1 219 . 1 1 49 49 GLN CA C 13 60.465 0.40 . 1 . . . . 46 GLN CA . 18348 1 220 . 1 1 49 49 GLN CB C 13 27.880 0.40 . 1 . . . . 46 GLN CB . 18348 1 221 . 1 1 49 49 GLN N N 15 120.448 0.40 . 1 . . . . 46 GLN N . 18348 1 222 . 1 1 50 50 PHE H H 1 8.846 0.04 . 1 . . . . 47 PHE H . 18348 1 223 . 1 1 50 50 PHE C C 13 178.840 0.40 . 1 . . . . 47 PHE C . 18348 1 224 . 1 1 50 50 PHE CA C 13 61.878 0.40 . 1 . . . . 47 PHE CA . 18348 1 225 . 1 1 50 50 PHE CB C 13 40.493 0.40 . 1 . . . . 47 PHE CB . 18348 1 226 . 1 1 50 50 PHE N N 15 120.235 0.40 . 1 . . . . 47 PHE N . 18348 1 227 . 1 1 51 51 MET H H 1 8.403 0.04 . 1 . . . . 48 MET H . 18348 1 228 . 1 1 51 51 MET C C 13 177.269 0.40 . 1 . . . . 48 MET C . 18348 1 229 . 1 1 51 51 MET CA C 13 57.880 0.40 . 1 . . . . 48 MET CA . 18348 1 230 . 1 1 51 51 MET CB C 13 31.027 0.40 . 1 . . . . 48 MET CB . 18348 1 231 . 1 1 51 51 MET N N 15 119.781 0.40 . 1 . . . . 48 MET N . 18348 1 232 . 1 1 52 52 ASP H H 1 7.568 0.04 . 1 . . . . 49 ASP H . 18348 1 233 . 1 1 52 52 ASP C C 13 175.782 0.40 . 1 . . . . 49 ASP C . 18348 1 234 . 1 1 52 52 ASP CA C 13 57.595 0.40 . 1 . . . . 49 ASP CA . 18348 1 235 . 1 1 52 52 ASP CB C 13 43.517 0.40 . 1 . . . . 49 ASP CB . 18348 1 236 . 1 1 52 52 ASP N N 15 121.456 0.40 . 1 . . . . 49 ASP N . 18348 1 237 . 1 1 53 53 MET H H 1 7.630 0.04 . 1 . . . . 50 MET H . 18348 1 238 . 1 1 53 53 MET C C 13 177.820 0.40 . 1 . . . . 50 MET C . 18348 1 239 . 1 1 53 53 MET CA C 13 58.833 0.40 . 1 . . . . 50 MET CA . 18348 1 240 . 1 1 53 53 MET CB C 13 33.447 0.40 . 1 . . . . 50 MET CB . 18348 1 241 . 1 1 53 53 MET N N 15 117.800 0.40 . 1 . . . . 50 MET N . 18348 1 242 . 1 1 54 54 LEU H H 1 8.190 0.04 . 1 . . . . 51 LEU H . 18348 1 243 . 1 1 54 54 LEU C C 13 177.317 0.40 . 1 . . . . 51 LEU C . 18348 1 244 . 1 1 54 54 LEU CA C 13 56.848 0.40 . 1 . . . . 51 LEU CA . 18348 1 245 . 1 1 54 54 LEU CB C 13 44.983 0.40 . 1 . . . . 51 LEU CB . 18348 1 246 . 1 1 54 54 LEU N N 15 118.930 0.40 . 1 . . . . 51 LEU N . 18348 1 247 . 1 1 55 55 PHE H H 1 8.422 0.04 . 1 . . . . 52 PHE H . 18348 1 248 . 1 1 55 55 PHE C C 13 171.728 0.40 . 1 . . . . 52 PHE C . 18348 1 249 . 1 1 55 55 PHE CA C 13 53.624 0.40 . 1 . . . . 52 PHE CA . 18348 1 250 . 1 1 55 55 PHE CB C 13 39.486 0.40 . 1 . . . . 52 PHE CB . 18348 1 251 . 1 1 55 55 PHE N N 15 117.449 0.40 . 1 . . . . 52 PHE N . 18348 1 252 . 1 1 57 57 GLY H H 1 9.249 0.04 . 1 . . . . 54 GLY H . 18348 1 253 . 1 1 57 57 GLY C C 13 175.792 0.40 . 1 . . . . 54 GLY C . 18348 1 254 . 1 1 57 57 GLY CA C 13 45.561 0.40 . 1 . . . . 54 GLY CA . 18348 1 255 . 1 1 57 57 GLY N N 15 116.779 0.40 . 1 . . . . 54 GLY N . 18348 1 256 . 1 1 58 58 SER H H 1 8.812 0.04 . 1 . . . . 55 SER H . 18348 1 257 . 1 1 58 58 SER C C 13 174.073 0.40 . 1 . . . . 55 SER C . 18348 1 258 . 1 1 58 58 SER CA C 13 61.354 0.40 . 1 . . . . 55 SER CA . 18348 1 259 . 1 1 58 58 SER CB C 13 63.954 0.40 . 1 . . . . 55 SER CB . 18348 1 260 . 1 1 58 58 SER N N 15 118.234 0.40 . 1 . . . . 55 SER N . 18348 1 261 . 1 1 59 59 ILE H H 1 7.696 0.04 . 1 . . . . 56 ILE H . 18348 1 262 . 1 1 59 59 ILE C C 13 175.109 0.40 . 1 . . . . 56 ILE C . 18348 1 263 . 1 1 59 59 ILE CA C 13 57.783 0.40 . 1 . . . . 56 ILE CA . 18348 1 264 . 1 1 59 59 ILE CB C 13 41.966 0.40 . 1 . . . . 56 ILE CB . 18348 1 265 . 1 1 59 59 ILE N N 15 118.263 0.40 . 1 . . . . 56 ILE N . 18348 1 266 . 1 1 60 60 ALA H H 1 8.010 0.04 . 1 . . . . 57 ALA H . 18348 1 267 . 1 1 60 60 ALA C C 13 176.494 0.40 . 1 . . . . 57 ALA C . 18348 1 268 . 1 1 60 60 ALA CA C 13 50.572 0.40 . 1 . . . . 57 ALA CA . 18348 1 269 . 1 1 60 60 ALA CB C 13 16.648 0.40 . 1 . . . . 57 ALA CB . 18348 1 270 . 1 1 60 60 ALA N N 15 130.591 0.40 . 1 . . . . 57 ALA N . 18348 1 271 . 1 1 61 61 LEU H H 1 8.039 0.04 . 1 . . . . 58 LEU H . 18348 1 272 . 1 1 61 61 LEU C C 13 178.904 0.40 . 1 . . . . 58 LEU C . 18348 1 273 . 1 1 61 61 LEU CA C 13 57.890 0.40 . 1 . . . . 58 LEU CA . 18348 1 274 . 1 1 61 61 LEU CB C 13 42.499 0.40 . 1 . . . . 58 LEU CB . 18348 1 275 . 1 1 61 61 LEU N N 15 128.062 0.40 . 1 . . . . 58 LEU N . 18348 1 276 . 1 1 62 62 LYS H H 1 8.530 0.04 . 1 . . . . 59 LYS H . 18348 1 277 . 1 1 62 62 LYS C C 13 177.542 0.40 . 1 . . . . 59 LYS C . 18348 1 278 . 1 1 62 62 LYS CA C 13 57.932 0.40 . 1 . . . . 59 LYS CA . 18348 1 279 . 1 1 62 62 LYS CB C 13 31.692 0.40 . 1 . . . . 59 LYS CB . 18348 1 280 . 1 1 62 62 LYS N N 15 116.643 0.40 . 1 . . . . 59 LYS N . 18348 1 281 . 1 1 63 63 LYS H H 1 7.748 0.04 . 1 . . . . 60 LYS H . 18348 1 282 . 1 1 63 63 LYS C C 13 176.265 0.40 . 1 . . . . 60 LYS C . 18348 1 283 . 1 1 63 63 LYS CA C 13 55.804 0.40 . 1 . . . . 60 LYS CA . 18348 1 284 . 1 1 63 63 LYS CB C 13 33.108 0.40 . 1 . . . . 60 LYS CB . 18348 1 285 . 1 1 63 63 LYS N N 15 118.421 0.40 . 1 . . . . 60 LYS N . 18348 1 286 . 1 1 64 64 VAL H H 1 7.382 0.04 . 1 . . . . 61 VAL H . 18348 1 287 . 1 1 64 64 VAL C C 13 175.059 0.40 . 1 . . . . 61 VAL C . 18348 1 288 . 1 1 64 64 VAL CA C 13 62.963 0.40 . 1 . . . . 61 VAL CA . 18348 1 289 . 1 1 64 64 VAL CB C 13 31.966 0.40 . 1 . . . . 61 VAL CB . 18348 1 290 . 1 1 64 64 VAL N N 15 123.840 0.40 . 1 . . . . 61 VAL N . 18348 1 291 . 1 1 65 65 LYS H H 1 8.973 0.04 . 1 . . . . 62 LYS H . 18348 1 292 . 1 1 65 65 LYS C C 13 177.218 0.40 . 1 . . . . 62 LYS C . 18348 1 293 . 1 1 65 65 LYS CA C 13 54.380 0.40 . 1 . . . . 62 LYS CA . 18348 1 294 . 1 1 65 65 LYS CB C 13 31.900 0.40 . 1 . . . . 62 LYS CB . 18348 1 295 . 1 1 65 65 LYS N N 15 128.975 0.40 . 1 . . . . 62 LYS N . 18348 1 296 . 1 1 66 66 PHE H H 1 8.582 0.04 . 1 . . . . 63 PHE H . 18348 1 297 . 1 1 66 66 PHE C C 13 177.007 0.40 . 1 . . . . 63 PHE C . 18348 1 298 . 1 1 66 66 PHE CA C 13 62.050 0.40 . 1 . . . . 63 PHE CA . 18348 1 299 . 1 1 66 66 PHE CB C 13 38.871 0.40 . 1 . . . . 63 PHE CB . 18348 1 300 . 1 1 66 66 PHE N N 15 126.892 0.40 . 1 . . . . 63 PHE N . 18348 1 301 . 1 1 67 67 GLN H H 1 8.816 0.04 . 1 . . . . 64 GLN H . 18348 1 302 . 1 1 67 67 GLN C C 13 174.970 0.40 . 1 . . . . 64 GLN C . 18348 1 303 . 1 1 67 67 GLN N N 15 121.175 0.40 . 1 . . . . 64 GLN N . 18348 1 304 . 1 1 68 68 ALA H H 1 6.854 0.04 . 1 . . . . 65 ALA H . 18348 1 305 . 1 1 68 68 ALA C C 13 177.078 0.40 . 1 . . . . 65 ALA C . 18348 1 306 . 1 1 68 68 ALA CA C 13 53.047 0.40 . 1 . . . . 65 ALA CA . 18348 1 307 . 1 1 68 68 ALA CB C 13 20.800 0.40 . 1 . . . . 65 ALA CB . 18348 1 308 . 1 1 68 68 ALA N N 15 122.981 0.40 . 1 . . . . 65 ALA N . 18348 1 309 . 1 1 69 69 LYS H H 1 8.954 0.04 . 1 . . . . 66 LYS H . 18348 1 310 . 1 1 69 69 LYS C C 13 174.634 0.40 . 1 . . . . 66 LYS C . 18348 1 311 . 1 1 69 69 LYS CA C 13 56.077 0.40 . 1 . . . . 66 LYS CA . 18348 1 312 . 1 1 69 69 LYS CB C 13 35.792 0.40 . 1 . . . . 66 LYS CB . 18348 1 313 . 1 1 69 69 LYS N N 15 121.685 0.40 . 1 . . . . 66 LYS N . 18348 1 314 . 1 1 70 70 LEU H H 1 7.586 0.04 . 1 . . . . 67 LEU H . 18348 1 315 . 1 1 70 70 LEU C C 13 176.781 0.40 . 1 . . . . 67 LEU C . 18348 1 316 . 1 1 70 70 LEU CA C 13 52.686 0.40 . 1 . . . . 67 LEU CA . 18348 1 317 . 1 1 70 70 LEU CB C 13 45.007 0.40 . 1 . . . . 67 LEU CB . 18348 1 318 . 1 1 70 70 LEU N N 15 120.995 0.40 . 1 . . . . 67 LEU N . 18348 1 319 . 1 1 71 71 GLU H H 1 8.612 0.04 . 1 . . . . 68 GLU H . 18348 1 320 . 1 1 71 71 GLU C C 13 177.849 0.40 . 1 . . . . 68 GLU C . 18348 1 321 . 1 1 71 71 GLU CA C 13 60.995 0.40 . 1 . . . . 68 GLU CA . 18348 1 322 . 1 1 71 71 GLU CB C 13 29.869 0.40 . 1 . . . . 68 GLU CB . 18348 1 323 . 1 1 71 71 GLU N N 15 124.510 0.40 . 1 . . . . 68 GLU N . 18348 1 324 . 1 1 72 72 HIS H H 1 8.306 0.04 . 1 . . . . 69 HIS H . 18348 1 325 . 1 1 72 72 HIS C C 13 178.163 0.40 . 1 . . . . 69 HIS C . 18348 1 326 . 1 1 72 72 HIS CA C 13 59.599 0.40 . 1 . . . . 69 HIS CA . 18348 1 327 . 1 1 72 72 HIS CB C 13 29.354 0.40 . 1 . . . . 69 HIS CB . 18348 1 328 . 1 1 72 72 HIS N N 15 115.001 0.40 . 1 . . . . 69 HIS N . 18348 1 329 . 1 1 73 73 GLU H H 1 6.872 0.04 . 1 . . . . 70 GLU H . 18348 1 330 . 1 1 73 73 GLU C C 13 178.290 0.40 . 1 . . . . 70 GLU C . 18348 1 331 . 1 1 73 73 GLU CA C 13 58.206 0.40 . 1 . . . . 70 GLU CA . 18348 1 332 . 1 1 73 73 GLU CB C 13 31.115 0.40 . 1 . . . . 70 GLU CB . 18348 1 333 . 1 1 73 73 GLU N N 15 122.285 0.40 . 1 . . . . 70 GLU N . 18348 1 334 . 1 1 74 74 TYR H H 1 7.590 0.04 . 1 . . . . 71 TYR H . 18348 1 335 . 1 1 74 74 TYR C C 13 179.329 0.40 . 1 . . . . 71 TYR C . 18348 1 336 . 1 1 74 74 TYR CA C 13 56.616 0.40 . 1 . . . . 71 TYR CA . 18348 1 337 . 1 1 74 74 TYR CB C 13 36.337 0.40 . 1 . . . . 71 TYR CB . 18348 1 338 . 1 1 74 74 TYR N N 15 121.820 0.40 . 1 . . . . 71 TYR N . 18348 1 339 . 1 1 75 75 ILE H H 1 8.454 0.04 . 1 . . . . 72 ILE H . 18348 1 340 . 1 1 75 75 ILE C C 13 178.039 0.40 . 1 . . . . 72 ILE C . 18348 1 341 . 1 1 75 75 ILE CA C 13 66.194 0.40 . 1 . . . . 72 ILE CA . 18348 1 342 . 1 1 75 75 ILE CB C 13 38.239 0.40 . 1 . . . . 72 ILE CB . 18348 1 343 . 1 1 75 75 ILE N N 15 119.437 0.40 . 1 . . . . 72 ILE N . 18348 1 344 . 1 1 76 76 GLN H H 1 7.530 0.04 . 1 . . . . 73 GLN H . 18348 1 345 . 1 1 76 76 GLN C C 13 178.847 0.40 . 1 . . . . 73 GLN C . 18348 1 346 . 1 1 76 76 GLN CA C 13 59.496 0.40 . 1 . . . . 73 GLN CA . 18348 1 347 . 1 1 76 76 GLN CB C 13 27.788 0.40 . 1 . . . . 73 GLN CB . 18348 1 348 . 1 1 76 76 GLN N N 15 120.511 0.40 . 1 . . . . 73 GLN N . 18348 1 349 . 1 1 77 77 ASN H H 1 7.925 0.04 . 1 . . . . 74 ASN H . 18348 1 350 . 1 1 77 77 ASN C C 13 177.976 0.40 . 1 . . . . 74 ASN C . 18348 1 351 . 1 1 77 77 ASN CA C 13 55.533 0.40 . 1 . . . . 74 ASN CA . 18348 1 352 . 1 1 77 77 ASN CB C 13 36.970 0.40 . 1 . . . . 74 ASN CB . 18348 1 353 . 1 1 77 77 ASN N N 15 120.641 0.40 . 1 . . . . 74 ASN N . 18348 1 354 . 1 1 78 78 PHE H H 1 8.454 0.04 . 1 . . . . 75 PHE H . 18348 1 355 . 1 1 78 78 PHE C C 13 178.450 0.40 . 1 . . . . 75 PHE C . 18348 1 356 . 1 1 78 78 PHE CA C 13 63.715 0.40 . 1 . . . . 75 PHE CA . 18348 1 357 . 1 1 78 78 PHE CB C 13 39.999 0.40 . 1 . . . . 75 PHE CB . 18348 1 358 . 1 1 78 78 PHE N N 15 119.886 0.40 . 1 . . . . 75 PHE N . 18348 1 359 . 1 1 79 79 LYS H H 1 8.716 0.04 . 1 . . . . 76 LYS H . 18348 1 360 . 1 1 79 79 LYS C C 13 180.592 0.40 . 1 . . . . 76 LYS C . 18348 1 361 . 1 1 79 79 LYS CA C 13 60.055 0.40 . 1 . . . . 76 LYS CA . 18348 1 362 . 1 1 79 79 LYS CB C 13 32.003 0.40 . 1 . . . . 76 LYS CB . 18348 1 363 . 1 1 79 79 LYS N N 15 124.466 0.40 . 1 . . . . 76 LYS N . 18348 1 364 . 1 1 80 80 ILE H H 1 7.677 0.04 . 1 . . . . 77 ILE H . 18348 1 365 . 1 1 80 80 ILE C C 13 179.187 0.40 . 1 . . . . 77 ILE C . 18348 1 366 . 1 1 80 80 ILE CA C 13 65.121 0.40 . 1 . . . . 77 ILE CA . 18348 1 367 . 1 1 80 80 ILE CB C 13 37.262 0.40 . 1 . . . . 77 ILE CB . 18348 1 368 . 1 1 80 80 ILE N N 15 125.530 0.40 . 1 . . . . 77 ILE N . 18348 1 369 . 1 1 81 81 LEU H H 1 7.764 0.04 . 1 . . . . 78 LEU H . 18348 1 370 . 1 1 81 81 LEU C C 13 178.114 0.40 . 1 . . . . 78 LEU C . 18348 1 371 . 1 1 81 81 LEU CA C 13 58.205 0.40 . 1 . . . . 78 LEU CA . 18348 1 372 . 1 1 81 81 LEU CB C 13 41.482 0.40 . 1 . . . . 78 LEU CB . 18348 1 373 . 1 1 81 81 LEU N N 15 124.509 0.40 . 1 . . . . 78 LEU N . 18348 1 374 . 1 1 82 82 GLN H H 1 8.950 0.04 . 1 . . . . 79 GLN H . 18348 1 375 . 1 1 82 82 GLN C C 13 178.639 0.40 . 1 . . . . 79 GLN C . 18348 1 376 . 1 1 82 82 GLN CA C 13 58.897 0.40 . 1 . . . . 79 GLN CA . 18348 1 377 . 1 1 82 82 GLN CB C 13 29.584 0.40 . 1 . . . . 79 GLN CB . 18348 1 378 . 1 1 82 82 GLN N N 15 119.917 0.40 . 1 . . . . 79 GLN N . 18348 1 379 . 1 1 83 83 ALA H H 1 7.935 0.04 . 1 . . . . 80 ALA H . 18348 1 380 . 1 1 83 83 ALA C C 13 181.017 0.40 . 1 . . . . 80 ALA C . 18348 1 381 . 1 1 83 83 ALA CA C 13 55.250 0.40 . 1 . . . . 80 ALA CA . 18348 1 382 . 1 1 83 83 ALA CB C 13 17.810 0.40 . 1 . . . . 80 ALA CB . 18348 1 383 . 1 1 83 83 ALA N N 15 124.139 0.40 . 1 . . . . 80 ALA N . 18348 1 384 . 1 1 84 84 GLY H H 1 8.202 0.04 . 1 . . . . 81 GLY H . 18348 1 385 . 1 1 84 84 GLY C C 13 175.413 0.40 . 1 . . . . 81 GLY C . 18348 1 386 . 1 1 84 84 GLY CA C 13 47.970 0.40 . 1 . . . . 81 GLY CA . 18348 1 387 . 1 1 84 84 GLY N N 15 110.727 0.40 . 1 . . . . 81 GLY N . 18348 1 388 . 1 1 85 85 PHE H H 1 9.138 0.04 . 1 . . . . 82 PHE H . 18348 1 389 . 1 1 85 85 PHE C C 13 178.291 0.40 . 1 . . . . 82 PHE C . 18348 1 390 . 1 1 85 85 PHE CA C 13 59.128 0.40 . 1 . . . . 82 PHE CA . 18348 1 391 . 1 1 85 85 PHE CB C 13 37.143 0.40 . 1 . . . . 82 PHE CB . 18348 1 392 . 1 1 85 85 PHE N N 15 124.725 0.40 . 1 . . . . 82 PHE N . 18348 1 393 . 1 1 86 86 LYS H H 1 8.338 0.04 . 1 . . . . 83 LYS H . 18348 1 394 . 1 1 86 86 LYS C C 13 180.249 0.40 . 1 . . . . 83 LYS C . 18348 1 395 . 1 1 86 86 LYS CA C 13 59.424 0.40 . 1 . . . . 83 LYS CA . 18348 1 396 . 1 1 86 86 LYS CB C 13 32.111 0.40 . 1 . . . . 83 LYS CB . 18348 1 397 . 1 1 86 86 LYS N N 15 121.480 0.40 . 1 . . . . 83 LYS N . 18348 1 398 . 1 1 87 87 ARG H H 1 8.142 0.04 . 1 . . . . 84 ARG H . 18348 1 399 . 1 1 87 87 ARG C C 13 177.733 0.40 . 1 . . . . 84 ARG C . 18348 1 400 . 1 1 87 87 ARG CA C 13 59.215 0.40 . 1 . . . . 84 ARG CA . 18348 1 401 . 1 1 87 87 ARG CB C 13 30.324 0.40 . 1 . . . . 84 ARG CB . 18348 1 402 . 1 1 87 87 ARG N N 15 121.669 0.40 . 1 . . . . 84 ARG N . 18348 1 403 . 1 1 88 88 MET H H 1 7.507 0.04 . 1 . . . . 85 MET H . 18348 1 404 . 1 1 88 88 MET C C 13 175.715 0.40 . 1 . . . . 85 MET C . 18348 1 405 . 1 1 88 88 MET CA C 13 52.635 0.40 . 1 . . . . 85 MET CA . 18348 1 406 . 1 1 88 88 MET CB C 13 30.090 0.40 . 1 . . . . 85 MET CB . 18348 1 407 . 1 1 88 88 MET N N 15 113.795 0.40 . 1 . . . . 85 MET N . 18348 1 408 . 1 1 89 89 GLY H H 1 7.664 0.04 . 1 . . . . 86 GLY H . 18348 1 409 . 1 1 89 89 GLY C C 13 175.166 0.40 . 1 . . . . 86 GLY C . 18348 1 410 . 1 1 89 89 GLY CA C 13 46.929 0.40 . 1 . . . . 86 GLY CA . 18348 1 411 . 1 1 89 89 GLY N N 15 109.819 0.40 . 1 . . . . 86 GLY N . 18348 1 412 . 1 1 90 90 VAL H H 1 8.549 0.04 . 1 . . . . 87 VAL H . 18348 1 413 . 1 1 90 90 VAL C C 13 176.392 0.40 . 1 . . . . 87 VAL C . 18348 1 414 . 1 1 90 90 VAL CA C 13 62.070 0.40 . 1 . . . . 87 VAL CA . 18348 1 415 . 1 1 90 90 VAL CB C 13 31.170 0.40 . 1 . . . . 87 VAL CB . 18348 1 416 . 1 1 90 90 VAL N N 15 123.564 0.40 . 1 . . . . 87 VAL N . 18348 1 417 . 1 1 91 91 ASP H H 1 8.813 0.04 . 1 . . . . 88 ASP H . 18348 1 418 . 1 1 91 91 ASP C C 13 174.692 0.40 . 1 . . . . 88 ASP C . 18348 1 419 . 1 1 91 91 ASP CA C 13 53.012 0.40 . 1 . . . . 88 ASP CA . 18348 1 420 . 1 1 91 91 ASP CB C 13 39.656 0.40 . 1 . . . . 88 ASP CB . 18348 1 421 . 1 1 91 91 ASP N N 15 131.827 0.40 . 1 . . . . 88 ASP N . 18348 1 422 . 1 1 92 92 LYS H H 1 6.878 0.04 . 1 . . . . 89 LYS H . 18348 1 423 . 1 1 92 92 LYS C C 13 174.417 0.40 . 1 . . . . 89 LYS C . 18348 1 424 . 1 1 92 92 LYS CA C 13 54.795 0.40 . 1 . . . . 89 LYS CA . 18348 1 425 . 1 1 92 92 LYS CB C 13 35.312 0.40 . 1 . . . . 89 LYS CB . 18348 1 426 . 1 1 92 92 LYS N N 15 124.297 0.40 . 1 . . . . 89 LYS N . 18348 1 427 . 1 1 93 93 ILE H H 1 8.466 0.04 . 1 . . . . 90 ILE H . 18348 1 428 . 1 1 93 93 ILE C C 13 176.066 0.40 . 1 . . . . 90 ILE C . 18348 1 429 . 1 1 93 93 ILE CA C 13 59.728 0.40 . 1 . . . . 90 ILE CA . 18348 1 430 . 1 1 93 93 ILE CB C 13 37.073 0.40 . 1 . . . . 90 ILE CB . 18348 1 431 . 1 1 93 93 ILE N N 15 131.010 0.40 . 1 . . . . 90 ILE N . 18348 1 432 . 1 1 94 94 ILE H H 1 8.930 0.04 . 1 . . . . 91 ILE H . 18348 1 433 . 1 1 94 94 ILE C C 13 175.705 0.40 . 1 . . . . 91 ILE C . 18348 1 434 . 1 1 94 94 ILE CA C 13 59.378 0.40 . 1 . . . . 91 ILE CA . 18348 1 435 . 1 1 94 94 ILE CB C 13 39.041 0.40 . 1 . . . . 91 ILE CB . 18348 1 436 . 1 1 94 94 ILE N N 15 131.888 0.40 . 1 . . . . 91 ILE N . 18348 1 437 . 1 1 96 96 VAL H H 1 8.064 0.04 . 1 . . . . 93 VAL H . 18348 1 438 . 1 1 96 96 VAL C C 13 175.142 0.40 . 1 . . . . 93 VAL C . 18348 1 439 . 1 1 96 96 VAL CA C 13 67.592 0.40 . 1 . . . . 93 VAL CA . 18348 1 440 . 1 1 96 96 VAL CB C 13 32.513 0.40 . 1 . . . . 93 VAL CB . 18348 1 441 . 1 1 96 96 VAL N N 15 126.618 0.40 . 1 . . . . 93 VAL N . 18348 1 442 . 1 1 97 97 ASP H H 1 8.161 0.04 . 1 . . . . 94 ASP H . 18348 1 443 . 1 1 97 97 ASP C C 13 177.510 0.40 . 1 . . . . 94 ASP C . 18348 1 444 . 1 1 97 97 ASP CA C 13 56.843 0.40 . 1 . . . . 94 ASP CA . 18348 1 445 . 1 1 97 97 ASP CB C 13 39.877 0.40 . 1 . . . . 94 ASP CB . 18348 1 446 . 1 1 97 97 ASP N N 15 115.473 0.40 . 1 . . . . 94 ASP N . 18348 1 447 . 1 1 98 98 LYS H H 1 7.094 0.04 . 1 . . . . 95 LYS H . 18348 1 448 . 1 1 98 98 LYS C C 13 179.413 0.40 . 1 . . . . 95 LYS C . 18348 1 449 . 1 1 98 98 LYS CA C 13 57.749 0.40 . 1 . . . . 95 LYS CA . 18348 1 450 . 1 1 98 98 LYS CB C 13 32.911 0.40 . 1 . . . . 95 LYS CB . 18348 1 451 . 1 1 98 98 LYS N N 15 116.688 0.40 . 1 . . . . 95 LYS N . 18348 1 452 . 1 1 99 99 LEU H H 1 7.857 0.04 . 1 . . . . 96 LEU H . 18348 1 453 . 1 1 99 99 LEU C C 13 181.134 0.40 . 1 . . . . 96 LEU C . 18348 1 454 . 1 1 99 99 LEU CA C 13 58.134 0.40 . 1 . . . . 96 LEU CA . 18348 1 455 . 1 1 99 99 LEU CB C 13 41.047 0.40 . 1 . . . . 96 LEU CB . 18348 1 456 . 1 1 99 99 LEU N N 15 120.624 0.40 . 1 . . . . 96 LEU N . 18348 1 457 . 1 1 100 100 VAL H H 1 7.809 0.04 . 1 . . . . 97 VAL H . 18348 1 458 . 1 1 100 100 VAL C C 13 175.482 0.40 . 1 . . . . 97 VAL C . 18348 1 459 . 1 1 100 100 VAL CA C 13 64.501 0.40 . 1 . . . . 97 VAL CA . 18348 1 460 . 1 1 100 100 VAL CB C 13 31.888 0.40 . 1 . . . . 97 VAL CB . 18348 1 461 . 1 1 100 100 VAL N N 15 110.028 0.40 . 1 . . . . 97 VAL N . 18348 1 462 . 1 1 101 101 LYS H H 1 6.996 0.04 . 1 . . . . 98 LYS H . 18348 1 463 . 1 1 101 101 LYS C C 13 178.761 0.40 . 1 . . . . 98 LYS C . 18348 1 464 . 1 1 101 101 LYS CA C 13 55.883 0.40 . 1 . . . . 98 LYS CA . 18348 1 465 . 1 1 101 101 LYS CB C 13 31.724 0.40 . 1 . . . . 98 LYS CB . 18348 1 466 . 1 1 101 101 LYS N N 15 118.003 0.40 . 1 . . . . 98 LYS N . 18348 1 467 . 1 1 102 102 GLY H H 1 7.990 0.04 . 1 . . . . 99 GLY H . 18348 1 468 . 1 1 102 102 GLY C C 13 173.652 0.40 . 1 . . . . 99 GLY C . 18348 1 469 . 1 1 102 102 GLY CA C 13 47.162 0.40 . 1 . . . . 99 GLY CA . 18348 1 470 . 1 1 102 102 GLY N N 15 105.352 0.40 . 1 . . . . 99 GLY N . 18348 1 471 . 1 1 103 103 LYS H H 1 8.770 0.04 . 1 . . . . 100 LYS H . 18348 1 472 . 1 1 103 103 LYS C C 13 178.847 0.40 . 1 . . . . 100 LYS C . 18348 1 473 . 1 1 103 103 LYS CA C 13 55.030 0.40 . 1 . . . . 100 LYS CA . 18348 1 474 . 1 1 103 103 LYS CB C 13 32.507 0.40 . 1 . . . . 100 LYS CB . 18348 1 475 . 1 1 103 103 LYS N N 15 118.967 0.40 . 1 . . . . 100 LYS N . 18348 1 476 . 1 1 104 104 PHE H H 1 9.242 0.04 . 1 . . . . 101 PHE H . 18348 1 477 . 1 1 104 104 PHE C C 13 177.071 0.40 . 1 . . . . 101 PHE C . 18348 1 478 . 1 1 104 104 PHE CA C 13 64.061 0.40 . 1 . . . . 101 PHE CA . 18348 1 479 . 1 1 104 104 PHE CB C 13 39.260 0.40 . 1 . . . . 101 PHE CB . 18348 1 480 . 1 1 104 104 PHE N N 15 125.853 0.40 . 1 . . . . 101 PHE N . 18348 1 481 . 1 1 105 105 GLN H H 1 9.292 0.04 . 1 . . . . 102 GLN H . 18348 1 482 . 1 1 105 105 GLN C C 13 178.422 0.40 . 1 . . . . 102 GLN C . 18348 1 483 . 1 1 105 105 GLN CA C 13 60.624 0.40 . 1 . . . . 102 GLN CA . 18348 1 484 . 1 1 105 105 GLN CB C 13 27.637 0.40 . 1 . . . . 102 GLN CB . 18348 1 485 . 1 1 105 105 GLN N N 15 120.714 0.40 . 1 . . . . 102 GLN N . 18348 1 486 . 1 1 106 106 ASP H H 1 7.646 0.04 . 1 . . . . 103 ASP H . 18348 1 487 . 1 1 106 106 ASP C C 13 179.044 0.40 . 1 . . . . 103 ASP C . 18348 1 488 . 1 1 106 106 ASP CA C 13 56.928 0.40 . 1 . . . . 103 ASP CA . 18348 1 489 . 1 1 106 106 ASP CB C 13 41.260 0.40 . 1 . . . . 103 ASP CB . 18348 1 490 . 1 1 106 106 ASP N N 15 115.594 0.40 . 1 . . . . 103 ASP N . 18348 1 491 . 1 1 107 107 ASN H H 1 7.285 0.04 . 1 . . . . 104 ASN H . 18348 1 492 . 1 1 107 107 ASN C C 13 177.565 0.40 . 1 . . . . 104 ASN C . 18348 1 493 . 1 1 107 107 ASN CA C 13 57.075 0.40 . 1 . . . . 104 ASN CA . 18348 1 494 . 1 1 107 107 ASN CB C 13 39.390 0.40 . 1 . . . . 104 ASN CB . 18348 1 495 . 1 1 107 107 ASN N N 15 118.147 0.40 . 1 . . . . 104 ASN N . 18348 1 496 . 1 1 108 108 PHE H H 1 9.299 0.04 . 1 . . . . 105 PHE H . 18348 1 497 . 1 1 108 108 PHE C C 13 176.680 0.40 . 1 . . . . 105 PHE C . 18348 1 498 . 1 1 108 108 PHE CA C 13 58.844 0.40 . 1 . . . . 105 PHE CA . 18348 1 499 . 1 1 108 108 PHE CB C 13 38.552 0.40 . 1 . . . . 105 PHE CB . 18348 1 500 . 1 1 108 108 PHE N N 15 125.693 0.40 . 1 . . . . 105 PHE N . 18348 1 501 . 1 1 109 109 GLU H H 1 8.156 0.04 . 1 . . . . 106 GLU H . 18348 1 502 . 1 1 109 109 GLU C C 13 179.843 0.40 . 1 . . . . 106 GLU C . 18348 1 503 . 1 1 109 109 GLU CA C 13 59.799 0.40 . 1 . . . . 106 GLU CA . 18348 1 504 . 1 1 109 109 GLU CB C 13 29.539 0.40 . 1 . . . . 106 GLU CB . 18348 1 505 . 1 1 109 109 GLU N N 15 119.927 0.40 . 1 . . . . 106 GLU N . 18348 1 506 . 1 1 110 110 PHE H H 1 7.658 0.04 . 1 . . . . 107 PHE H . 18348 1 507 . 1 1 110 110 PHE C C 13 177.142 0.40 . 1 . . . . 107 PHE C . 18348 1 508 . 1 1 110 110 PHE CA C 13 62.581 0.40 . 1 . . . . 107 PHE CA . 18348 1 509 . 1 1 110 110 PHE CB C 13 39.614 0.40 . 1 . . . . 107 PHE CB . 18348 1 510 . 1 1 110 110 PHE N N 15 119.758 0.40 . 1 . . . . 107 PHE N . 18348 1 511 . 1 1 111 111 VAL H H 1 8.037 0.04 . 1 . . . . 108 VAL H . 18348 1 512 . 1 1 111 111 VAL C C 13 176.414 0.40 . 1 . . . . 108 VAL C . 18348 1 513 . 1 1 111 111 VAL CA C 13 65.081 0.40 . 1 . . . . 108 VAL CA . 18348 1 514 . 1 1 111 111 VAL CB C 13 30.382 0.40 . 1 . . . . 108 VAL CB . 18348 1 515 . 1 1 111 111 VAL N N 15 121.456 0.40 . 1 . . . . 108 VAL N . 18348 1 516 . 1 1 112 112 GLN H H 1 7.646 0.04 . 1 . . . . 109 GLN H . 18348 1 517 . 1 1 112 112 GLN C C 13 179.409 0.40 . 1 . . . . 109 GLN C . 18348 1 518 . 1 1 112 112 GLN CA C 13 59.049 0.40 . 1 . . . . 109 GLN CA . 18348 1 519 . 1 1 112 112 GLN CB C 13 27.411 0.40 . 1 . . . . 109 GLN CB . 18348 1 520 . 1 1 112 112 GLN N N 15 122.016 0.40 . 1 . . . . 109 GLN N . 18348 1 521 . 1 1 113 113 TRP H H 1 7.154 0.04 . 1 . . . . 110 TRP H . 18348 1 522 . 1 1 113 113 TRP C C 13 176.378 0.40 . 1 . . . . 110 TRP C . 18348 1 523 . 1 1 113 113 TRP CA C 13 62.274 0.40 . 1 . . . . 110 TRP CA . 18348 1 524 . 1 1 113 113 TRP CB C 13 27.199 0.40 . 1 . . . . 110 TRP CB . 18348 1 525 . 1 1 113 113 TRP N N 15 121.373 0.40 . 1 . . . . 110 TRP N . 18348 1 526 . 1 1 114 114 PHE H H 1 8.953 0.04 . 1 . . . . 111 PHE H . 18348 1 527 . 1 1 114 114 PHE C C 13 176.815 0.40 . 1 . . . . 111 PHE C . 18348 1 528 . 1 1 114 114 PHE CA C 13 61.747 0.40 . 1 . . . . 111 PHE CA . 18348 1 529 . 1 1 114 114 PHE CB C 13 39.825 0.40 . 1 . . . . 111 PHE CB . 18348 1 530 . 1 1 114 114 PHE N N 15 122.723 0.40 . 1 . . . . 111 PHE N . 18348 1 531 . 1 1 115 115 LYS H H 1 8.702 0.04 . 1 . . . . 112 LYS H . 18348 1 532 . 1 1 115 115 LYS C C 13 176.912 0.40 . 1 . . . . 112 LYS C . 18348 1 533 . 1 1 115 115 LYS CA C 13 58.280 0.40 . 1 . . . . 112 LYS CA . 18348 1 534 . 1 1 115 115 LYS CB C 13 31.622 0.40 . 1 . . . . 112 LYS CB . 18348 1 535 . 1 1 115 115 LYS N N 15 120.774 0.40 . 1 . . . . 112 LYS N . 18348 1 536 . 1 1 116 116 LYS H H 1 6.603 0.04 . 1 . . . . 113 LYS H . 18348 1 537 . 1 1 116 116 LYS C C 13 179.428 0.40 . 1 . . . . 113 LYS C . 18348 1 538 . 1 1 116 116 LYS CA C 13 59.112 0.40 . 1 . . . . 113 LYS CA . 18348 1 539 . 1 1 116 116 LYS CB C 13 31.841 0.40 . 1 . . . . 113 LYS CB . 18348 1 540 . 1 1 116 116 LYS N N 15 119.637 0.40 . 1 . . . . 113 LYS N . 18348 1 541 . 1 1 117 117 PHE H H 1 7.681 0.04 . 1 . . . . 114 PHE H . 18348 1 542 . 1 1 117 117 PHE C C 13 176.963 0.40 . 1 . . . . 114 PHE C . 18348 1 543 . 1 1 117 117 PHE CA C 13 60.938 0.40 . 1 . . . . 114 PHE CA . 18348 1 544 . 1 1 117 117 PHE CB C 13 37.837 0.40 . 1 . . . . 114 PHE CB . 18348 1 545 . 1 1 117 117 PHE N N 15 124.248 0.40 . 1 . . . . 114 PHE N . 18348 1 546 . 1 1 118 118 PHE H H 1 9.115 0.04 . 1 . . . . 115 PHE H . 18348 1 547 . 1 1 118 118 PHE C C 13 177.234 0.40 . 1 . . . . 115 PHE C . 18348 1 548 . 1 1 118 118 PHE CA C 13 61.303 0.40 . 1 . . . . 115 PHE CA . 18348 1 549 . 1 1 118 118 PHE CB C 13 39.197 0.40 . 1 . . . . 115 PHE CB . 18348 1 550 . 1 1 118 118 PHE N N 15 125.786 0.40 . 1 . . . . 115 PHE N . 18348 1 551 . 1 1 119 119 ASP H H 1 8.668 0.04 . 1 . . . . 116 ASP H . 18348 1 552 . 1 1 119 119 ASP C C 13 178.471 0.40 . 1 . . . . 116 ASP C . 18348 1 553 . 1 1 119 119 ASP CA C 13 57.102 0.40 . 1 . . . . 116 ASP CA . 18348 1 554 . 1 1 119 119 ASP CB C 13 39.456 0.40 . 1 . . . . 116 ASP CB . 18348 1 555 . 1 1 119 119 ASP N N 15 121.680 0.40 . 1 . . . . 116 ASP N . 18348 1 556 . 1 1 120 120 ALA H H 1 7.296 0.04 . 1 . . . . 117 ALA H . 18348 1 557 . 1 1 120 120 ALA C C 13 177.486 0.40 . 1 . . . . 117 ALA C . 18348 1 558 . 1 1 120 120 ALA CA C 13 53.342 0.40 . 1 . . . . 117 ALA CA . 18348 1 559 . 1 1 120 120 ALA CB C 13 18.712 0.40 . 1 . . . . 117 ALA CB . 18348 1 560 . 1 1 120 120 ALA N N 15 120.370 0.40 . 1 . . . . 117 ALA N . 18348 1 561 . 1 1 121 121 ASN H H 1 7.017 0.04 . 1 . . . . 118 ASN H . 18348 1 562 . 1 1 121 121 ASN C C 13 173.960 0.40 . 1 . . . . 118 ASN C . 18348 1 563 . 1 1 121 121 ASN CA C 13 54.002 0.40 . 1 . . . . 118 ASN CA . 18348 1 564 . 1 1 121 121 ASN CB C 13 42.887 0.40 . 1 . . . . 118 ASN CB . 18348 1 565 . 1 1 121 121 ASN N N 15 115.061 0.40 . 1 . . . . 118 ASN N . 18348 1 566 . 1 1 122 122 TYR H H 1 7.945 0.04 . 1 . . . . 119 TYR H . 18348 1 567 . 1 1 122 122 TYR C C 13 175.269 0.40 . 1 . . . . 119 TYR C . 18348 1 568 . 1 1 122 122 TYR CA C 13 58.045 0.40 . 1 . . . . 119 TYR CA . 18348 1 569 . 1 1 122 122 TYR CB C 13 37.705 0.40 . 1 . . . . 119 TYR CB . 18348 1 570 . 1 1 122 122 TYR N N 15 124.782 0.40 . 1 . . . . 119 TYR N . 18348 1 571 . 1 1 123 123 ASP H H 1 7.919 0.04 . 1 . . . . 120 ASP H . 18348 1 572 . 1 1 123 123 ASP C C 13 176.691 0.40 . 1 . . . . 120 ASP C . 18348 1 573 . 1 1 123 123 ASP CA C 13 53.182 0.40 . 1 . . . . 120 ASP CA . 18348 1 574 . 1 1 123 123 ASP CB C 13 41.048 0.40 . 1 . . . . 120 ASP CB . 18348 1 575 . 1 1 123 123 ASP N N 15 129.605 0.40 . 1 . . . . 120 ASP N . 18348 1 576 . 1 1 124 124 GLY H H 1 5.417 0.04 . 1 . . . . 121 GLY H . 18348 1 577 . 1 1 124 124 GLY C C 13 174.345 0.40 . 1 . . . . 121 GLY C . 18348 1 578 . 1 1 124 124 GLY CA C 13 46.122 0.40 . 1 . . . . 121 GLY CA . 18348 1 579 . 1 1 124 124 GLY N N 15 107.007 0.40 . 1 . . . . 121 GLY N . 18348 1 580 . 1 1 125 125 LYS H H 1 7.446 0.04 . 1 . . . . 122 LYS H . 18348 1 581 . 1 1 125 125 LYS C C 13 176.282 0.40 . 1 . . . . 122 LYS C . 18348 1 582 . 1 1 125 125 LYS CA C 13 56.572 0.40 . 1 . . . . 122 LYS CA . 18348 1 583 . 1 1 125 125 LYS CB C 13 31.728 0.40 . 1 . . . . 122 LYS CB . 18348 1 584 . 1 1 125 125 LYS N N 15 120.810 0.40 . 1 . . . . 122 LYS N . 18348 1 585 . 1 1 126 126 ASP H H 1 8.466 0.04 . 1 . . . . 123 ASP H . 18348 1 586 . 1 1 126 126 ASP C C 13 175.436 0.40 . 1 . . . . 123 ASP C . 18348 1 587 . 1 1 126 126 ASP CA C 13 54.817 0.40 . 1 . . . . 123 ASP CA . 18348 1 588 . 1 1 126 126 ASP CB C 13 41.130 0.40 . 1 . . . . 123 ASP CB . 18348 1 589 . 1 1 126 126 ASP N N 15 124.188 0.40 . 1 . . . . 123 ASP N . 18348 1 590 . 1 1 127 127 TYR H H 1 8.308 0.04 . 1 . . . . 124 TYR H . 18348 1 591 . 1 1 127 127 TYR C C 13 173.656 0.40 . 1 . . . . 124 TYR C . 18348 1 592 . 1 1 127 127 TYR CA C 13 58.055 0.40 . 1 . . . . 124 TYR CA . 18348 1 593 . 1 1 127 127 TYR CB C 13 41.161 0.40 . 1 . . . . 124 TYR CB . 18348 1 594 . 1 1 127 127 TYR N N 15 124.590 0.40 . 1 . . . . 124 TYR N . 18348 1 595 . 1 1 128 128 ASP H H 1 7.867 0.04 . 1 . . . . 125 ASP H . 18348 1 596 . 1 1 128 128 ASP C C 13 174.577 0.40 . 1 . . . . 125 ASP C . 18348 1 597 . 1 1 128 128 ASP CA C 13 50.142 0.40 . 1 . . . . 125 ASP CA . 18348 1 598 . 1 1 128 128 ASP CB C 13 41.192 0.40 . 1 . . . . 125 ASP CB . 18348 1 599 . 1 1 128 128 ASP N N 15 128.008 0.40 . 1 . . . . 125 ASP N . 18348 1 600 . 1 1 130 130 VAL H H 1 7.565 0.04 . 1 . . . . 127 VAL H . 18348 1 601 . 1 1 130 130 VAL C C 13 177.435 0.40 . 1 . . . . 127 VAL C . 18348 1 602 . 1 1 130 130 VAL CA C 13 64.264 0.40 . 1 . . . . 127 VAL CA . 18348 1 603 . 1 1 130 130 VAL CB C 13 31.826 0.40 . 1 . . . . 127 VAL CB . 18348 1 604 . 1 1 130 130 VAL N N 15 120.620 0.40 . 1 . . . . 127 VAL N . 18348 1 605 . 1 1 131 131 ALA H H 1 7.237 0.04 . 1 . . . . 128 ALA H . 18348 1 606 . 1 1 131 131 ALA C C 13 177.787 0.40 . 1 . . . . 128 ALA C . 18348 1 607 . 1 1 131 131 ALA CA C 13 53.084 0.40 . 1 . . . . 128 ALA CA . 18348 1 608 . 1 1 131 131 ALA CB C 13 18.752 0.40 . 1 . . . . 128 ALA CB . 18348 1 609 . 1 1 131 131 ALA N N 15 124.556 0.40 . 1 . . . . 128 ALA N . 18348 1 610 . 1 1 132 132 ALA H H 1 7.184 0.04 . 1 . . . . 129 ALA H . 18348 1 611 . 1 1 132 132 ALA C C 13 176.412 0.40 . 1 . . . . 129 ALA C . 18348 1 612 . 1 1 132 132 ALA CA C 13 52.691 0.40 . 1 . . . . 129 ALA CA . 18348 1 613 . 1 1 132 132 ALA CB C 13 19.932 0.40 . 1 . . . . 129 ALA CB . 18348 1 614 . 1 1 132 132 ALA N N 15 120.445 0.40 . 1 . . . . 129 ALA N . 18348 1 615 . 1 1 133 133 ARG H H 1 7.028 0.04 . 1 . . . . 130 ARG H . 18348 1 616 . 1 1 133 133 ARG C C 13 180.470 0.40 . 1 . . . . 130 ARG C . 18348 1 617 . 1 1 133 133 ARG CA C 13 57.394 0.40 . 1 . . . . 130 ARG CA . 18348 1 618 . 1 1 133 133 ARG CB C 13 31.958 0.40 . 1 . . . . 130 ARG CB . 18348 1 619 . 1 1 133 133 ARG N N 15 123.750 0.40 . 1 . . . . 130 ARG N . 18348 1 stop_ save_