data_5286 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5286 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical shift assigments for [13C,15N]CaM:CaMKIp complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-12 _Entry.Accession_date 2002-02-13 _Entry.Last_release_date 2002-06-13 _Entry.Original_release_date 2002-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Kranz . K. . 5286 2 Eun Lee . K. . 5286 3 Angus Nairn . C. . 5286 4 A. Wand . Joshua . 5286 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5286 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 144 5286 '13C chemical shifts' 430 5286 '15N chemical shifts' 144 5286 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-06-13 2002-02-12 original author . 5286 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5227 'smMLCK:CaM complex (Calmodulin with different kinase recognition domain).' 5286 BMRB 5287 'CaM:CaMKI(1-320) complex.' 5286 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5286 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21988207 _Citation.DOI . _Citation.PubMed_ID 11904288 _Citation.Full_citation . _Citation.Title ; A Direct Test of the Reductionist Approach to Structural Studies of Calmodulin Activity: Relevance of Peptide Models of Target Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 19 _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 16351 _Citation.Page_last 16354 _Citation.Year 2002 _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 James Kranz . K. . 5286 1 2 Eun Lee . K. . 5286 1 3 Angus Nairn . C. . 5286 1 4 A. Wand . Joshua . 5286 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CaM_CaMKIp _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CaM_CaMKIp _Assembly.Entry_ID 5286 _Assembly.ID 1 _Assembly.Name 'CaM:CaMKIp complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5286 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 calmodulin 1 $CaM . . . native . . . . . 5286 1 2 'CaM-dependent kinase I (299-320)' 2 $CaMKIp . . . native . . . . . 5286 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CaM:CaMKIp complex' system 5286 1 CaM abbreviation 5286 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 5286 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calmodulin _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16706 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17360 . entity_2 . . . . . 90.91 22 100.00 100.00 4.15e-04 . . . . 5286 1 2 no BMRB 5287 . CaMKI . . . . . 90.91 340 100.00 100.00 2.21e-04 . . . . 5286 1 3 no BMRB 6798 . "CaMKI peptide" . . . . . 90.91 22 100.00 100.00 4.38e-04 . . . . 5286 1 4 no BMRB 7018 . "Cys-CaMKI peptide" . . . . . 90.91 37 100.00 100.00 2.84e-04 . . . . 5286 1 5 no PDB 1A06 . "Calmodulin-Dependent Protein Kinase From Rat" . . . . . 90.91 332 100.00 100.00 1.65e-04 . . . . 5286 1 6 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 86.36 25 100.00 100.00 2.36e-03 . . . . 5286 1 7 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 90.91 22 100.00 100.00 4.15e-04 . . . . 5286 1 8 no PDB 4FG8 . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-315 In Complex With Atp" . . . . . 72.73 315 100.00 100.00 1.05e-01 . . . . 5286 1 9 no PDB 4FG9 . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I 1-320 In Complex With Atp" . . . . . 90.91 320 100.00 100.00 2.28e-04 . . . . 5286 1 10 no PDB 4FGB . "Crystal Structure Of Human Calcium/calmodulin-dependent Protein Kinase I Apo Form" . . . . . 90.91 320 100.00 100.00 2.28e-04 . . . . 5286 1 11 no DBJ BAE22345 . "unnamed protein product [Mus musculus]" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 12 no DBJ BAE41623 . "unnamed protein product [Mus musculus]" . . . . . 90.91 216 100.00 100.00 6.20e-05 . . . . 5286 1 13 no DBJ BAG37428 . "unnamed protein product [Homo sapiens]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 14 no DBJ BAG70091 . "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 15 no DBJ BAG70221 . "calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 16 no GB AAA66944 . "CaM-like protein kinase [Rattus norvegicus]" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 17 no GB AAA99458 . "cam kinase I [Homo sapiens]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 18 no GB AAH14825 . "Calcium/calmodulin-dependent protein kinase I [Mus musculus]" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 19 no GB AAH71177 . "Calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 20 no GB AAI06755 . "Calcium/calmodulin-dependent protein kinase I [Homo sapiens]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 21 no PRF 2024225A . "Ca/calmodulin protein kinase I" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 22 no REF NP_001070336 . "calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 23 no REF NP_001177124 . "calcium/calmodulin-dependent protein kinase type 1 [Sus scrofa]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 24 no REF NP_001244800 . "calcium/calmodulin-dependent protein kinase type 1 [Macaca mulatta]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 25 no REF NP_003647 . "calcium/calmodulin-dependent protein kinase type 1 [Homo sapiens]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 26 no REF NP_598687 . "calcium/calmodulin-dependent protein kinase type 1 [Mus musculus]" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 27 no SP Q14012 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 28 no SP Q63450 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 29 no SP Q91YS8 . "RecName: Full=Calcium/calmodulin-dependent protein kinase type 1; AltName: Full=CaM kinase I; Short=CaM-KI; AltName: Full=CaM k" . . . . . 90.91 374 100.00 100.00 1.44e-04 . . . . 5286 1 30 no TPG DAA17160 . "TPA: calcium/calmodulin-dependent protein kinase type 1 [Bos taurus]" . . . . . 90.91 370 100.00 100.00 1.43e-04 . . . . 5286 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID calmodulin common 5286 1 CaM abbreviation 5286 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 5286 1 2 . ASP . 5286 1 3 . GLN . 5286 1 4 . LEU . 5286 1 5 . THR . 5286 1 6 . GLU . 5286 1 7 . GLU . 5286 1 8 . GLN . 5286 1 9 . ILE . 5286 1 10 . ALA . 5286 1 11 . GLU . 5286 1 12 . PHE . 5286 1 13 . LYS . 5286 1 14 . GLU . 5286 1 15 . ALA . 5286 1 16 . PHE . 5286 1 17 . SER . 5286 1 18 . LEU . 5286 1 19 . PHE . 5286 1 20 . ASP . 5286 1 21 . LYS . 5286 1 22 . ASP . 5286 1 23 . GLY . 5286 1 24 . ASP . 5286 1 25 . GLY . 5286 1 26 . THR . 5286 1 27 . ILE . 5286 1 28 . THR . 5286 1 29 . THR . 5286 1 30 . LYS . 5286 1 31 . GLU . 5286 1 32 . LEU . 5286 1 33 . GLY . 5286 1 34 . THR . 5286 1 35 . VAL . 5286 1 36 . MET . 5286 1 37 . ARG . 5286 1 38 . SER . 5286 1 39 . LEU . 5286 1 40 . GLY . 5286 1 41 . GLN . 5286 1 42 . ASN . 5286 1 43 . PRO . 5286 1 44 . THR . 5286 1 45 . GLU . 5286 1 46 . ALA . 5286 1 47 . GLU . 5286 1 48 . LEU . 5286 1 49 . GLN . 5286 1 50 . ASP . 5286 1 51 . MET . 5286 1 52 . ILE . 5286 1 53 . ASN . 5286 1 54 . GLU . 5286 1 55 . VAL . 5286 1 56 . ASP . 5286 1 57 . ALA . 5286 1 58 . ASP . 5286 1 59 . GLY . 5286 1 60 . ASN . 5286 1 61 . GLY . 5286 1 62 . THR . 5286 1 63 . ILE . 5286 1 64 . ASP . 5286 1 65 . PHE . 5286 1 66 . PRO . 5286 1 67 . GLU . 5286 1 68 . PHE . 5286 1 69 . LEU . 5286 1 70 . THR . 5286 1 71 . MET . 5286 1 72 . MET . 5286 1 73 . ALA . 5286 1 74 . ARG . 5286 1 75 . LYS . 5286 1 76 . MET . 5286 1 77 . LYS . 5286 1 78 . ASP . 5286 1 79 . THR . 5286 1 80 . ASP . 5286 1 81 . SER . 5286 1 82 . GLU . 5286 1 83 . GLU . 5286 1 84 . GLU . 5286 1 85 . ILE . 5286 1 86 . ARG . 5286 1 87 . GLU . 5286 1 88 . ALA . 5286 1 89 . PHE . 5286 1 90 . ARG . 5286 1 91 . VAL . 5286 1 92 . PHE . 5286 1 93 . ASP . 5286 1 94 . LYS . 5286 1 95 . ASP . 5286 1 96 . GLY . 5286 1 97 . ASN . 5286 1 98 . GLY . 5286 1 99 . TYR . 5286 1 100 . ILE . 5286 1 101 . SER . 5286 1 102 . ALA . 5286 1 103 . ALA . 5286 1 104 . GLU . 5286 1 105 . LEU . 5286 1 106 . ARG . 5286 1 107 . HIS . 5286 1 108 . VAL . 5286 1 109 . MET . 5286 1 110 . THR . 5286 1 111 . ASN . 5286 1 112 . LEU . 5286 1 113 . GLY . 5286 1 114 . GLU . 5286 1 115 . LYS . 5286 1 116 . LEU . 5286 1 117 . THR . 5286 1 118 . ASP . 5286 1 119 . GLU . 5286 1 120 . GLU . 5286 1 121 . VAL . 5286 1 122 . ASP . 5286 1 123 . GLU . 5286 1 124 . MET . 5286 1 125 . ILE . 5286 1 126 . ARG . 5286 1 127 . GLU . 5286 1 128 . ALA . 5286 1 129 . ASP . 5286 1 130 . ILE . 5286 1 131 . ASP . 5286 1 132 . GLY . 5286 1 133 . ASP . 5286 1 134 . GLY . 5286 1 135 . GLN . 5286 1 136 . VAL . 5286 1 137 . ASN . 5286 1 138 . TYR . 5286 1 139 . GLU . 5286 1 140 . GLU . 5286 1 141 . PHE . 5286 1 142 . VAL . 5286 1 143 . GLN . 5286 1 144 . MET . 5286 1 145 . MET . 5286 1 146 . THR . 5286 1 147 . ALA . 5286 1 148 . LYS . 5286 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 5286 1 . ASP 2 2 5286 1 . GLN 3 3 5286 1 . LEU 4 4 5286 1 . THR 5 5 5286 1 . GLU 6 6 5286 1 . GLU 7 7 5286 1 . GLN 8 8 5286 1 . ILE 9 9 5286 1 . ALA 10 10 5286 1 . GLU 11 11 5286 1 . PHE 12 12 5286 1 . LYS 13 13 5286 1 . GLU 14 14 5286 1 . ALA 15 15 5286 1 . PHE 16 16 5286 1 . SER 17 17 5286 1 . LEU 18 18 5286 1 . PHE 19 19 5286 1 . ASP 20 20 5286 1 . LYS 21 21 5286 1 . ASP 22 22 5286 1 . GLY 23 23 5286 1 . ASP 24 24 5286 1 . GLY 25 25 5286 1 . THR 26 26 5286 1 . ILE 27 27 5286 1 . THR 28 28 5286 1 . THR 29 29 5286 1 . LYS 30 30 5286 1 . GLU 31 31 5286 1 . LEU 32 32 5286 1 . GLY 33 33 5286 1 . THR 34 34 5286 1 . VAL 35 35 5286 1 . MET 36 36 5286 1 . ARG 37 37 5286 1 . SER 38 38 5286 1 . LEU 39 39 5286 1 . GLY 40 40 5286 1 . GLN 41 41 5286 1 . ASN 42 42 5286 1 . PRO 43 43 5286 1 . THR 44 44 5286 1 . GLU 45 45 5286 1 . ALA 46 46 5286 1 . GLU 47 47 5286 1 . LEU 48 48 5286 1 . GLN 49 49 5286 1 . ASP 50 50 5286 1 . MET 51 51 5286 1 . ILE 52 52 5286 1 . ASN 53 53 5286 1 . GLU 54 54 5286 1 . VAL 55 55 5286 1 . ASP 56 56 5286 1 . ALA 57 57 5286 1 . ASP 58 58 5286 1 . GLY 59 59 5286 1 . ASN 60 60 5286 1 . GLY 61 61 5286 1 . THR 62 62 5286 1 . ILE 63 63 5286 1 . ASP 64 64 5286 1 . PHE 65 65 5286 1 . PRO 66 66 5286 1 . GLU 67 67 5286 1 . PHE 68 68 5286 1 . LEU 69 69 5286 1 . THR 70 70 5286 1 . MET 71 71 5286 1 . MET 72 72 5286 1 . ALA 73 73 5286 1 . ARG 74 74 5286 1 . LYS 75 75 5286 1 . MET 76 76 5286 1 . LYS 77 77 5286 1 . ASP 78 78 5286 1 . THR 79 79 5286 1 . ASP 80 80 5286 1 . SER 81 81 5286 1 . GLU 82 82 5286 1 . GLU 83 83 5286 1 . GLU 84 84 5286 1 . ILE 85 85 5286 1 . ARG 86 86 5286 1 . GLU 87 87 5286 1 . ALA 88 88 5286 1 . PHE 89 89 5286 1 . ARG 90 90 5286 1 . VAL 91 91 5286 1 . PHE 92 92 5286 1 . ASP 93 93 5286 1 . LYS 94 94 5286 1 . ASP 95 95 5286 1 . GLY 96 96 5286 1 . ASN 97 97 5286 1 . GLY 98 98 5286 1 . TYR 99 99 5286 1 . ILE 100 100 5286 1 . SER 101 101 5286 1 . ALA 102 102 5286 1 . ALA 103 103 5286 1 . GLU 104 104 5286 1 . LEU 105 105 5286 1 . ARG 106 106 5286 1 . HIS 107 107 5286 1 . VAL 108 108 5286 1 . MET 109 109 5286 1 . THR 110 110 5286 1 . ASN 111 111 5286 1 . LEU 112 112 5286 1 . GLY 113 113 5286 1 . GLU 114 114 5286 1 . LYS 115 115 5286 1 . LEU 116 116 5286 1 . THR 117 117 5286 1 . ASP 118 118 5286 1 . GLU 119 119 5286 1 . GLU 120 120 5286 1 . VAL 121 121 5286 1 . ASP 122 122 5286 1 . GLU 123 123 5286 1 . MET 124 124 5286 1 . ILE 125 125 5286 1 . ARG 126 126 5286 1 . GLU 127 127 5286 1 . ALA 128 128 5286 1 . ASP 129 129 5286 1 . ILE 130 130 5286 1 . ASP 131 131 5286 1 . GLY 132 132 5286 1 . ASP 133 133 5286 1 . GLY 134 134 5286 1 . GLN 135 135 5286 1 . VAL 136 136 5286 1 . ASN 137 137 5286 1 . TYR 138 138 5286 1 . GLU 139 139 5286 1 . GLU 140 140 5286 1 . PHE 141 141 5286 1 . VAL 142 142 5286 1 . GLN 143 143 5286 1 . MET 144 144 5286 1 . MET 145 145 5286 1 . THR 146 146 5286 1 . ALA 147 147 5286 1 . LYS 148 148 5286 1 stop_ save_ save_CaMKIp _Entity.Sf_category entity _Entity.Sf_framecode CaMKIp _Entity.Entry_ID 5286 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'CaM-binding sequence(299-320) from CaMKI' _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 ; XKSKWKQAFNATAVVRHMRK LQX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; 22 residue CaMKIp peptide is N-terminally acetylated and C-terminally amidated. ; _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q63450 . 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . SWISS-PROT Q91YS8 . 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . REF XP_001095449 . 'PREDICTED: calcium/calmodulin-dependent protein kinase I [Macaca mulatta]' . . . . . 90.91 370 100.00 100.00 7.38e-04 . . . . 5286 2 . . SWISS-PROT Q14012 . 'Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I) (CaM-KI) (CaM kinase I alpha) (CaMKI-alpha)' . . . . . 90.91 370 100.00 100.00 7.38e-04 . . . . 5286 2 . . REF NP_598687 . 'calcium/calmodulin-dependent protein kinase I [Mus musculus]' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . REF NP_604463 . 'calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . REF NP_001070336 . 'calcium/calmodulin-dependent protein kinase I [Bos taurus]' . . . . . 90.91 370 100.00 100.00 7.38e-04 . . . . 5286 2 . . REF NP_003647 . 'calcium/calmodulin-dependent protein kinase I [Homo sapiens]' . . . . . 90.91 370 100.00 100.00 7.38e-04 . . . . 5286 2 . . GenBank AAI06755 . 'Calcium/calmodulin-dependent protein kinase I [Homo sapiens]' . . . . . 90.91 370 100.00 100.00 7.38e-04 . . . . 5286 2 . . PRF 2024225A . 'Ca/calmodulin protein kinase I' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . GenBank AAH14825 . 'Calcium/calmodulin-dependent protein kinase I [Mus musculus]' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . GenBank AAH71177 . 'Calcium/calmodulin-dependent protein kinase I [Rattus norvegicus]' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . GenBank AAA66944 . 'CaM-like protein kinase' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . GenBank AAA99458 . 'cam kinase I' . . . . . 90.91 370 100.00 100.00 7.38e-04 . . . . 5286 2 . . DBJ BAE41623 . 'unnamed protein product [Mus musculus]' . . . . . 90.91 216 100.00 100.00 7.38e-04 . . . . 5286 2 . . DBJ BAG37428 . 'unnamed protein product [Homo sapiens]' . . . . . 90.91 370 100.00 100.00 7.38e-04 . . . . 5286 2 . . PDB 1MXE . 'Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki' . . . . . 86.36 25 100.00 100.00 5.61e-02 . . . . 5286 2 . . DBJ BAE22345 . 'unnamed protein product [Mus musculus]' . . . . . 90.91 374 100.00 100.00 7.38e-04 . . . . 5286 2 . . BMRB 5287 . 'Ca2+/CaM-dependent (rat) protein kinase I' . . . . . 90.91 340 100.00 100.00 1.15e-03 . . . . 5286 2 . . PDB 1A06 . 'Calmodulin-Dependent Protein Kinase From Rat' . . . . . 90.91 332 100.00 100.00 9.17e-04 . . . . 5286 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CaM-binding sequence(299-320) from CaMKI' common 5286 2 CaMKIp abbreviation 5286 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 1 299 AYA . 5286 2 2 300 LYS . 5286 2 3 301 SER . 5286 2 4 302 LYS . 5286 2 5 303 TRP . 5286 2 6 304 LYS . 5286 2 7 305 GLN . 5286 2 8 306 ALA . 5286 2 9 307 PHE . 5286 2 10 308 ASN . 5286 2 11 309 ALA . 5286 2 12 310 THR . 5286 2 13 311 ALA . 5286 2 14 312 VAL . 5286 2 15 313 VAL . 5286 2 16 314 ARG . 5286 2 17 315 HIS . 5286 2 18 316 MET . 5286 2 19 317 ARG . 5286 2 20 318 LYS . 5286 2 21 319 LEU . 5286 2 22 320 GLN . 5286 2 23 321 NH2 . 5286 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 . AYA 1 1 5286 2 . LYS 2 2 5286 2 . SER 3 3 5286 2 . LYS 4 4 5286 2 . TRP 5 5 5286 2 . LYS 6 6 5286 2 . GLN 7 7 5286 2 . ALA 8 8 5286 2 . PHE 9 9 5286 2 . ASN 10 10 5286 2 . ALA 11 11 5286 2 . THR 12 12 5286 2 . ALA 13 13 5286 2 . VAL 14 14 5286 2 . VAL 15 15 5286 2 . ARG 16 16 5286 2 . HIS 17 17 5286 2 . MET 18 18 5286 2 . ARG 19 19 5286 2 . LYS 20 20 5286 2 . LEU 21 21 5286 2 . GLN 22 22 5286 2 . NH2 23 23 5286 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 5286 _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 $CaM . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 5286 1 2 2 $CaMKIp . 10116 organism . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5286 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 5286 _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 $CaM . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5286 1 2 2 $CaMKIp . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5286 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AYA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AYA _Chem_comp.Entry_ID 5286 _Chem_comp.ID AYA _Chem_comp.Provenance . _Chem_comp.Name N-ACETYLALANINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code AYA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code AYA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID ALA _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O3' _Chem_comp.Formula_weight 131.130 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AH4 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:34:22 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=C(NC(C(=O)O)C)C SMILES ACDLabs 10.04 5286 AYA C[C@H](NC(C)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 5286 AYA C[CH](NC(C)=O)C(O)=O SMILES CACTVS 3.341 5286 AYA C[C@@H](C(=O)O)NC(=O)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5286 AYA CC(C(=O)O)NC(=O)C SMILES 'OpenEye OEToolkits' 1.5.0 5286 AYA InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1 InChI InChI 1.03 5286 AYA KTHDTJVBEPMMGL-VKHMYHEASA-N InChIKey InChI 1.03 5286 AYA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-acetyl-L-alanine 'SYSTEMATIC NAME' ACDLabs 10.04 5286 AYA '(2S)-2-acetamidopropanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5286 AYA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 44.622 . 32.559 . 107.594 . -0.348 -0.312 0.665 1 . 5286 AYA CA . CA . . C . . S 0 . . . . no no . . . . 43.401 . 33.356 . 107.549 . 0.492 0.079 -0.468 2 . 5286 AYA CB . CB . . C . . N 0 . . . . no no . . . . 43.788 . 34.825 . 107.681 . 1.614 -0.945 -0.648 3 . 5286 AYA C . C . . C . . N 0 . . . . no no . . . . 42.519 . 33.186 . 106.308 . -0.344 0.133 -1.719 4 . 5286 AYA O . O . . O . . N 0 . . . . no no . . . . 41.309 . 33.373 . 106.377 . -1.523 -0.128 -1.669 5 . 5286 AYA OXT . OXT . . O . . N 0 . . . . no yes . . . . 43.167 . 32.860 . 105.184 . 0.218 0.471 -2.890 6 . 5286 AYA CT . CT . . C . . N 0 . . . . no no . . . . 44.582 . 31.225 . 107.628 . -0.054 0.126 1.905 7 . 5286 AYA OT . OT . . O . . N 0 . . . . no no . . . . 43.881 . 30.626 . 108.445 . 0.906 0.845 2.083 8 . 5286 AYA CM . CM . . C . . N 0 . . . . no no . . . . 45.343 . 30.495 . 106.529 . -0.919 -0.276 3.072 9 . 5286 AYA H . H . . H . . N 0 . . . . no no . . . . 45.386 . 32.953 . 108.073 . -1.116 -0.887 0.524 10 . 5286 AYA HA . HA . . H . . N 0 . . . . no no . . . . 42.773 . 32.983 . 108.392 . 0.925 1.061 -0.277 11 . 5286 AYA HB1 . HB1 . . H . . N 0 . . . . no no . . . . 42.854 . 35.434 . 107.646 . 1.182 -1.927 -0.839 12 . 5286 AYA HB2 . HB2 . . H . . N 0 . . . . no no . . . . 44.401 . 35.028 . 108.589 . 2.240 -0.653 -1.492 13 . 5286 AYA HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.537 . 35.142 . 106.919 . 2.220 -0.984 0.256 14 . 5286 AYA HXT . HXT . . H . . N 0 . . . . no yes . . . . 42.620 . 32.754 . 104.414 . -0.319 0.506 -3.693 15 . 5286 AYA HM1 . HM1 . . H . . N 0 . . . . no no . . . . 45.309 . 29.380 . 106.557 . -0.528 0.171 3.986 16 . 5286 AYA HM2 . HM2 . . H . . N 0 . . . . no no . . . . 44.999 . 30.855 . 105.531 . -1.938 0.070 2.905 17 . 5286 AYA HM3 . HM3 . . H . . N 0 . . . . no no . . . . 46.403 . 30.838 . 106.515 . -0.915 -1.362 3.169 18 . 5286 AYA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 5286 AYA 2 . SING N CT no N 2 . 5286 AYA 3 . SING N H no N 3 . 5286 AYA 4 . SING CA CB no N 4 . 5286 AYA 5 . SING CA C no N 5 . 5286 AYA 6 . SING CA HA no N 6 . 5286 AYA 7 . SING CB HB1 no N 7 . 5286 AYA 8 . SING CB HB2 no N 8 . 5286 AYA 9 . SING CB HB3 no N 9 . 5286 AYA 10 . DOUB C O no N 10 . 5286 AYA 11 . SING C OXT no N 11 . 5286 AYA 12 . SING OXT HXT no N 12 . 5286 AYA 13 . DOUB CT OT no N 13 . 5286 AYA 14 . SING CT CM no N 14 . 5286 AYA 15 . SING CM HM1 no N 15 . 5286 AYA 16 . SING CM HM2 no N 16 . 5286 AYA 17 . SING CM HM3 no N 17 . 5286 AYA stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 5286 _Chem_comp.ID NH2 _Chem_comp.Provenance . _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:42:14 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID N SMILES ACDLabs 10.04 5286 NH2 InChI=1/H3N/h1H3 InChI InChI 1.02b 5286 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 5286 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 5286 NH2 [NH2] SMILES CACTVS 3.341 5286 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5286 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 5286 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 5286 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5286 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 5286 NH2 HN1 . HN1 . . H . . N 0 . . . . no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 5286 NH2 HN2 . HN2 . . H . . N 0 . . . . no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 5286 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 5286 NH2 2 . SING N HN2 no N 2 . 5286 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5286 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $CaM . . 2 . . mM . . . . 5286 1 2 'CaM-binding sequence(299-320) from CaMKI' . . . 2 $CaMKIp . . 2.25 . . mM . . . . 5286 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5286 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5286 1 temperature 303 0.5 K 5286 1 'ionic strength' 0.16 0.01 M 5286 1 stop_ save_ ############################ # Computer software used # ############################ save_felix _Software.Sf_category software _Software.Sf_framecode felix _Software.Entry_ID 5286 _Software.ID 1 _Software.Name felix _Software.Version 97.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5286 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5286 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 750 . . . 5286 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 5286 _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 1H-15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5286 1 2 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5286 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5286 1 4 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5286 1 5 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5286 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5286 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5286 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5286 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5286 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5286 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5286 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5286 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5286 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5286 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5286 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5286 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP C C 13 175.696 0.150 . 1 . . . . . . . . 5286 1 2 . 1 1 2 2 ASP CA C 13 54.993 0.410 . 1 . . . . . . . . 5286 1 3 . 1 1 2 2 ASP CB C 13 41.539 0.410 . 1 . . . . . . . . 5286 1 4 . 1 1 3 3 GLN H H 1 8.373 0.037 . 1 . . . . . . . . 5286 1 5 . 1 1 3 3 GLN C C 13 175.832 0.150 . 1 . . . . . . . . 5286 1 6 . 1 1 3 3 GLN CA C 13 55.783 0.410 . 1 . . . . . . . . 5286 1 7 . 1 1 3 3 GLN CB C 13 30.202 0.410 . 1 . . . . . . . . 5286 1 8 . 1 1 3 3 GLN N N 15 119.912 0.290 . 1 . . . . . . . . 5286 1 9 . 1 1 4 4 LEU H H 1 8.317 0.038 . 1 . . . . . . . . 5286 1 10 . 1 1 4 4 LEU C C 13 177.700 0.150 . 1 . . . . . . . . 5286 1 11 . 1 1 4 4 LEU CA C 13 54.442 0.410 . 1 . . . . . . . . 5286 1 12 . 1 1 4 4 LEU CB C 13 43.901 0.410 . 1 . . . . . . . . 5286 1 13 . 1 1 4 4 LEU N N 15 122.911 0.302 . 1 . . . . . . . . 5286 1 14 . 1 1 5 5 THR H H 1 8.767 0.046 . 1 . . . . . . . . 5286 1 15 . 1 1 5 5 THR C C 13 175.650 0.150 . 1 . . . . . . . . 5286 1 16 . 1 1 5 5 THR CA C 13 60.557 0.410 . 1 . . . . . . . . 5286 1 17 . 1 1 5 5 THR CB C 13 71.413 0.410 . 1 . . . . . . . . 5286 1 18 . 1 1 5 5 THR N N 15 113.052 0.324 . 1 . . . . . . . . 5286 1 19 . 1 1 6 6 GLU H H 1 9.071 0.041 . 1 . . . . . . . . 5286 1 20 . 1 1 6 6 GLU C C 13 179.689 0.150 . 1 . . . . . . . . 5286 1 21 . 1 1 6 6 GLU CA C 13 60.325 0.410 . 1 . . . . . . . . 5286 1 22 . 1 1 6 6 GLU CB C 13 29.415 0.410 . 1 . . . . . . . . 5286 1 23 . 1 1 6 6 GLU N N 15 120.689 0.281 . 1 . . . . . . . . 5286 1 24 . 1 1 7 7 GLU H H 1 8.749 0.040 . 1 . . . . . . . . 5286 1 25 . 1 1 7 7 GLU C C 13 179.640 0.150 . 1 . . . . . . . . 5286 1 26 . 1 1 7 7 GLU CA C 13 60.229 0.410 . 1 . . . . . . . . 5286 1 27 . 1 1 7 7 GLU CB C 13 29.200 0.410 . 1 . . . . . . . . 5286 1 28 . 1 1 7 7 GLU N N 15 119.558 0.269 . 1 . . . . . . . . 5286 1 29 . 1 1 8 8 GLN H H 1 7.748 0.046 . 1 . . . . . . . . 5286 1 30 . 1 1 8 8 GLN C C 13 177.549 0.150 . 1 . . . . . . . . 5286 1 31 . 1 1 8 8 GLN CA C 13 58.846 0.410 . 1 . . . . . . . . 5286 1 32 . 1 1 8 8 GLN CB C 13 29.088 0.410 . 1 . . . . . . . . 5286 1 33 . 1 1 8 8 GLN N N 15 121.319 0.292 . 1 . . . . . . . . 5286 1 34 . 1 1 9 9 ILE H H 1 8.345 0.044 . 1 . . . . . . . . 5286 1 35 . 1 1 9 9 ILE C C 13 177.986 0.150 . 1 . . . . . . . . 5286 1 36 . 1 1 9 9 ILE CA C 13 66.892 0.410 . 1 . . . . . . . . 5286 1 37 . 1 1 9 9 ILE CB C 13 38.239 0.410 . 1 . . . . . . . . 5286 1 38 . 1 1 9 9 ILE N N 15 119.426 0.301 . 1 . . . . . . . . 5286 1 39 . 1 1 10 10 ALA H H 1 7.977 0.042 . 1 . . . . . . . . 5286 1 40 . 1 1 10 10 ALA C C 13 180.968 0.150 . 1 . . . . . . . . 5286 1 41 . 1 1 10 10 ALA CA C 13 55.569 0.410 . 1 . . . . . . . . 5286 1 42 . 1 1 10 10 ALA CB C 13 18.190 0.410 . 1 . . . . . . . . 5286 1 43 . 1 1 10 10 ALA N N 15 121.045 0.435 . 1 . . . . . . . . 5286 1 44 . 1 1 11 11 GLU H H 1 7.854 0.043 . 1 . . . . . . . . 5286 1 45 . 1 1 11 11 GLU C C 13 181.103 0.150 . 1 . . . . . . . . 5286 1 46 . 1 1 11 11 GLU CA C 13 59.653 0.410 . 1 . . . . . . . . 5286 1 47 . 1 1 11 11 GLU CB C 13 29.635 0.410 . 1 . . . . . . . . 5286 1 48 . 1 1 11 11 GLU N N 15 120.465 0.290 . 1 . . . . . . . . 5286 1 49 . 1 1 12 12 PHE H H 1 9.047 0.041 . 1 . . . . . . . . 5286 1 50 . 1 1 12 12 PHE C C 13 178.869 0.150 . 1 . . . . . . . . 5286 1 51 . 1 1 12 12 PHE CA C 13 57.846 0.410 . 1 . . . . . . . . 5286 1 52 . 1 1 12 12 PHE CB C 13 36.549 0.410 . 1 . . . . . . . . 5286 1 53 . 1 1 12 12 PHE N N 15 122.044 0.282 . 1 . . . . . . . . 5286 1 54 . 1 1 13 13 LYS H H 1 9.348 0.040 . 1 . . . . . . . . 5286 1 55 . 1 1 13 13 LYS C C 13 179.396 0.150 . 1 . . . . . . . . 5286 1 56 . 1 1 13 13 LYS CA C 13 60.231 0.410 . 1 . . . . . . . . 5286 1 57 . 1 1 13 13 LYS CB C 13 31.906 0.410 . 1 . . . . . . . . 5286 1 58 . 1 1 13 13 LYS N N 15 125.228 0.293 . 1 . . . . . . . . 5286 1 59 . 1 1 14 14 GLU H H 1 7.863 0.036 . 1 . . . . . . . . 5286 1 60 . 1 1 14 14 GLU C C 13 180.361 0.150 . 1 . . . . . . . . 5286 1 61 . 1 1 14 14 GLU CA C 13 59.658 0.410 . 1 . . . . . . . . 5286 1 62 . 1 1 14 14 GLU CB C 13 29.313 0.410 . 1 . . . . . . . . 5286 1 63 . 1 1 14 14 GLU N N 15 119.688 0.264 . 1 . . . . . . . . 5286 1 64 . 1 1 15 15 ALA H H 1 8.100 0.043 . 1 . . . . . . . . 5286 1 65 . 1 1 15 15 ALA C C 13 178.665 0.150 . 1 . . . . . . . . 5286 1 66 . 1 1 15 15 ALA CA C 13 55.780 0.410 . 1 . . . . . . . . 5286 1 67 . 1 1 15 15 ALA CB C 13 18.203 0.410 . 1 . . . . . . . . 5286 1 68 . 1 1 15 15 ALA N N 15 122.791 0.275 . 1 . . . . . . . . 5286 1 69 . 1 1 16 16 PHE H H 1 8.822 0.044 . 1 . . . . . . . . 5286 1 70 . 1 1 16 16 PHE C C 13 177.936 0.150 . 1 . . . . . . . . 5286 1 71 . 1 1 16 16 PHE CA C 13 62.253 0.410 . 1 . . . . . . . . 5286 1 72 . 1 1 16 16 PHE CB C 13 39.952 0.410 . 1 . . . . . . . . 5286 1 73 . 1 1 16 16 PHE N N 15 119.651 0.285 . 1 . . . . . . . . 5286 1 74 . 1 1 17 17 SER H H 1 8.210 0.040 . 1 . . . . . . . . 5286 1 75 . 1 1 17 17 SER C C 13 174.632 0.150 . 1 . . . . . . . . 5286 1 76 . 1 1 17 17 SER CA C 13 61.691 0.410 . 1 . . . . . . . . 5286 1 77 . 1 1 17 17 SER CB C 13 63.401 0.410 . 1 . . . . . . . . 5286 1 78 . 1 1 17 17 SER N N 15 113.409 0.280 . 1 . . . . . . . . 5286 1 79 . 1 1 18 18 LEU H H 1 7.315 0.041 . 1 . . . . . . . . 5286 1 80 . 1 1 18 18 LEU C C 13 177.660 0.150 . 1 . . . . . . . . 5286 1 81 . 1 1 18 18 LEU CA C 13 57.608 0.410 . 1 . . . . . . . . 5286 1 82 . 1 1 18 18 LEU CB C 13 41.863 0.410 . 1 . . . . . . . . 5286 1 83 . 1 1 18 18 LEU N N 15 119.934 0.274 . 1 . . . . . . . . 5286 1 84 . 1 1 19 19 PHE H H 1 7.171 0.044 . 1 . . . . . . . . 5286 1 85 . 1 1 19 19 PHE C C 13 176.698 0.150 . 1 . . . . . . . . 5286 1 86 . 1 1 19 19 PHE CA C 13 59.886 0.410 . 1 . . . . . . . . 5286 1 87 . 1 1 19 19 PHE CB C 13 41.755 0.410 . 1 . . . . . . . . 5286 1 88 . 1 1 19 19 PHE N N 15 114.214 0.281 . 1 . . . . . . . . 5286 1 89 . 1 1 20 20 ASP H H 1 7.803 0.047 . 1 . . . . . . . . 5286 1 90 . 1 1 20 20 ASP C C 13 177.234 0.150 . 1 . . . . . . . . 5286 1 91 . 1 1 20 20 ASP CA C 13 52.516 0.410 . 1 . . . . . . . . 5286 1 92 . 1 1 20 20 ASP CB C 13 39.584 0.410 . 1 . . . . . . . . 5286 1 93 . 1 1 20 20 ASP N N 15 117.527 0.292 . 1 . . . . . . . . 5286 1 94 . 1 1 21 21 LYS H H 1 7.699 0.040 . 1 . . . . . . . . 5286 1 95 . 1 1 21 21 LYS C C 13 178.447 0.150 . 1 . . . . . . . . 5286 1 96 . 1 1 21 21 LYS CA C 13 58.410 0.410 . 1 . . . . . . . . 5286 1 97 . 1 1 21 21 LYS CB C 13 33.040 0.410 . 1 . . . . . . . . 5286 1 98 . 1 1 21 21 LYS N N 15 124.206 0.274 . 1 . . . . . . . . 5286 1 99 . 1 1 22 22 ASP H H 1 8.076 0.041 . 1 . . . . . . . . 5286 1 100 . 1 1 22 22 ASP C C 13 177.852 0.150 . 1 . . . . . . . . 5286 1 101 . 1 1 22 22 ASP CA C 13 52.972 0.410 . 1 . . . . . . . . 5286 1 102 . 1 1 22 22 ASP CB C 13 39.723 0.410 . 1 . . . . . . . . 5286 1 103 . 1 1 22 22 ASP N N 15 114.252 0.290 . 1 . . . . . . . . 5286 1 104 . 1 1 23 23 GLY H H 1 7.740 0.042 . 1 . . . . . . . . 5286 1 105 . 1 1 23 23 GLY C C 13 175.405 0.150 . 1 . . . . . . . . 5286 1 106 . 1 1 23 23 GLY CA C 13 47.431 0.410 . 1 . . . . . . . . 5286 1 107 . 1 1 23 23 GLY N N 15 109.650 0.291 . 1 . . . . . . . . 5286 1 108 . 1 1 24 24 ASP H H 1 8.526 0.042 . 1 . . . . . . . . 5286 1 109 . 1 1 24 24 ASP C C 13 177.552 0.150 . 1 . . . . . . . . 5286 1 110 . 1 1 24 24 ASP CA C 13 53.872 0.410 . 1 . . . . . . . . 5286 1 111 . 1 1 24 24 ASP CB C 13 40.725 0.410 . 1 . . . . . . . . 5286 1 112 . 1 1 24 24 ASP N N 15 121.256 0.306 . 1 . . . . . . . . 5286 1 113 . 1 1 25 25 GLY H H 1 10.617 0.047 . 1 . . . . . . . . 5286 1 114 . 1 1 25 25 GLY C C 13 174.057 0.150 . 1 . . . . . . . . 5286 1 115 . 1 1 25 25 GLY CA C 13 45.602 0.410 . 1 . . . . . . . . 5286 1 116 . 1 1 25 25 GLY N N 15 113.070 0.284 . 1 . . . . . . . . 5286 1 117 . 1 1 26 26 THR H H 1 8.243 0.042 . 1 . . . . . . . . 5286 1 118 . 1 1 26 26 THR C C 13 173.455 0.150 . 1 . . . . . . . . 5286 1 119 . 1 1 26 26 THR CA C 13 59.762 0.410 . 1 . . . . . . . . 5286 1 120 . 1 1 26 26 THR CB C 13 73.008 0.410 . 1 . . . . . . . . 5286 1 121 . 1 1 26 26 THR N N 15 112.165 0.304 . 1 . . . . . . . . 5286 1 122 . 1 1 27 27 ILE H H 1 9.920 0.047 . 1 . . . . . . . . 5286 1 123 . 1 1 27 27 ILE C C 13 176.331 0.150 . 1 . . . . . . . . 5286 1 124 . 1 1 27 27 ILE CA C 13 61.122 0.410 . 1 . . . . . . . . 5286 1 125 . 1 1 27 27 ILE CB C 13 40.273 0.410 . 1 . . . . . . . . 5286 1 126 . 1 1 27 27 ILE N N 15 126.644 0.288 . 1 . . . . . . . . 5286 1 127 . 1 1 28 28 THR H H 1 8.545 0.050 . 1 . . . . . . . . 5286 1 128 . 1 1 28 28 THR C C 13 176.916 0.150 . 1 . . . . . . . . 5286 1 129 . 1 1 28 28 THR CA C 13 59.655 0.410 . 1 . . . . . . . . 5286 1 130 . 1 1 28 28 THR CB C 13 72.776 0.410 . 1 . . . . . . . . 5286 1 131 . 1 1 28 28 THR N N 15 116.860 0.337 . 1 . . . . . . . . 5286 1 132 . 1 1 29 29 THR H H 1 9.316 0.043 . 1 . . . . . . . . 5286 1 133 . 1 1 29 29 THR C C 13 177.559 0.150 . 1 . . . . . . . . 5286 1 134 . 1 1 29 29 THR CA C 13 66.433 0.410 . 1 . . . . . . . . 5286 1 135 . 1 1 29 29 THR CB C 13 67.912 0.410 . 1 . . . . . . . . 5286 1 136 . 1 1 29 29 THR N N 15 112.468 0.288 . 1 . . . . . . . . 5286 1 137 . 1 1 30 30 LYS H H 1 7.602 0.043 . 1 . . . . . . . . 5286 1 138 . 1 1 30 30 LYS C C 13 180.168 0.150 . 1 . . . . . . . . 5286 1 139 . 1 1 30 30 LYS CA C 13 59.322 0.410 . 1 . . . . . . . . 5286 1 140 . 1 1 30 30 LYS CB C 13 32.799 0.410 . 1 . . . . . . . . 5286 1 141 . 1 1 30 30 LYS N N 15 121.364 0.294 . 1 . . . . . . . . 5286 1 142 . 1 1 31 31 GLU H H 1 7.805 0.047 . 1 . . . . . . . . 5286 1 143 . 1 1 31 31 GLU C C 13 179.507 0.150 . 1 . . . . . . . . 5286 1 144 . 1 1 31 31 GLU CA C 13 59.656 0.410 . 1 . . . . . . . . 5286 1 145 . 1 1 31 31 GLU CB C 13 29.866 0.410 . 1 . . . . . . . . 5286 1 146 . 1 1 31 31 GLU N N 15 122.385 0.297 . 1 . . . . . . . . 5286 1 147 . 1 1 32 32 LEU H H 1 8.776 0.043 . 1 . . . . . . . . 5286 1 148 . 1 1 32 32 LEU C C 13 179.104 0.150 . 1 . . . . . . . . 5286 1 149 . 1 1 32 32 LEU CA C 13 58.516 0.410 . 1 . . . . . . . . 5286 1 150 . 1 1 32 32 LEU CB C 13 42.787 0.410 . 1 . . . . . . . . 5286 1 151 . 1 1 32 32 LEU N N 15 120.653 0.291 . 1 . . . . . . . . 5286 1 152 . 1 1 33 33 GLY H H 1 8.910 0.043 . 1 . . . . . . . . 5286 1 153 . 1 1 33 33 GLY C C 13 175.261 0.150 . 1 . . . . . . . . 5286 1 154 . 1 1 33 33 GLY CA C 13 48.544 0.410 . 1 . . . . . . . . 5286 1 155 . 1 1 33 33 GLY N N 15 106.036 0.297 . 1 . . . . . . . . 5286 1 156 . 1 1 34 34 THR H H 1 8.105 0.042 . 1 . . . . . . . . 5286 1 157 . 1 1 34 34 THR C C 13 177.043 0.150 . 1 . . . . . . . . 5286 1 158 . 1 1 34 34 THR CA C 13 67.345 0.410 . 1 . . . . . . . . 5286 1 159 . 1 1 34 34 THR CB C 13 68.939 0.410 . 1 . . . . . . . . 5286 1 160 . 1 1 34 34 THR N N 15 118.388 0.313 . 1 . . . . . . . . 5286 1 161 . 1 1 35 35 VAL H H 1 7.522 0.043 . 1 . . . . . . . . 5286 1 162 . 1 1 35 35 VAL C C 13 178.487 0.150 . 1 . . . . . . . . 5286 1 163 . 1 1 35 35 VAL CA C 13 66.789 0.410 . 1 . . . . . . . . 5286 1 164 . 1 1 35 35 VAL CB C 13 31.569 0.410 . 1 . . . . . . . . 5286 1 165 . 1 1 35 35 VAL N N 15 122.174 0.277 . 1 . . . . . . . . 5286 1 166 . 1 1 36 36 MET H H 1 8.472 0.039 . 1 . . . . . . . . 5286 1 167 . 1 1 36 36 MET C C 13 178.638 0.150 . 1 . . . . . . . . 5286 1 168 . 1 1 36 36 MET CA C 13 61.358 0.410 . 1 . . . . . . . . 5286 1 169 . 1 1 36 36 MET CB C 13 32.239 0.410 . 1 . . . . . . . . 5286 1 170 . 1 1 36 36 MET N N 15 117.745 0.310 . 1 . . . . . . . . 5286 1 171 . 1 1 37 37 ARG H H 1 8.664 0.044 . 1 . . . . . . . . 5286 1 172 . 1 1 37 37 ARG C C 13 181.516 0.150 . 1 . . . . . . . . 5286 1 173 . 1 1 37 37 ARG CA C 13 59.304 0.410 . 1 . . . . . . . . 5286 1 174 . 1 1 37 37 ARG CB C 13 30.447 0.410 . 1 . . . . . . . . 5286 1 175 . 1 1 37 37 ARG N N 15 118.986 0.307 . 1 . . . . . . . . 5286 1 176 . 1 1 38 38 SER H H 1 8.100 0.042 . 1 . . . . . . . . 5286 1 177 . 1 1 38 38 SER C C 13 174.758 0.150 . 1 . . . . . . . . 5286 1 178 . 1 1 38 38 SER CA C 13 62.142 0.410 . 1 . . . . . . . . 5286 1 179 . 1 1 38 38 SER CB C 13 63.055 0.410 . 1 . . . . . . . . 5286 1 180 . 1 1 38 38 SER N N 15 119.334 0.311 . 1 . . . . . . . . 5286 1 181 . 1 1 39 39 LEU H H 1 7.371 0.043 . 1 . . . . . . . . 5286 1 182 . 1 1 39 39 LEU C C 13 177.374 0.150 . 1 . . . . . . . . 5286 1 183 . 1 1 39 39 LEU CA C 13 54.223 0.410 . 1 . . . . . . . . 5286 1 184 . 1 1 39 39 LEU CB C 13 41.875 0.410 . 1 . . . . . . . . 5286 1 185 . 1 1 39 39 LEU N N 15 119.242 0.285 . 1 . . . . . . . . 5286 1 186 . 1 1 40 40 GLY H H 1 7.825 0.041 . 1 . . . . . . . . 5286 1 187 . 1 1 40 40 GLY C C 13 174.580 0.150 . 1 . . . . . . . . 5286 1 188 . 1 1 40 40 GLY CA C 13 46.064 0.410 . 1 . . . . . . . . 5286 1 189 . 1 1 40 40 GLY N N 15 106.941 0.298 . 1 . . . . . . . . 5286 1 190 . 1 1 41 41 GLN H H 1 8.049 0.048 . 1 . . . . . . . . 5286 1 191 . 1 1 41 41 GLN C C 13 174.299 0.150 . 1 . . . . . . . . 5286 1 192 . 1 1 41 41 GLN CA C 13 54.418 0.410 . 1 . . . . . . . . 5286 1 193 . 1 1 41 41 GLN CB C 13 30.655 0.410 . 1 . . . . . . . . 5286 1 194 . 1 1 41 41 GLN N N 15 118.815 0.325 . 1 . . . . . . . . 5286 1 195 . 1 1 42 42 ASN H H 1 8.652 0.047 . 1 . . . . . . . . 5286 1 196 . 1 1 42 42 ASN C C 13 174.293 0.150 . 1 . . . . . . . . 5286 1 197 . 1 1 42 42 ASN CA C 13 51.396 0.410 . 1 . . . . . . . . 5286 1 198 . 1 1 42 42 ASN CB C 13 39.398 0.410 . 1 . . . . . . . . 5286 1 199 . 1 1 42 42 ASN N N 15 116.599 0.315 . 1 . . . . . . . . 5286 1 200 . 1 1 43 43 PRO C C 13 177.573 0.150 . 1 . . . . . . . . 5286 1 201 . 1 1 43 43 PRO CA C 13 62.480 0.410 . 1 . . . . . . . . 5286 1 202 . 1 1 43 43 PRO CB C 13 32.525 0.410 . 1 . . . . . . . . 5286 1 203 . 1 1 44 44 THR H H 1 8.812 0.050 . 1 . . . . . . . . 5286 1 204 . 1 1 44 44 THR C C 13 175.399 0.150 . 1 . . . . . . . . 5286 1 205 . 1 1 44 44 THR CA C 13 60.664 0.410 . 1 . . . . . . . . 5286 1 206 . 1 1 44 44 THR CB C 13 71.306 0.410 . 1 . . . . . . . . 5286 1 207 . 1 1 44 44 THR N N 15 112.942 0.336 . 1 . . . . . . . . 5286 1 208 . 1 1 45 45 GLU H H 1 8.847 0.040 . 1 . . . . . . . . 5286 1 209 . 1 1 45 45 GLU C C 13 179.047 0.150 . 1 . . . . . . . . 5286 1 210 . 1 1 45 45 GLU CA C 13 60.106 0.410 . 1 . . . . . . . . 5286 1 211 . 1 1 45 45 GLU CB C 13 29.194 0.410 . 1 . . . . . . . . 5286 1 212 . 1 1 45 45 GLU N N 15 120.992 0.291 . 1 . . . . . . . . 5286 1 213 . 1 1 46 46 ALA H H 1 8.302 0.041 . 1 . . . . . . . . 5286 1 214 . 1 1 46 46 ALA C C 13 180.492 0.150 . 1 . . . . . . . . 5286 1 215 . 1 1 46 46 ALA CA C 13 55.234 0.410 . 1 . . . . . . . . 5286 1 216 . 1 1 46 46 ALA CB C 13 18.444 0.410 . 1 . . . . . . . . 5286 1 217 . 1 1 46 46 ALA N N 15 121.003 0.287 . 1 . . . . . . . . 5286 1 218 . 1 1 47 47 GLU H H 1 7.709 0.044 . 1 . . . . . . . . 5286 1 219 . 1 1 47 47 GLU C C 13 179.553 0.150 . 1 . . . . . . . . 5286 1 220 . 1 1 47 47 GLU CA C 13 59.420 0.410 . 1 . . . . . . . . 5286 1 221 . 1 1 47 47 GLU CB C 13 30.108 0.410 . 1 . . . . . . . . 5286 1 222 . 1 1 47 47 GLU N N 15 118.736 0.308 . 1 . . . . . . . . 5286 1 223 . 1 1 48 48 LEU H H 1 8.218 0.040 . 1 . . . . . . . . 5286 1 224 . 1 1 48 48 LEU C C 13 178.910 0.150 . 1 . . . . . . . . 5286 1 225 . 1 1 48 48 LEU CA C 13 58.374 0.410 . 1 . . . . . . . . 5286 1 226 . 1 1 48 48 LEU CB C 13 43.111 0.410 . 1 . . . . . . . . 5286 1 227 . 1 1 48 48 LEU N N 15 119.761 0.248 . 1 . . . . . . . . 5286 1 228 . 1 1 49 49 GLN H H 1 8.171 0.037 . 1 . . . . . . . . 5286 1 229 . 1 1 49 49 GLN C C 13 178.575 0.150 . 1 . . . . . . . . 5286 1 230 . 1 1 49 49 GLN CA C 13 58.863 0.410 . 1 . . . . . . . . 5286 1 231 . 1 1 49 49 GLN CB C 13 28.616 0.410 . 1 . . . . . . . . 5286 1 232 . 1 1 49 49 GLN N N 15 118.156 0.284 . 1 . . . . . . . . 5286 1 233 . 1 1 50 50 ASP H H 1 8.086 0.040 . 1 . . . . . . . . 5286 1 234 . 1 1 50 50 ASP C C 13 179.152 0.150 . 1 . . . . . . . . 5286 1 235 . 1 1 50 50 ASP CA C 13 57.726 0.410 . 1 . . . . . . . . 5286 1 236 . 1 1 50 50 ASP CB C 13 40.628 0.410 . 1 . . . . . . . . 5286 1 237 . 1 1 50 50 ASP N N 15 120.567 0.299 . 1 . . . . . . . . 5286 1 238 . 1 1 51 51 MET H H 1 8.212 0.048 . 1 . . . . . . . . 5286 1 239 . 1 1 51 51 MET C C 13 178.265 0.150 . 1 . . . . . . . . 5286 1 240 . 1 1 51 51 MET CA C 13 60.098 0.410 . 1 . . . . . . . . 5286 1 241 . 1 1 51 51 MET CB C 13 34.267 0.410 . 1 . . . . . . . . 5286 1 242 . 1 1 51 51 MET N N 15 119.297 0.340 . 1 . . . . . . . . 5286 1 243 . 1 1 52 52 ILE H H 1 7.900 0.043 . 1 . . . . . . . . 5286 1 244 . 1 1 52 52 ILE C C 13 178.302 0.150 . 1 . . . . . . . . 5286 1 245 . 1 1 52 52 ILE CA C 13 65.073 0.410 . 1 . . . . . . . . 5286 1 246 . 1 1 52 52 ILE CB C 13 37.219 0.410 . 1 . . . . . . . . 5286 1 247 . 1 1 52 52 ILE N N 15 117.507 0.291 . 1 . . . . . . . . 5286 1 248 . 1 1 53 53 ASN H H 1 8.523 0.044 . 1 . . . . . . . . 5286 1 249 . 1 1 53 53 ASN C C 13 177.191 0.150 . 1 . . . . . . . . 5286 1 250 . 1 1 53 53 ASN CA C 13 56.235 0.410 . 1 . . . . . . . . 5286 1 251 . 1 1 53 53 ASN CB C 13 38.488 0.410 . 1 . . . . . . . . 5286 1 252 . 1 1 53 53 ASN N N 15 117.957 0.300 . 1 . . . . . . . . 5286 1 253 . 1 1 54 54 GLU H H 1 7.398 0.040 . 1 . . . . . . . . 5286 1 254 . 1 1 54 54 GLU C C 13 177.419 0.150 . 1 . . . . . . . . 5286 1 255 . 1 1 54 54 GLU CA C 13 58.275 0.410 . 1 . . . . . . . . 5286 1 256 . 1 1 54 54 GLU CB C 13 30.189 0.410 . 1 . . . . . . . . 5286 1 257 . 1 1 54 54 GLU N N 15 115.902 0.289 . 1 . . . . . . . . 5286 1 258 . 1 1 55 55 VAL H H 1 7.269 0.045 . 1 . . . . . . . . 5286 1 259 . 1 1 55 55 VAL C C 13 175.605 0.150 . 1 . . . . . . . . 5286 1 260 . 1 1 55 55 VAL CA C 13 61.450 0.410 . 1 . . . . . . . . 5286 1 261 . 1 1 55 55 VAL CB C 13 33.496 0.410 . 1 . . . . . . . . 5286 1 262 . 1 1 55 55 VAL N N 15 112.751 0.280 . 1 . . . . . . . . 5286 1 263 . 1 1 56 56 ASP H H 1 7.797 0.045 . 1 . . . . . . . . 5286 1 264 . 1 1 56 56 ASP C C 13 175.927 0.150 . 1 . . . . . . . . 5286 1 265 . 1 1 56 56 ASP CA C 13 53.867 0.410 . 1 . . . . . . . . 5286 1 266 . 1 1 56 56 ASP CB C 13 41.304 0.410 . 1 . . . . . . . . 5286 1 267 . 1 1 56 56 ASP N N 15 121.391 0.297 . 1 . . . . . . . . 5286 1 268 . 1 1 57 57 ALA H H 1 8.142 0.042 . 1 . . . . . . . . 5286 1 269 . 1 1 57 57 ALA C C 13 178.930 0.150 . 1 . . . . . . . . 5286 1 270 . 1 1 57 57 ALA CA C 13 54.438 0.410 . 1 . . . . . . . . 5286 1 271 . 1 1 57 57 ALA CB C 13 20.140 0.410 . 1 . . . . . . . . 5286 1 272 . 1 1 57 57 ALA N N 15 131.321 0.291 . 1 . . . . . . . . 5286 1 273 . 1 1 58 58 ASP H H 1 8.308 0.049 . 1 . . . . . . . . 5286 1 274 . 1 1 58 58 ASP C C 13 178.119 0.150 . 1 . . . . . . . . 5286 1 275 . 1 1 58 58 ASP CA C 13 52.980 0.410 . 1 . . . . . . . . 5286 1 276 . 1 1 58 58 ASP CB C 13 40.157 0.410 . 1 . . . . . . . . 5286 1 277 . 1 1 58 58 ASP N N 15 114.465 0.285 . 1 . . . . . . . . 5286 1 278 . 1 1 59 59 GLY H H 1 7.659 0.037 . 1 . . . . . . . . 5286 1 279 . 1 1 59 59 GLY C C 13 175.235 0.150 . 1 . . . . . . . . 5286 1 280 . 1 1 59 59 GLY CA C 13 47.429 0.410 . 1 . . . . . . . . 5286 1 281 . 1 1 59 59 GLY N N 15 108.966 0.277 . 1 . . . . . . . . 5286 1 282 . 1 1 60 60 ASN H H 1 8.240 0.050 . 1 . . . . . . . . 5286 1 283 . 1 1 60 60 ASN C C 13 177.006 0.150 . 1 . . . . . . . . 5286 1 284 . 1 1 60 60 ASN CA C 13 52.855 0.410 . 1 . . . . . . . . 5286 1 285 . 1 1 60 60 ASN CB C 13 37.683 0.410 . 1 . . . . . . . . 5286 1 286 . 1 1 60 60 ASN N N 15 119.123 0.380 . 1 . . . . . . . . 5286 1 287 . 1 1 61 61 GLY H H 1 10.556 0.045 . 1 . . . . . . . . 5286 1 288 . 1 1 61 61 GLY C C 13 173.503 0.150 . 1 . . . . . . . . 5286 1 289 . 1 1 61 61 GLY CA C 13 45.829 0.410 . 1 . . . . . . . . 5286 1 290 . 1 1 61 61 GLY N N 15 113.333 0.302 . 1 . . . . . . . . 5286 1 291 . 1 1 62 62 THR H H 1 7.691 0.043 . 1 . . . . . . . . 5286 1 292 . 1 1 62 62 THR C C 13 173.642 0.150 . 1 . . . . . . . . 5286 1 293 . 1 1 62 62 THR CA C 13 59.529 0.410 . 1 . . . . . . . . 5286 1 294 . 1 1 62 62 THR CB C 13 72.563 0.410 . 1 . . . . . . . . 5286 1 295 . 1 1 62 62 THR N N 15 108.653 0.360 . 1 . . . . . . . . 5286 1 296 . 1 1 63 63 ILE H H 1 8.748 0.045 . 1 . . . . . . . . 5286 1 297 . 1 1 63 63 ILE C C 13 175.827 0.150 . 1 . . . . . . . . 5286 1 298 . 1 1 63 63 ILE CA C 13 60.218 0.410 . 1 . . . . . . . . 5286 1 299 . 1 1 63 63 ILE CB C 13 40.278 0.410 . 1 . . . . . . . . 5286 1 300 . 1 1 63 63 ILE N N 15 123.293 0.306 . 1 . . . . . . . . 5286 1 301 . 1 1 64 64 ASP H H 1 9.179 0.047 . 1 . . . . . . . . 5286 1 302 . 1 1 64 64 ASP C C 13 176.352 0.150 . 1 . . . . . . . . 5286 1 303 . 1 1 64 64 ASP CA C 13 52.393 0.410 . 1 . . . . . . . . 5286 1 304 . 1 1 64 64 ASP CB C 13 42.439 0.410 . 1 . . . . . . . . 5286 1 305 . 1 1 64 64 ASP N N 15 129.102 0.320 . 1 . . . . . . . . 5286 1 306 . 1 1 65 65 PHE H H 1 9.075 0.043 . 1 . . . . . . . . 5286 1 307 . 1 1 65 65 PHE C C 13 174.188 0.150 . 1 . . . . . . . . 5286 1 308 . 1 1 65 65 PHE CA C 13 62.940 0.410 . 1 . . . . . . . . 5286 1 309 . 1 1 65 65 PHE CB C 13 36.106 0.410 . 1 . . . . . . . . 5286 1 310 . 1 1 65 65 PHE N N 15 118.990 0.309 . 1 . . . . . . . . 5286 1 311 . 1 1 66 66 PRO C C 13 180.200 0.150 . 1 . . . . . . . . 5286 1 312 . 1 1 66 66 PRO CA C 13 67.163 0.410 . 1 . . . . . . . . 5286 1 313 . 1 1 66 66 PRO CB C 13 30.947 0.410 . 1 . . . . . . . . 5286 1 314 . 1 1 67 67 GLU H H 1 8.437 0.048 . 1 . . . . . . . . 5286 1 315 . 1 1 67 67 GLU C C 13 179.887 0.150 . 1 . . . . . . . . 5286 1 316 . 1 1 67 67 GLU CA C 13 59.106 0.410 . 1 . . . . . . . . 5286 1 317 . 1 1 67 67 GLU CB C 13 29.772 0.410 . 1 . . . . . . . . 5286 1 318 . 1 1 67 67 GLU N N 15 118.184 0.277 . 1 . . . . . . . . 5286 1 319 . 1 1 68 68 PHE H H 1 8.870 0.046 . 1 . . . . . . . . 5286 1 320 . 1 1 68 68 PHE C C 13 177.148 0.150 . 1 . . . . . . . . 5286 1 321 . 1 1 68 68 PHE CA C 13 61.706 0.410 . 1 . . . . . . . . 5286 1 322 . 1 1 68 68 PHE CB C 13 40.964 0.410 . 1 . . . . . . . . 5286 1 323 . 1 1 68 68 PHE N N 15 124.702 0.274 . 1 . . . . . . . . 5286 1 324 . 1 1 69 69 LEU H H 1 9.010 0.042 . 1 . . . . . . . . 5286 1 325 . 1 1 69 69 LEU C C 13 179.244 0.150 . 1 . . . . . . . . 5286 1 326 . 1 1 69 69 LEU CA C 13 58.168 0.410 . 1 . . . . . . . . 5286 1 327 . 1 1 69 69 LEU CB C 13 41.524 0.410 . 1 . . . . . . . . 5286 1 328 . 1 1 69 69 LEU N N 15 120.082 0.268 . 1 . . . . . . . . 5286 1 329 . 1 1 70 70 THR H H 1 8.026 0.046 . 1 . . . . . . . . 5286 1 330 . 1 1 70 70 THR C C 13 176.481 0.150 . 1 . . . . . . . . 5286 1 331 . 1 1 70 70 THR CA C 13 67.013 0.410 . 1 . . . . . . . . 5286 1 332 . 1 1 70 70 THR CB C 13 68.703 0.410 . 1 . . . . . . . . 5286 1 333 . 1 1 70 70 THR N N 15 116.938 0.314 . 1 . . . . . . . . 5286 1 334 . 1 1 71 71 MET H H 1 7.599 0.042 . 1 . . . . . . . . 5286 1 335 . 1 1 71 71 MET C C 13 178.391 0.150 . 1 . . . . . . . . 5286 1 336 . 1 1 71 71 MET CA C 13 59.207 0.410 . 1 . . . . . . . . 5286 1 337 . 1 1 71 71 MET CB C 13 31.683 0.410 . 1 . . . . . . . . 5286 1 338 . 1 1 71 71 MET N N 15 121.930 0.293 . 1 . . . . . . . . 5286 1 339 . 1 1 72 72 MET H H 1 8.120 0.033 . 1 . . . . . . . . 5286 1 340 . 1 1 72 72 MET C C 13 178.878 0.150 . 1 . . . . . . . . 5286 1 341 . 1 1 72 72 MET CA C 13 56.316 0.410 . 1 . . . . . . . . 5286 1 342 . 1 1 72 72 MET CB C 13 30.751 0.410 . 1 . . . . . . . . 5286 1 343 . 1 1 72 72 MET N N 15 118.661 0.269 . 1 . . . . . . . . 5286 1 344 . 1 1 73 73 ALA H H 1 8.547 0.040 . 1 . . . . . . . . 5286 1 345 . 1 1 73 73 ALA C C 13 180.457 0.150 . 1 . . . . . . . . 5286 1 346 . 1 1 73 73 ALA CA C 13 55.234 0.410 . 1 . . . . . . . . 5286 1 347 . 1 1 73 73 ALA CB C 13 18.311 0.410 . 1 . . . . . . . . 5286 1 348 . 1 1 73 73 ALA N N 15 122.801 0.271 . 1 . . . . . . . . 5286 1 349 . 1 1 74 74 ARG H H 1 7.842 0.039 . 1 . . . . . . . . 5286 1 350 . 1 1 74 74 ARG C C 13 178.953 0.150 . 1 . . . . . . . . 5286 1 351 . 1 1 74 74 ARG CA C 13 59.085 0.410 . 1 . . . . . . . . 5286 1 352 . 1 1 74 74 ARG CB C 13 30.219 0.410 . 1 . . . . . . . . 5286 1 353 . 1 1 74 74 ARG N N 15 118.515 0.271 . 1 . . . . . . . . 5286 1 354 . 1 1 75 75 LYS H H 1 8.173 0.057 . 1 . . . . . . . . 5286 1 355 . 1 1 75 75 LYS C C 13 178.531 0.150 . 1 . . . . . . . . 5286 1 356 . 1 1 75 75 LYS CA C 13 59.194 0.410 . 1 . . . . . . . . 5286 1 357 . 1 1 75 75 LYS CB C 13 31.560 0.410 . 1 . . . . . . . . 5286 1 358 . 1 1 75 75 LYS N N 15 120.883 0.327 . 1 . . . . . . . . 5286 1 359 . 1 1 76 76 MET H H 1 7.762 0.040 . 1 . . . . . . . . 5286 1 360 . 1 1 76 76 MET C C 13 177.607 0.150 . 1 . . . . . . . . 5286 1 361 . 1 1 76 76 MET CA C 13 57.952 0.410 . 1 . . . . . . . . 5286 1 362 . 1 1 76 76 MET CB C 13 33.041 0.410 . 1 . . . . . . . . 5286 1 363 . 1 1 76 76 MET N N 15 116.959 0.297 . 1 . . . . . . . . 5286 1 364 . 1 1 77 77 LYS H H 1 7.435 0.044 . 1 . . . . . . . . 5286 1 365 . 1 1 77 77 LYS C C 13 177.491 0.150 . 1 . . . . . . . . 5286 1 366 . 1 1 77 77 LYS CA C 13 57.537 0.410 . 1 . . . . . . . . 5286 1 367 . 1 1 77 77 LYS CB C 13 33.025 0.410 . 1 . . . . . . . . 5286 1 368 . 1 1 77 77 LYS N N 15 117.463 0.272 . 1 . . . . . . . . 5286 1 369 . 1 1 78 78 ASP H H 1 7.814 0.051 . 1 . . . . . . . . 5286 1 370 . 1 1 78 78 ASP C C 13 176.616 0.150 . 1 . . . . . . . . 5286 1 371 . 1 1 78 78 ASP CA C 13 54.908 0.410 . 1 . . . . . . . . 5286 1 372 . 1 1 78 78 ASP CB C 13 42.198 0.410 . 1 . . . . . . . . 5286 1 373 . 1 1 78 78 ASP N N 15 118.486 0.305 . 1 . . . . . . . . 5286 1 374 . 1 1 79 79 THR H H 1 7.947 0.041 . 1 . . . . . . . . 5286 1 375 . 1 1 79 79 THR C C 13 173.931 0.150 . 1 . . . . . . . . 5286 1 376 . 1 1 79 79 THR CA C 13 62.720 0.410 . 1 . . . . . . . . 5286 1 377 . 1 1 79 79 THR CB C 13 70.511 0.410 . 1 . . . . . . . . 5286 1 378 . 1 1 79 79 THR N N 15 115.084 0.280 . 1 . . . . . . . . 5286 1 379 . 1 1 80 80 ASP H H 1 8.686 0.044 . 1 . . . . . . . . 5286 1 380 . 1 1 80 80 ASP C C 13 176.752 0.150 . 1 . . . . . . . . 5286 1 381 . 1 1 80 80 ASP CA C 13 53.767 0.410 . 1 . . . . . . . . 5286 1 382 . 1 1 80 80 ASP CB C 13 41.423 0.410 . 1 . . . . . . . . 5286 1 383 . 1 1 80 80 ASP N N 15 126.059 0.302 . 1 . . . . . . . . 5286 1 384 . 1 1 81 81 SER H H 1 8.618 0.042 . 1 . . . . . . . . 5286 1 385 . 1 1 81 81 SER C C 13 176.293 0.150 . 1 . . . . . . . . 5286 1 386 . 1 1 81 81 SER CA C 13 61.444 0.410 . 1 . . . . . . . . 5286 1 387 . 1 1 81 81 SER CB C 13 63.374 0.410 . 1 . . . . . . . . 5286 1 388 . 1 1 81 81 SER N N 15 121.058 0.306 . 1 . . . . . . . . 5286 1 389 . 1 1 82 82 GLU H H 1 8.483 0.041 . 1 . . . . . . . . 5286 1 390 . 1 1 82 82 GLU C C 13 178.958 0.150 . 1 . . . . . . . . 5286 1 391 . 1 1 82 82 GLU CA C 13 60.086 0.410 . 1 . . . . . . . . 5286 1 392 . 1 1 82 82 GLU CB C 13 29.307 0.410 . 1 . . . . . . . . 5286 1 393 . 1 1 82 82 GLU N N 15 122.042 0.277 . 1 . . . . . . . . 5286 1 394 . 1 1 83 83 GLU H H 1 7.994 0.045 . 1 . . . . . . . . 5286 1 395 . 1 1 83 83 GLU C C 13 178.812 0.150 . 1 . . . . . . . . 5286 1 396 . 1 1 83 83 GLU CA C 13 59.436 0.410 . 1 . . . . . . . . 5286 1 397 . 1 1 83 83 GLU CB C 13 29.868 0.410 . 1 . . . . . . . . 5286 1 398 . 1 1 83 83 GLU N N 15 119.557 0.305 . 1 . . . . . . . . 5286 1 399 . 1 1 84 84 GLU H H 1 7.983 0.044 . 1 . . . . . . . . 5286 1 400 . 1 1 84 84 GLU C C 13 179.507 0.150 . 1 . . . . . . . . 5286 1 401 . 1 1 84 84 GLU CA C 13 60.212 0.410 . 1 . . . . . . . . 5286 1 402 . 1 1 84 84 GLU CB C 13 30.896 0.410 . 1 . . . . . . . . 5286 1 403 . 1 1 84 84 GLU N N 15 118.538 0.313 . 1 . . . . . . . . 5286 1 404 . 1 1 85 85 ILE H H 1 8.378 0.049 . 1 . . . . . . . . 5286 1 405 . 1 1 85 85 ILE C C 13 177.972 0.150 . 1 . . . . . . . . 5286 1 406 . 1 1 85 85 ILE CA C 13 66.543 0.410 . 1 . . . . . . . . 5286 1 407 . 1 1 85 85 ILE CB C 13 38.132 0.410 . 1 . . . . . . . . 5286 1 408 . 1 1 85 85 ILE N N 15 121.145 0.299 . 1 . . . . . . . . 5286 1 409 . 1 1 86 86 ARG H H 1 8.437 0.044 . 1 . . . . . . . . 5286 1 410 . 1 1 86 86 ARG C C 13 179.617 0.150 . 1 . . . . . . . . 5286 1 411 . 1 1 86 86 ARG CA C 13 60.538 0.410 . 1 . . . . . . . . 5286 1 412 . 1 1 86 86 ARG CB C 13 30.426 0.410 . 1 . . . . . . . . 5286 1 413 . 1 1 86 86 ARG N N 15 121.994 0.294 . 1 . . . . . . . . 5286 1 414 . 1 1 87 87 GLU H H 1 8.449 0.043 . 1 . . . . . . . . 5286 1 415 . 1 1 87 87 GLU C C 13 179.517 0.150 . 1 . . . . . . . . 5286 1 416 . 1 1 87 87 GLU CA C 13 59.308 0.410 . 1 . . . . . . . . 5286 1 417 . 1 1 87 87 GLU CB C 13 28.981 0.410 . 1 . . . . . . . . 5286 1 418 . 1 1 87 87 GLU N N 15 117.838 0.237 . 1 . . . . . . . . 5286 1 419 . 1 1 88 88 ALA H H 1 8.341 0.042 . 1 . . . . . . . . 5286 1 420 . 1 1 88 88 ALA C C 13 179.182 0.150 . 1 . . . . . . . . 5286 1 421 . 1 1 88 88 ALA CA C 13 55.675 0.410 . 1 . . . . . . . . 5286 1 422 . 1 1 88 88 ALA CB C 13 19.790 0.410 . 1 . . . . . . . . 5286 1 423 . 1 1 88 88 ALA N N 15 122.416 0.305 . 1 . . . . . . . . 5286 1 424 . 1 1 89 89 PHE H H 1 8.663 0.045 . 1 . . . . . . . . 5286 1 425 . 1 1 89 89 PHE C C 13 176.850 0.150 . 1 . . . . . . . . 5286 1 426 . 1 1 89 89 PHE CA C 13 62.920 0.410 . 1 . . . . . . . . 5286 1 427 . 1 1 89 89 PHE CB C 13 39.385 0.410 . 1 . . . . . . . . 5286 1 428 . 1 1 89 89 PHE N N 15 118.635 0.265 . 1 . . . . . . . . 5286 1 429 . 1 1 90 90 ARG H H 1 7.660 0.041 . 1 . . . . . . . . 5286 1 430 . 1 1 90 90 ARG C C 13 178.067 0.150 . 1 . . . . . . . . 5286 1 431 . 1 1 90 90 ARG CA C 13 58.857 0.410 . 1 . . . . . . . . 5286 1 432 . 1 1 90 90 ARG CB C 13 30.545 0.410 . 1 . . . . . . . . 5286 1 433 . 1 1 90 90 ARG N N 15 115.337 0.292 . 1 . . . . . . . . 5286 1 434 . 1 1 91 91 VAL H H 1 7.521 0.043 . 1 . . . . . . . . 5286 1 435 . 1 1 91 91 VAL C C 13 177.183 0.150 . 1 . . . . . . . . 5286 1 436 . 1 1 91 91 VAL CA C 13 65.864 0.410 . 1 . . . . . . . . 5286 1 437 . 1 1 91 91 VAL CB C 13 31.679 0.410 . 1 . . . . . . . . 5286 1 438 . 1 1 91 91 VAL N N 15 118.411 0.275 . 1 . . . . . . . . 5286 1 439 . 1 1 92 92 PHE H H 1 7.306 0.046 . 1 . . . . . . . . 5286 1 440 . 1 1 92 92 PHE C C 13 177.042 0.150 . 1 . . . . . . . . 5286 1 441 . 1 1 92 92 PHE CA C 13 60.011 0.410 . 1 . . . . . . . . 5286 1 442 . 1 1 92 92 PHE CB C 13 40.970 0.410 . 1 . . . . . . . . 5286 1 443 . 1 1 92 92 PHE N N 15 116.019 0.276 . 1 . . . . . . . . 5286 1 444 . 1 1 93 93 ASP H H 1 8.065 0.045 . 1 . . . . . . . . 5286 1 445 . 1 1 93 93 ASP C C 13 177.558 0.150 . 1 . . . . . . . . 5286 1 446 . 1 1 93 93 ASP CA C 13 52.389 0.410 . 1 . . . . . . . . 5286 1 447 . 1 1 93 93 ASP CB C 13 38.917 0.410 . 1 . . . . . . . . 5286 1 448 . 1 1 93 93 ASP N N 15 116.742 0.314 . 1 . . . . . . . . 5286 1 449 . 1 1 94 94 LYS H H 1 7.626 0.042 . 1 . . . . . . . . 5286 1 450 . 1 1 94 94 LYS C C 13 178.464 0.150 . 1 . . . . . . . . 5286 1 451 . 1 1 94 94 LYS CA C 13 59.206 0.410 . 1 . . . . . . . . 5286 1 452 . 1 1 94 94 LYS CB C 13 32.921 0.410 . 1 . . . . . . . . 5286 1 453 . 1 1 94 94 LYS N N 15 125.828 0.282 . 1 . . . . . . . . 5286 1 454 . 1 1 95 95 ASP H H 1 8.348 0.042 . 1 . . . . . . . . 5286 1 455 . 1 1 95 95 ASP C C 13 177.978 0.150 . 1 . . . . . . . . 5286 1 456 . 1 1 95 95 ASP CA C 13 53.308 0.410 . 1 . . . . . . . . 5286 1 457 . 1 1 95 95 ASP CB C 13 39.939 0.410 . 1 . . . . . . . . 5286 1 458 . 1 1 95 95 ASP N N 15 114.395 0.279 . 1 . . . . . . . . 5286 1 459 . 1 1 96 96 GLY H H 1 7.887 0.041 . 1 . . . . . . . . 5286 1 460 . 1 1 96 96 GLY C C 13 175.355 0.150 . 1 . . . . . . . . 5286 1 461 . 1 1 96 96 GLY CA C 13 47.308 0.410 . 1 . . . . . . . . 5286 1 462 . 1 1 96 96 GLY N N 15 109.628 0.290 . 1 . . . . . . . . 5286 1 463 . 1 1 97 97 ASN H H 1 8.453 0.040 . 1 . . . . . . . . 5286 1 464 . 1 1 97 97 ASN C C 13 176.247 0.150 . 1 . . . . . . . . 5286 1 465 . 1 1 97 97 ASN CA C 13 52.961 0.410 . 1 . . . . . . . . 5286 1 466 . 1 1 97 97 ASN CB C 13 38.469 0.410 . 1 . . . . . . . . 5286 1 467 . 1 1 97 97 ASN N N 15 120.101 0.282 . 1 . . . . . . . . 5286 1 468 . 1 1 98 98 GLY H H 1 10.712 0.044 . 1 . . . . . . . . 5286 1 469 . 1 1 98 98 GLY C C 13 172.978 0.150 . 1 . . . . . . . . 5286 1 470 . 1 1 98 98 GLY CA C 13 45.165 0.410 . 1 . . . . . . . . 5286 1 471 . 1 1 98 98 GLY N N 15 113.002 0.289 . 1 . . . . . . . . 5286 1 472 . 1 1 99 99 TYR H H 1 7.749 0.041 . 1 . . . . . . . . 5286 1 473 . 1 1 99 99 TYR C C 13 175.085 0.150 . 1 . . . . . . . . 5286 1 474 . 1 1 99 99 TYR CA C 13 56.373 0.410 . 1 . . . . . . . . 5286 1 475 . 1 1 99 99 TYR CB C 13 43.115 0.410 . 1 . . . . . . . . 5286 1 476 . 1 1 99 99 TYR N N 15 116.468 0.307 . 1 . . . . . . . . 5286 1 477 . 1 1 100 100 ILE H H 1 10.262 0.046 . 1 . . . . . . . . 5286 1 478 . 1 1 100 100 ILE C C 13 175.752 0.150 . 1 . . . . . . . . 5286 1 479 . 1 1 100 100 ILE CA C 13 61.473 0.410 . 1 . . . . . . . . 5286 1 480 . 1 1 100 100 ILE CB C 13 39.609 0.410 . 1 . . . . . . . . 5286 1 481 . 1 1 100 100 ILE N N 15 127.595 0.284 . 1 . . . . . . . . 5286 1 482 . 1 1 101 101 SER H H 1 9.079 0.047 . 1 . . . . . . . . 5286 1 483 . 1 1 101 101 SER C C 13 176.116 0.150 . 1 . . . . . . . . 5286 1 484 . 1 1 101 101 SER CA C 13 55.920 0.410 . 1 . . . . . . . . 5286 1 485 . 1 1 101 101 SER CB C 13 67.012 0.410 . 1 . . . . . . . . 5286 1 486 . 1 1 101 101 SER N N 15 124.275 0.321 . 1 . . . . . . . . 5286 1 487 . 1 1 102 102 ALA H H 1 9.412 0.041 . 1 . . . . . . . . 5286 1 488 . 1 1 102 102 ALA C C 13 179.509 0.150 . 1 . . . . . . . . 5286 1 489 . 1 1 102 102 ALA CA C 13 56.159 0.410 . 1 . . . . . . . . 5286 1 490 . 1 1 102 102 ALA CB C 13 18.211 0.410 . 1 . . . . . . . . 5286 1 491 . 1 1 102 102 ALA N N 15 123.390 0.294 . 1 . . . . . . . . 5286 1 492 . 1 1 103 103 ALA H H 1 8.309 0.048 . 1 . . . . . . . . 5286 1 493 . 1 1 103 103 ALA C C 13 181.652 0.150 . 1 . . . . . . . . 5286 1 494 . 1 1 103 103 ALA CA C 13 55.448 0.410 . 1 . . . . . . . . 5286 1 495 . 1 1 103 103 ALA CB C 13 18.660 0.410 . 1 . . . . . . . . 5286 1 496 . 1 1 103 103 ALA N N 15 118.776 0.303 . 1 . . . . . . . . 5286 1 497 . 1 1 104 104 GLU H H 1 7.990 0.048 . 1 . . . . . . . . 5286 1 498 . 1 1 104 104 GLU C C 13 179.560 0.150 . 1 . . . . . . . . 5286 1 499 . 1 1 104 104 GLU CA C 13 59.620 0.410 . 1 . . . . . . . . 5286 1 500 . 1 1 104 104 GLU CB C 13 29.196 0.410 . 1 . . . . . . . . 5286 1 501 . 1 1 104 104 GLU N N 15 120.717 0.191 . 1 . . . . . . . . 5286 1 502 . 1 1 105 105 LEU H H 1 8.566 0.044 . 1 . . . . . . . . 5286 1 503 . 1 1 105 105 LEU C C 13 178.447 0.150 . 1 . . . . . . . . 5286 1 504 . 1 1 105 105 LEU CA C 13 58.189 0.410 . 1 . . . . . . . . 5286 1 505 . 1 1 105 105 LEU CB C 13 42.429 0.410 . 1 . . . . . . . . 5286 1 506 . 1 1 105 105 LEU N N 15 121.551 0.304 . 1 . . . . . . . . 5286 1 507 . 1 1 106 106 ARG H H 1 8.819 0.044 . 1 . . . . . . . . 5286 1 508 . 1 1 106 106 ARG C C 13 178.999 0.150 . 1 . . . . . . . . 5286 1 509 . 1 1 106 106 ARG CA C 13 60.304 0.410 . 1 . . . . . . . . 5286 1 510 . 1 1 106 106 ARG CB C 13 30.563 0.410 . 1 . . . . . . . . 5286 1 511 . 1 1 106 106 ARG N N 15 118.522 0.294 . 1 . . . . . . . . 5286 1 512 . 1 1 107 107 HIS H H 1 8.061 0.048 . 1 . . . . . . . . 5286 1 513 . 1 1 107 107 HIS C C 13 177.378 0.150 . 1 . . . . . . . . 5286 1 514 . 1 1 107 107 HIS CA C 13 60.263 0.410 . 1 . . . . . . . . 5286 1 515 . 1 1 107 107 HIS CB C 13 30.554 0.410 . 1 . . . . . . . . 5286 1 516 . 1 1 107 107 HIS N N 15 119.959 0.321 . 1 . . . . . . . . 5286 1 517 . 1 1 108 108 VAL H H 1 7.979 0.050 . 1 . . . . . . . . 5286 1 518 . 1 1 108 108 VAL C C 13 177.970 0.150 . 1 . . . . . . . . 5286 1 519 . 1 1 108 108 VAL CA C 13 66.798 0.410 . 1 . . . . . . . . 5286 1 520 . 1 1 108 108 VAL CB C 13 32.227 0.410 . 1 . . . . . . . . 5286 1 521 . 1 1 108 108 VAL N N 15 119.128 0.330 . 1 . . . . . . . . 5286 1 522 . 1 1 109 109 MET H H 1 8.268 0.045 . 1 . . . . . . . . 5286 1 523 . 1 1 109 109 MET C C 13 179.227 0.150 . 1 . . . . . . . . 5286 1 524 . 1 1 109 109 MET CA C 13 57.175 0.410 . 1 . . . . . . . . 5286 1 525 . 1 1 109 109 MET CB C 13 29.755 0.410 . 1 . . . . . . . . 5286 1 526 . 1 1 109 109 MET N N 15 115.620 0.272 . 1 . . . . . . . . 5286 1 527 . 1 1 110 110 THR H H 1 8.449 0.041 . 1 . . . . . . . . 5286 1 528 . 1 1 110 110 THR C C 13 178.891 0.150 . 1 . . . . . . . . 5286 1 529 . 1 1 110 110 THR CA C 13 66.683 0.410 . 1 . . . . . . . . 5286 1 530 . 1 1 110 110 THR CB C 13 68.811 0.410 . 1 . . . . . . . . 5286 1 531 . 1 1 110 110 THR N N 15 116.015 0.278 . 1 . . . . . . . . 5286 1 532 . 1 1 111 111 ASN H H 1 8.115 0.041 . 1 . . . . . . . . 5286 1 533 . 1 1 111 111 ASN C C 13 177.281 0.150 . 1 . . . . . . . . 5286 1 534 . 1 1 111 111 ASN CA C 13 56.116 0.410 . 1 . . . . . . . . 5286 1 535 . 1 1 111 111 ASN CB C 13 37.575 0.410 . 1 . . . . . . . . 5286 1 536 . 1 1 111 111 ASN N N 15 123.857 0.286 . 1 . . . . . . . . 5286 1 537 . 1 1 112 112 LEU H H 1 7.862 0.039 . 1 . . . . . . . . 5286 1 538 . 1 1 112 112 LEU C C 13 176.670 0.150 . 1 . . . . . . . . 5286 1 539 . 1 1 112 112 LEU CA C 13 55.904 0.410 . 1 . . . . . . . . 5286 1 540 . 1 1 112 112 LEU CB C 13 42.664 0.410 . 1 . . . . . . . . 5286 1 541 . 1 1 112 112 LEU N N 15 118.565 0.220 . 1 . . . . . . . . 5286 1 542 . 1 1 113 113 GLY H H 1 7.790 0.042 . 1 . . . . . . . . 5286 1 543 . 1 1 113 113 GLY C C 13 174.382 0.150 . 1 . . . . . . . . 5286 1 544 . 1 1 113 113 GLY CA C 13 45.379 0.410 . 1 . . . . . . . . 5286 1 545 . 1 1 113 113 GLY N N 15 106.389 0.295 . 1 . . . . . . . . 5286 1 546 . 1 1 114 114 GLU H H 1 7.995 0.033 . 1 . . . . . . . . 5286 1 547 . 1 1 114 114 GLU C C 13 175.095 0.150 . 1 . . . . . . . . 5286 1 548 . 1 1 114 114 GLU CA C 13 54.993 0.410 . 1 . . . . . . . . 5286 1 549 . 1 1 114 114 GLU CB C 13 30.534 0.410 . 1 . . . . . . . . 5286 1 550 . 1 1 114 114 GLU N N 15 121.263 0.256 . 1 . . . . . . . . 5286 1 551 . 1 1 115 115 LYS H H 1 8.489 0.040 . 1 . . . . . . . . 5286 1 552 . 1 1 115 115 LYS C C 13 175.737 0.150 . 1 . . . . . . . . 5286 1 553 . 1 1 115 115 LYS CA C 13 55.790 0.410 . 1 . . . . . . . . 5286 1 554 . 1 1 115 115 LYS CB C 13 31.894 0.410 . 1 . . . . . . . . 5286 1 555 . 1 1 115 115 LYS N N 15 124.826 0.280 . 1 . . . . . . . . 5286 1 556 . 1 1 116 116 LEU H H 1 8.062 0.040 . 1 . . . . . . . . 5286 1 557 . 1 1 116 116 LEU C C 13 178.447 0.150 . 1 . . . . . . . . 5286 1 558 . 1 1 116 116 LEU CA C 13 54.208 0.410 . 1 . . . . . . . . 5286 1 559 . 1 1 116 116 LEU CB C 13 44.577 0.410 . 1 . . . . . . . . 5286 1 560 . 1 1 116 116 LEU N N 15 125.164 0.289 . 1 . . . . . . . . 5286 1 561 . 1 1 117 117 THR H H 1 9.267 0.046 . 1 . . . . . . . . 5286 1 562 . 1 1 117 117 THR C C 13 175.778 0.150 . 1 . . . . . . . . 5286 1 563 . 1 1 117 117 THR CA C 13 60.897 0.410 . 1 . . . . . . . . 5286 1 564 . 1 1 117 117 THR CB C 13 71.315 0.410 . 1 . . . . . . . . 5286 1 565 . 1 1 117 117 THR N N 15 114.928 0.314 . 1 . . . . . . . . 5286 1 566 . 1 1 118 118 ASP H H 1 8.960 0.041 . 1 . . . . . . . . 5286 1 567 . 1 1 118 118 ASP C C 13 178.905 0.150 . 1 . . . . . . . . 5286 1 568 . 1 1 118 118 ASP CA C 13 58.185 0.410 . 1 . . . . . . . . 5286 1 569 . 1 1 118 118 ASP CB C 13 39.830 0.410 . 1 . . . . . . . . 5286 1 570 . 1 1 118 118 ASP N N 15 121.388 0.286 . 1 . . . . . . . . 5286 1 571 . 1 1 119 119 GLU H H 1 8.686 0.044 . 1 . . . . . . . . 5286 1 572 . 1 1 119 119 GLU C C 13 179.318 0.150 . 1 . . . . . . . . 5286 1 573 . 1 1 119 119 GLU CA C 13 60.101 0.410 . 1 . . . . . . . . 5286 1 574 . 1 1 119 119 GLU CB C 13 29.299 0.410 . 1 . . . . . . . . 5286 1 575 . 1 1 119 119 GLU N N 15 119.630 0.279 . 1 . . . . . . . . 5286 1 576 . 1 1 120 120 GLU H H 1 7.791 0.047 . 1 . . . . . . . . 5286 1 577 . 1 1 120 120 GLU C C 13 180.222 0.150 . 1 . . . . . . . . 5286 1 578 . 1 1 120 120 GLU CA C 13 59.522 0.410 . 1 . . . . . . . . 5286 1 579 . 1 1 120 120 GLU CB C 13 31.107 0.410 . 1 . . . . . . . . 5286 1 580 . 1 1 120 120 GLU N N 15 120.853 0.319 . 1 . . . . . . . . 5286 1 581 . 1 1 121 121 VAL H H 1 8.088 0.042 . 1 . . . . . . . . 5286 1 582 . 1 1 121 121 VAL C C 13 177.665 0.150 . 1 . . . . . . . . 5286 1 583 . 1 1 121 121 VAL CA C 13 67.142 0.410 . 1 . . . . . . . . 5286 1 584 . 1 1 121 121 VAL CB C 13 31.676 0.410 . 1 . . . . . . . . 5286 1 585 . 1 1 121 121 VAL N N 15 121.562 0.267 . 1 . . . . . . . . 5286 1 586 . 1 1 122 122 ASP H H 1 8.099 0.062 . 1 . . . . . . . . 5286 1 587 . 1 1 122 122 ASP C C 13 179.223 0.150 . 1 . . . . . . . . 5286 1 588 . 1 1 122 122 ASP CA C 13 57.844 0.410 . 1 . . . . . . . . 5286 1 589 . 1 1 122 122 ASP CB C 13 40.827 0.410 . 1 . . . . . . . . 5286 1 590 . 1 1 122 122 ASP N N 15 120.068 0.316 . 1 . . . . . . . . 5286 1 591 . 1 1 123 123 GLU H H 1 8.257 0.039 . 1 . . . . . . . . 5286 1 592 . 1 1 123 123 GLU C C 13 179.196 0.150 . 1 . . . . . . . . 5286 1 593 . 1 1 123 123 GLU CA C 13 59.635 0.410 . 1 . . . . . . . . 5286 1 594 . 1 1 123 123 GLU CB C 13 29.872 0.410 . 1 . . . . . . . . 5286 1 595 . 1 1 123 123 GLU N N 15 119.824 0.290 . 1 . . . . . . . . 5286 1 596 . 1 1 124 124 MET H H 1 7.897 0.042 . 1 . . . . . . . . 5286 1 597 . 1 1 124 124 MET C C 13 180.167 0.150 . 1 . . . . . . . . 5286 1 598 . 1 1 124 124 MET CA C 13 61.232 0.410 . 1 . . . . . . . . 5286 1 599 . 1 1 124 124 MET CB C 13 33.501 0.410 . 1 . . . . . . . . 5286 1 600 . 1 1 124 124 MET N N 15 118.975 0.314 . 1 . . . . . . . . 5286 1 601 . 1 1 125 125 ILE H H 1 8.209 0.054 . 1 . . . . . . . . 5286 1 602 . 1 1 125 125 ILE C C 13 177.838 0.150 . 1 . . . . . . . . 5286 1 603 . 1 1 125 125 ILE CA C 13 63.711 0.410 . 1 . . . . . . . . 5286 1 604 . 1 1 125 125 ILE CB C 13 36.092 0.410 . 1 . . . . . . . . 5286 1 605 . 1 1 125 125 ILE N N 15 120.715 0.287 . 1 . . . . . . . . 5286 1 606 . 1 1 126 126 ARG H H 1 8.726 0.043 . 1 . . . . . . . . 5286 1 607 . 1 1 126 126 ARG C C 13 178.823 0.150 . 1 . . . . . . . . 5286 1 608 . 1 1 126 126 ARG CA C 13 59.967 0.410 . 1 . . . . . . . . 5286 1 609 . 1 1 126 126 ARG CB C 13 30.665 0.410 . 1 . . . . . . . . 5286 1 610 . 1 1 126 126 ARG N N 15 118.794 0.282 . 1 . . . . . . . . 5286 1 611 . 1 1 127 127 GLU H H 1 7.963 0.043 . 1 . . . . . . . . 5286 1 612 . 1 1 127 127 GLU C C 13 176.772 0.150 . 1 . . . . . . . . 5286 1 613 . 1 1 127 127 GLU CA C 13 58.720 0.410 . 1 . . . . . . . . 5286 1 614 . 1 1 127 127 GLU CB C 13 30.213 0.410 . 1 . . . . . . . . 5286 1 615 . 1 1 127 127 GLU N N 15 116.745 0.289 . 1 . . . . . . . . 5286 1 616 . 1 1 128 128 ALA H H 1 7.131 0.044 . 1 . . . . . . . . 5286 1 617 . 1 1 128 128 ALA C C 13 177.880 0.150 . 1 . . . . . . . . 5286 1 618 . 1 1 128 128 ALA CA C 13 51.617 0.410 . 1 . . . . . . . . 5286 1 619 . 1 1 128 128 ALA CB C 13 22.165 0.410 . 1 . . . . . . . . 5286 1 620 . 1 1 128 128 ALA N N 15 116.849 0.273 . 1 . . . . . . . . 5286 1 621 . 1 1 129 129 ASP H H 1 8.117 0.050 . 1 . . . . . . . . 5286 1 622 . 1 1 129 129 ASP C C 13 175.937 0.150 . 1 . . . . . . . . 5286 1 623 . 1 1 129 129 ASP CA C 13 54.764 0.410 . 1 . . . . . . . . 5286 1 624 . 1 1 129 129 ASP CB C 13 41.073 0.410 . 1 . . . . . . . . 5286 1 625 . 1 1 129 129 ASP N N 15 118.199 0.315 . 1 . . . . . . . . 5286 1 626 . 1 1 130 130 ILE H H 1 8.333 0.043 . 1 . . . . . . . . 5286 1 627 . 1 1 130 130 ILE C C 13 178.032 0.150 . 1 . . . . . . . . 5286 1 628 . 1 1 130 130 ILE CA C 13 63.610 0.410 . 1 . . . . . . . . 5286 1 629 . 1 1 130 130 ILE CB C 13 39.038 0.410 . 1 . . . . . . . . 5286 1 630 . 1 1 130 130 ILE N N 15 128.173 0.274 . 1 . . . . . . . . 5286 1 631 . 1 1 131 131 ASP H H 1 8.414 0.042 . 1 . . . . . . . . 5286 1 632 . 1 1 131 131 ASP C C 13 178.453 0.150 . 1 . . . . . . . . 5286 1 633 . 1 1 131 131 ASP CA C 13 54.217 0.410 . 1 . . . . . . . . 5286 1 634 . 1 1 131 131 ASP CB C 13 40.164 0.410 . 1 . . . . . . . . 5286 1 635 . 1 1 131 131 ASP N N 15 117.046 0.293 . 1 . . . . . . . . 5286 1 636 . 1 1 132 132 GLY H H 1 7.694 0.034 . 1 . . . . . . . . 5286 1 637 . 1 1 132 132 GLY C C 13 175.541 0.150 . 1 . . . . . . . . 5286 1 638 . 1 1 132 132 GLY CA C 13 47.645 0.410 . 1 . . . . . . . . 5286 1 639 . 1 1 132 132 GLY N N 15 108.849 0.280 . 1 . . . . . . . . 5286 1 640 . 1 1 133 133 ASP H H 1 8.427 0.042 . 1 . . . . . . . . 5286 1 641 . 1 1 133 133 ASP C C 13 177.791 0.150 . 1 . . . . . . . . 5286 1 642 . 1 1 133 133 ASP CA C 13 53.876 0.410 . 1 . . . . . . . . 5286 1 643 . 1 1 133 133 ASP CB C 13 40.389 0.410 . 1 . . . . . . . . 5286 1 644 . 1 1 133 133 ASP N N 15 121.118 0.297 . 1 . . . . . . . . 5286 1 645 . 1 1 134 134 GLY H H 1 10.282 0.044 . 1 . . . . . . . . 5286 1 646 . 1 1 134 134 GLY C C 13 172.996 0.150 . 1 . . . . . . . . 5286 1 647 . 1 1 134 134 GLY CA C 13 46.147 0.410 . 1 . . . . . . . . 5286 1 648 . 1 1 134 134 GLY N N 15 112.807 0.302 . 1 . . . . . . . . 5286 1 649 . 1 1 135 135 GLN H H 1 8.063 0.041 . 1 . . . . . . . . 5286 1 650 . 1 1 135 135 GLN C C 13 175.264 0.150 . 1 . . . . . . . . 5286 1 651 . 1 1 135 135 GLN CA C 13 53.511 0.410 . 1 . . . . . . . . 5286 1 652 . 1 1 135 135 GLN CB C 13 32.702 0.410 . 1 . . . . . . . . 5286 1 653 . 1 1 135 135 GLN N N 15 115.443 0.327 . 1 . . . . . . . . 5286 1 654 . 1 1 136 136 VAL H H 1 9.184 0.046 . 1 . . . . . . . . 5286 1 655 . 1 1 136 136 VAL C C 13 176.104 0.150 . 1 . . . . . . . . 5286 1 656 . 1 1 136 136 VAL CA C 13 62.001 0.410 . 1 . . . . . . . . 5286 1 657 . 1 1 136 136 VAL CB C 13 34.170 0.410 . 1 . . . . . . . . 5286 1 658 . 1 1 136 136 VAL N N 15 125.725 0.289 . 1 . . . . . . . . 5286 1 659 . 1 1 137 137 ASN H H 1 9.660 0.045 . 1 . . . . . . . . 5286 1 660 . 1 1 137 137 ASN C C 13 174.958 0.150 . 1 . . . . . . . . 5286 1 661 . 1 1 137 137 ASN CA C 13 51.261 0.410 . 1 . . . . . . . . 5286 1 662 . 1 1 137 137 ASN CB C 13 38.794 0.410 . 1 . . . . . . . . 5286 1 663 . 1 1 137 137 ASN N N 15 129.518 0.312 . 1 . . . . . . . . 5286 1 664 . 1 1 138 138 TYR H H 1 8.337 0.038 . 1 . . . . . . . . 5286 1 665 . 1 1 138 138 TYR C C 13 176.348 0.150 . 1 . . . . . . . . 5286 1 666 . 1 1 138 138 TYR CA C 13 62.578 0.410 . 1 . . . . . . . . 5286 1 667 . 1 1 138 138 TYR CB C 13 38.695 0.410 . 1 . . . . . . . . 5286 1 668 . 1 1 138 138 TYR N N 15 118.905 0.225 . 1 . . . . . . . . 5286 1 669 . 1 1 139 139 GLU H H 1 8.130 0.041 . 1 . . . . . . . . 5286 1 670 . 1 1 139 139 GLU C C 13 180.395 0.150 . 1 . . . . . . . . 5286 1 671 . 1 1 139 139 GLU CA C 13 60.423 0.410 . 1 . . . . . . . . 5286 1 672 . 1 1 139 139 GLU CB C 13 29.066 0.410 . 1 . . . . . . . . 5286 1 673 . 1 1 139 139 GLU N N 15 118.774 0.320 . 1 . . . . . . . . 5286 1 674 . 1 1 140 140 GLU H H 1 8.782 0.043 . 1 . . . . . . . . 5286 1 675 . 1 1 140 140 GLU C C 13 179.562 0.150 . 1 . . . . . . . . 5286 1 676 . 1 1 140 140 GLU CA C 13 58.855 0.410 . 1 . . . . . . . . 5286 1 677 . 1 1 140 140 GLU CB C 13 29.631 0.410 . 1 . . . . . . . . 5286 1 678 . 1 1 140 140 GLU N N 15 120.182 0.291 . 1 . . . . . . . . 5286 1 679 . 1 1 141 141 PHE H H 1 8.548 0.043 . 1 . . . . . . . . 5286 1 680 . 1 1 141 141 PHE C C 13 176.757 0.150 . 1 . . . . . . . . 5286 1 681 . 1 1 141 141 PHE CA C 13 62.244 0.410 . 1 . . . . . . . . 5286 1 682 . 1 1 141 141 PHE CB C 13 40.398 0.410 . 1 . . . . . . . . 5286 1 683 . 1 1 141 141 PHE N N 15 124.244 0.276 . 1 . . . . . . . . 5286 1 684 . 1 1 142 142 VAL H H 1 8.736 0.033 . 1 . . . . . . . . 5286 1 685 . 1 1 142 142 VAL C C 13 179.638 0.150 . 1 . . . . . . . . 5286 1 686 . 1 1 142 142 VAL CA C 13 67.134 0.410 . 1 . . . . . . . . 5286 1 687 . 1 1 142 142 VAL CB C 13 31.697 0.410 . 1 . . . . . . . . 5286 1 688 . 1 1 142 142 VAL N N 15 119.377 0.234 . 1 . . . . . . . . 5286 1 689 . 1 1 143 143 GLN H H 1 7.875 0.036 . 1 . . . . . . . . 5286 1 690 . 1 1 143 143 GLN C C 13 178.022 0.150 . 1 . . . . . . . . 5286 1 691 . 1 1 143 143 GLN CA C 13 59.197 0.410 . 1 . . . . . . . . 5286 1 692 . 1 1 143 143 GLN CB C 13 28.280 0.410 . 1 . . . . . . . . 5286 1 693 . 1 1 143 143 GLN N N 15 119.539 0.287 . 1 . . . . . . . . 5286 1 694 . 1 1 144 144 MET H H 1 7.450 0.044 . 1 . . . . . . . . 5286 1 695 . 1 1 144 144 MET C C 13 177.548 0.150 . 1 . . . . . . . . 5286 1 696 . 1 1 144 144 MET CA C 13 57.501 0.410 . 1 . . . . . . . . 5286 1 697 . 1 1 144 144 MET CB C 13 31.338 0.410 . 1 . . . . . . . . 5286 1 698 . 1 1 144 144 MET N N 15 117.471 0.275 . 1 . . . . . . . . 5286 1 699 . 1 1 145 145 MET H H 1 7.560 0.042 . 1 . . . . . . . . 5286 1 700 . 1 1 145 145 MET C C 13 177.589 0.150 . 1 . . . . . . . . 5286 1 701 . 1 1 145 145 MET CA C 13 55.247 0.410 . 1 . . . . . . . . 5286 1 702 . 1 1 145 145 MET CB C 13 31.362 0.410 . 1 . . . . . . . . 5286 1 703 . 1 1 145 145 MET N N 15 113.536 0.265 . 1 . . . . . . . . 5286 1 704 . 1 1 146 146 THR H H 1 7.553 0.044 . 1 . . . . . . . . 5286 1 705 . 1 1 146 146 THR C C 13 174.434 0.150 . 1 . . . . . . . . 5286 1 706 . 1 1 146 146 THR CA C 13 62.140 0.410 . 1 . . . . . . . . 5286 1 707 . 1 1 146 146 THR CB C 13 70.729 0.410 . 1 . . . . . . . . 5286 1 708 . 1 1 146 146 THR N N 15 109.275 0.294 . 1 . . . . . . . . 5286 1 709 . 1 1 147 147 ALA H H 1 7.635 0.038 . 1 . . . . . . . . 5286 1 710 . 1 1 147 147 ALA C C 13 177.130 0.150 . 1 . . . . . . . . 5286 1 711 . 1 1 147 147 ALA CA C 13 52.970 0.410 . 1 . . . . . . . . 5286 1 712 . 1 1 147 147 ALA CB C 13 19.450 0.410 . 1 . . . . . . . . 5286 1 713 . 1 1 147 147 ALA N N 15 127.279 0.269 . 1 . . . . . . . . 5286 1 714 . 1 1 148 148 LYS H H 1 8.031 0.036 . 1 . . . . . . . . 5286 1 715 . 1 1 148 148 LYS C C 13 181.692 0.150 . 1 . . . . . . . . 5286 1 716 . 1 1 148 148 LYS CA C 13 57.923 0.410 . 1 . . . . . . . . 5286 1 717 . 1 1 148 148 LYS CB C 13 33.819 0.410 . 1 . . . . . . . . 5286 1 718 . 1 1 148 148 LYS N N 15 127.208 0.262 . 1 . . . . . . . . 5286 1 stop_ save_