data_17981 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17981 _Entry.Title ; Dynamics of isolated C domain of calmodulin complexed with PEP-19 in the absence of Ca2+ ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2011-10-07 _Entry.Accession_date 2011-10-07 _Entry.Last_release_date 2011-10-10 _Entry.Original_release_date 2011-10-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xu Wang . . . 17981 2 Quinn Kleerekoper . K. . 17981 3 John Putkey . A. . 17981 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17981 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . 1 'University of Texas Medical School at Houston' . 17981 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17981 heteronucl_NOEs 1 17981 heteronucl_T1_relaxation 1 17981 heteronucl_T2_relaxation 1 17981 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 69 17981 '1H chemical shifts' 69 17981 'heteronuclear NOE values' 63 17981 'T1 relaxation values' 62 17981 'T2 relaxation values' 63 17981 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 . . 2011-10-10 2011-10-07 original author . 17981 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17881 'calcium calmodulin, apo form' 17981 BMRB 17982 'calcium calmodulin, complex with Ca' 17981 BMRB 17983 'calcium calmodulin, complex with Ca and PEP-19' 17981 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 17981 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20973509 _Citation.Full_citation . _Citation.Title 'Intrinsic disorder of PEP-19 confers unique dynamic properties to apo and calcium calmodulin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 49 _Citation.Journal_issue 48 _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 10287 _Citation.Page_last 10297 _Citation.Year 2010 _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 Xu Wang . . . 17981 1 2 Quinn Kleerekoper . K. . 17981 1 3 Liang-wen Xiong . . . 17981 1 4 John Putkey . A. . 17981 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 17981 1 'backbone dynamics' 17981 1 'calcium binding' 17981 1 calmodulin 17981 1 PEP-19 17981 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17981 _Assembly.ID 1 _Assembly.Name 'C-CaM/PEP-19 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 isolcated_c_domain_of_calmodulin 1 $C-CaM A . yes native no no . . . 17981 1 2 Purkinje_cell_protein_4 2 $PEP-19 B . no native no no . . . 17981 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-CaM _Entity.Sf_category entity _Entity.Sf_framecode C-CaM _Entity.Entry_ID 17981 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name isolcated_c_domain_of_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 ; DTDSEEEIREAFRVFDKDGN GYISAAELRHVMTNLGEKLT DEEVDEMIREADIDGDGQVN YEEFVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11440 . entity . . . . . 100.00 72 97.18 100.00 1.27e-40 . . . . 17981 1 2 no BMRB 16994 . cCaMF92E . . . . . 100.00 94 98.59 98.59 1.58e-40 . . . . 17981 1 3 no BMRB 17881 . isolcated_c_domain_of_calmodulin . . . . . 100.00 71 100.00 100.00 8.27e-42 . . . . 17981 1 4 no BMRB 17982 . isolcated_c_domain_of_calmodulin . . . . . 100.00 71 100.00 100.00 8.27e-42 . . . . 17981 1 5 no BMRB 17983 . isolcated_c_domain_of_calmodulin . . . . . 100.00 71 100.00 100.00 8.27e-42 . . . . 17981 1 6 no BMRB 18084 . "Calmodulin C-Lobe" . . . . . 94.37 67 100.00 100.00 6.89e-39 . . . . 17981 1 7 no BMRB 18323 . entity . . . . . 100.00 71 100.00 100.00 8.27e-42 . . . . 17981 1 8 no BMRB 19376 . "Calmodulin, C-terminal domain" . . . . . 100.00 75 98.59 98.59 7.93e-41 . . . . 17981 1 9 no BMRB 25344 . CaM_E140Q_Tr2C . . . . . 100.00 73 98.59 100.00 1.69e-41 . . . . 17981 1 10 no PDB 1CMF . "Nmr Solution Structure Of Apo Calmodulin Carboxy-Terminal Domain" . . . . . 100.00 73 100.00 100.00 7.91e-42 . . . . 17981 1 11 no PDB 1CMG . "Nmr Solution Structure Of Calcium-Loaded Calmodulin Carboxy- Terminal Domain" . . . . . 100.00 73 100.00 100.00 7.91e-42 . . . . 17981 1 12 no PDB 1F71 . "Refined Solution Structure Of Calmodulin C-Terminal Domain" . . . . . 94.37 67 100.00 100.00 6.89e-39 . . . . 17981 1 13 no PDB 1FW4 . "Crystal Structure Of E. Coli Fragment Tr2c From Calmodulin To 1.7 A Resolution" . . . . . 100.00 71 100.00 100.00 8.27e-42 . . . . 17981 1 14 no PDB 1J7P . "Solution Structure Of Calcium Calmodulin C-Terminal Domain" . . . . . 94.37 67 100.00 100.00 6.89e-39 . . . . 17981 1 15 no PDB 1YRT . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 100.00 74 100.00 100.00 7.70e-42 . . . . 17981 1 16 no PDB 1YRU . "Crystal Structure Analysis Of The Adenylyl Cyclaes Catalytic Domain Of Adenylyl Cyclase Toxin Of Bordetella Pertussis In Presen" . . . . . 100.00 74 100.00 100.00 7.70e-42 . . . . 17981 1 17 no PDB 1ZOT . "Crystal Structure Analysis Of The CyaaC-Cam With Pmeapp" . . . . . 97.18 69 100.00 100.00 2.97e-40 . . . . 17981 1 18 no PDB 2COL . "Crystal Structure Analysis Of CyaaC-Cam With Pyrophosphate" . . . . . 94.37 67 100.00 100.00 9.65e-39 . . . . 17981 1 19 no PDB 2HF5 . "The Structure And Function Of A Novel Two-Site Calcium- Binding Fragment Of Calmodulin" . . . . . 50.70 68 100.00 100.00 8.06e-16 . . . . 17981 1 20 no PDB 2K3S . "Haddock-Derived Structure Of The Ch-Domain Of The Smoothelin-Like 1 Complexed With The C-Domain Of Apocalmodulin" . . . . . 94.37 67 100.00 100.00 6.89e-39 . . . . 17981 1 21 no PDB 2KUH . "Halothane Binds To Druggable Sites In Calcium-calmodulin: Solution Structure Of Halothane-cam C-terminal Domain" . . . . . 94.37 67 100.00 100.00 6.89e-39 . . . . 17981 1 22 no PDB 2KZ2 . "Calmodulin, C-terminal Domain, F92e Mutant" . . . . . 100.00 94 98.59 98.59 1.58e-40 . . . . 17981 1 23 no PDB 2LLQ . "Solution Nmr-derived Structure Of Calmodulin C-lobe Bound With Er Alpha Peptide" . . . . . 94.37 67 100.00 100.00 6.89e-39 . . . . 17981 1 24 no PDB 2LQP . "Nmr Solution Structure Of The Ca2+-Calmodulin C-Terminal Domain In A Complex With A Peptide (Nscate) From The L-Type Voltage-Ga" . . . . . 100.00 71 100.00 100.00 8.27e-42 . . . . 17981 1 25 no PDB 2RRT . "Solution Structure Of Magnesium-Bound Form Of Calmodulin C-Domain E104dE140D MUTANT" . . . . . 100.00 72 97.18 100.00 1.27e-40 . . . . 17981 1 26 no PDB 4BYA . "Calmodulin, C-terminal Domain, M144h Mutant" . . . . . 100.00 75 98.59 98.59 7.93e-41 . . . . 17981 1 27 no PDB 4RJD . "Tfp Bound In Alternate Orientations To Calcium-saturated Calmodulin C- Domains" . . . . . 92.96 66 100.00 100.00 5.59e-38 . . . . 17981 1 28 no DBJ BAC39089 . "unnamed protein product [Mus musculus]" . . . . . 100.00 80 98.59 98.59 8.15e-41 . . . . 17981 1 29 no DBJ BAF45809 . "calmodulin, partial [Thunnus thynnus]" . . . . . 80.28 66 100.00 100.00 9.56e-31 . . . . 17981 1 30 no DBJ BAI66109 . "calmodulin [Oryzias latipes]" . . . . . 54.93 56 97.44 97.44 4.59e-17 . . . . 17981 1 31 no DBJ BAI66110 . "calmodulin [Oryzias latipes]" . . . . . 54.93 56 97.44 97.44 4.59e-17 . . . . 17981 1 32 no DBJ BAI66111 . "calmodulin [Oryzias latipes]" . . . . . 54.93 56 100.00 100.00 4.96e-18 . . . . 17981 1 33 no EMBL CAB51566 . "calmodulin [Drosophila melanogaster]" . . . . . 87.32 80 98.39 100.00 4.25e-34 . . . . 17981 1 34 no GB AAH10730 . "Calm2 protein, partial [Mus musculus]" . . . . . 100.00 97 100.00 100.00 1.65e-41 . . . . 17981 1 35 no GB AAO17827 . "calmodulin, partial [Paralichthys olivaceus]" . . . . . 91.55 65 100.00 100.00 9.60e-38 . . . . 17981 1 36 no GB AAQ14324 . "calmodulin 1, partial [Sus scrofa]" . . . . . 100.00 77 100.00 100.00 6.64e-42 . . . . 17981 1 37 no GB AAX61134 . "calmodulin [Oreochromis mossambicus]" . . . . . 60.56 43 100.00 100.00 8.09e-21 . . . . 17981 1 38 no GB AAY87961 . "calmodulin [Prochilodus rubrotaeniatus]" . . . . . 50.70 41 100.00 100.00 4.31e-16 . . . . 17981 1 39 no REF XP_001687795 . "Anopheles gambiae str. PEST AGAP012844-PA [Anopheles gambiae str. PEST]" . . . . . 87.32 98 98.39 100.00 3.32e-34 . . . . 17981 1 40 no REF XP_001869425 . "calmodulin [Culex quinquefasciatus]" . . . . . 87.32 66 98.39 100.00 3.33e-34 . . . . 17981 1 41 no REF XP_007442524 . "PREDICTED: calmodulin-like [Python bivittatus]" . . . . . 100.00 136 100.00 100.00 5.12e-41 . . . . 17981 1 42 no REF XP_009577260 . "PREDICTED: calmodulin, partial [Fulmarus glacialis]" . . . . . 87.32 100 100.00 100.00 4.88e-35 . . . . 17981 1 43 no REF XP_010190430 . "PREDICTED: calmodulin-like, partial [Mesitornis unicolor]" . . . . . 100.00 89 100.00 100.00 1.11e-41 . . . . 17981 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 78 ASP . 17981 1 2 79 THR . 17981 1 3 80 ASP . 17981 1 4 81 SER . 17981 1 5 82 GLU . 17981 1 6 83 GLU . 17981 1 7 84 GLU . 17981 1 8 85 ILE . 17981 1 9 86 ARG . 17981 1 10 87 GLU . 17981 1 11 88 ALA . 17981 1 12 89 PHE . 17981 1 13 90 ARG . 17981 1 14 91 VAL . 17981 1 15 92 PHE . 17981 1 16 93 ASP . 17981 1 17 94 LYS . 17981 1 18 95 ASP . 17981 1 19 96 GLY . 17981 1 20 97 ASN . 17981 1 21 98 GLY . 17981 1 22 99 TYR . 17981 1 23 100 ILE . 17981 1 24 101 SER . 17981 1 25 102 ALA . 17981 1 26 103 ALA . 17981 1 27 104 GLU . 17981 1 28 105 LEU . 17981 1 29 106 ARG . 17981 1 30 107 HIS . 17981 1 31 108 VAL . 17981 1 32 109 MET . 17981 1 33 110 THR . 17981 1 34 111 ASN . 17981 1 35 112 LEU . 17981 1 36 113 GLY . 17981 1 37 114 GLU . 17981 1 38 115 LYS . 17981 1 39 116 LEU . 17981 1 40 117 THR . 17981 1 41 118 ASP . 17981 1 42 119 GLU . 17981 1 43 120 GLU . 17981 1 44 121 VAL . 17981 1 45 122 ASP . 17981 1 46 123 GLU . 17981 1 47 124 MET . 17981 1 48 125 ILE . 17981 1 49 126 ARG . 17981 1 50 127 GLU . 17981 1 51 128 ALA . 17981 1 52 129 ASP . 17981 1 53 130 ILE . 17981 1 54 131 ASP . 17981 1 55 132 GLY . 17981 1 56 133 ASP . 17981 1 57 134 GLY . 17981 1 58 135 GLN . 17981 1 59 136 VAL . 17981 1 60 137 ASN . 17981 1 61 138 TYR . 17981 1 62 139 GLU . 17981 1 63 140 GLU . 17981 1 64 141 PHE . 17981 1 65 142 VAL . 17981 1 66 143 GLN . 17981 1 67 144 MET . 17981 1 68 145 MET . 17981 1 69 146 THR . 17981 1 70 147 ALA . 17981 1 71 148 LYS . 17981 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 . ASP 1 1 17981 1 . THR 2 2 17981 1 . ASP 3 3 17981 1 . SER 4 4 17981 1 . GLU 5 5 17981 1 . GLU 6 6 17981 1 . GLU 7 7 17981 1 . ILE 8 8 17981 1 . ARG 9 9 17981 1 . GLU 10 10 17981 1 . ALA 11 11 17981 1 . PHE 12 12 17981 1 . ARG 13 13 17981 1 . VAL 14 14 17981 1 . PHE 15 15 17981 1 . ASP 16 16 17981 1 . LYS 17 17 17981 1 . ASP 18 18 17981 1 . GLY 19 19 17981 1 . ASN 20 20 17981 1 . GLY 21 21 17981 1 . TYR 22 22 17981 1 . ILE 23 23 17981 1 . SER 24 24 17981 1 . ALA 25 25 17981 1 . ALA 26 26 17981 1 . GLU 27 27 17981 1 . LEU 28 28 17981 1 . ARG 29 29 17981 1 . HIS 30 30 17981 1 . VAL 31 31 17981 1 . MET 32 32 17981 1 . THR 33 33 17981 1 . ASN 34 34 17981 1 . LEU 35 35 17981 1 . GLY 36 36 17981 1 . GLU 37 37 17981 1 . LYS 38 38 17981 1 . LEU 39 39 17981 1 . THR 40 40 17981 1 . ASP 41 41 17981 1 . GLU 42 42 17981 1 . GLU 43 43 17981 1 . VAL 44 44 17981 1 . ASP 45 45 17981 1 . GLU 46 46 17981 1 . MET 47 47 17981 1 . ILE 48 48 17981 1 . ARG 49 49 17981 1 . GLU 50 50 17981 1 . ALA 51 51 17981 1 . ASP 52 52 17981 1 . ILE 53 53 17981 1 . ASP 54 54 17981 1 . GLY 55 55 17981 1 . ASP 56 56 17981 1 . GLY 57 57 17981 1 . GLN 58 58 17981 1 . VAL 59 59 17981 1 . ASN 60 60 17981 1 . TYR 61 61 17981 1 . GLU 62 62 17981 1 . GLU 63 63 17981 1 . PHE 64 64 17981 1 . VAL 65 65 17981 1 . GLN 66 66 17981 1 . MET 67 67 17981 1 . MET 68 68 17981 1 . THR 69 69 17981 1 . ALA 70 70 17981 1 . LYS 71 71 17981 1 stop_ save_ save_PEP-19 _Entity.Sf_category entity _Entity.Sf_framecode PEP-19 _Entity.Entry_ID 17981 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name PEP-19 _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 ; MAERQGAGATNGKDKTSGEN DGQKKVQEEFDIDMDAPETE RAAVAIQSQFRKFQKKKAGS QS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 17983 . PEP-19 . . . . . 100.00 62 100.00 100.00 1.79e-34 . . . . 17981 2 2 no DBJ BAF82653 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 3 no EMBL CAB90443 . "brain specific polypeptide PEP19 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 4 no EMBL CAD38515 . "neuron-specific protein PEP-19 [Rattus norvegicus]" . . . . . 66.13 94 100.00 100.00 5.73e-19 . . . . 17981 2 5 no EMBL CAG29315 . "PCP4 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 6 no EMBL CAJ70630 . "Purkinje cell protein 4 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 7 no GB AAB09033 . "PEP19 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 8 no GB AAC00024 . "PCP4 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 9 no GB AAC23994 . "PEP19(PCP4) [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 10 no GB AAH13791 . "Purkinje cell protein 4 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 11 no GB AAL16810 . "Purkinje cell protein 4 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 12 no REF NP_001257467 . "Purkinje cell protein 4 LPI isoform [Rattus norvegicus]" . . . . . 66.13 94 100.00 100.00 5.73e-19 . . . . 17981 2 13 no REF NP_006189 . "Purkinje cell protein 4 [Homo sapiens]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 14 no REF XP_002830736 . "PREDICTED: Purkinje cell protein 4 [Pongo abelii]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 15 no REF XP_002929216 . "PREDICTED: Purkinje cell protein 4-like [Ailuropoda melanoleuca]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 16 no REF XP_003280305 . "PREDICTED: Purkinje cell protein 4 [Nomascus leucogenys]" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 17 no SP P48539 . "RecName: Full=Purkinje cell protein 4; AltName: Full=Brain-specific antigen PCP-4; AltName: Full=Brain-specific polypeptide PEP" . . . . . 100.00 62 98.39 100.00 4.71e-34 . . . . 17981 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Modulates CaM activity' 17981 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 . MET . 17981 2 2 . ALA . 17981 2 3 . GLU . 17981 2 4 . ARG . 17981 2 5 . GLN . 17981 2 6 . GLY . 17981 2 7 . ALA . 17981 2 8 . GLY . 17981 2 9 . ALA . 17981 2 10 . THR . 17981 2 11 . ASN . 17981 2 12 . GLY . 17981 2 13 . LYS . 17981 2 14 . ASP . 17981 2 15 . LYS . 17981 2 16 . THR . 17981 2 17 . SER . 17981 2 18 . GLY . 17981 2 19 . GLU . 17981 2 20 . ASN . 17981 2 21 . ASP . 17981 2 22 . GLY . 17981 2 23 . GLN . 17981 2 24 . LYS . 17981 2 25 . LYS . 17981 2 26 . VAL . 17981 2 27 . GLN . 17981 2 28 . GLU . 17981 2 29 . GLU . 17981 2 30 . PHE . 17981 2 31 . ASP . 17981 2 32 . ILE . 17981 2 33 . ASP . 17981 2 34 . MET . 17981 2 35 . ASP . 17981 2 36 . ALA . 17981 2 37 . PRO . 17981 2 38 . GLU . 17981 2 39 . THR . 17981 2 40 . GLU . 17981 2 41 . ARG . 17981 2 42 . ALA . 17981 2 43 . ALA . 17981 2 44 . VAL . 17981 2 45 . ALA . 17981 2 46 . ILE . 17981 2 47 . GLN . 17981 2 48 . SER . 17981 2 49 . GLN . 17981 2 50 . PHE . 17981 2 51 . ARG . 17981 2 52 . LYS . 17981 2 53 . PHE . 17981 2 54 . GLN . 17981 2 55 . LYS . 17981 2 56 . LYS . 17981 2 57 . LYS . 17981 2 58 . ALA . 17981 2 59 . GLY . 17981 2 60 . SER . 17981 2 61 . GLN . 17981 2 62 . SER . 17981 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 . MET 1 1 17981 2 . ALA 2 2 17981 2 . GLU 3 3 17981 2 . ARG 4 4 17981 2 . GLN 5 5 17981 2 . GLY 6 6 17981 2 . ALA 7 7 17981 2 . GLY 8 8 17981 2 . ALA 9 9 17981 2 . THR 10 10 17981 2 . ASN 11 11 17981 2 . GLY 12 12 17981 2 . LYS 13 13 17981 2 . ASP 14 14 17981 2 . LYS 15 15 17981 2 . THR 16 16 17981 2 . SER 17 17 17981 2 . GLY 18 18 17981 2 . GLU 19 19 17981 2 . ASN 20 20 17981 2 . ASP 21 21 17981 2 . GLY 22 22 17981 2 . GLN 23 23 17981 2 . LYS 24 24 17981 2 . LYS 25 25 17981 2 . VAL 26 26 17981 2 . GLN 27 27 17981 2 . GLU 28 28 17981 2 . GLU 29 29 17981 2 . PHE 30 30 17981 2 . ASP 31 31 17981 2 . ILE 32 32 17981 2 . ASP 33 33 17981 2 . MET 34 34 17981 2 . ASP 35 35 17981 2 . ALA 36 36 17981 2 . PRO 37 37 17981 2 . GLU 38 38 17981 2 . THR 39 39 17981 2 . GLU 40 40 17981 2 . ARG 41 41 17981 2 . ALA 42 42 17981 2 . ALA 43 43 17981 2 . VAL 44 44 17981 2 . ALA 45 45 17981 2 . ILE 46 46 17981 2 . GLN 47 47 17981 2 . SER 48 48 17981 2 . GLN 49 49 17981 2 . PHE 50 50 17981 2 . ARG 51 51 17981 2 . LYS 52 52 17981 2 . PHE 53 53 17981 2 . GLN 54 54 17981 2 . LYS 55 55 17981 2 . LYS 56 56 17981 2 . LYS 57 57 17981 2 . ALA 58 58 17981 2 . GLY 59 59 17981 2 . SER 60 60 17981 2 . GLN 61 61 17981 2 . SER 62 62 17981 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 17981 _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 $C-CaM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17981 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 17981 _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 $C-CaM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pLysS . . . . . . 17981 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_apo_C-CaM_PEP-19 _Sample.Sf_category sample _Sample.Sf_framecode apo_C-CaM_PEP-19 _Sample.Entry_ID 17981 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 15N labeled apo isolated C-domain of CaM in complex with PEP-19 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'isolcated c domain of calmodulin' '[U-100% 15N]' . . 1 $C-CaM . . 0.5 . . mM . . . . 17981 1 2 PEP-19 'natural abundance' . . 2 $PEP-19 . . 0.8 . . mM . . . . 17981 1 3 EDTA 'natural abundance' . . . . . . 10 . . mM . . . . 17981 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17981 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17981 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17981 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17981 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17981 1 pH 6.3 . pH 17981 1 pressure 1 . atm 17981 1 temperature 298 . K 17981 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17981 _Software.ID 1 _Software.Name FELIX _Software.Version 2004 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17981 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17981 1 processing 17981 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17981 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DPX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17981 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DPX . 600 . . . 17981 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 17981 _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 T1 no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 2 T2 no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 3 NOE no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 5 '3D HNCA' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 8 '3D HNCACB' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 9 '3D HNCO' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $apo_C-CaM_PEP-19 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17981 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17981 _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 internal indirect 1.0 . . . . . . . . . 17981 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17981 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_hn_apo_CCaM_PEP-19 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode hn_apo_CCaM_PEP-19 _Assigned_chem_shift_list.Entry_ID 17981 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 4 '2D 1H-15N HSQC' . . . 17981 1 5 '3D HNCA' . . . 17981 1 6 '3D HN(CO)CA' . . . 17981 1 7 '3D CBCA(CO)NH' . . . 17981 1 8 '3D HNCACB' . . . 17981 1 9 '3D HNCO' . . . 17981 1 10 '3D 1H-15N NOESY' . . . 17981 1 11 '3D 1H-15N TOCSY' . . . 17981 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 1 1 ASP H H 1 8.63 0.01 . 1 . . . . 78 ASP H . 17981 1 2 . 1 1 1 1 ASP N N 15 122.78 0.1 . 1 . . . . 78 ASP N . 17981 1 3 . 1 1 2 2 THR H H 1 8.10 0.01 . 1 . . . . 79 THR H . 17981 1 4 . 1 1 2 2 THR N N 15 114.00 0.1 . 1 . . . . 79 THR N . 17981 1 5 . 1 1 3 3 ASP H H 1 8.40 0.01 . 1 . . . . 80 ASP H . 17981 1 6 . 1 1 3 3 ASP N N 15 123.04 0.1 . 1 . . . . 80 ASP N . 17981 1 7 . 1 1 4 4 SER H H 1 8.36 0.01 . 1 . . . . 81 SER H . 17981 1 8 . 1 1 4 4 SER N N 15 116.81 0.1 . 1 . . . . 81 SER N . 17981 1 9 . 1 1 5 5 GLU H H 1 8.49 0.01 . 1 . . . . 82 GLU H . 17981 1 10 . 1 1 5 5 GLU N N 15 122.66 0.1 . 1 . . . . 82 GLU N . 17981 1 11 . 1 1 6 6 GLU H H 1 8.16 0.01 . 1 . . . . 83 GLU H . 17981 1 12 . 1 1 6 6 GLU N N 15 118.41 0.1 . 1 . . . . 83 GLU N . 17981 1 13 . 1 1 7 7 GLU H H 1 8.06 0.01 . 1 . . . . 84 GLU H . 17981 1 14 . 1 1 7 7 GLU N N 15 119.03 0.1 . 1 . . . . 84 GLU N . 17981 1 15 . 1 1 8 8 ILE H H 1 8.04 0.01 . 1 . . . . 85 ILE H . 17981 1 16 . 1 1 8 8 ILE N N 15 118.44 0.1 . 1 . . . . 85 ILE N . 17981 1 17 . 1 1 9 9 ARG H H 1 8.46 0.01 . 1 . . . . 86 ARG H . 17981 1 18 . 1 1 9 9 ARG N N 15 122.69 0.1 . 1 . . . . 86 ARG N . 17981 1 19 . 1 1 10 10 GLU H H 1 8.32 0.01 . 1 . . . . 87 GLU H . 17981 1 20 . 1 1 10 10 GLU N N 15 116.46 0.1 . 1 . . . . 87 GLU N . 17981 1 21 . 1 1 11 11 ALA H H 1 7.53 0.01 . 1 . . . . 88 ALA H . 17981 1 22 . 1 1 11 11 ALA N N 15 122.22 0.1 . 1 . . . . 88 ALA N . 17981 1 23 . 1 1 12 12 PHE H H 1 7.72 0.01 . 1 . . . . 89 PHE H . 17981 1 24 . 1 1 12 12 PHE N N 15 114.00 0.1 . 1 . . . . 89 PHE N . 17981 1 25 . 1 1 13 13 ARG H H 1 8.00 0.01 . 1 . . . . 90 ARG H . 17981 1 26 . 1 1 13 13 ARG N N 15 117.43 0.1 . 1 . . . . 90 ARG N . 17981 1 27 . 1 1 14 14 VAL H H 1 7.11 0.01 . 1 . . . . 91 VAL H . 17981 1 28 . 1 1 14 14 VAL N N 15 119.60 0.1 . 1 . . . . 91 VAL N . 17981 1 29 . 1 1 15 15 PHE H H 1 7.15 0.01 . 1 . . . . 92 PHE H . 17981 1 30 . 1 1 15 15 PHE N N 15 115.06 0.1 . 1 . . . . 92 PHE N . 17981 1 31 . 1 1 16 16 ASP H H 1 7.70 0.01 . 1 . . . . 93 ASP H . 17981 1 32 . 1 1 16 16 ASP N N 15 120.79 0.1 . 1 . . . . 93 ASP N . 17981 1 33 . 1 1 17 17 LYS H H 1 8.41 0.01 . 1 . . . . 94 LYS H . 17981 1 34 . 1 1 17 17 LYS N N 15 124.57 0.1 . 1 . . . . 94 LYS N . 17981 1 35 . 1 1 18 18 ASP H H 1 8.60 0.01 . 1 . . . . 95 ASP H . 17981 1 36 . 1 1 18 18 ASP N N 15 116.50 0.1 . 1 . . . . 95 ASP N . 17981 1 37 . 1 1 19 19 GLY H H 1 8.09 0.01 . 1 . . . . 96 GLY H . 17981 1 38 . 1 1 19 19 GLY N N 15 110.12 0.1 . 1 . . . . 96 GLY N . 17981 1 39 . 1 1 20 20 ASN H H 1 9.03 0.01 . 1 . . . . 97 ASN H . 17981 1 40 . 1 1 20 20 ASN N N 15 119.21 0.1 . 1 . . . . 97 ASN N . 17981 1 41 . 1 1 21 21 GLY H H 1 10.01 0.01 . 1 . . . . 98 GLY H . 17981 1 42 . 1 1 21 21 GLY N N 15 110.15 0.1 . 1 . . . . 98 GLY N . 17981 1 43 . 1 1 22 22 TYR H H 1 7.75 0.01 . 1 . . . . 99 TYR H . 17981 1 44 . 1 1 22 22 TYR N N 15 117.39 0.1 . 1 . . . . 99 TYR N . 17981 1 45 . 1 1 23 23 ILE H H 1 8.72 0.01 . 1 . . . . 100 ILE H . 17981 1 46 . 1 1 23 23 ILE N N 15 114.53 0.1 . 1 . . . . 100 ILE N . 17981 1 47 . 1 1 24 24 SER H H 1 9.08 0.01 . 1 . . . . 101 SER H . 17981 1 48 . 1 1 24 24 SER N N 15 120.36 0.1 . 1 . . . . 101 SER N . 17981 1 49 . 1 1 25 25 ALA H H 1 8.99 0.01 . 1 . . . . 102 ALA H . 17981 1 50 . 1 1 25 25 ALA N N 15 129.48 0.1 . 1 . . . . 102 ALA N . 17981 1 51 . 1 1 26 26 ALA H H 1 8.64 0.01 . 1 . . . . 103 ALA H . 17981 1 52 . 1 1 26 26 ALA N N 15 120.69 0.1 . 1 . . . . 103 ALA N . 17981 1 53 . 1 1 27 27 GLU H H 1 8.00 0.01 . 1 . . . . 104 GLU H . 17981 1 54 . 1 1 27 27 GLU N N 15 121.21 0.1 . 1 . . . . 104 GLU N . 17981 1 55 . 1 1 28 28 LEU H H 1 8.29 0.01 . 1 . . . . 105 LEU H . 17981 1 56 . 1 1 28 28 LEU N N 15 119.64 0.1 . 1 . . . . 105 LEU N . 17981 1 57 . 1 1 29 29 ARG H H 1 8.40 0.01 . 1 . . . . 106 ARG H . 17981 1 58 . 1 1 29 29 ARG N N 15 117.94 0.1 . 1 . . . . 106 ARG N . 17981 1 59 . 1 1 30 30 HIS H H 1 7.81 0.01 . 1 . . . . 107 HIS H . 17981 1 60 . 1 1 30 30 HIS N N 15 119.13 0.1 . 1 . . . . 107 HIS N . 17981 1 61 . 1 1 31 31 VAL H H 1 8.36 0.01 . 1 . . . . 108 VAL H . 17981 1 62 . 1 1 31 31 VAL N N 15 116.81 0.1 . 1 . . . . 108 VAL N . 17981 1 63 . 1 1 32 32 MET H H 1 8.29 0.01 . 1 . . . . 109 MET H . 17981 1 64 . 1 1 32 32 MET N N 15 113.08 0.1 . 1 . . . . 109 MET N . 17981 1 65 . 1 1 33 33 THR H H 1 7.53 0.01 . 1 . . . . 110 THR H . 17981 1 66 . 1 1 33 33 THR N N 15 104.00 0.1 . 1 . . . . 110 THR N . 17981 1 67 . 1 1 34 34 ASN H H 1 7.16 0.01 . 1 . . . . 111 ASN H . 17981 1 68 . 1 1 34 34 ASN N N 15 116.23 0.1 . 1 . . . . 111 ASN N . 17981 1 69 . 1 1 35 35 LEU H H 1 7.57 0.01 . 1 . . . . 112 LEU H . 17981 1 70 . 1 1 35 35 LEU N N 15 119.96 0.1 . 1 . . . . 112 LEU N . 17981 1 71 . 1 1 36 36 GLY H H 1 9.11 0.01 . 1 . . . . 113 GLY H . 17981 1 72 . 1 1 36 36 GLY N N 15 107.99 0.1 . 1 . . . . 113 GLY N . 17981 1 73 . 1 1 37 37 GLU H H 1 9.13 0.01 . 1 . . . . 114 GLU H . 17981 1 74 . 1 1 37 37 GLU N N 15 128.54 0.1 . 1 . . . . 114 GLU N . 17981 1 75 . 1 1 38 38 LYS H H 1 7.03 0.01 . 1 . . . . 115 LYS H . 17981 1 76 . 1 1 38 38 LYS N N 15 115.97 0.1 . 1 . . . . 115 LYS N . 17981 1 77 . 1 1 39 39 LEU H H 1 8.20 0.01 . 1 . . . . 116 LEU H . 17981 1 78 . 1 1 39 39 LEU N N 15 121.83 0.1 . 1 . . . . 116 LEU N . 17981 1 79 . 1 1 40 40 THR H H 1 9.23 0.01 . 1 . . . . 117 THR H . 17981 1 80 . 1 1 40 40 THR N N 15 111.75 0.1 . 1 . . . . 117 THR N . 17981 1 81 . 1 1 41 41 ASP H H 1 8.82 0.01 . 1 . . . . 118 ASP H . 17981 1 82 . 1 1 41 41 ASP N N 15 120.58 0.1 . 1 . . . . 118 ASP N . 17981 1 83 . 1 1 42 42 GLU H H 1 8.45 0.01 . 1 . . . . 119 GLU H . 17981 1 84 . 1 1 42 42 GLU N N 15 117.98 0.1 . 1 . . . . 119 GLU N . 17981 1 85 . 1 1 43 43 GLU H H 1 7.85 0.01 . 1 . . . . 120 GLU H . 17981 1 86 . 1 1 43 43 GLU N N 15 120.78 0.1 . 1 . . . . 120 GLU N . 17981 1 87 . 1 1 44 44 VAL H H 1 8.45 0.01 . 1 . . . . 121 VAL H . 17981 1 88 . 1 1 44 44 VAL N N 15 118.76 0.1 . 1 . . . . 121 VAL N . 17981 1 89 . 1 1 45 45 ASP H H 1 8.33 0.01 . 1 . . . . 122 ASP H . 17981 1 90 . 1 1 45 45 ASP N N 15 121.96 0.1 . 1 . . . . 122 ASP N . 17981 1 91 . 1 1 46 46 GLU H H 1 7.57 0.01 . 1 . . . . 123 GLU H . 17981 1 92 . 1 1 46 46 GLU N N 15 119.96 0.1 . 1 . . . . 123 GLU N . 17981 1 93 . 1 1 47 47 MET H H 1 8.10 0.01 . 1 . . . . 124 MET H . 17981 1 94 . 1 1 47 47 MET N N 15 120.08 0.1 . 1 . . . . 124 MET N . 17981 1 95 . 1 1 48 48 ILE H H 1 8.27 0.01 . 1 . . . . 125 ILE H . 17981 1 96 . 1 1 48 48 ILE N N 15 114.70 0.1 . 1 . . . . 125 ILE N . 17981 1 97 . 1 1 49 49 ARG H H 1 7.90 0.01 . 1 . . . . 126 ARG H . 17981 1 98 . 1 1 49 49 ARG N N 15 120.51 0.1 . 1 . . . . 126 ARG N . 17981 1 99 . 1 1 50 50 GLU H H 1 7.92 0.01 . 1 . . . . 127 GLU H . 17981 1 100 . 1 1 50 50 GLU N N 15 116.00 0.1 . 1 . . . . 127 GLU N . 17981 1 101 . 1 1 51 51 ALA H H 1 7.81 0.01 . 1 . . . . 128 ALA H . 17981 1 102 . 1 1 51 51 ALA N N 15 120.44 0.1 . 1 . . . . 128 ALA N . 17981 1 103 . 1 1 52 52 ASP H H 1 8.45 0.01 . 1 . . . . 129 ASP H . 17981 1 104 . 1 1 52 52 ASP N N 15 119.65 0.1 . 1 . . . . 129 ASP N . 17981 1 105 . 1 1 53 53 ILE H H 1 7.89 0.01 . 1 . . . . 130 ILE H . 17981 1 106 . 1 1 53 53 ILE N N 15 122.63 0.1 . 1 . . . . 130 ILE N . 17981 1 107 . 1 1 55 55 GLY H H 1 8.35 0.01 . 1 . . . . 132 GLY H . 17981 1 108 . 1 1 55 55 GLY N N 15 108.05 0.1 . 1 . . . . 132 GLY N . 17981 1 109 . 1 1 56 56 ASP H H 1 8.39 0.01 . 1 . . . . 133 ASP H . 17981 1 110 . 1 1 56 56 ASP N N 15 119.69 0.1 . 1 . . . . 133 ASP N . 17981 1 111 . 1 1 58 58 GLN H H 1 8.43 0.01 . 1 . . . . 135 GLN H . 17981 1 112 . 1 1 58 58 GLN N N 15 120.91 0.1 . 1 . . . . 135 GLN N . 17981 1 113 . 1 1 59 59 VAL H H 1 9.19 0.01 . 1 . . . . 136 VAL H . 17981 1 114 . 1 1 59 59 VAL N N 15 120.34 0.1 . 1 . . . . 136 VAL N . 17981 1 115 . 1 1 60 60 ASN H H 1 9.03 0.01 . 1 . . . . 137 ASN H . 17981 1 116 . 1 1 60 60 ASN N N 15 126.86 0.1 . 1 . . . . 137 ASN N . 17981 1 117 . 1 1 61 61 TYR H H 1 7.32 0.01 . 1 . . . . 138 TYR H . 17981 1 118 . 1 1 61 61 TYR N N 15 122.41 0.1 . 1 . . . . 138 TYR N . 17981 1 119 . 1 1 62 62 GLU H H 1 8.24 0.01 . 1 . . . . 139 GLU H . 17981 1 120 . 1 1 62 62 GLU N N 15 126.30 0.1 . 1 . . . . 139 GLU N . 17981 1 121 . 1 1 63 63 GLU H H 1 7.47 0.01 . 1 . . . . 140 GLU H . 17981 1 122 . 1 1 63 63 GLU N N 15 117.35 0.1 . 1 . . . . 140 GLU N . 17981 1 123 . 1 1 64 64 PHE H H 1 7.27 0.01 . 1 . . . . 141 PHE H . 17981 1 124 . 1 1 64 64 PHE N N 15 119.69 0.1 . 1 . . . . 141 PHE N . 17981 1 125 . 1 1 65 65 VAL H H 1 8.45 0.01 . 1 . . . . 142 VAL H . 17981 1 126 . 1 1 65 65 VAL N N 15 119.65 0.1 . 1 . . . . 142 VAL N . 17981 1 127 . 1 1 66 66 GLN H H 1 7.92 0.01 . 1 . . . . 143 GLN H . 17981 1 128 . 1 1 66 66 GLN N N 15 118.44 0.1 . 1 . . . . 143 GLN N . 17981 1 129 . 1 1 67 67 MET H H 1 7.76 0.01 . 1 . . . . 144 MET H . 17981 1 130 . 1 1 67 67 MET N N 15 118.45 0.1 . 1 . . . . 144 MET N . 17981 1 131 . 1 1 68 68 MET H H 1 7.78 0.01 . 1 . . . . 145 MET H . 17981 1 132 . 1 1 68 68 MET N N 15 113.17 0.1 . 1 . . . . 145 MET N . 17981 1 133 . 1 1 69 69 THR H H 1 7.46 0.01 . 1 . . . . 146 THR H . 17981 1 134 . 1 1 69 69 THR N N 15 107.87 0.1 . 1 . . . . 146 THR N . 17981 1 135 . 1 1 70 70 ALA H H 1 7.41 0.01 . 1 . . . . 147 ALA H . 17981 1 136 . 1 1 70 70 ALA N N 15 126.31 0.1 . 1 . . . . 147 ALA N . 17981 1 137 . 1 1 71 71 LYS H H 1 8.11 0.01 . 1 . . . . 148 LYS H . 17981 1 138 . 1 1 71 71 LYS N N 15 126.40 0.1 . 1 . . . . 148 LYS N . 17981 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_noe_apo_C-CaM_PEP-19 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode noe_apo_C-CaM_PEP-19 _Heteronucl_NOE_list.Entry_ID 17981 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; NOE values were measured from spectra with and without proton saturation recorded in an interleaved manner. Proton saturation was acquired with the use of 120o 1H pulse applied by every 5.0 s. In the case of the NONOE spectra, a net relaxation delay of 5.0 s was employed, while a relaxation delay of 2.0 s prior to a 3.0 s proton presaturation period was employed for the NOE spectra. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 NOE . . . 17981 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 ASP N N 15 . 1 1 1 1 ASP H H 1 -0.127 -0.023 . . . 78 ASP N . 78 ASP H 17981 1 2 . 1 1 2 2 THR N N 15 . 1 1 2 2 THR H H 1 0.1449 0.0195 . . . 79 THR N . 79 THR H 17981 1 3 . 1 1 3 3 ASP N N 15 . 1 1 3 3 ASP H H 1 0.3447 0.0188 . . . 80 ASP N . 80 ASP H 17981 1 4 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.6669 0.0215 . . . 82 GLU N . 82 GLU H 17981 1 5 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.6764 0.0360 . . . 83 GLU N . 83 GLU H 17981 1 6 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.7238 0.0416 . . . 84 GLU N . 84 GLU H 17981 1 7 . 1 1 8 8 ILE N N 15 . 1 1 8 8 ILE H H 1 0.5995 0.0490 . . . 85 ILE N . 85 ILE H 17981 1 8 . 1 1 9 9 ARG N N 15 . 1 1 9 9 ARG H H 1 0.8388 0.0521 . . . 86 ARG N . 86 ARG H 17981 1 9 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.7067 0.0369 . . . 87 GLU N . 87 GLU H 17981 1 10 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 0.8420 0.0421 . . . 88 ALA N . 88 ALA H 17981 1 11 . 1 1 12 12 PHE N N 15 . 1 1 12 12 PHE H H 1 0.7049 0.0535 . . . 89 PHE N . 89 PHE H 17981 1 12 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.7232 0.0499 . . . 90 ARG N . 90 ARG H 17981 1 13 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 0.8090 0.0571 . . . 91 VAL N . 91 VAL H 17981 1 14 . 1 1 15 15 PHE N N 15 . 1 1 15 15 PHE H H 1 0.7586 0.0631 . . . 92 PHE N . 92 PHE H 17981 1 15 . 1 1 16 16 ASP N N 15 . 1 1 16 16 ASP H H 1 0.6575 0.0436 . . . 93 ASP N . 93 ASP H 17981 1 16 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.5817 0.0173 . . . 94 LYS N . 94 LYS H 17981 1 17 . 1 1 18 18 ASP N N 15 . 1 1 18 18 ASP H H 1 0.5935 0.0242 . . . 95 ASP N . 95 ASP H 17981 1 18 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.7123 0.0397 . . . 96 GLY N . 96 GLY H 17981 1 19 . 1 1 20 20 ASN N N 15 . 1 1 20 20 ASN H H 1 0.6712 0.0325 . . . 97 ASN N . 97 ASN H 17981 1 20 . 1 1 21 21 GLY N N 15 . 1 1 21 21 GLY H H 1 0.7958 0.0633 . . . 98 GLY N . 98 GLY H 17981 1 21 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.7662 0.0537 . . . 99 TYR N . 99 TYR H 17981 1 22 . 1 1 23 23 ILE N N 15 . 1 1 23 23 ILE H H 1 0.6753 0.0669 . . . 100 ILE N . 100 ILE H 17981 1 23 . 1 1 24 24 SER N N 15 . 1 1 24 24 SER H H 1 0.7507 0.0751 . . . 101 SER N . 101 SER H 17981 1 24 . 1 1 25 25 ALA N N 15 . 1 1 25 25 ALA H H 1 0.7134 0.0848 . . . 102 ALA N . 102 ALA H 17981 1 25 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.7164 0.0527 . . . 103 ALA N . 103 ALA H 17981 1 26 . 1 1 27 27 GLU N N 15 . 1 1 27 27 GLU H H 1 0.7981 0.0536 . . . 104 GLU N . 104 GLU H 17981 1 27 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.8423 0.0533 . . . 105 LEU N . 105 LEU H 17981 1 28 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.7560 0.0497 . . . 106 ARG N . 106 ARG H 17981 1 29 . 1 1 30 30 HIS N N 15 . 1 1 30 30 HIS H H 1 0.7872 0.0395 . . . 107 HIS N . 107 HIS H 17981 1 30 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 0.7690 0.0656 . . . 109 MET N . 109 MET H 17981 1 31 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.7772 0.0677 . . . 110 THR N . 110 THR H 17981 1 32 . 1 1 34 34 ASN N N 15 . 1 1 34 34 ASN H H 1 0.8145 0.0664 . . . 111 ASN N . 111 ASN H 17981 1 33 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.6780 0.0515 . . . 113 GLY N . 113 GLY H 17981 1 34 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 0.6781 0.0672 . . . 114 GLU N . 114 GLU H 17981 1 35 . 1 1 38 38 LYS N N 15 . 1 1 38 38 LYS H H 1 0.4661 0.0426 . . . 115 LYS N . 115 LYS H 17981 1 36 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.6965 0.0541 . . . 116 LEU N . 116 LEU H 17981 1 37 . 1 1 40 40 THR N N 15 . 1 1 40 40 THR H H 1 0.8171 0.0810 . . . 117 THR N . 117 THR H 17981 1 38 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.7916 0.0383 . . . 118 ASP N . 118 ASP H 17981 1 39 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.8248 0.0354 . . . 119 GLU N . 119 GLU H 17981 1 40 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 0.7747 0.0337 . . . 120 GLU N . 120 GLU H 17981 1 41 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.8487 0.0936 . . . 121 VAL N . 121 VAL H 17981 1 42 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.7969 0.0522 . . . 122 ASP N . 122 ASP H 17981 1 43 . 1 1 47 47 MET N N 15 . 1 1 47 47 MET H H 1 0.7509 0.0680 . . . 124 MET N . 124 MET H 17981 1 44 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.8258 0.1205 . . . 125 ILE N . 125 ILE H 17981 1 45 . 1 1 49 49 ARG N N 15 . 1 1 49 49 ARG H H 1 0.7971 0.0655 . . . 126 ARG N . 126 ARG H 17981 1 46 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.7538 0.1143 . . . 127 GLU N . 127 GLU H 17981 1 47 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.7368 0.0778 . . . 128 ALA N . 128 ALA H 17981 1 48 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.5993 0.0505 . . . 130 ILE N . 130 ILE H 17981 1 49 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.7598 0.0921 . . . 132 GLY N . 132 GLY H 17981 1 50 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.6573 0.0290 . . . 133 ASP N . 133 ASP H 17981 1 51 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.6198 0.0659 . . . 135 GLN N . 135 GLN H 17981 1 52 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.8038 0.1143 . . . 136 VAL N . 136 VAL H 17981 1 53 . 1 1 60 60 ASN N N 15 . 1 1 60 60 ASN H H 1 0.8300 0.0788 . . . 137 ASN N . 137 ASN H 17981 1 54 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.7509 0.0622 . . . 138 TYR N . 138 TYR H 17981 1 55 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.6911 0.0377 . . . 139 GLU N . 139 GLU H 17981 1 56 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.7796 0.0469 . . . 140 GLU N . 140 GLU H 17981 1 57 . 1 1 64 64 PHE N N 15 . 1 1 64 64 PHE H H 1 0.6327 0.0764 . . . 141 PHE N . 141 PHE H 17981 1 58 . 1 1 66 66 GLN N N 15 . 1 1 66 66 GLN H H 1 0.7503 0.0566 . . . 143 GLN N . 143 GLN H 17981 1 59 . 1 1 67 67 MET N N 15 . 1 1 67 67 MET H H 1 0.7808 0.0253 . . . 144 MET N . 144 MET H 17981 1 60 . 1 1 68 68 MET N N 15 . 1 1 68 68 MET H H 1 0.7366 0.0579 . . . 145 MET N . 145 MET H 17981 1 61 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.7262 0.0525 . . . 146 THR N . 146 THR H 17981 1 62 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.5792 0.0342 . . . 147 ALA N . 147 ALA H 17981 1 63 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.3057 0.0227 . . . 148 LYS N . 148 LYS H 17981 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_apo_C-CaM_PEP-19 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_apo_C-CaM_PEP-19 _Heteronucl_T1_list.Entry_ID 17981 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600.13 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 T1 . . . 17981 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 ASP N N 15 1.63 0.04 . . 78 ASP N 17981 1 2 . 1 1 2 2 THR N N 15 1.71 0.03 . . 79 THR N 17981 1 3 . 1 1 3 3 ASP N N 15 1.80 0.02 . . 80 ASP N 17981 1 4 . 1 1 5 5 GLU N N 15 1.62 0.01 . . 82 GLU N 17981 1 5 . 1 1 6 6 GLU N N 15 1.53 0.01 . . 83 GLU N 17981 1 6 . 1 1 7 7 GLU N N 15 1.52 0.02 . . 84 GLU N 17981 1 7 . 1 1 8 8 ILE N N 15 1.53 0.02 . . 85 ILE N 17981 1 8 . 1 1 10 10 GLU N N 15 1.50 0.02 . . 87 GLU N 17981 1 9 . 1 1 11 11 ALA N N 15 1.50 0.01 . . 88 ALA N 17981 1 10 . 1 1 12 12 PHE N N 15 1.49 0.03 . . 89 PHE N 17981 1 11 . 1 1 13 13 ARG N N 15 1.53 0.02 . . 90 ARG N 17981 1 12 . 1 1 14 14 VAL N N 15 1.61 0.02 . . 91 VAL N 17981 1 13 . 1 1 15 15 PHE N N 15 1.45 0.04 . . 92 PHE N 17981 1 14 . 1 1 16 16 ASP N N 15 1.43 0.03 . . 93 ASP N 17981 1 15 . 1 1 17 17 LYS N N 15 1.50 0.01 . . 94 LYS N 17981 1 16 . 1 1 18 18 ASP N N 15 1.61 0.01 . . 95 ASP N 17981 1 17 . 1 1 19 19 GLY N N 15 1.60 0.03 . . 96 GLY N 17981 1 18 . 1 1 20 20 ASN N N 15 1.55 0.02 . . 97 ASN N 17981 1 19 . 1 1 21 21 GLY N N 15 1.71 0.04 . . 98 GLY N 17981 1 20 . 1 1 22 22 TYR N N 15 1.57 0.03 . . 99 TYR N 17981 1 21 . 1 1 23 23 ILE N N 15 1.52 0.03 . . 100 ILE N 17981 1 22 . 1 1 24 24 SER N N 15 1.60 0.04 . . 101 SER N 17981 1 23 . 1 1 25 25 ALA N N 15 1.69 0.05 . . 102 ALA N 17981 1 24 . 1 1 26 26 ALA N N 15 1.68 0.04 . . 103 ALA N 17981 1 25 . 1 1 27 27 GLU N N 15 1.69 0.02 . . 104 GLU N 17981 1 26 . 1 1 28 28 LEU N N 15 1.63 0.02 . . 105 LEU N 17981 1 27 . 1 1 29 29 ARG N N 15 1.58 0.02 . . 106 ARG N 17981 1 28 . 1 1 30 30 HIS N N 15 1.69 0.03 . . 107 HIS N 17981 1 29 . 1 1 32 32 MET N N 15 1.61 0.05 . . 109 MET N 17981 1 30 . 1 1 33 33 THR N N 15 1.68 0.04 . . 110 THR N 17981 1 31 . 1 1 34 34 ASN N N 15 1.68 0.04 . . 111 ASN N 17981 1 32 . 1 1 36 36 GLY N N 15 1.47 0.04 . . 113 GLY N 17981 1 33 . 1 1 37 37 GLU N N 15 1.52 0.05 . . 114 GLU N 17981 1 34 . 1 1 38 38 LYS N N 15 1.63 0.04 . . 115 LYS N 17981 1 35 . 1 1 39 39 LEU N N 15 1.53 0.03 . . 116 LEU N 17981 1 36 . 1 1 40 40 THR N N 15 1.56 0.03 . . 117 THR N 17981 1 37 . 1 1 41 41 ASP N N 15 1.65 0.02 . . 118 ASP N 17981 1 38 . 1 1 42 42 GLU N N 15 1.59 0.01 . . 119 GLU N 17981 1 39 . 1 1 43 43 GLU N N 15 1.63 0.02 . . 120 GLU N 17981 1 40 . 1 1 44 44 VAL N N 15 1.64 0.04 . . 121 VAL N 17981 1 41 . 1 1 45 45 ASP N N 15 1.72 0.02 . . 122 ASP N 17981 1 42 . 1 1 47 47 MET N N 15 1.69 0.03 . . 124 MET N 17981 1 43 . 1 1 48 48 ILE N N 15 1.64 0.06 . . 125 ILE N 17981 1 44 . 1 1 49 49 ARG N N 15 1.63 0.04 . . 126 ARG N 17981 1 45 . 1 1 50 50 GLU N N 15 1.65 0.05 . . 127 GLU N 17981 1 46 . 1 1 51 51 ALA N N 15 1.51 0.04 . . 128 ALA N 17981 1 47 . 1 1 53 53 ILE N N 15 1.40 0.01 . . 130 ILE N 17981 1 48 . 1 1 55 55 GLY N N 15 1.56 0.08 . . 132 GLY N 17981 1 49 . 1 1 56 56 ASP N N 15 1.50 0.01 . . 133 ASP N 17981 1 50 . 1 1 58 58 GLN N N 15 1.62 0.04 . . 135 GLN N 17981 1 51 . 1 1 59 59 VAL N N 15 1.54 0.06 . . 136 VAL N 17981 1 52 . 1 1 60 60 ASN N N 15 1.57 0.04 . . 137 ASN N 17981 1 53 . 1 1 61 61 TYR N N 15 1.51 0.03 . . 138 TYR N 17981 1 54 . 1 1 62 62 GLU N N 15 1.61 0.02 . . 139 GLU N 17981 1 55 . 1 1 63 63 GLU N N 15 1.48 0.03 . . 140 GLU N 17981 1 56 . 1 1 64 64 PHE N N 15 1.52 0.06 . . 141 PHE N 17981 1 57 . 1 1 66 66 GLN N N 15 1.51 0.02 . . 143 GLN N 17981 1 58 . 1 1 67 67 MET N N 15 1.46 0.01 . . 144 MET N 17981 1 59 . 1 1 68 68 MET N N 15 1.52 0.02 . . 145 MET N 17981 1 60 . 1 1 69 69 THR N N 15 1.68 0.04 . . 146 THR N 17981 1 61 . 1 1 70 70 ALA N N 15 1.55 0.01 . . 147 ALA N 17981 1 62 . 1 1 71 71 LYS N N 15 1.40 0.01 . . 148 LYS N 17981 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_apo_C-CaM_PEP-19 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_apo_C-CaM_PEP-19 _Heteronucl_T2_list.Entry_ID 17981 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.13 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 T2 . . . 17981 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 1 1 ASP N N 15 5.54 0.15 . . . . 78 ASP N 17981 1 2 . 1 1 2 2 THR N N 15 5.94 0.09 . . . . 79 THR N 17981 1 3 . 1 1 3 3 ASP N N 15 6.73 0.10 . . . . 80 ASP N 17981 1 4 . 1 1 5 5 GLU N N 15 10.37 0.12 . . . . 82 GLU N 17981 1 5 . 1 1 6 6 GLU N N 15 12.00 0.21 . . . . 83 GLU N 17981 1 6 . 1 1 7 7 GLU N N 15 11.70 0.20 . . . . 84 GLU N 17981 1 7 . 1 1 8 8 ILE N N 15 12.73 0.18 . . . . 85 ILE N 17981 1 8 . 1 1 10 10 GLU N N 15 13.03 0.12 . . . . 87 GLU N 17981 1 9 . 1 1 11 11 ALA N N 15 12.00 0.20 . . . . 88 ALA N 17981 1 10 . 1 1 12 12 PHE N N 15 12.49 0.16 . . . . 89 PHE N 17981 1 11 . 1 1 13 13 ARG N N 15 13.54 0.15 . . . . 90 ARG N 17981 1 12 . 1 1 14 14 VAL N N 15 13.33 0.30 . . . . 91 VAL N 17981 1 13 . 1 1 15 15 PHE N N 15 13.75 0.20 . . . . 92 PHE N 17981 1 14 . 1 1 16 16 ASP N N 15 10.40 0.16 . . . . 93 ASP N 17981 1 15 . 1 1 17 17 LYS N N 15 8.54 0.10 . . . . 94 LYS N 17981 1 16 . 1 1 18 18 ASP N N 15 9.57 0.18 . . . . 95 ASP N 17981 1 17 . 1 1 19 19 GLY N N 15 9.56 0.17 . . . . 96 GLY N 17981 1 18 . 1 1 20 20 ASN N N 15 9.62 0.12 . . . . 97 ASN N 17981 1 19 . 1 1 21 21 GLY N N 15 11.96 0.24 . . . . 98 GLY N 17981 1 20 . 1 1 22 22 TYR N N 15 13.38 0.28 . . . . 99 TYR N 17981 1 21 . 1 1 23 23 ILE N N 15 14.86 0.50 . . . . 100 ILE N 17981 1 22 . 1 1 24 24 SER N N 15 15.26 0.43 . . . . 101 SER N 17981 1 23 . 1 1 25 25 ALA N N 15 18.15 0.60 . . . . 102 ALA N 17981 1 24 . 1 1 26 26 ALA N N 15 12.13 0.35 . . . . 103 ALA N 17981 1 25 . 1 1 27 27 GLU N N 15 10.97 0.33 . . . . 104 GLU N 17981 1 26 . 1 1 28 28 LEU N N 15 10.99 0.09 . . . . 105 LEU N 17981 1 27 . 1 1 29 29 ARG N N 15 11.50 0.43 . . . . 106 ARG N 17981 1 28 . 1 1 30 30 HIS N N 15 11.25 0.14 . . . . 107 HIS N 17981 1 29 . 1 1 32 32 MET N N 15 13.64 0.37 . . . . 109 MET N 17981 1 30 . 1 1 33 33 THR N N 15 17.36 0.59 . . . . 110 THR N 17981 1 31 . 1 1 34 34 ASN N N 15 13.04 0.16 . . . . 111 ASN N 17981 1 32 . 1 1 36 36 GLY N N 15 10.35 0.21 . . . . 113 GLY N 17981 1 33 . 1 1 37 37 GLU N N 15 15.90 0.58 . . . . 114 GLU N 17981 1 34 . 1 1 38 38 LYS N N 15 11.37 0.30 . . . . 115 LYS N 17981 1 35 . 1 1 39 39 LEU N N 15 11.46 0.39 . . . . 116 LEU N 17981 1 36 . 1 1 40 40 THR N N 15 13.42 0.69 . . . . 117 THR N 17981 1 37 . 1 1 41 41 ASP N N 15 10.54 0.12 . . . . 118 ASP N 17981 1 38 . 1 1 42 42 GLU N N 15 10.77 0.08 . . . . 119 GLU N 17981 1 39 . 1 1 43 43 GLU N N 15 11.21 0.09 . . . . 120 GLU N 17981 1 40 . 1 1 44 44 VAL N N 15 12.50 0.38 . . . . 121 VAL N 17981 1 41 . 1 1 45 45 ASP N N 15 14.52 0.24 . . . . 122 ASP N 17981 1 42 . 1 1 47 47 MET N N 15 10.89 0.28 . . . . 124 MET N 17981 1 43 . 1 1 48 48 ILE N N 15 19.14 1.11 . . . . 125 ILE N 17981 1 44 . 1 1 49 49 ARG N N 15 15.68 0.34 . . . . 126 ARG N 17981 1 45 . 1 1 50 50 GLU N N 15 21.03 0.98 . . . . 127 GLU N 17981 1 46 . 1 1 51 51 ALA N N 15 18.57 0.57 . . . . 128 ALA N 17981 1 47 . 1 1 53 53 ILE N N 15 10.71 0.22 . . . . 130 ILE N 17981 1 48 . 1 1 55 55 GLY N N 15 19.40 0.47 . . . . 132 GLY N 17981 1 49 . 1 1 56 56 ASP N N 15 11.05 0.24 . . . . 133 ASP N 17981 1 50 . 1 1 58 58 GLN N N 15 9.83 0.38 . . . . 135 GLN N 17981 1 51 . 1 1 59 59 VAL N N 15 15.82 0.80 . . . . 136 VAL N 17981 1 52 . 1 1 60 60 ASN N N 15 12.69 0.67 . . . . 137 ASN N 17981 1 53 . 1 1 61 61 TYR N N 15 12.01 0.30 . . . . 138 TYR N 17981 1 54 . 1 1 62 62 GLU N N 15 16.21 0.92 . . . . 139 GLU N 17981 1 55 . 1 1 63 63 GLU N N 15 13.05 0.28 . . . . 140 GLU N 17981 1 56 . 1 1 64 64 PHE N N 15 14.93 0.75 . . . . 141 PHE N 17981 1 57 . 1 1 65 65 VAL N N 15 7.01 0.13 . . . . 142 VAL N 17981 1 58 . 1 1 66 66 GLN N N 15 13.60 0.31 . . . . 143 GLN N 17981 1 59 . 1 1 67 67 MET N N 15 11.70 0.14 . . . . 144 MET N 17981 1 60 . 1 1 68 68 MET N N 15 14.38 0.47 . . . . 145 MET N 17981 1 61 . 1 1 69 69 THR N N 15 11.73 0.35 . . . . 146 THR N 17981 1 62 . 1 1 70 70 ALA N N 15 9.22 0.29 . . . . 147 ALA N 17981 1 63 . 1 1 71 71 LYS N N 15 5.85 0.20 . . . . 148 LYS N 17981 1 stop_ save_