data_7425 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CaM complexed to DAPk peptide ; _BMRB_accession_number 7425 _BMRB_flat_file_name bmr7425.str _Entry_type original _Submission_date 2008-07-02 _Accession_date 2008-07-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini Ivano . . 2 Luchinat Claudio . . 3 Parigi Giacomo . . 4 Yuan Jing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 112 "13C chemical shifts" 217 "15N chemical shifts" 112 "residual dipolar couplings" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-04-24 update BMRB 'complete entry citation' 2009-04-04 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15852 '4Ca and CaM and DAPk complex' 7423 '3CaYb and CaM and DAPk complex' 7424 '3CaTb and CaM and DAPk complex' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Accurate Solution Structures of Proteins from X-ray Data and a Minimal Set of NMR Data: Calmodulin-Peptide Complexes As Examples' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19317469 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini Ivano . . 2 Kursula Petri . . 3 Luchinat Claudio . . 4 Parigi Giacomo . . 5 Vahokoski Juha . . 6 Wilmanns Matthias . . 7 Yuan Jing . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 131 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5134 _Page_last 5144 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name calmodulin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calmodulin $calmodulin 'CALCIUM ION, 1' $CA 'CALCIUM ION, 2' $CA 'CALCIUM ION, 3' $CA 'Tulium(III) ION' $TM stop_ _System_molecular_weight 17000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calmodulin _Molecular_mass 16650.387 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGD GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASP 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15183 calmodulin 100.00 149 97.97 100.00 1.53e-98 BMRB 15184 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15185 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15186 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15187 calmodulin 100.00 149 97.97 100.00 1.53e-98 BMRB 15188 calmodulin 100.00 148 98.65 100.00 5.24e-99 BMRB 15191 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15470 calmodulin 100.00 148 98.65 100.00 8.29e-99 BMRB 15624 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15650 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 15852 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 16418 apoCaM 100.00 148 99.32 100.00 2.26e-99 BMRB 16465 entity_1 100.00 148 99.32 100.00 2.26e-99 BMRB 16764 CALMODULIN 100.00 150 99.32 100.00 2.42e-99 BMRB 17264 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 17360 entity_1 100.00 148 99.32 100.00 2.26e-99 BMRB 17771 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 17807 Calmodulin 99.32 147 99.32 100.00 1.08e-98 BMRB 18027 CaM 100.00 148 99.32 100.00 2.26e-99 BMRB 18028 CaM 100.00 148 99.32 100.00 2.26e-99 BMRB 18556 Calmodulin 100.00 148 97.97 99.32 1.18e-97 BMRB 19036 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 19238 Calmodulin_prototypical_calcium_sensor 100.00 148 99.32 100.00 2.26e-99 BMRB 19586 entity_1 100.00 148 99.32 100.00 2.26e-99 BMRB 19604 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 26503 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 4056 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 5227 CaM 100.00 148 99.32 100.00 2.26e-99 BMRB 6541 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 6798 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 6802 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 6825 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 6830 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 6831 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 7018 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 7028 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7029 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7030 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7031 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7416 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7417 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7418 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7423 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7424 calmodulin 100.00 148 100.00 100.00 7.10e-100 PDB 1A29 "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" 100.00 148 99.32 100.00 2.26e-99 PDB 1CFC "Calcium-Free Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1CFD "Calcium-Free Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1CFF "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" 100.00 148 99.32 100.00 2.26e-99 PDB 1CKK "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" 100.00 148 99.32 100.00 2.26e-99 PDB 1CLL "Calmodulin Structure Refined At 1.7 Angstroms Resolution" 100.00 148 99.32 100.00 2.26e-99 PDB 1CM1 "Motions Of Calmodulin-Single-Conformer Refinement" 100.00 148 99.32 100.00 2.26e-99 PDB 1CM4 "Motions Of Calmodulin-four-conformer Refinement" 100.00 148 99.32 100.00 2.26e-99 PDB 1CTR "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 1DMO "Calmodulin, Nmr, 30 Structures" 100.00 148 98.65 100.00 8.29e-99 PDB 1G4Y "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1IQ5 "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" 100.00 149 99.32 100.00 2.64e-99 PDB 1IWQ "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" 100.00 148 99.32 100.00 2.26e-99 PDB 1K90 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" 100.00 148 99.32 100.00 2.26e-99 PDB 1K93 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 97.30 144 99.31 100.00 2.40e-96 PDB 1L7Z "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 1LIN "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" 100.00 148 99.32 100.00 2.26e-99 PDB 1LVC "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" 100.00 149 99.32 100.00 2.64e-99 PDB 1MUX "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" 100.00 148 99.32 100.00 2.26e-99 PDB 1MXE "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" 100.00 148 97.30 99.32 3.26e-97 PDB 1NWD "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" 100.00 148 99.32 100.00 2.26e-99 PDB 1OOJ "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" 100.00 149 97.30 98.65 7.98e-97 PDB 1PRW "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" 100.00 149 98.65 99.32 1.88e-98 PDB 1QIV "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 1QIW "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" 100.00 148 99.32 100.00 2.26e-99 PDB 1QX5 "Crystal Structure Of Apocalmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1S26 "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" 100.00 148 99.32 100.00 2.26e-99 PDB 1SK6 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" 100.00 148 99.32 100.00 2.26e-99 PDB 1SY9 "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" 100.00 148 99.32 100.00 2.26e-99 PDB 1UP5 "Chicken Calmodulin" 100.00 148 98.65 99.32 1.82e-98 PDB 1WRZ "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" 100.00 149 99.32 100.00 2.64e-99 PDB 1X02 "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1XA5 "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" 100.00 148 99.32 100.00 2.26e-99 PDB 1XFU "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFV "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFW "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFY "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFZ "Crystal Structure Of Anthrax Edema Factor (ef) In Complex With Calmodulin In The Presence Of 1 Millimolar Exogenously Added Cal" 100.00 149 98.65 100.00 6.25e-99 PDB 1Y0V "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" 97.30 146 99.31 100.00 1.97e-96 PDB 1YR5 "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" 100.00 148 99.32 100.00 2.26e-99 PDB 2BBM "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.30 99.32 3.26e-97 PDB 2BBN "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.30 99.32 3.26e-97 PDB 2BCX "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2BKH "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" 100.00 149 97.30 99.32 3.48e-97 PDB 2BKI "Myosin Vi Nucleotide-Free (Mdinsert2-Iq) Crystal Structure" 100.00 149 99.32 100.00 2.64e-99 PDB 2DFS "3-D Structure Of Myosin-V Inhibited State" 100.00 148 99.32 100.00 2.26e-99 PDB 2F2O "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 100.00 179 99.32 100.00 3.84e-99 PDB 2F2P "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 100.00 179 99.32 100.00 3.84e-99 PDB 2F3Y "CalmodulinIQ DOMAIN COMPLEX" 100.00 148 99.32 100.00 2.26e-99 PDB 2F3Z "CalmodulinIQ-Aa Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2FOT "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" 100.00 148 99.32 100.00 2.26e-99 PDB 2HQW "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2JZI "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" 100.00 148 99.32 100.00 2.26e-99 PDB 2K0E "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" 100.00 148 99.32 100.00 2.26e-99 PDB 2K0F "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" 100.00 148 99.32 100.00 2.26e-99 PDB 2K0J "Solution Structure Of Cam Complexed To Drp1p" 100.00 148 100.00 100.00 7.10e-100 PDB 2K61 "Solution Structure Of Cam Complexed To Dapk Peptide" 100.00 148 100.00 100.00 7.10e-100 PDB 2KDU "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" 100.00 148 99.32 100.00 2.26e-99 PDB 2KNE "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" 100.00 148 99.32 100.00 2.26e-99 PDB 2L53 "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" 100.00 148 99.32 100.00 2.26e-99 PDB 2L7L "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" 100.00 148 99.32 100.00 2.26e-99 PDB 2LGF "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" 98.65 146 99.32 100.00 5.85e-98 PDB 2LL6 "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2LL7 "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2LV6 "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" 100.00 148 97.97 99.32 1.18e-97 PDB 2M0J "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2M0K "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" 100.00 148 99.32 100.00 2.26e-99 PDB 2M55 "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 2MG5 "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" 100.00 148 99.32 100.00 2.26e-99 PDB 2MGU "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" 100.00 148 99.32 100.00 2.26e-99 PDB 2O5G "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2O60 "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" 100.00 148 99.32 100.00 2.26e-99 PDB 2R28 "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" 100.00 149 99.32 100.00 2.64e-99 PDB 2V01 "Recombinant Vertebrate Calmodulin Complexed With Pb" 100.00 149 99.32 100.00 2.64e-99 PDB 2V02 "Recombinant Vertebrate Calmodulin Complexed With Ba" 100.00 149 99.32 100.00 2.64e-99 PDB 2VAS "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" 100.00 149 97.30 99.32 3.48e-97 PDB 2VAY "Calmodulin Complexed With Cav1.1 Iq Peptide" 98.65 146 99.32 100.00 5.85e-98 PDB 2W73 "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" 100.00 149 99.32 100.00 2.64e-99 PDB 2WEL "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" 100.00 150 99.32 100.00 2.79e-99 PDB 2X0G "X-ray Structure Of A Dap-kinase Calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2X51 "M6 Delta Insert1" 100.00 149 97.30 99.32 3.48e-97 PDB 2Y4V "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" 100.00 149 99.32 100.00 2.64e-99 PDB 2YGG "Complex Of Cambr And Cam" 100.00 150 99.32 100.00 3.01e-99 PDB 3BXK "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3BXL "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3BYA "Structure Of A Calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3CLN "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" 100.00 148 98.65 100.00 8.29e-99 PDB 3DVE "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3DVJ "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3DVK "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3DVM "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3EK4 "Calcium-saturated Gcamp2 Monomer" 99.32 449 99.32 100.00 4.06e-95 PDB 3EK7 "Calcium-Saturated Gcamp2 Dimer" 99.32 449 99.32 100.00 4.06e-95 PDB 3EK8 "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" 99.32 449 99.32 100.00 4.77e-95 PDB 3EKH "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" 99.32 449 98.64 99.32 4.10e-94 PDB 3EVU "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" 99.32 449 99.32 100.00 4.06e-95 PDB 3EVV "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" 99.32 449 99.32 100.00 4.06e-95 PDB 3EWT "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 99.32 100.00 1.23e-99 PDB 3EWV "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 99.32 100.00 1.23e-99 PDB 3G43 "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" 100.00 148 99.32 100.00 2.26e-99 PDB 3GN4 "Myosin Lever Arm" 100.00 149 97.30 99.32 3.48e-97 PDB 3GOF "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" 100.00 148 99.32 100.00 2.26e-99 PDB 3HR4 "Human Inos Reductase And Calmodulin Complex" 100.00 149 99.32 100.00 2.64e-99 PDB 3IF7 "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" 100.00 148 99.32 100.00 2.26e-99 PDB 3J41 "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" 100.00 149 99.32 100.00 2.64e-99 PDB 3L9I "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" 100.00 149 97.30 99.32 3.48e-97 PDB 3O77 "The Structure Of Ca2+ Sensor (Case-16)" 99.32 415 99.32 100.00 2.10e-95 PDB 3O78 "The Structure Of Ca2+ Sensor (Case-12)" 99.32 415 99.32 100.00 2.10e-95 PDB 3OXQ "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" 100.00 149 99.32 100.00 2.64e-99 PDB 3SG2 "Crystal Structure Of Gcamp2-t116v,d381y" 99.32 449 98.64 99.32 6.67e-94 PDB 3SG3 "Crystal Structure Of Gcamp3-d380y" 99.32 449 99.32 99.32 2.01e-94 PDB 3SG4 "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" 100.00 448 98.65 98.65 1.68e-94 PDB 3SG5 "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" 100.00 448 98.65 98.65 1.25e-94 PDB 3SG6 "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" 99.32 450 99.32 100.00 4.09e-95 PDB 3SG7 "Crystal Structure Of Gcamp3-kf(linker 1)" 99.32 448 100.00 100.00 1.37e-95 PDB 3SJQ "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 3SUI "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" 100.00 149 99.32 100.00 2.64e-99 PDB 3U0K "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" 99.32 440 99.32 99.32 3.86e-95 PDB 3WFN "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" 100.00 182 99.32 100.00 3.10e-99 PDB 4ANJ "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" 100.00 149 97.30 99.32 3.48e-97 PDB 4BW7 "Calmodulin In Complex With Strontium" 100.00 149 99.32 100.00 2.64e-99 PDB 4BW8 "Calmodulin With Small Bend In Central Helix" 100.00 149 99.32 100.00 2.64e-99 PDB 4BYF "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" 100.00 149 99.32 100.00 2.64e-99 PDB 4CLN "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" 100.00 148 97.30 99.32 3.26e-97 PDB 4DBP "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" 100.00 149 97.30 99.32 3.48e-97 PDB 4DBQ "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" 100.00 149 97.30 99.32 3.48e-97 PDB 4DCK "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" 100.00 149 99.32 100.00 2.64e-99 PDB 4DJC "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" 100.00 152 99.32 100.00 1.46e-99 PDB 4E50 "Calmodulin And Ng Peptide Complex" 100.00 185 99.32 100.00 1.30e-99 PDB 4EHQ "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" 100.00 148 99.32 100.00 2.26e-99 PDB 4G27 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" 100.00 149 99.32 100.00 2.64e-99 PDB 4G28 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" 100.00 149 99.32 100.00 2.64e-99 PDB 4HEX "A Novel Conformation Of Calmodulin" 100.00 156 99.32 100.00 1.01e-99 PDB 4IK1 "High Resolution Structure Of Gcampj At Ph 8.5" 99.32 448 99.32 99.32 1.91e-94 PDB 4IK3 "High Resolution Structure Of Gcamp3 At Ph 8.5" 99.32 448 100.00 100.00 1.46e-95 PDB 4IK4 "High Resolution Structure Of Gcamp3 At Ph 5.0" 99.32 448 100.00 100.00 1.46e-95 PDB 4IK5 "High Resolution Structure Of Delta-rest-gcamp3" 99.32 414 100.00 100.00 5.40e-96 PDB 4IK8 "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" 99.32 448 100.00 100.00 1.46e-95 PDB 4IK9 "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" 99.32 448 100.00 100.00 1.46e-95 PDB 4J9Y "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" 100.00 149 99.32 100.00 2.64e-99 PDB 4J9Z "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" 100.00 149 99.32 100.00 2.64e-99 PDB 4JPZ "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4JQ0 "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4L79 "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4LZX "Complex Of Iqcg And Ca2+-free Cam" 100.00 148 99.32 100.00 2.26e-99 PDB 4M1L "Complex Of Iqcg And Ca2+-bound Cam" 100.00 148 99.32 100.00 2.26e-99 PDB 4Q5U "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" 100.00 149 99.32 100.00 2.64e-99 PDB 4QNH "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" 100.00 149 98.65 99.32 3.55e-98 PDB 4R8G "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 4UMO "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4UPU "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 4V0C "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 99.32 100.00 2.64e-99 DBJ BAA08302 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 2.64e-99 DBJ BAA11896 "calmodulin [Anas platyrhynchos]" 100.00 149 99.32 100.00 2.64e-99 DBJ BAA19786 "calmodulin [Branchiostoma lanceolatum]" 100.00 149 97.30 99.32 3.48e-97 DBJ BAA19787 "calmodulin [Branchiostoma floridae]" 100.00 149 97.30 99.32 3.48e-97 DBJ BAA19788 "calmodulin [Halocynthia roretzi]" 100.00 149 97.30 99.32 3.48e-97 EMBL CAA10601 "calmodulin [Caenorhabditis elegans]" 100.00 149 97.30 98.65 7.98e-97 EMBL CAA32050 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 EMBL CAA32062 "calmodulin II [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 EMBL CAA32119 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 EMBL CAA32120 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 GB AAA35635 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 2.64e-99 GB AAA35641 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 2.64e-99 GB AAA37365 "calmodulin synthesis [Mus musculus]" 100.00 149 99.32 100.00 2.64e-99 GB AAA40862 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 GB AAA40863 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 PIR JC1305 "calmodulin - Japanese medaka" 100.00 149 99.32 100.00 2.64e-99 PIR MCON "calmodulin - salmon" 100.00 148 99.32 100.00 2.26e-99 PRF 0608335A calmodulin 100.00 148 98.65 99.32 7.13e-98 PRF 0711223A calmodulin 100.00 148 97.30 99.32 6.77e-97 REF NP_001008160 "calmodulin 2 (phosphorylase kinase, delta) [Xenopus (Silurana) tropicalis]" 100.00 149 99.32 100.00 2.64e-99 REF NP_001009759 "calmodulin [Ovis aries]" 100.00 149 99.32 100.00 2.64e-99 REF NP_001039714 "calmodulin [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 REF NP_001040234 "calmodulin [Bombyx mori]" 100.00 149 97.30 99.32 3.48e-97 REF NP_001080864 "calmodulin [Xenopus laevis]" 100.00 149 99.32 100.00 2.64e-99 SP O16305 "RecName: Full=Calmodulin; Short=CaM [Caenorhabditis elegans]" 100.00 149 97.30 98.65 7.98e-97 SP P02594 "RecName: Full=Calmodulin; Short=CaM [Electrophorus electricus]" 100.00 149 98.65 100.00 8.96e-99 SP P02595 "RecName: Full=Calmodulin; Short=CaM [Patinopecten sp.]" 100.00 149 97.30 99.32 9.40e-97 SP P11121 "RecName: Full=Calmodulin; Short=CaM [Pyuridae gen. sp.]" 100.00 149 97.97 99.32 1.05e-97 SP P21251 "RecName: Full=Calmodulin; Short=CaM [Apostichopus japonicus]" 100.00 149 97.97 99.32 6.40e-98 TPG DAA13808 "TPA: calmodulin 2-like [Bos taurus]" 100.00 216 97.97 98.65 1.23e-97 TPG DAA18029 "TPA: calmodulin [Bos taurus]" 100.00 149 97.97 99.32 4.71e-98 TPG DAA19590 "TPA: calmodulin 3 [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 TPG DAA24777 "TPA: calmodulin 2-like [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 TPG DAA24988 "TPA: calmodulin 2-like isoform 1 [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_TM _Saveframe_category ligand _Mol_type non-polymer _Name_common "TM (Tulium(III) ION)" _BMRB_code . _PDB_code TM _Molecular_mass 158.925 _Mol_charge 3 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 20:58:45 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons TM TM TM N 3 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calmodulin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $calmodulin 'recombinant technology' . Escherichia coli . pET16b-CaM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calmodulin 0.4 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calmodulin 0.4 mM '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_IPAP_5 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP _Sample_label $sample_2 save_ save_relaxation_measurement_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'relaxation measurement' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio dioxane C 13 'methyl carbon' ppm 69.46 external direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 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_3CaTmCaM _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name calmodulin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA H H 7.968 0.01 1 2 1 1 ALA C C 176.127 0.2 1 3 1 1 ALA CA C 51.712 0.2 1 4 1 1 ALA N N 123.641 0.2 1 5 2 2 ASP H H 7.263 0.01 1 6 2 2 ASP C C 174.727 0.2 1 7 2 2 ASP CA C 53.440 0.2 1 8 2 2 ASP N N 116.311 0.2 1 9 3 3 GLN H H 7.272 0.01 1 10 3 3 GLN C C 174.427 0.2 1 11 3 3 GLN CA C 53.960 0.2 1 12 3 3 GLN N N 117.325 0.2 1 13 4 4 LEU H H 6.934 0.01 1 14 4 4 LEU C C 176.027 0.2 1 15 4 4 LEU CA C 52.708 0.2 1 16 4 4 LEU N N 121.119 0.2 1 17 5 5 THR H H 8.090 0.01 1 18 5 5 THR C C 173.927 0.2 1 19 5 5 THR CA C 58.857 0.2 1 20 5 5 THR N N 112.191 0.2 1 21 6 6 GLU H H 8.285 0.01 1 22 6 6 GLU C C 178.027 0.2 1 23 6 6 GLU CA C 58.380 0.2 1 24 6 6 GLU N N 119.663 0.2 1 25 7 7 GLU H H 8.028 0.01 1 26 7 7 GLU C C 177.727 0.2 1 27 7 7 GLU CA C 58.523 0.2 1 28 7 7 GLU N N 118.856 0.2 1 29 8 8 GLN H H 7.024 0.01 1 30 8 8 GLN C C 176.627 0.2 1 31 8 8 GLN CA C 57.105 0.2 1 32 8 8 GLN N N 119.814 0.2 1 33 9 9 ILE H H 7.314 0.01 1 34 9 9 ILE C C 175.627 0.2 1 35 9 9 ILE CA C 64.152 0.2 1 36 9 9 ILE N N 118.077 0.2 1 37 10 10 ALA H H 6.991 0.01 1 38 10 10 ALA C C 179.427 0.2 1 39 10 10 ALA CA C 53.571 0.2 1 40 10 10 ALA N N 119.995 0.2 1 41 11 11 GLU H H 6.934 0.01 1 42 11 11 GLU C C 177.427 0.2 1 43 11 11 GLU CA C 58.063 0.2 1 44 11 11 GLU N N 118.950 0.2 1 45 12 12 PHE H H 7.594 0.01 1 46 12 12 PHE C C 177.027 0.2 1 47 12 12 PHE CA C 56.944 0.2 1 48 12 12 PHE N N 118.604 0.2 1 49 13 13 LYS H H 7.811 0.01 1 50 13 13 LYS C C 176.927 0.2 1 51 13 13 LYS CA C 57.416 0.2 1 52 13 13 LYS N N 121.471 0.2 1 53 14 14 GLU H H 6.855 0.01 1 54 14 14 GLU C C 178.327 0.2 1 55 14 14 GLU CA C 58.036 0.2 1 56 14 14 GLU N N 119.888 0.2 1 57 15 15 ALA H H 7.504 0.01 1 58 15 15 ALA C C 177.227 0.2 1 59 15 15 ALA CA C 54.481 0.2 1 60 15 15 ALA N N 121.647 0.2 1 61 16 16 PHE H H 7.925 0.01 1 62 16 16 PHE C C 175.627 0.2 1 63 16 16 PHE CA C 60.721 0.2 1 64 16 16 PHE N N 118.309 0.2 1 65 17 17 SER H H 6.970 0.01 1 66 17 17 SER C C 173.427 0.2 1 67 17 17 SER CA C 59.689 0.2 1 68 17 17 SER N N 111.634 0.2 1 69 18 18 LEU H H 7.050 0.01 1 70 18 18 LEU C C 177.427 0.2 1 71 18 18 LEU CA C 56.644 0.2 1 72 18 18 LEU N N 120.839 0.2 1 73 19 19 PHE H H 7.357 0.01 1 74 19 19 PHE C C 177.327 0.2 1 75 19 19 PHE CA C 60.339 0.2 1 76 19 19 PHE N N 113.379 0.2 1 77 20 20 ASP H H 7.578 0.01 1 78 20 20 ASP C C 175.827 0.2 1 79 20 20 ASP CA C 50.977 0.2 1 80 20 20 ASP N N 117.182 0.2 1 81 21 21 LYS H H 7.810 0.01 1 82 21 21 LYS C C 176.927 0.2 1 83 21 21 LYS CA C 57.596 0.2 1 84 21 21 LYS N N 124.442 0.2 1 85 22 22 ASP H H 7.068 0.01 1 86 22 22 ASP C C 175.627 0.2 1 87 22 22 ASP CA C 51.145 0.2 1 88 22 22 ASP N N 112.885 0.2 1 89 23 23 GLY H H 6.181 0.01 1 90 23 23 GLY C C 171.927 0.2 1 91 23 23 GLY CA C 44.370 0.2 1 92 23 23 GLY N N 107.516 0.2 1 93 24 24 ASP H H 5.917 0.01 1 94 24 24 ASP CA C 49.845 0.2 1 95 24 24 ASP N N 118.068 0.2 1 96 30 30 LYS H H 9.431 0.01 1 97 30 30 LYS C C 180.927 0.2 1 98 30 30 LYS CA C 59.802 0.2 1 99 30 30 LYS N N 123.125 0.2 1 100 31 31 GLU H H 9.802 0.01 1 101 31 31 GLU C C 181.427 0.2 1 102 31 31 GLU CA C 60.722 0.2 1 103 31 31 GLU N N 123.934 0.2 1 104 32 32 LEU H H 12.573 0.01 1 105 32 32 LEU C C 181.327 0.2 1 106 32 32 LEU CA C 61.644 0.2 1 107 32 32 LEU N N 123.594 0.2 1 108 33 33 GLY H H 11.386 0.01 1 109 33 33 GLY C C 175.927 0.2 1 110 33 33 GLY CA C 49.732 0.2 1 111 33 33 GLY N N 107.476 0.2 1 112 34 34 THR H H 9.677 0.01 1 113 34 34 THR C C 177.727 0.2 1 114 34 34 THR CA C 67.458 0.2 1 115 34 34 THR N N 119.301 0.2 1 116 35 35 VAL H H 9.125 0.01 1 117 35 35 VAL C C 179.527 0.2 1 118 35 35 VAL CA C 67.089 0.2 1 119 35 35 VAL N N 122.809 0.2 1 120 36 36 MET H H 10.367 0.01 1 121 36 36 MET C C 179.727 0.2 1 122 36 36 MET CA C 60.345 0.2 1 123 36 36 MET N N 119.888 0.2 1 124 37 37 ARG H H 9.802 0.01 1 125 37 37 ARG C C 178.227 0.2 1 126 37 37 ARG CA C 59.148 0.2 1 127 37 37 ARG N N 119.086 0.2 1 128 38 38 SER H H 8.492 0.01 1 129 38 38 SER C C 178.127 0.2 1 130 38 38 SER CA C 59.067 0.2 1 131 38 38 SER N N 119.936 0.2 1 132 39 39 LEU H H 8.214 0.01 1 133 39 39 LEU C C 176.727 0.2 1 134 39 39 LEU CA C 53.935 0.2 1 135 39 39 LEU N N 120.703 0.2 1 136 40 40 GLY H H 8.423 0.01 1 137 40 40 GLY C C 174.427 0.2 1 138 40 40 GLY CA C 45.642 0.2 1 139 40 40 GLY N N 106.480 0.2 1 140 41 41 GLN H H 8.805 0.01 1 141 41 41 GLN C C 174.427 0.2 1 142 41 41 GLN CA C 54.597 0.2 1 143 41 41 GLN N N 119.218 0.2 1 144 42 42 ASN H H 9.724 0.01 1 145 42 42 ASN CA C 51.466 0.2 1 146 42 42 ASN N N 117.171 0.2 1 147 44 44 THR H H 9.975 0.01 1 148 44 44 THR C C 175.627 0.2 1 149 44 44 THR CA C 60.547 0.2 1 150 44 44 THR N N 114.552 0.2 1 151 45 45 GLU H H 9.520 0.01 1 152 45 45 GLU C C 179.327 0.2 1 153 45 45 GLU CA C 60.085 0.2 1 154 45 45 GLU N N 121.412 0.2 1 155 46 46 ALA H H 8.929 0.01 1 156 46 46 ALA C C 180.727 0.2 1 157 46 46 ALA CA C 55.086 0.2 1 158 46 46 ALA N N 121.942 0.2 1 159 47 47 GLU H H 8.899 0.01 1 160 47 47 GLU C C 181.927 0.2 1 161 47 47 GLU CA C 60.085 0.2 1 162 47 47 GLU N N 120.106 0.2 1 163 48 48 LEU H H 10.215 0.01 1 164 48 48 LEU CA C 60.501 0.2 1 165 48 48 LEU N N 122.699 0.2 1 166 49 49 GLN H H 10.273 0.01 1 167 49 49 GLN C C 180.727 0.2 1 168 49 49 GLN CA C 60.337 0.2 1 169 49 49 GLN N N 121.491 0.2 1 170 50 50 ASP H H 10.335 0.01 1 171 50 50 ASP C C 182.527 0.2 1 172 50 50 ASP CA C 59.623 0.2 1 173 50 50 ASP N N 122.722 0.2 1 174 51 51 MET H H 12.456 0.01 1 175 51 51 MET CA C 65.582 0.2 1 176 51 51 MET N N 124.988 0.2 1 177 79 79 THR H H 8.084 0.01 1 178 79 79 THR C C 173.227 0.2 1 179 79 79 THR CA C 61.500 0.2 1 180 79 79 THR N N 113.992 0.2 1 181 80 80 ASP H H 8.873 0.01 1 182 80 80 ASP C C 175.627 0.2 1 183 80 80 ASP CA C 53.166 0.2 1 184 80 80 ASP N N 124.357 0.2 1 185 81 81 SER H H 9.081 0.01 1 186 81 81 SER C C 175.127 0.2 1 187 81 81 SER CA C 59.179 0.2 1 188 81 81 SER N N 120.201 0.2 1 189 82 82 GLU H H 8.752 0.01 1 190 82 82 GLU CA C 59.313 0.2 1 191 82 82 GLU N N 122.409 0.2 1 192 85 85 ILE H H 8.454 0.01 1 193 85 85 ILE C C 177.527 0.2 1 194 85 85 ILE CA C 65.250 0.2 1 195 85 85 ILE N N 122.104 0.2 1 196 86 86 ARG H H 8.569 0.01 1 197 86 86 ARG C C 179.027 0.2 1 198 86 86 ARG CA C 59.804 0.2 1 199 86 86 ARG N N 122.154 0.2 1 200 87 87 GLU H H 8.765 0.01 1 201 87 87 GLU C C 179.227 0.2 1 202 87 87 GLU CA C 58.487 0.2 1 203 87 87 GLU N N 118.344 0.2 1 204 88 88 ALA H H 8.622 0.01 1 205 88 88 ALA C C 179.027 0.2 1 206 88 88 ALA CA C 55.069 0.2 1 207 88 88 ALA N N 122.882 0.2 1 208 89 89 PHE H H 8.916 0.01 1 209 89 89 PHE C C 176.427 0.2 1 210 89 89 PHE CA C 62.110 0.2 1 211 89 89 PHE N N 119.673 0.2 1 212 90 90 ARG H H 7.966 0.01 1 213 90 90 ARG C C 177.227 0.2 1 214 90 90 ARG CA C 58.352 0.2 1 215 90 90 ARG N N 115.653 0.2 1 216 91 91 VAL H H 7.724 0.01 1 217 91 91 VAL C C 176.327 0.2 1 218 91 91 VAL CA C 65.284 0.2 1 219 91 91 VAL N N 118.305 0.2 1 220 92 92 PHE H H 7.325 0.01 1 221 92 92 PHE C C 176.127 0.2 1 222 92 92 PHE CA C 60.238 0.2 1 223 92 92 PHE N N 114.135 0.2 1 224 93 93 ASP H H 8.154 0.01 1 225 93 93 ASP C C 177.027 0.2 1 226 93 93 ASP CA C 51.486 0.2 1 227 93 93 ASP N N 116.629 0.2 1 228 94 94 LYS H H 7.987 0.01 1 229 94 94 LYS C C 177.827 0.2 1 230 94 94 LYS CA C 58.523 0.2 1 231 94 94 LYS N N 125.841 0.2 1 232 95 95 ASP H H 8.366 0.01 1 233 95 95 ASP C C 177.227 0.2 1 234 95 95 ASP CA C 52.334 0.2 1 235 95 95 ASP N N 114.167 0.2 1 236 96 96 GLY H H 7.990 0.01 1 237 96 96 GLY C C 174.527 0.2 1 238 96 96 GLY CA C 46.436 0.2 1 239 96 96 GLY N N 109.408 0.2 1 240 97 97 ASN H H 8.502 0.01 1 241 97 97 ASN C C 175.527 0.2 1 242 97 97 ASN CA C 51.949 0.2 1 243 97 97 ASN N N 119.931 0.2 1 244 98 98 GLY H H 10.829 0.01 1 245 98 98 GLY C C 172.227 0.2 1 246 98 98 GLY CA C 44.301 0.2 1 247 98 98 GLY N N 112.886 0.2 1 248 99 99 TYR H H 7.802 0.01 1 249 99 99 TYR C C 174.027 0.2 1 250 99 99 TYR CA C 55.532 0.2 1 251 99 99 TYR N N 116.399 0.2 1 252 100 100 ILE H H 10.257 0.01 1 253 100 100 ILE C C 174.727 0.2 1 254 100 100 ILE CA C 60.622 0.2 1 255 100 100 ILE N N 127.589 0.2 1 256 101 101 SER H H 9.076 0.01 1 257 101 101 SER C C 174.527 0.2 1 258 101 101 SER CA C 54.993 0.2 1 259 101 101 SER N N 123.884 0.2 1 260 102 102 ALA H H 9.285 0.01 1 261 102 102 ALA C C 178.527 0.2 1 262 102 102 ALA CA C 55.191 0.2 1 263 102 102 ALA N N 123.132 0.2 1 264 103 103 ALA H H 8.294 0.01 1 265 103 103 ALA C C 180.927 0.2 1 266 103 103 ALA CA C 54.441 0.2 1 267 103 103 ALA N N 118.710 0.2 1 268 104 104 GLU H H 7.992 0.01 1 269 104 104 GLU C C 178.527 0.2 1 270 104 104 GLU CA C 58.765 0.2 1 271 104 104 GLU N N 120.868 0.2 1 272 105 105 LEU H H 8.568 0.01 1 273 105 105 LEU C C 177.627 0.2 1 274 105 105 LEU CA C 58.020 0.2 1 275 105 105 LEU N N 121.158 0.2 1 276 106 106 ARG H H 8.767 0.01 1 277 106 106 ARG CA C 59.343 0.2 1 278 106 106 ARG N N 118.114 0.2 1 279 108 108 VAL H H 8.120 0.01 1 280 108 108 VAL C C 177.727 0.2 1 281 108 108 VAL CA C 66.220 0.2 1 282 108 108 VAL N N 119.008 0.2 1 283 109 109 MET H H 8.501 0.01 1 284 109 109 MET C C 178.727 0.2 1 285 109 109 MET CA C 56.578 0.2 1 286 109 109 MET N N 115.686 0.2 1 287 110 110 THR H H 8.394 0.01 1 288 110 110 THR C C 177.827 0.2 1 289 110 110 THR CA C 66.026 0.2 1 290 110 110 THR N N 116.605 0.2 1 291 111 111 ASN H H 7.868 0.01 1 292 111 111 ASN C C 176.027 0.2 1 293 111 111 ASN CA C 55.384 0.2 1 294 111 111 ASN N N 123.363 0.2 1 295 112 112 LEU H H 7.961 0.01 1 296 112 112 LEU C C 175.827 0.2 1 297 112 112 LEU CA C 54.582 0.2 1 298 112 112 LEU N N 119.320 0.2 1 299 113 113 GLY H H 7.757 0.01 1 300 113 113 GLY C C 173.527 0.2 1 301 113 113 GLY CA C 44.342 0.2 1 302 113 113 GLY N N 105.944 0.2 1 303 114 114 GLU H H 7.976 0.01 1 304 114 114 GLU C C 174.327 0.2 1 305 114 114 GLU CA C 54.072 0.2 1 306 114 114 GLU N N 120.478 0.2 1 307 115 115 LYS H H 8.497 0.01 1 308 115 115 LYS C C 174.627 0.2 1 309 115 115 LYS CA C 54.418 0.2 1 310 115 115 LYS N N 125.537 0.2 1 311 116 116 LEU H H 7.978 0.01 1 312 116 116 LEU C C 177.527 0.2 1 313 116 116 LEU CA C 53.014 0.2 1 314 116 116 LEU N N 124.658 0.2 1 315 117 117 THR H H 9.195 0.01 1 316 117 117 THR C C 174.727 0.2 1 317 117 117 THR CA C 59.754 0.2 1 318 117 117 THR N N 114.788 0.2 1 319 118 118 ASP H H 8.862 0.01 1 320 118 118 ASP C C 177.827 0.2 1 321 118 118 ASP CA C 57.187 0.2 1 322 118 118 ASP N N 121.080 0.2 1 323 119 119 GLU H H 8.580 0.01 1 324 119 119 GLU C C 178.427 0.2 1 325 119 119 GLU CA C 59.130 0.2 1 326 119 119 GLU N N 119.282 0.2 1 327 120 120 GLU H H 7.645 0.01 1 328 120 120 GLU C C 178.927 0.2 1 329 120 120 GLU CA C 58.357 0.2 1 330 120 120 GLU N N 120.480 0.2 1 331 121 121 VAL H H 8.004 0.01 1 332 121 121 VAL C C 176.527 0.2 1 333 121 121 VAL CA C 66.196 0.2 1 334 121 121 VAL N N 120.724 0.2 1 335 122 122 ASP H H 7.843 0.01 1 336 122 122 ASP C C 178.227 0.2 1 337 122 122 ASP CA C 56.792 0.2 1 338 122 122 ASP N N 119.204 0.2 1 339 123 123 GLU H H 8.015 0.01 1 340 123 123 GLU C C 177.627 0.2 1 341 123 123 GLU CA C 58.523 0.2 1 342 123 123 GLU N N 119.497 0.2 1 343 124 124 MET H H 7.759 0.01 1 344 124 124 MET C C 178.227 0.2 1 345 124 124 MET CA C 59.287 0.2 1 346 124 124 MET N N 119.845 0.2 1 347 125 125 ILE H H 8.042 0.01 1 348 125 125 ILE C C 179.527 0.2 1 349 125 125 ILE CA C 62.405 0.2 1 350 125 125 ILE N N 119.551 0.2 1 351 126 126 ARG H H 8.280 0.01 1 352 126 126 ARG C C 177.727 0.2 1 353 126 126 ARG CA C 58.885 0.2 1 354 126 126 ARG N N 118.251 0.2 1 355 127 127 GLU H H 7.939 0.01 1 356 127 127 GLU C C 176.227 0.2 1 357 127 127 GLU CA C 58.181 0.2 1 358 127 127 GLU N N 117.057 0.2 1 359 128 128 ALA H H 7.169 0.01 1 360 128 128 ALA C C 176.727 0.2 1 361 128 128 ALA CA C 50.524 0.2 1 362 128 128 ALA N N 117.409 0.2 1 363 129 129 ASP H H 8.052 0.01 1 364 129 129 ASP C C 175.027 0.2 1 365 129 129 ASP CA C 53.709 0.2 1 366 129 129 ASP N N 118.310 0.2 1 367 130 130 ILE H H 8.244 0.01 1 368 130 130 ILE C C 177.127 0.2 1 369 130 130 ILE CA C 62.596 0.2 1 370 130 130 ILE N N 128.095 0.2 1 371 131 131 ASP H H 8.327 0.01 1 372 131 131 ASP C C 177.427 0.2 1 373 131 131 ASP CA C 53.182 0.2 1 374 131 131 ASP N N 116.616 0.2 1 375 132 132 GLY H H 7.642 0.01 1 376 132 132 GLY C C 174.427 0.2 1 377 132 132 GLY CA C 46.598 0.2 1 378 132 132 GLY N N 108.844 0.2 1 379 133 133 ASP H H 8.361 0.01 1 380 133 133 ASP C C 176.827 0.2 1 381 133 133 ASP CA C 52.907 0.2 1 382 133 133 ASP N N 120.707 0.2 1 383 134 134 GLY H H 10.179 0.01 1 384 134 134 GLY C C 171.927 0.2 1 385 134 134 GLY CA C 45.026 0.2 1 386 134 134 GLY N N 112.597 0.2 1 387 135 135 GLN H H 7.981 0.01 1 388 135 135 GLN C C 174.427 0.2 1 389 135 135 GLN CA C 52.494 0.2 1 390 135 135 GLN N N 115.278 0.2 1 391 136 136 VAL H H 9.162 0.01 1 392 136 136 VAL C C 175.227 0.2 1 393 136 136 VAL CA C 60.927 0.2 1 394 136 136 VAL N N 125.528 0.2 1 395 137 137 ASN H H 9.489 0.01 1 396 137 137 ASN C C 174.127 0.2 1 397 137 137 ASN CA C 50.317 0.2 1 398 137 137 ASN N N 129.191 0.2 1 399 138 138 TYR H H 8.464 0.01 1 400 138 138 TYR C C 175.527 0.2 1 401 138 138 TYR CA C 61.668 0.2 1 402 138 138 TYR N N 118.949 0.2 1 403 139 139 GLU H H 8.156 0.01 1 404 139 139 GLU C C 179.627 0.2 1 405 139 139 GLU CA C 59.567 0.2 1 406 139 139 GLU N N 118.627 0.2 1 407 140 140 GLU H H 8.786 0.01 1 408 140 140 GLU C C 178.627 0.2 1 409 140 140 GLU CA C 58.049 0.2 1 410 140 140 GLU N N 120.096 0.2 1 411 141 141 PHE H H 8.620 0.01 1 412 141 141 PHE C C 176.127 0.2 1 413 141 141 PHE CA C 61.349 0.2 1 414 141 141 PHE N N 124.683 0.2 1 415 142 142 VAL H H 8.761 0.01 1 416 142 142 VAL C C 178.927 0.2 1 417 142 142 VAL CA C 66.449 0.2 1 418 142 142 VAL N N 118.984 0.2 1 419 143 143 GLN H H 7.921 0.01 1 420 143 143 GLN C C 178.427 0.2 1 421 143 143 GLN CA C 58.136 0.2 1 422 143 143 GLN N N 120.181 0.2 1 423 144 144 MET H H 7.631 0.01 1 424 144 144 MET C C 177.327 0.2 1 425 144 144 MET CA C 57.030 0.2 1 426 144 144 MET N N 118.272 0.2 1 427 145 145 MET H H 7.574 0.01 1 428 145 145 MET C C 177.427 0.2 1 429 145 145 MET CA C 54.145 0.2 1 430 145 145 MET N N 114.942 0.2 1 431 146 146 THR H H 7.750 0.01 1 432 146 146 THR C C 173.627 0.2 1 433 146 146 THR CA C 61.239 0.2 1 434 146 146 THR N N 109.969 0.2 1 435 147 147 ALA H H 7.498 0.01 1 436 147 147 ALA C C 176.127 0.2 1 437 147 147 ALA CA C 52.095 0.2 1 438 147 147 ALA N N 126.905 0.2 1 439 148 148 LYS H H 8.021 0.01 1 440 148 148 LYS CA C 57.030 0.2 1 441 148 148 LYS N N 126.790 0.2 1 stop_ save_ save_3CaTmCaM_DAPk_rdc _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_2 $sample_2 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value . 4 LEU . 4 LEU . 7.165 $TOPSPIN ? ? . . . 5 THR . 5 THR . 15.254 $CARA ? ? . . . 6 GLU . 6 GLU . -5.959 $CARA ? ? . . . 7 GLU . 7 GLU . -6.172 $CARA ? ? . . . 8 GLN . 8 GLN . 0.142 $CARA ? ? . . . 9 ILE . 9 ILE . -5.037 $CARA ? ? . . . 10 ALA . 10 ALA . -9.294 $CARA ? ? . . . 11 GLU . 11 GLU . -4.824 $CARA ? ? . . . 12 PHE . 12 PHE . 0.993 $CARA ? ? . . . 13 LYS . 13 LYS . -9.862 $CARA ? ? . . . 14 GLU . 14 GLU . -5.605 $CARA ? ? . . . 15 ALA . 15 ALA . -4.398 $CARA ? ? . . . 16 PHE . 16 PHE . 0.212 $CARA ? ? . . . 17 SER . 17 SER . -16.176 $CARA ? ? . . . 18 LEU . 18 LEU . -3.973 $CARA ? ? . . . 19 PHE . 19 PHE . -2.341 $CARA ? ? . . . 20 ASP . 20 ASP . -10.216 $CARA ? ? . . . 21 LYS . 21 LYS . -6.598 $CARA ? ? . . . 22 ASP . 22 ASP . -11.281 $CARA ? ? . . . 23 GLY . 23 GLY . 12.061 $CARA ? ? . . . 24 ASP . 24 ASP . 6.9531 $CARA ? ? . . . 30 LYS . 30 LYS . 17.382 $CARA ? ? . . . 31 GLU . 31 GLU . 14.899 $CARA ? ? . . . 32 LEU . 32 LEU . 5.817 $CARA ? ? . . . 33 GLY . 33 GLY . 8.159 $CARA ? ? . . . 34 THR . 34 THR . 18.305 $CARA ? ? . . . 35 VAL . 35 VAL . 13.551 $CARA ? ? . . . 36 MET . 36 MET . 11.919 $CARA ? ? . . . 37 ARG . 37 ARG . 14.828 $CARA ? ? . . . 39 LEU . 39 LEU . -2.128 $CARA ? ? . . . 40 GLY . 40 GLY . 3.050 $CARA ? ? . . . 41 GLN . 41 GLN . 5.250 $CARA ? ? . . . 42 ASN . 42 ASN . 0.142 $CARA ? ? . . . 44 THR . 44 THR . -3.973 $CARA ? ? . . . 45 GLU . 45 GLU . -2.908 $CARA ? ? . . . 46 ALA . 46 ALA . 3.831 $CARA ? ? . . . 47 GLU . 47 GLU . 5.037 $CARA ? ? . . . 49 GLN . 49 GLN . -2.128 $CARA ? ? . . . 50 ASP . 50 ASP . 9.507 $CARA ? ? . . . 51 MET . 51 MET . -0.000 $CARA ? ? . . . 79 THR . 79 THR . -3.405 $CARA ? ? . . . 80 ASP . 80 ASP . -7.591 $CARA ? ? . . . 81 SER . 81 SER . -2.554 $CARA ? ? . . . 82 GLU . 82 GLU . 3.121 $CARA ? ? . . . 85 ILE . 85 ILE . -2.057 $CARA ? ? . . . 86 ARG . 86 ARG . -2.979 $CARA ? ? . . . 87 GLU . 87 GLU . -1.844 $CARA ? ? . . . 88 ALA . 88 ALA . -3.121 $CARA ? ? . . . 89 PHE . 89 PHE . -2.767 $CARA ? ? . . . 90 ARG . 90 ARG . -3.760 $CARA ? ? . . . 91 VAL . 91 VAL . -4.044 $CARA ? ? . . . 92 PHE . 92 PHE . -2.128 $CARA ? ? . . . 93 ASP . 93 ASP . -3.192 $CARA ? ? . . . 94 LYS . 94 LYS . -7.307 $CARA ? ? . . . 95 ASP . 95 ASP . -15.183 $CARA ? ? . . . 96 GLY . 96 GLY . 8.088 $CARA ? ? . . . 97 ASN . 97 ASN . 3.618 $CARA ? ? . . . 98 GLY . 98 GLY . 9.436 $CARA ? ? . . . 99 TYR . 99 TYR . -9.294 $CARA ? ? . . . 100 ILE . 100 ILE . -6.385 $CARA ? ? . . . 101 SER . 101 SER . -13.267 $CARA ? ? . . . 102 ALA . 102 ALA . 11.706 $CARA ? ? . . . 103 ALA . 103 ALA . 14.119 $CARA ? ? . . . 104 GLU . 104 GLU . 12.274 $CARA ? ? . . . 105 LEU . 105 LEU . 9.720 $CARA ? ? . . . 106 ARG . 106 ARG . 14.615 $CARA ? ? . . . 108 VAL . 108 VAL . 11.564 $CARA ? ? . . . 109 MET . 109 MET . 13.480 $CARA ? ? . . . 110 THR . 110 THR . 16.602 $CARA ? ? . . . 111 ASN . 111 ASN . 16.460 $CARA ? ? . . . 112 LEU . 112 LEU . 7.875 $CARA ? ? . . . 113 GLY . 113 GLY . 6.030 $CARA ? ? . . . 114 GLU . 114 GLU . 4.469 $CARA ? ? . . . 115 LYS . 115 LYS . 5.676 $CARA ? ? . . . 116 LEU . 116 LEU . -6.598 $CARA ? ? . . . 117 THR . 117 THR . -3.405 $CARA ? ? . . . 118 ASP . 118 ASP . -3.689 $CARA ? ? . . . 119 GLU . 119 GLU . 4.611 $CARA ? ? . . . 120 GLU . 120 GLU . 0.638 $CARA ? ? . . . 121 VAL . 121 VAL . -1.844 $CARA ? ? . . . 122 ASP . 122 ASP . 0.000 $CARA ? ? . . . 123 GLU . 123 GLU . 5.108 $CARA ? ? . . . 124 MET . 124 MET . -1.206 $CARA ? ? . . . 125 ILE . 125 ILE . -1.915 $CARA ? ? . . . 126 ARG . 126 ARG . 2.483 $CARA ? ? . . . 127 GLU . 127 GLU . 1.348 $CARA ? ? . . . 128 ALA . 128 ALA . -2.270 $CARA ? ? . . . 129 ASP . 129 ASP . 3.547 $CARA ? ? . . . 130 ILE . 130 ILE . -9.010 $CARA ? ? . . . 131 ASP . 131 ASP . -2.412 $CARA ? ? . . . 132 GLY . 132 GLY . 8.230 $CARA ? ? . . . 133 ASP . 133 ASP . 0.283 $CARA ? ? . . . 134 GLY . 134 GLY . -5.392 $CARA ? ? . . . 135 GLN . 135 GLN . 4.540 $CARA ? ? . . . 136 VAL . 136 VAL . -3.618 $CARA ? ? . . . 137 ASN . 137 ASN . -9.081 $CARA ? ? . . . 138 TYR . 138 TYR . 5.746 $CARA ? ? . . . 139 GLU . 139 GLU . 14.757 $CARA ? ? . . . 140 GLU . 140 GLU . 1.206 $CARA ? ? . . . 141 PHE . 141 PHE . 0.922 $CARA ? ? . . . 142 VAL . 142 VAL . 11.919 $CARA ? ? . . . 143 GLN . 143 GLN . 10.145 $CARA ? ? . . . 144 MET . 144 MET . -2.128 $CARA ? ? . . . 145 MET . 145 MET . 6.811 $CARA ? ? . . . 146 THR . 146 THR . 10.713 $CARA ? ? . . . 147 ALA . 147 ALA . -2.128 $CARA ? ? . . . 148 LYS . 148 LYS . 4.5408 $CARA ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700.13 _Text_data_format . _Text_data . save_