data_7423 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CaM complexed to DAPk peptide ; _BMRB_accession_number 7423 _BMRB_flat_file_name bmr7423.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" 129 "13C chemical shifts" 365 "15N chemical shifts" 129 "residual dipolar couplings" 109 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' 7424 '3CaTb and CaM and DAPk complex' 7425 '3CaTm 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 'YTTERBIUM (III) ION' $YB 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 7424 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7425 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_YB _Saveframe_category ligand _Mol_type non-polymer _Name_common "YB (YTTERBIUM (III) ION)" _BMRB_code . _PDB_code YB _Molecular_mass 173.040 _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 21:20:10 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons YB YB YB 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_3CaYbCaM _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 8.506 0.01 1 2 1 1 ALA C C 176.627 0.2 1 3 1 1 ALA CA C 52.167 0.2 1 4 1 1 ALA CB C 17.254 0.2 1 5 1 1 ALA N N 123.855 0.2 1 6 2 2 ASP H H 7.662 0.01 1 7 2 2 ASP C C 175.127 0.2 1 8 2 2 ASP CA C 53.929 0.2 1 9 2 2 ASP CB C 39.529 0.2 1 10 2 2 ASP N N 116.632 0.2 1 11 3 3 GLN H H 7.615 0.01 1 12 3 3 GLN C C 174.727 0.2 1 13 3 3 GLN CA C 54.288 0.2 1 14 3 3 GLN CB C 28.362 0.2 1 15 3 3 GLN N N 117.783 0.2 1 16 4 4 LEU H H 7.439 0.01 1 17 4 4 LEU C C 176.527 0.2 1 18 4 4 LEU CA C 53.132 0.2 1 19 4 4 LEU CB C 42.26 0.2 1 20 4 4 LEU N N 121.467 0.2 1 21 5 5 THR H H 8.438 0.01 1 22 5 5 THR C C 174.427 0.2 1 23 5 5 THR CA C 59.34 0.2 1 24 5 5 THR CB C 70.237 0.2 1 25 5 5 THR N N 112.656 0.2 1 26 6 6 GLU H H 8.741 0.01 1 27 6 6 GLU C C 178.527 0.2 1 28 6 6 GLU CA C 59.076 0.2 1 29 6 6 GLU CB C 28.011 0.2 1 30 6 6 GLU N N 120.238 0.2 1 31 7 7 GLU H H 8.417 0.01 1 32 7 7 GLU C C 178.227 0.2 1 33 7 7 GLU CA C 58.968 0.2 1 34 7 7 GLU CB C 27.938 0.2 1 35 7 7 GLU N N 119.285 0.2 1 36 8 8 GLN H H 7.43 0.01 1 37 8 8 GLN C C 177.127 0.2 1 38 8 8 GLN CA C 57.51 0.2 1 39 8 8 GLN CB C 27.937 0.2 1 40 8 8 GLN N N 120.216 0.2 1 41 9 9 ILE H H 7.956 0.01 1 42 9 9 ILE C C 176.527 0.2 1 43 9 9 ILE CA C 65.121 0.2 1 44 9 9 ILE CB C 36.849 0.2 1 45 9 9 ILE N N 118.835 0.2 1 46 10 10 ALA H H 7.706 0.01 1 47 10 10 ALA C C 180.027 0.2 1 48 10 10 ALA CA C 54.36 0.2 1 49 10 10 ALA CB C 16.486 0.2 1 50 10 10 ALA N N 120.814 0.2 1 51 11 11 GLU H H 7.461 0.01 1 52 11 11 GLU C C 178.927 0.2 1 53 11 11 GLU CA C 58.504 0.2 1 54 11 11 GLU CB C 28.182 0.2 1 55 11 11 GLU N N 119.576 0.2 1 56 12 12 PHE H H 8.203 0.01 1 57 12 12 PHE C C 178.027 0.2 1 58 12 12 PHE CA C 57.585 0.2 1 59 12 12 PHE CB C 36.017 0.2 1 60 12 12 PHE N N 118.65 0.2 1 61 13 13 LYS H H 8.876 0.01 1 62 13 13 LYS C C 178.027 0.2 1 63 13 13 LYS CA C 58.839 0.2 1 64 13 13 LYS CB C 30.432 0.2 1 65 13 13 LYS N N 122.6 0.2 1 66 14 14 GLU H H 7.638 0.01 1 67 14 14 GLU C C 178.927 0.2 1 68 14 14 GLU CA C 58.849 0.2 1 69 14 14 GLU CB C 28.308 0.2 1 70 14 14 GLU N N 120.362 0.2 1 71 15 15 ALA H H 7.979 0.01 1 72 15 15 ALA C C 177.527 0.2 1 73 15 15 ALA CA C 54.745 0.2 1 74 15 15 ALA CB C 17.117 0.2 1 75 15 15 ALA N N 122.047 0.2 1 76 16 16 PHE H H 8.737 0.01 1 77 16 16 PHE C C 176.827 0.2 1 78 16 16 PHE CA C 61.82 0.2 1 79 16 16 PHE CB C 38.685 0.2 1 80 16 16 PHE N N 119.141 0.2 1 81 17 17 SER H H 8.114 0.01 1 82 17 17 SER C C 174.127 0.2 1 83 17 17 SER CA C 60.89 0.2 1 84 17 17 SER CB C 62.353 0.2 1 85 17 17 SER N N 112.833 0.2 1 86 18 18 LEU H H 7.537 0.01 1 87 18 18 LEU C C 177.527 0.2 1 88 18 18 LEU CA C 56.917 0.2 1 89 18 18 LEU CB C 40.634 0.2 1 90 18 18 LEU N N 121.421 0.2 1 91 19 19 PHE H H 7.555 0.01 1 92 19 19 PHE C C 177.627 0.2 1 93 19 19 PHE CA C 60.142 0.2 1 94 19 19 PHE CB C 41.787 0.2 1 95 19 19 PHE N N 113.503 0.2 1 96 20 20 ASP H H 8.469 0.01 1 97 20 20 ASP C C 176.927 0.2 1 98 20 20 ASP CA C 52.221 0.2 1 99 20 20 ASP CB C 38.085 0.2 1 100 20 20 ASP N N 117.943 0.2 1 101 21 21 LYS H H 8.375 0.01 1 102 21 21 LYS C C 177.527 0.2 1 103 21 21 LYS CA C 58.162 0.2 1 104 21 21 LYS CB C 32.142 0.2 1 105 21 21 LYS N N 124.99 0.2 1 106 22 22 ASP H H 8 0.01 1 107 22 22 ASP C C 176.727 0.2 1 108 22 22 ASP CA C 51.897 0.2 1 109 22 22 ASP CB C 38.512 0.2 1 110 22 22 ASP N N 113.734 0.2 1 111 23 23 GLY H H 7.52 0.01 1 112 23 23 GLY C C 173.827 0.2 1 113 23 23 GLY CA C 45.907 0.2 1 114 23 23 GLY N N 108.91 0.2 1 115 24 24 ASP H H 7.846 0.01 1 116 24 24 ASP C C 175.327 0.2 1 117 24 24 ASP CA C 52.049 0.2 1 118 24 24 ASP CB C 38.693 0.2 1 119 24 24 ASP N N 120.035 0.2 1 120 25 25 GLY H H 9.583 0.01 1 121 25 25 GLY C C 170.727 0.2 1 122 25 25 GLY CA C 42.521 0.2 1 123 25 25 GLY N N 111.753 0.2 1 124 26 26 THR H H 6.821 0.01 1 125 26 26 THR CA C 57.03 0.2 1 126 26 26 THR N N 108.281 0.2 1 127 28 28 THR H H 10.766 0.01 1 128 28 28 THR C C 178.927 0.2 1 129 28 28 THR CA C 61.925 0.2 1 130 28 28 THR CB C 73.571 0.2 1 131 28 28 THR N N 120.062 0.2 1 132 29 29 THR H H 11.727 0.01 1 133 29 29 THR C C 178.027 0.2 1 134 29 29 THR CA C 67.989 0.2 1 135 29 29 THR CB C 69.045 0.2 1 136 29 29 THR N N 115.763 0.2 1 137 30 30 LYS H H 8.919 0.01 1 138 30 30 LYS C C 180.227 0.2 1 139 30 30 LYS CA C 59.453 0.2 1 140 30 30 LYS CB C 32.271 0.2 1 141 30 30 LYS N N 122.338 0.2 1 142 31 31 GLU H H 9.147 0.01 1 143 31 31 GLU C C 180.327 0.2 1 144 31 31 GLU CA C 60.029 0.2 1 145 31 31 GLU CB C 30.124 0.2 1 146 31 31 GLU N N 123.281 0.2 1 147 32 32 LEU H H 10.708 0.01 1 148 32 32 LEU C C 179.627 0.2 1 149 32 32 LEU CA C 59.597 0.2 1 150 32 32 LEU CB C 44.527 0.2 1 151 32 32 LEU N N 122.169 0.2 1 152 33 33 GLY H H 9.945 0.01 1 153 33 33 GLY C C 175.027 0.2 1 154 33 33 GLY CA C 48.547 0.2 1 155 33 33 GLY N N 106.047 0.2 1 156 34 34 THR H H 8.923 0.01 1 157 34 34 THR C C 177.227 0.2 1 158 34 34 THR CA C 66.977 0.2 1 159 34 34 THR CB C 68.673 0.2 1 160 34 34 THR N N 118.512 0.2 1 161 35 35 VAL H H 8.313 0.01 1 162 35 35 VAL C C 178.727 0.2 1 163 35 35 VAL CA C 66.443 0.2 1 164 35 35 VAL CB C 31.689 0.2 1 165 35 35 VAL N N 122.016 0.2 1 166 36 36 MET H H 9.283 0.01 1 167 36 36 MET C C 178.927 0.2 1 168 36 36 MET CA C 59.333 0.2 1 169 36 36 MET CB C 31.345 0.2 1 170 36 36 MET N N 118.794 0.2 1 171 37 37 ARG H H 9.079 0.01 1 172 37 37 ARG C C 180.927 0.2 1 173 37 37 ARG CA C 58.67 0.2 1 174 37 37 ARG CB C 29.647 0.2 1 175 37 37 ARG N N 118.442 0.2 1 176 38 38 SER H H 8.284 0.01 1 177 38 38 SER C C 174.027 0.2 1 178 38 38 SER CA C 61.138 0.2 1 179 38 38 SER CB C 62.184 0.2 1 180 38 38 SER N N 119.365 0.2 1 181 39 39 LEU H H 7.73 0.01 1 182 39 39 LEU C C 176.227 0.2 1 183 39 39 LEU CA C 53.513 0.2 1 184 39 39 LEU CB C 40.196 0.2 1 185 39 39 LEU N N 120.08 0.2 1 186 40 40 GLY H H 7.975 0.01 1 187 40 40 GLY C C 173.927 0.2 1 188 40 40 GLY CA C 45.137 0.2 1 189 40 40 GLY N N 106.043 0.2 1 190 41 41 GLN H H 8.208 0.01 1 191 41 41 GLN C C 173.827 0.2 1 192 41 41 GLN CA C 53.973 0.2 1 193 41 41 GLN CB C 29.854 0.2 1 194 41 41 GLN N N 118.554 0.2 1 195 42 42 ASN H H 9.084 0.01 1 196 42 42 ASN CA C 50.957 0.2 1 197 42 42 ASN N N 116.539 0.2 1 198 43 43 PRO C C 177.489 0.2 1 199 44 44 THR H H 9.234 0.01 1 200 44 44 THR C C 174.827 0.2 1 201 44 44 THR CA C 60.058 0.2 1 202 44 44 THR CB C 70.613 0.2 1 203 44 44 THR N N 113.901 0.2 1 204 45 45 GLU H H 9.126 0.01 1 205 45 45 GLU C C 178.827 0.2 1 206 45 45 GLU CA C 59.613 0.2 1 207 45 45 GLU CB C 28.319 0.2 1 208 45 45 GLU N N 120.889 0.2 1 209 46 46 ALA H H 8.56 0.01 1 210 46 46 ALA C C 179.927 0.2 1 211 46 46 ALA CA C 54.602 0.2 1 212 46 46 ALA CB C 17.344 0.2 1 213 46 46 ALA N N 121.386 0.2 1 214 47 47 GLU H H 8.124 0.01 1 215 47 47 GLU CA C 58.86 0.2 1 216 47 47 GLU N N 119.286 0.2 1 217 49 49 GLN H H 9.008 0.01 1 218 49 49 GLN C C 178.727 0.2 1 219 49 49 GLN CA C 58.775 0.2 1 220 49 49 GLN CB C 27.712 0.2 1 221 49 49 GLN N N 119.754 0.2 1 222 50 50 ASP H H 8.802 0.01 1 223 50 50 ASP C C 179.227 0.2 1 224 50 50 ASP CA C 57.5 0.2 1 225 50 50 ASP CB C 39.809 0.2 1 226 50 50 ASP N N 120.84 0.2 1 227 51 51 MET H H 9.237 0.01 1 228 51 51 MET C C 181.027 0.2 1 229 51 51 MET CA C 60.55 0.2 1 230 51 51 MET CB C 34.763 0.2 1 231 51 51 MET N N 121.025 0.2 1 232 52 52 ILE H H 10.753 0.01 1 233 52 52 ILE C C 181.827 0.2 1 234 52 52 ILE CA C 68.968 0.2 1 235 52 52 ILE CB C 41.682 0.2 1 236 52 52 ILE N N 121.6 0.2 1 237 53 53 ASN H H 10.429 0.01 1 238 53 53 ASN C C 176.427 0.2 1 239 53 53 ASN CA C 55.352 0.2 1 240 53 53 ASN CB C 36.649 0.2 1 241 53 53 ASN N N 120.359 0.2 1 242 54 54 GLU H H 8.806 0.01 1 243 54 54 GLU CA C 58.218 0.2 1 244 54 54 GLU N N 117.641 0.2 1 245 69 69 LEU H H 6.93 0.01 1 246 69 69 LEU C C 176.927 0.2 1 247 69 69 LEU CA C 55.955 0.2 1 248 69 69 LEU CB C 39.198 0.2 1 249 69 69 LEU N N 118.481 0.2 1 250 70 70 THR H H 5.735 0.01 1 251 70 70 THR C C 174.627 0.2 1 252 70 70 THR CA C 64.781 0.2 1 253 70 70 THR CB C 65.801 0.2 1 254 70 70 THR N N 113.985 0.2 1 255 71 71 MET H H 6.556 0.01 1 256 71 71 MET C C 176.927 0.2 1 257 71 71 MET CA C 57.413 0.2 1 258 71 71 MET CB C 31.367 0.2 1 259 71 71 MET N N 120.331 0.2 1 260 72 72 MET H H 8.232 0.01 1 261 72 72 MET C C 178.027 0.2 1 262 72 72 MET CA C 55.618 0.2 1 263 72 72 MET CB C 30.867 0.2 1 264 72 72 MET N N 117.128 0.2 1 265 73 73 ALA H H 7.794 0.01 1 266 73 73 ALA C C 178.427 0.2 1 267 73 73 ALA CA C 53.592 0.2 1 268 73 73 ALA CB C 16.585 0.2 1 269 73 73 ALA N N 120.563 0.2 1 270 74 74 ARG H H 7.08 0.01 1 271 74 74 ARG C C 177.627 0.2 1 272 74 74 ARG CA C 57.573 0.2 1 273 74 74 ARG CB C 29.449 0.2 1 274 74 74 ARG N N 115.999 0.2 1 275 75 75 LYS H H 7.752 0.01 1 276 75 75 LYS C C 176.427 0.2 1 277 75 75 LYS CA C 55.405 0.2 1 278 75 75 LYS CB C 31.805 0.2 1 279 75 75 LYS N N 116.416 0.2 1 280 76 76 MET H H 7.479 0.01 1 281 76 76 MET C C 175.427 0.2 1 282 76 76 MET CA C 55.978 0.2 1 283 76 76 MET CB C 31.519 0.2 1 284 76 76 MET N N 117.636 0.2 1 285 77 77 LYS H H 7.52 0.01 1 286 77 77 LYS CA C 56.007 0.2 1 287 77 77 LYS N N 119.881 0.2 1 288 79 79 THR H H 7.723 0.01 1 289 79 79 THR C C 172.927 0.2 1 290 79 79 THR CA C 61.169 0.2 1 291 79 79 THR CB C 69.483 0.2 1 292 79 79 THR N N 113.498 0.2 1 293 80 80 ASP H H 8.523 0.01 1 294 80 80 ASP C C 175.327 0.2 1 295 80 80 ASP CA C 52.926 0.2 1 296 80 80 ASP CB C 40.949 0.2 1 297 80 80 ASP N N 124.019 0.2 1 298 81 81 SER H H 8.79 0.01 1 299 81 81 SER C C 174.827 0.2 1 300 81 81 SER CA C 58.885 0.2 1 301 81 81 SER CB C 63.235 0.2 1 302 81 81 SER N N 119.752 0.2 1 303 82 82 GLU H H 8.536 0.01 1 304 82 82 GLU C C 178.027 0.2 1 305 82 82 GLU CA C 58.944 0.2 1 306 82 82 GLU CB C 28.421 0.2 1 307 82 82 GLU N N 122.188 0.2 1 308 83 83 GLU H H 8.217 0.01 1 309 83 83 GLU C C 178.127 0.2 1 310 83 83 GLU CA C 58.519 0.2 1 311 83 83 GLU CB C 28.367 0.2 1 312 83 83 GLU N N 119.603 0.2 1 313 84 84 GLU H H 7.998 0.01 1 314 84 84 GLU C C 179.527 0.2 1 315 84 84 GLU CA C 59.01 0.2 1 316 84 84 GLU CB C 28.52 0.2 1 317 84 84 GLU N N 118.453 0.2 1 318 85 85 ILE H H 8.175 0.01 1 319 85 85 ILE C C 175.727 0.2 1 320 85 85 ILE CA C 65.01 0.2 1 321 85 85 ILE CB C 36.341 0.2 1 322 85 85 ILE N N 121.833 0.2 1 323 86 86 ARG H H 8.313 0.01 1 324 86 86 ARG C C 177.527 0.2 1 325 86 86 ARG CA C 59.492 0.2 1 326 86 86 ARG CB C 29.034 0.2 1 327 86 86 ARG N N 121.861 0.2 1 328 87 87 GLU H H 8.403 0.01 1 329 87 87 GLU C C 178.827 0.2 1 330 87 87 GLU CA C 58.154 0.2 1 331 87 87 GLU CB C 28.288 0.2 1 332 87 87 GLU N N 117.999 0.2 1 333 88 88 ALA H H 8.279 0.01 1 334 88 88 ALA C C 178.727 0.2 1 335 88 88 ALA CA C 54.841 0.2 1 336 88 88 ALA CB C 17.643 0.2 1 337 88 88 ALA N N 122.537 0.2 1 338 89 89 PHE H H 8.667 0.01 1 339 89 89 PHE C C 176.227 0.2 1 340 89 89 PHE CA C 61.705 0.2 1 341 89 89 PHE CB C 38.171 0.2 1 342 89 89 PHE N N 119.32 0.2 1 343 90 90 ARG H H 7.707 0.01 1 344 90 90 ARG C C 176.927 0.2 1 345 90 90 ARG CA C 58.165 0.2 1 346 90 90 ARG CB C 29.432 0.2 1 347 90 90 ARG N N 115.611 0.2 1 348 91 91 VAL H H 7.427 0.01 1 349 91 91 VAL C C 176.127 0.2 1 350 91 91 VAL CA C 65.039 0.2 1 351 91 91 VAL CB C 30.716 0.2 1 352 91 91 VAL N N 117.967 0.2 1 353 92 92 PHE H H 7.077 0.01 1 354 92 92 PHE C C 176.027 0.2 1 355 92 92 PHE CA C 60.027 0.2 1 356 92 92 PHE CB C 40.598 0.2 1 357 92 92 PHE N N 113.871 0.2 1 358 93 93 ASP H H 7.945 0.01 1 359 93 93 ASP C C 176.927 0.2 1 360 93 93 ASP CA C 51.474 0.2 1 361 93 93 ASP CB C 37.818 0.2 1 362 93 93 ASP N N 116.383 0.2 1 363 94 94 LYS H H 7.823 0.01 1 364 94 94 LYS C C 177.627 0.2 1 365 94 94 LYS CA C 58.155 0.2 1 366 94 94 LYS CB C 31.582 0.2 1 367 94 94 LYS N N 125.659 0.2 1 368 95 95 ASP H H 8.228 0.01 1 369 95 95 ASP C C 177.027 0.2 1 370 95 95 ASP CA C 52.179 0.2 1 371 95 95 ASP CB C 38.764 0.2 1 372 95 95 ASP N N 114.128 0.2 1 373 96 96 GLY H H 7.822 0.01 1 374 96 96 GLY C C 174.427 0.2 1 375 96 96 GLY CA C 46.238 0.2 1 376 96 96 GLY N N 109.174 0.2 1 377 97 97 ASN H H 8.354 0.01 1 378 97 97 ASN C C 175.327 0.2 1 379 97 97 ASN CA C 51.726 0.2 1 380 97 97 ASN CB C 37.122 0.2 1 381 97 97 ASN N N 119.789 0.2 1 382 98 98 GLY H H 10.685 0.01 1 383 98 98 GLY C C 172.127 0.2 1 384 98 98 GLY CA C 44.077 0.2 1 385 98 98 GLY N N 112.854 0.2 1 386 99 99 TYR H H 7.688 0.01 1 387 99 99 TYR C C 173.927 0.2 1 388 99 99 TYR CA C 55.364 0.2 1 389 99 99 TYR CB C 41.846 0.2 1 390 99 99 TYR N N 116.442 0.2 1 391 100 100 ILE H H 10.148 0.01 1 392 100 100 ILE C C 174.627 0.2 1 393 100 100 ILE CA C 60.542 0.2 1 394 100 100 ILE CB C 38.4 0.2 1 395 100 100 ILE N N 127.346 0.2 1 396 101 101 SER H H 8.981 0.01 1 397 101 101 SER C C 174.427 0.2 1 398 101 101 SER CA C 54.898 0.2 1 399 101 101 SER CB C 66.143 0.2 1 400 101 101 SER N N 123.955 0.2 1 401 102 102 ALA H H 9.243 0.01 1 402 102 102 ALA C C 178.927 0.2 1 403 102 102 ALA CA C 55.057 0.2 1 404 102 102 ALA CB C 16.975 0.2 1 405 102 102 ALA N N 123.093 0.2 1 406 103 103 ALA H H 8.208 0.01 1 407 103 103 ALA C C 180.827 0.2 1 408 103 103 ALA CA C 54.325 0.2 1 409 103 103 ALA CB C 17.321 0.2 1 410 103 103 ALA N N 118.796 0.2 1 411 104 104 GLU H H 7.923 0.01 1 412 104 104 GLU C C 178.627 0.2 1 413 104 104 GLU CA C 58.693 0.2 1 414 104 104 GLU CB C 28.089 0.2 1 415 104 104 GLU N N 120.847 0.2 1 416 105 105 LEU H H 8.495 0.01 1 417 105 105 LEU C C 177.527 0.2 1 418 105 105 LEU CA C 58.117 0.2 1 419 105 105 LEU CB C 40.931 0.2 1 420 105 105 LEU N N 121.063 0.2 1 421 106 106 ARG H H 8.717 0.01 1 422 106 106 ARG CA C 59.27 0.2 1 423 106 106 ARG N N 117.978 0.2 1 424 108 108 VAL H H 8.004 0.01 1 425 108 108 VAL C C 177.627 0.2 1 426 108 108 VAL CA C 66.028 0.2 1 427 108 108 VAL CB C 30.626 0.2 1 428 108 108 VAL N N 118.942 0.2 1 429 109 109 MET H H 8.432 0.01 1 430 109 109 MET C C 178.727 0.2 1 431 109 109 MET CA C 56.539 0.2 1 432 109 109 MET CB C 28.724 0.2 1 433 109 109 MET N N 115.482 0.2 1 434 110 110 THR H H 8.344 0.01 1 435 110 110 THR C C 177.727 0.2 1 436 110 110 THR CA C 65.977 0.2 1 437 110 110 THR CB C 67.72 0.2 1 438 110 110 THR N N 116.491 0.2 1 439 111 111 ASN H H 7.78 0.01 1 440 111 111 ASN C C 175.827 0.2 1 441 111 111 ASN CA C 55.007 0.2 1 442 111 111 ASN CB C 36.858 0.2 1 443 111 111 ASN N N 123.358 0.2 1 444 112 112 LEU H H 7.869 0.01 1 445 112 112 LEU C C 175.827 0.2 1 446 112 112 LEU CA C 54.363 0.2 1 447 112 112 LEU CB C 41.181 0.2 1 448 112 112 LEU N N 119.262 0.2 1 449 113 113 GLY H H 7.766 0.01 1 450 113 113 GLY C C 173.627 0.2 1 451 113 113 GLY CA C 44.4 0.2 1 452 113 113 GLY N N 105.94 0.2 1 453 114 114 GLU H H 8.027 0.01 1 454 114 114 GLU C C 174.327 0.2 1 455 114 114 GLU CA C 54.117 0.2 1 456 114 114 GLU CB C 29.685 0.2 1 457 114 114 GLU N N 120.382 0.2 1 458 115 115 LYS H H 8.593 0.01 1 459 115 115 LYS C C 174.627 0.2 1 460 115 115 LYS CA C 54.424 0.2 1 461 115 115 LYS CB C 30.837 0.2 1 462 115 115 LYS N N 125.576 0.2 1 463 116 116 LEU H H 8.031 0.01 1 464 116 116 LEU C C 177.527 0.2 1 465 116 116 LEU CA C 53.053 0.2 1 466 116 116 LEU CB C 43.919 0.2 1 467 116 116 LEU N N 124.734 0.2 1 468 117 117 THR H H 9.241 0.01 1 469 117 117 THR C C 174.727 0.2 1 470 117 117 THR CA C 59.801 0.2 1 471 117 117 THR CB C 70.452 0.2 1 472 117 117 THR N N 114.87 0.2 1 473 118 118 ASP H H 8.887 0.01 1 474 118 118 ASP C C 177.827 0.2 1 475 118 118 ASP CA C 57.259 0.2 1 476 118 118 ASP CB C 38.584 0.2 1 477 118 118 ASP N N 121.141 0.2 1 478 119 119 GLU H H 8.597 0.01 1 479 119 119 GLU C C 178.427 0.2 1 480 119 119 GLU CA C 59.159 0.2 1 481 119 119 GLU CB C 28.16 0.2 1 482 119 119 GLU N N 119.331 0.2 1 483 120 120 GLU H H 7.679 0.01 1 484 120 120 GLU C C 178.927 0.2 1 485 120 120 GLU CA C 58.538 0.2 1 486 120 120 GLU CB C 29.776 0.2 1 487 120 120 GLU N N 120.431 0.2 1 488 121 121 VAL H H 8.019 0.01 1 489 121 121 VAL C C 176.527 0.2 1 490 121 121 VAL CA C 66.201 0.2 1 491 121 121 VAL CB C 30.482 0.2 1 492 121 121 VAL N N 120.562 0.2 1 493 122 122 ASP H H 7.833 0.01 1 494 122 122 ASP C C 178.727 0.2 1 495 122 122 ASP CA C 56.761 0.2 1 496 122 122 ASP CB C 39.68 0.2 1 497 122 122 ASP N N 119.22 0.2 1 498 123 123 GLU H H 8.018 0.01 1 499 123 123 GLU C C 177.727 0.2 1 500 123 123 GLU CA C 58.539 0.2 1 501 123 123 GLU CB C 28.709 0.2 1 502 123 123 GLU N N 119.598 0.2 1 503 124 124 MET H H 7.782 0.01 1 504 124 124 MET C C 178.227 0.2 1 505 124 124 MET CA C 59.304 0.2 1 506 124 124 MET CB C 28.592 0.2 1 507 124 124 MET N N 119.871 0.2 1 508 125 125 ILE H H 8.031 0.01 1 509 125 125 ILE C C 178.427 0.2 1 510 125 125 ILE CA C 62.447 0.2 1 511 125 125 ILE CB C 34.855 0.2 1 512 125 125 ILE N N 119.54 0.2 1 513 126 126 ARG H H 8.249 0.01 1 514 126 126 ARG C C 177.627 0.2 1 515 126 126 ARG CA C 58.897 0.2 1 516 126 126 ARG CB C 29.814 0.2 1 517 126 126 ARG N N 118.24 0.2 1 518 127 127 GLU H H 7.919 0.01 1 519 127 127 GLU C C 176.327 0.2 1 520 127 127 GLU CA C 58.206 0.2 1 521 127 127 GLU CB C 29.136 0.2 1 522 127 127 GLU N N 117.262 0.2 1 523 128 128 ALA H H 7.205 0.01 1 524 128 128 ALA C C 176.727 0.2 1 525 128 128 ALA CA C 50.445 0.2 1 526 128 128 ALA CB C 21.324 0.2 1 527 128 128 ALA N N 117.335 0.2 1 528 129 129 ASP H H 8.004 0.01 1 529 129 129 ASP C C 175.027 0.2 1 530 129 129 ASP CA C 53.636 0.2 1 531 129 129 ASP CB C 39.874 0.2 1 532 129 129 ASP N N 118.339 0.2 1 533 130 130 ILE H H 8.197 0.01 1 534 130 130 ILE C C 177.027 0.2 1 535 130 130 ILE CA C 62.585 0.2 1 536 130 130 ILE CB C 37.635 0.2 1 537 130 130 ILE N N 128.134 0.2 1 538 131 131 ASP H H 8.279 0.01 1 539 131 131 ASP C C 177.427 0.2 1 540 131 131 ASP CA C 53.086 0.2 1 541 131 131 ASP CB C 38.896 0.2 1 542 131 131 ASP N N 116.628 0.2 1 543 132 132 GLY H H 7.617 0.01 1 544 132 132 GLY C C 174.427 0.2 1 545 132 132 GLY CA C 46.493 0.2 1 546 132 132 GLY N N 108.709 0.2 1 547 133 133 ASP H H 8.308 0.01 1 548 133 133 ASP C C 176.727 0.2 1 549 133 133 ASP CA C 52.841 0.2 1 550 133 133 ASP CB C 39.07 0.2 1 551 133 133 ASP N N 120.692 0.2 1 552 134 134 GLY H H 10.138 0.01 1 553 134 134 GLY C C 171.927 0.2 1 554 134 134 GLY CA C 45.011 0.2 1 555 134 134 GLY N N 112.581 0.2 1 556 135 135 GLN H H 7.934 0.01 1 557 135 135 GLN C C 174.327 0.2 1 558 135 135 GLN CA C 52.355 0.2 1 559 135 135 GLN CB C 31.56 0.2 1 560 135 135 GLN N N 115.285 0.2 1 561 136 136 VAL H H 9.093 0.01 1 562 136 136 VAL C C 175.027 0.2 1 563 136 136 VAL CA C 60.841 0.2 1 564 136 136 VAL CB C 33.207 0.2 1 565 136 136 VAL N N 125.564 0.2 1 566 137 137 ASN H H 9.408 0.01 1 567 137 137 ASN C C 174.027 0.2 1 568 137 137 ASN CA C 50.172 0.2 1 569 137 137 ASN CB C 37.607 0.2 1 570 137 137 ASN N N 129.089 0.2 1 571 138 138 TYR H H 8.346 0.01 1 572 138 138 TYR C C 175.327 0.2 1 573 138 138 TYR CA C 61.586 0.2 1 574 138 138 TYR CB C 36.631 0.2 1 575 138 138 TYR N N 118.769 0.2 1 576 139 139 GLU H H 8.056 0.01 1 577 139 139 GLU C C 179.527 0.2 1 578 139 139 GLU CA C 59.441 0.2 1 579 139 139 GLU CB C 27.94 0.2 1 580 139 139 GLU N N 118.607 0.2 1 581 140 140 GLU H H 8.696 0.01 1 582 140 140 GLU C C 178.527 0.2 1 583 140 140 GLU CA C 57.96 0.2 1 584 140 140 GLU CB C 28.25 0.2 1 585 140 140 GLU N N 120.066 0.2 1 586 141 141 PHE H H 8.521 0.01 1 587 141 141 PHE C C 176.027 0.2 1 588 141 141 PHE CA C 61.1 0.2 1 589 141 141 PHE CB C 39.514 0.2 1 590 141 141 PHE N N 124.534 0.2 1 591 142 142 VAL H H 8.654 0.01 1 592 142 142 VAL C C 176.527 0.2 1 593 142 142 VAL CA C 66.193 0.2 1 594 142 142 VAL CB C 30.418 0.2 1 595 142 142 VAL N N 118.987 0.2 1 596 143 143 GLN H H 7.832 0.01 1 597 143 143 GLN C C 177.327 0.2 1 598 143 143 GLN CA C 58.207 0.2 1 599 143 143 GLN CB C 26.865 0.2 1 600 143 143 GLN N N 119.368 0.2 1 601 144 144 MET H H 7.505 0.01 1 602 144 144 MET C C 177.227 0.2 1 603 144 144 MET CA C 56.977 0.2 1 604 144 144 MET CB C 29.103 0.2 1 605 144 144 MET N N 118.439 0.2 1 606 145 145 MET H H 7.487 0.01 1 607 145 145 MET C C 177.227 0.2 1 608 145 145 MET CA C 54.042 0.2 1 609 145 145 MET CB C 29.747 0.2 1 610 145 145 MET N N 114.855 0.2 1 611 146 146 THR H H 7.682 0.01 1 612 146 146 THR C C 173.627 0.2 1 613 146 146 THR CA C 61.235 0.2 1 614 146 146 THR CB C 69.604 0.2 1 615 146 146 THR N N 109.894 0.2 1 616 147 147 ALA H H 7.439 0.01 1 617 147 147 ALA C C 176.027 0.2 1 618 147 147 ALA CA C 52.043 0.2 1 619 147 147 ALA CB C 18.089 0.2 1 620 147 147 ALA N N 126.765 0.2 1 621 148 148 LYS H H 8.013 0.01 1 622 148 148 LYS CA C 57.009 0.2 1 623 148 148 LYS N N 126.719 0.2 1 stop_ save_ save_3CaYbCaM_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 . 3 GLN . 3 GLN . -1.773 $TOPSPIN ? ? . . . 4 LEU . 4 LEU . 0.922 $CARA ? ? . . . 5 THR . 5 THR . 4.753 $CARA ? ? . . . 6 GLU . 6 GLU . -1.773 $CARA ? ? . . . 7 GLU . 7 GLU . -1.986 $CARA ? ? . . . 8 GLN . 8 GLN . 1.560 $CARA ? ? . . . 9 ILE . 9 ILE . -0.283 $CARA ? ? . . . 10 ALA . 10 ALA . -4.966 $CARA ? ? . . . 11 GLU . 11 GLU . -1.915 $CARA ? ? . . . 13 LYS . 13 LYS . -3.405 $CARA ? ? . . . 15 ALA . 15 ALA . -2.483 $CARA ? ? . . . 16 PHE . 16 PHE . -1.702 $CARA ? ? . . . 17 SER . 17 SER . -4.469 $CARA ? ? . . . 18 LEU . 18 LEU . -3.192 $CARA ? ? . . . 19 PHE . 19 PHE . -1.560 $CARA ? ? . . . 20 ASP . 20 ASP . -3.121 $CARA ? ? . . . 21 LYS . 21 LYS . -2.979 $CARA ? ? . . . 22 ASP . 22 ASP . -4.044 $CARA ? ? . . . 23 GLY . 23 GLY . 1.277 $CARA ? ? . . . 24 ASP . 24 ASP . 3.476 $CARA ? ? . . . 25 GLY . 25 GLY . 6.953 $CARA ? ? . . . 26 THR . 26 THR . -1.702 $CARA ? ? . . . 28 THR . 28 THR . -2.696 $CARA ? ? . . . 29 THR . 29 THR . 1.489 $CARA ? ? . . . 30 LYS . 30 LYS . 5.605 $CARA ? ? . . . 31 GLU . 31 GLU . 7.449 $CARA ? ? . . . 32 LEU . 32 LEU . 1.986 $CARA ? ? . . . 33 GLY . 33 GLY . 0.496 $CARA ? ? . . . 34 THR . 34 THR . 6.456 $CARA ? ? . . . 36 MET . 36 MET . 5.179 $CARA ? ? . . . 37 ARG . 37 ARG . 2.838 $CARA ? ? . . . 38 SER . 38 SER . 4.327 $CARA ? ? . . . 39 LEU . 39 LEU . 0.993 $CARA ? ? . . . 40 GLY . 40 GLY . -2.341 $CARA ? ? . . . 42 ASN . 42 ASN . -3.334 $CARA ? ? . . . 44 THR . 44 THR . -4.540 $CARA ? ? . . . 45 GLU . 45 GLU . -0.070 $CARA ? ? . . . 46 ALA . 46 ALA . 2.838 $CARA ? ? . . . 47 GLU . 47 GLU . 3.476 $CARA ? ? . . . 49 GLN . 49 GLN . 1.702 $CARA ? ? . . . 50 ASP . 50 ASP . 4.895 $CARA ? ? . . . 51 MET . 51 MET . 2.270 $CARA ? ? . . . 52 ILE . 52 ILE . -1.489 $CARA ? ? . . . 53 ASN . 53 ASN . 3.405 $CARA ? ? . . . 54 GLU . 54 GLU . 6.172 $CARA ? ? . . . 69 LEU . 69 LEU . 0.638 $CARA ? ? . . . 70 THR . 70 THR . 0.780 $CARA ? ? . . . 71 MET . 71 MET . -1.489 $CARA ? ? . . . 73 ALA . 73 ALA . 2.128 $CARA ? ? . . . 74 ARG . 74 ARG . -0.425 $CARA ? ? . . . 75 LYS . 75 LYS . -1.277 $CARA ? ? . . . 76 MET . 76 MET . 3.902 $CARA ? ? . . . 77 LYS . 77 LYS . 0.141 $CARA ? ? . . . 79 THR . 79 THR . -1.277 $CARA ? ? . . . 82 GLU . 82 GLU . -1.560 $CARA ? ? . . . 83 GLU . 83 GLU . 0.780 $CARA ? ? . . . 84 GLU . 84 GLU . 0.141 $CARA ? ? . . . 85 ILE . 85 ILE . -1.560 $CARA ? ? . . . 87 GLU . 87 GLU . -0.354 $CARA ? ? . . . 88 ALA . 88 ALA . -0.993 $CARA ? ? . . . 89 PHE . 89 PHE . -1.489 $CARA ? ? . . . 90 ARG . 90 ARG . 0.354 $CARA ? ? . . . 91 VAL . 91 VAL . -0.496 $CARA ? ? . . . 93 ASP . 93 ASP . 0.283 $CARA ? ? . . . 94 LYS . 94 LYS . -2.838 $CARA ? ? . . . 95 ASP . 95 ASP . -4.611 $CARA ? ? . . . 96 GLY . 96 GLY . 2.554 $CARA ? ? . . . 97 ASN . 97 ASN . -0.141 $CARA ? ? . . . 98 GLY . 98 GLY . 1.348 $CARA ? ? . . . 99 TYR . 99 TYR . -2.625 $CARA ? ? . . . 100 ILE . 100 ILE . -2.625 $CARA ? ? . . . 101 SER . 101 SER . -3.476 $CARA ? ? . . . 102 ALA . 102 ALA . 3.760 $CARA ? ? . . . 104 GLU . 104 GLU . 4.327 $CARA ? ? . . . 105 LEU . 105 LEU . 3.547 $CARA ? ? . . . 106 ARG . 106 ARG . 5.888 $CARA ? ? . . . 108 VAL . 108 VAL . 2.908 $CARA ? ? . . . 109 MET . 109 MET . 5.179 $CARA ? ? . . . 110 THR . 110 THR . 5.605 $CARA ? ? . . . 111 ASN . 111 ASN . 4.540 $CARA ? ? . . . 113 GLY . 113 GLY . 2.270 $CARA ? ? . . . 114 GLU . 114 GLU . 1.560 $CARA ? ? . . . 115 LYS . 115 LYS . 2.483 $CARA ? ? . . . 116 LEU . 116 LEU . -3.263 $CARA ? ? . . . 117 THR . 117 THR . -0.780 $CARA ? ? . . . 118 ASP . 118 ASP . -3.192 $CARA ? ? . . . 119 GLU . 119 GLU . -0.425 $CARA ? ? . . . 121 VAL . 121 VAL . -4.186 $CARA ? ? . . . 124 MET . 124 MET . -2.767 $CARA ? ? . . . 126 ARG . 126 ARG . -1.277 $CARA ? ? . . . 127 GLU . 127 GLU . -2.270 $CARA ? ? . . . 128 ALA . 128 ALA . -2.979 $CARA ? ? . . . 129 ASP . 129 ASP . -0.496 $CARA ? ? . . . 130 ILE . 130 ILE . -2.908 $CARA ? ? . . . 131 ASP . 131 ASP . -3.050 $CARA ? ? . . . 132 GLY . 132 GLY . 2.341 $CARA ? ? . . . 133 ASP . 133 ASP . 1.986 $CARA ? ? . . . 134 GLY . 134 GLY . -0.993 $CARA ? ? . . . 135 GLN . 135 GLN . -0.709 $CARA ? ? . . . 136 VAL . 136 VAL . -2.625 $CARA ? ? . . . 137 ASN . 137 ASN . -2.767 $CARA ? ? . . . 138 TYR . 138 TYR . 0.141 $CARA ? ? . . . 139 GLU . 139 GLU . 5.463 $CARA ? ? . . . 140 GLU . 140 GLU . 2.341 $CARA ? ? . . . 141 PHE . 141 PHE . 2.483 $CARA ? ? . . . 142 VAL . 142 VAL . 4.398 $CARA ? ? . . . 146 THR . 146 THR . 4.115 $CARA ? ? . . . 147 ALA . 147 ALA . 0.425 $CARA ? ? . . . 148 LYS . 148 LYS . 0.283 $CARA ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700.13 _Text_data_format . _Text_data . save_