data_15852 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CaM complexed to DAPk peptide ; _BMRB_accession_number 15852 _BMRB_flat_file_name bmr15852.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 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 "13C chemical shifts" 416 "15N chemical shifts" 144 "T1 relaxation values" 136 "T2 relaxation values" 136 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 7423 '3CaYb 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 'CALCIUM ION, 4' $CA 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 2015-10-07 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 15184 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 15185 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 15186 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 15187 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 15188 calmodulin 100.00 148 98.65 100.00 7.32e-99 BMRB 15191 Calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 15470 calmodulin 100.00 148 98.65 100.00 1.16e-98 BMRB 15624 Calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 15650 calmodulin 100.00 148 100.00 100.00 9.92e-100 BMRB 16418 apoCaM 100.00 148 99.32 100.00 3.16e-99 BMRB 16465 entity_1 100.00 148 99.32 100.00 3.16e-99 BMRB 16764 CALMODULIN 100.00 150 99.32 100.00 3.38e-99 BMRB 17264 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 17360 entity_1 100.00 148 99.32 100.00 3.16e-99 BMRB 17771 Calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 17807 Calmodulin 99.32 147 99.32 100.00 1.50e-98 BMRB 18027 CaM 100.00 148 99.32 100.00 3.16e-99 BMRB 18028 CaM 100.00 148 99.32 100.00 3.16e-99 BMRB 18556 Calmodulin 100.00 148 97.97 99.32 1.65e-97 BMRB 19036 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 19238 Calmodulin_prototypical_calcium_sensor 100.00 148 99.32 100.00 3.16e-99 BMRB 19586 entity_1 100.00 148 99.32 100.00 3.16e-99 BMRB 19604 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 25253 CaM 100.00 148 97.97 99.32 1.08e-96 BMRB 25257 CaM 100.00 148 97.97 99.32 1.08e-96 BMRB 26503 Calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 26626 CaM 100.00 148 99.32 100.00 3.16e-99 BMRB 26627 CaM 100.00 148 99.32 100.00 3.16e-99 BMRB 4056 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 4270 calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 4284 Calmodulin 100.00 148 99.32 100.00 3.16e-99 BMRB 4310 calmodulin 100.00 148 99.32 100.00 3.16e-99 PDB 1A29 "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" 100.00 148 99.32 100.00 3.16e-99 PDB 1CFC "Calcium-Free Calmodulin" 100.00 148 99.32 100.00 3.16e-99 PDB 1CFD "Calcium-Free Calmodulin" 100.00 148 99.32 100.00 3.16e-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 3.16e-99 PDB 1CKK "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" 100.00 148 99.32 100.00 3.16e-99 PDB 1CLL "Calmodulin Structure Refined At 1.7 Angstroms Resolution" 100.00 148 99.32 100.00 3.16e-99 PDB 1CM1 "Motions Of Calmodulin-Single-Conformer Refinement" 100.00 148 99.32 100.00 3.16e-99 PDB 1CM4 "Motions Of Calmodulin-four-conformer Refinement" 100.00 148 99.32 100.00 3.16e-99 PDB 1CTR "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" 100.00 148 99.32 100.00 3.16e-99 PDB 1DMO "Calmodulin, Nmr, 30 Structures" 100.00 148 98.65 100.00 1.16e-98 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 3.16e-99 PDB 1IQ5 "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" 100.00 149 99.32 100.00 3.68e-99 PDB 1IWQ "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" 100.00 148 99.32 100.00 3.16e-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 3.16e-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 3.35e-96 PDB 1L7Z "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" 100.00 148 99.32 100.00 3.16e-99 PDB 1LIN "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" 100.00 148 99.32 100.00 3.16e-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 3.68e-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 3.16e-99 PDB 1MXE "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" 100.00 148 97.30 99.32 4.55e-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 3.16e-99 PDB 1OOJ "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" 100.00 149 97.30 98.65 1.11e-96 PDB 1PRW "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" 100.00 149 98.65 99.32 2.63e-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 3.16e-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 3.16e-99 PDB 1QX5 "Crystal Structure Of Apocalmodulin" 100.00 148 99.32 100.00 3.16e-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 3.16e-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 3.16e-99 PDB 1SY9 "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" 100.00 148 99.32 100.00 3.16e-99 PDB 1UP5 "Chicken Calmodulin" 100.00 148 98.65 99.32 2.54e-98 PDB 1WRZ "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" 100.00 149 99.32 100.00 3.68e-99 PDB 1X02 "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" 100.00 148 99.32 100.00 3.16e-99 PDB 1XA5 "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" 100.00 148 99.32 100.00 3.16e-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 8.73e-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 8.73e-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 8.73e-99 PDB 1XFY "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 100.00 149 98.65 100.00 8.73e-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 8.73e-99 PDB 1Y0V "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" 97.30 146 99.31 100.00 2.75e-96 PDB 1YR5 "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" 100.00 148 99.32 100.00 3.16e-99 PDB 2BBM "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.30 99.32 4.55e-97 PDB 2BBN "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.30 99.32 4.55e-97 PDB 2BCX "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" 100.00 148 99.32 100.00 3.16e-99 PDB 2BKH "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" 100.00 149 97.30 99.32 4.86e-97 PDB 2BKI "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" 100.00 149 99.32 100.00 3.68e-99 PDB 2DFS "3-D Structure Of Myosin-V Inhibited State" 100.00 148 99.32 100.00 3.16e-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 5.37e-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 5.37e-99 PDB 2F3Y "CalmodulinIQ DOMAIN COMPLEX" 100.00 148 99.32 100.00 3.16e-99 PDB 2F3Z "CalmodulinIQ-Aa Domain Complex" 100.00 148 99.32 100.00 3.16e-99 PDB 2FOT "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" 100.00 148 99.32 100.00 3.16e-99 PDB 2HQW "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" 100.00 148 99.32 100.00 3.16e-99 PDB 2JZI "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" 100.00 148 99.32 100.00 3.16e-99 PDB 2K0E "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" 100.00 148 99.32 100.00 3.16e-99 PDB 2K0F "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" 100.00 148 99.32 100.00 3.16e-99 PDB 2K0J "Solution Structure Of Cam Complexed To Drp1p" 100.00 148 100.00 100.00 9.92e-100 PDB 2K61 "Solution Structure Of Cam Complexed To Dapk Peptide" 100.00 148 100.00 100.00 9.92e-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 3.16e-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 3.16e-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 3.16e-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 3.16e-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 8.17e-98 PDB 2LL6 "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" 100.00 148 99.32 100.00 3.16e-99 PDB 2LL7 "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" 100.00 148 99.32 100.00 3.16e-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 1.65e-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 3.16e-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 3.16e-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 3.16e-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 3.16e-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 3.16e-99 PDB 2O5G "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" 100.00 148 99.32 100.00 3.16e-99 PDB 2O60 "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" 100.00 148 99.32 100.00 3.16e-99 PDB 2R28 "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" 100.00 149 99.32 100.00 3.68e-99 PDB 2V01 "Recombinant Vertebrate Calmodulin Complexed With Pb" 100.00 149 99.32 100.00 3.68e-99 PDB 2V02 "Recombinant Vertebrate Calmodulin Complexed With Ba" 100.00 149 99.32 100.00 3.68e-99 PDB 2VAS "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" 100.00 149 97.30 99.32 4.86e-97 PDB 2VAY "Calmodulin Complexed With Cav1.1 Iq Peptide" 98.65 146 99.32 100.00 8.17e-98 PDB 2W73 "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" 100.00 149 99.32 100.00 3.68e-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 3.89e-99 PDB 2X0G "X-ray Structure Of A Dap-kinase Calmodulin Complex" 100.00 148 99.32 100.00 3.16e-99 PDB 2X51 "M6 Delta Insert1" 100.00 149 97.30 99.32 4.86e-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 3.68e-99 PDB 2YGG "Complex Of Cambr And Cam" 100.00 150 99.32 100.00 4.20e-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 3.16e-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 3.16e-99 PDB 3BYA "Structure Of A Calmodulin Complex" 100.00 148 99.32 100.00 3.16e-99 PDB 3CLN "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" 100.00 148 98.65 100.00 1.16e-98 PDB 3DVE "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" 100.00 148 99.32 100.00 3.16e-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 3.16e-99 PDB 3DVK "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" 100.00 148 99.32 100.00 3.16e-99 PDB 3DVM "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" 100.00 148 99.32 100.00 3.16e-99 PDB 3EK4 "Calcium-saturated Gcamp2 Monomer" 99.32 449 99.32 100.00 5.67e-95 PDB 3EK7 "Calcium-Saturated Gcamp2 Dimer" 99.32 449 99.32 100.00 5.67e-95 PDB 3EK8 "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" 99.32 449 99.32 100.00 6.67e-95 PDB 3EKH "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" 99.32 449 98.64 99.32 5.73e-94 PDB 3EVU "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" 99.32 449 99.32 100.00 5.67e-95 PDB 3EVV "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" 99.32 449 99.32 100.00 5.67e-95 PDB 3EWT "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 99.32 100.00 1.72e-99 PDB 3EWV "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 99.32 100.00 1.72e-99 PDB 3G43 "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" 100.00 148 99.32 100.00 3.16e-99 PDB 3GN4 "Myosin Lever Arm" 100.00 149 97.30 99.32 4.86e-97 PDB 3GOF "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" 100.00 148 99.32 100.00 3.16e-99 PDB 3HR4 "Human Inos Reductase And Calmodulin Complex" 100.00 149 99.32 100.00 3.68e-99 PDB 3IF7 "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" 100.00 148 99.32 100.00 3.16e-99 PDB 3J41 "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" 100.00 149 99.32 100.00 3.68e-99 PDB 3L9I "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" 100.00 149 97.30 99.32 4.86e-97 PDB 3O77 "The Structure Of Ca2+ Sensor (Case-16)" 99.32 415 99.32 100.00 2.94e-95 PDB 3O78 "The Structure Of Ca2+ Sensor (Case-12)" 99.32 415 99.32 100.00 2.94e-95 PDB 3OXQ "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" 100.00 149 99.32 100.00 3.68e-99 PDB 3SG2 "Crystal Structure Of Gcamp2-t116v,d381y" 99.32 449 98.64 99.32 9.31e-94 PDB 3SG3 "Crystal Structure Of Gcamp3-d380y" 99.32 449 99.32 99.32 2.81e-94 PDB 3SG4 "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" 100.00 448 98.65 98.65 2.35e-94 PDB 3SG5 "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" 100.00 448 98.65 98.65 1.75e-94 PDB 3SG6 "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" 99.32 450 99.32 100.00 5.71e-95 PDB 3SG7 "Crystal Structure Of Gcamp3-kf(linker 1)" 99.32 448 100.00 100.00 1.91e-95 PDB 3SJQ "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" 100.00 149 99.32 100.00 3.68e-99 PDB 3SUI "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" 100.00 149 99.32 100.00 3.68e-99 PDB 3U0K "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" 99.32 440 99.32 99.32 5.39e-95 PDB 3WFN "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" 100.00 182 99.32 100.00 4.33e-99 PDB 4ANJ "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" 100.00 149 97.30 99.32 4.86e-97 PDB 4BW7 "Calmodulin In Complex With Strontium" 100.00 149 99.32 100.00 3.68e-99 PDB 4BW8 "Calmodulin With Small Bend In Central Helix" 100.00 149 99.32 100.00 3.68e-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 3.68e-99 PDB 4CLN "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" 100.00 148 97.30 99.32 4.55e-97 PDB 4DBP "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" 100.00 149 97.30 99.32 4.86e-97 PDB 4DBQ "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" 100.00 149 97.30 99.32 4.86e-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 3.68e-99 PDB 4DJC "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" 100.00 152 99.32 100.00 2.05e-99 PDB 4E50 "Calmodulin And Ng Peptide Complex" 100.00 185 99.32 100.00 1.81e-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 3.16e-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 3.68e-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 3.68e-99 PDB 4HEX "A Novel Conformation Of Calmodulin" 100.00 156 99.32 100.00 1.42e-99 PDB 4IK1 "High Resolution Structure Of Gcampj At Ph 8.5" 99.32 448 99.32 99.32 2.67e-94 PDB 4IK3 "High Resolution Structure Of Gcamp3 At Ph 8.5" 99.32 448 100.00 100.00 2.04e-95 PDB 4IK4 "High Resolution Structure Of Gcamp3 At Ph 5.0" 99.32 448 100.00 100.00 2.04e-95 PDB 4IK5 "High Resolution Structure Of Delta-rest-gcamp3" 99.32 414 100.00 100.00 7.54e-96 PDB 4IK8 "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" 99.32 448 100.00 100.00 2.04e-95 PDB 4IK9 "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" 99.32 448 100.00 100.00 2.04e-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 3.68e-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 3.68e-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 3.68e-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 3.68e-99 PDB 4L79 "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" 100.00 149 99.32 100.00 3.68e-99 PDB 4LZX "Complex Of Iqcg And Ca2+-free Cam" 100.00 148 99.32 100.00 3.16e-99 PDB 4M1L "Complex Of Iqcg And Ca2+-bound Cam" 100.00 148 99.32 100.00 3.16e-99 PDB 4Q5U "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" 100.00 149 99.32 100.00 3.68e-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 4.96e-98 PDB 4R8G "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" 100.00 148 99.32 100.00 3.16e-99 PDB 4UMO "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 99.32 100.00 3.68e-99 PDB 4UPU "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" 100.00 148 99.32 100.00 3.16e-99 PDB 4V0C "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 99.32 100.00 3.68e-99 DBJ BAA08302 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 3.68e-99 DBJ BAA11896 "calmodulin [Anas platyrhynchos]" 100.00 149 99.32 100.00 3.68e-99 DBJ BAA19786 "calmodulin [Branchiostoma lanceolatum]" 100.00 149 97.30 99.32 4.86e-97 DBJ BAA19787 "calmodulin [Branchiostoma floridae]" 100.00 149 97.30 99.32 4.86e-97 DBJ BAA19788 "calmodulin [Halocynthia roretzi]" 100.00 149 97.30 99.32 4.86e-97 EMBL CAA10601 "calmodulin [Caenorhabditis elegans]" 100.00 149 97.30 98.65 1.11e-96 EMBL CAA32050 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 3.68e-99 EMBL CAA32062 "calmodulin II [Rattus norvegicus]" 100.00 149 99.32 100.00 3.68e-99 EMBL CAA32119 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 3.68e-99 EMBL CAA32120 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 3.68e-99 GB AAA35635 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 3.68e-99 GB AAA35641 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 3.68e-99 GB AAA37365 "calmodulin synthesis [Mus musculus]" 100.00 149 99.32 100.00 3.68e-99 GB AAA40862 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 3.68e-99 GB AAA40863 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 3.68e-99 PIR JC1305 "calmodulin - Japanese medaka" 100.00 149 99.32 100.00 3.68e-99 PIR MCON "calmodulin - salmon" 100.00 148 99.32 100.00 3.16e-99 PRF 0608335A calmodulin 100.00 148 98.65 99.32 9.97e-98 PRF 0711223A calmodulin 100.00 148 97.30 99.32 9.46e-97 REF NP_001008160 "calmodulin [Xenopus (Silurana) tropicalis]" 100.00 149 99.32 100.00 3.68e-99 REF NP_001009759 "calmodulin [Ovis aries]" 100.00 149 99.32 100.00 3.68e-99 REF NP_001039714 "calmodulin [Bos taurus]" 100.00 149 99.32 100.00 3.68e-99 REF NP_001040234 "calmodulin [Bombyx mori]" 100.00 149 97.30 99.32 4.86e-97 REF NP_001080864 "calmodulin [Xenopus laevis]" 100.00 149 99.32 100.00 3.68e-99 SP O16305 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 97.30 98.65 1.11e-96 SP P02594 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 98.65 100.00 1.25e-98 SP P02595 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 97.30 99.32 1.31e-96 SP P11121 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 97.97 99.32 1.46e-97 SP P21251 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 97.97 99.32 8.94e-98 TPG DAA13808 "TPA: calmodulin 2-like [Bos taurus]" 100.00 216 97.97 98.65 1.73e-97 TPG DAA18029 "TPA: calmodulin [Bos taurus]" 100.00 149 97.97 99.32 6.58e-98 TPG DAA19590 "TPA: calmodulin 3 [Bos taurus]" 100.00 149 99.32 100.00 3.68e-99 TPG DAA24777 "TPA: calmodulin 2-like [Bos taurus]" 100.00 149 99.32 100.00 3.68e-99 TPG DAA24988 "TPA: calmodulin 2-like isoform 1 [Bos taurus]" 100.00 149 99.32 100.00 3.68e-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_ #################### # 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_Ca4CaM _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' '3D HNCACB' 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 8.891 0.01 1 2 1 1 ALA C C 177.027 0.2 1 3 1 1 ALA CA C 52.621 0.2 1 4 1 1 ALA CB C 17.854 0.2 1 5 1 1 ALA N N 124.240 0.2 1 6 2 2 ASP H H 8.024 0.01 1 7 2 2 ASP C C 175.427 0.2 1 8 2 2 ASP CA C 54.127 0.2 1 9 2 2 ASP CB C 39.841 0.2 1 10 2 2 ASP N N 116.838 0.2 1 11 3 3 GLN H H 7.903 0.01 1 12 3 3 GLN C C 175.027 0.2 1 13 3 3 GLN CA C 54.584 0.2 1 14 3 3 GLN CB C 28.569 0.2 1 15 3 3 GLN N N 117.852 0.2 1 16 4 4 LEU H H 7.778 0.01 1 17 4 4 LEU C C 176.727 0.2 1 18 4 4 LEU CA C 53.378 0.2 1 19 4 4 LEU CB C 42.681 0.2 1 20 4 4 LEU N N 121.696 0.2 1 21 5 5 THR H H 8.671 0.01 1 22 5 5 THR C C 174.327 0.2 1 23 5 5 THR CA C 59.569 0.2 1 24 5 5 THR CB C 70.237 0.2 1 25 5 5 THR N N 112.801 0.2 1 26 6 6 GLU H H 8.742 0.01 1 27 6 6 GLU C C 178.727 0.2 1 28 6 6 GLU CA C 59.156 0.2 1 29 6 6 GLU CB C 28.219 0.2 1 30 6 6 GLU N N 120.562 0.2 1 31 7 7 GLU H H 8.604 0.01 1 32 7 7 GLU C C 178.427 0.2 1 33 7 7 GLU CA C 59.156 0.2 1 34 7 7 GLU CB C 28.091 0.2 1 35 7 7 GLU N N 119.507 0.2 1 36 8 8 GLN H H 7.650 0.01 1 37 8 8 GLN C C 177.327 0.2 1 38 8 8 GLN CA C 57.735 0.2 1 39 8 8 GLN CB C 28.133 0.2 1 40 8 8 GLN N N 120.254 0.2 1 41 9 9 ILE H H 8.291 0.01 1 42 9 9 ILE C C 176.927 0.2 1 43 9 9 ILE CA C 65.500 0.2 1 44 9 9 ILE CB C 36.849 0.2 1 45 9 9 ILE N N 118.913 0.2 1 46 10 10 ALA H H 7.966 0.01 1 47 10 10 ALA C C 180.227 0.2 1 48 10 10 ALA CA C 54.604 0.2 1 49 10 10 ALA CB C 16.841 0.2 1 50 10 10 ALA N N 120.995 0.2 1 51 11 11 GLU H H 7.668 0.01 1 52 11 11 GLU C C 179.127 0.2 1 53 11 11 GLU CA C 58.637 0.2 1 54 11 11 GLU CB C 28.399 0.2 1 55 11 11 GLU N N 119.633 0.2 1 56 12 12 PHE H H 8.502 0.01 1 57 12 12 PHE C C 178.127 0.2 1 58 12 12 PHE CA C 57.763 0.2 1 59 12 12 PHE CB C 36.323 0.2 1 60 12 12 PHE N N 119.166 0.2 1 61 13 13 LYS H H 9.233 0.01 1 62 13 13 LYS C C 178.327 0.2 1 63 13 13 LYS CA C 59.341 0.2 1 64 13 13 LYS CB C 31.040 0.2 1 65 13 13 LYS N N 123.020 0.2 1 66 14 14 GLU H H 7.793 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 120.474 0.2 1 71 15 15 ALA H H 7.997 0.01 1 72 15 15 ALA C C 177.327 0.2 1 73 15 15 ALA CA C 54.424 0.2 1 74 15 15 ALA CB C 17.117 0.2 1 75 15 15 ALA N N 122.017 0.2 1 76 16 16 PHE H H 8.765 0.01 1 77 16 16 PHE C C 176.627 0.2 1 78 16 16 PHE CA C 61.489 0.2 1 79 16 16 PHE CB C 38.685 0.2 1 80 16 16 PHE N N 119.132 0.2 1 81 17 17 SER H H 8.075 0.01 1 82 17 17 SER C C 173.927 0.2 1 83 17 17 SER CA C 60.699 0.2 1 84 17 17 SER CB C 62.353 0.2 1 85 17 17 SER N N 112.561 0.2 1 86 18 18 LEU H H 7.323 0.01 1 87 18 18 LEU C C 176.927 0.2 1 88 18 18 LEU CA C 56.462 0.2 1 89 18 18 LEU CB C 40.171 0.2 1 90 18 18 LEU N N 121.075 0.2 1 91 19 19 PHE H H 7.002 0.01 1 92 19 19 PHE CA C 59.270 0.2 1 93 19 19 PHE CB C 40.480 0.2 1 94 19 19 PHE N N 113.026 0.2 1 95 20 20 ASP H H 7.992 0.01 1 96 20 20 ASP C C 176.727 0.2 1 97 20 20 ASP CA C 51.758 0.2 1 98 20 20 ASP CB C 37.911 0.2 1 99 20 20 ASP N N 117.269 0.2 1 100 21 21 LYS H H 7.872 0.01 1 101 21 21 LYS C C 177.527 0.2 1 102 21 21 LYS CA C 57.835 0.2 1 103 21 21 LYS CB C 31.700 0.2 1 104 21 21 LYS N N 124.741 0.2 1 105 22 22 ASP H H 7.875 0.01 1 106 22 22 ASP C C 176.827 0.2 1 107 22 22 ASP CA C 51.897 0.2 1 108 22 22 ASP CB C 38.512 0.2 1 109 22 22 ASP N N 113.683 0.2 1 110 23 23 GLY H H 7.636 0.01 1 111 23 23 GLY C C 174.427 0.2 1 112 23 23 GLY CA C 46.295 0.2 1 113 23 23 GLY N N 109.115 0.2 1 114 24 24 ASP H H 8.317 0.01 1 115 24 24 ASP C C 176.627 0.2 1 116 24 24 ASP CA C 52.867 0.2 1 117 24 24 ASP CB C 39.394 0.2 1 118 24 24 ASP N N 120.452 0.2 1 119 25 25 GLY H H 10.521 0.01 1 120 25 25 GLY C C 173.127 0.2 1 121 25 25 GLY CA C 44.525 0.2 1 122 25 25 GLY N N 113.042 0.2 1 123 26 26 THR H H 8.054 0.01 1 124 26 26 THR C C 172.427 0.2 1 125 26 26 THR CA C 58.557 0.2 1 126 26 26 THR CB C 71.968 0.2 1 127 26 26 THR N N 111.235 0.2 1 128 27 27 ILE H H 9.831 0.01 1 129 27 27 ILE C C 175.427 0.2 1 130 27 27 ILE CA C 59.822 0.2 1 131 27 27 ILE CB C 38.904 0.2 1 132 27 27 ILE N N 126.564 0.2 1 133 28 28 THR H H 8.356 0.01 1 134 28 28 THR C C 176.027 0.2 1 135 28 28 THR CA C 58.699 0.2 1 136 28 28 THR CB C 71.562 0.2 1 137 28 28 THR N N 116.404 0.2 1 138 29 29 THR H H 9.173 0.01 1 139 29 29 THR C C 176.727 0.2 1 140 29 29 THR CA C 65.676 0.2 1 141 29 29 THR CB C 67.101 0.2 1 142 29 29 THR N N 112.601 0.2 1 143 30 30 LYS H H 7.584 0.01 1 144 30 30 LYS C C 179.127 0.2 1 145 30 30 LYS CA C 58.369 0.2 1 146 30 30 LYS CB C 31.588 0.2 1 147 30 30 LYS N N 121.073 0.2 1 148 31 31 GLU H H 7.621 0.01 1 149 31 31 GLU C C 178.627 0.2 1 150 31 31 GLU CA C 58.791 0.2 1 151 31 31 GLU CB C 28.713 0.2 1 152 31 31 GLU N N 122.237 0.2 1 153 32 32 LEU H H 8.608 0.01 1 154 32 32 LEU C C 178.227 0.2 1 155 32 32 LEU CA C 57.595 0.2 1 156 32 32 LEU CB C 42.190 0.2 1 157 32 32 LEU N N 120.194 0.2 1 158 33 33 GLY H H 8.546 0.01 1 159 33 33 GLY C C 174.227 0.2 1 160 33 33 GLY CA C 47.393 0.2 1 161 33 33 GLY N N 104.407 0.2 1 162 34 34 THR H H 8.007 0.01 1 163 34 34 THR C C 176.427 0.2 1 164 34 34 THR CA C 66.415 0.2 1 165 34 34 THR CB C 68.039 0.2 1 166 34 34 THR N N 117.523 0.2 1 167 35 35 VAL H H 7.433 0.01 1 168 35 35 VAL C C 178.027 0.2 1 169 35 35 VAL CA C 65.680 0.2 1 170 35 35 VAL CB C 30.583 0.2 1 171 35 35 VAL N N 121.336 0.2 1 172 36 36 MET H H 8.343 0.01 1 173 36 36 MET C C 178.327 0.2 1 174 36 36 MET CA C 58.870 0.2 1 175 36 36 MET CB C 30.785 0.2 1 176 36 36 MET N N 117.936 0.2 1 177 37 37 ARG H H 8.518 0.01 1 178 37 37 ARG C C 180.427 0.2 1 179 37 37 ARG CA C 58.083 0.2 1 180 37 37 ARG CB C 29.234 0.2 1 181 37 37 ARG N N 117.811 0.2 1 182 38 38 SER H H 7.840 0.01 1 183 38 38 SER C C 173.727 0.2 1 184 38 38 SER CA C 60.849 0.2 1 185 38 38 SER CB C 62.021 0.2 1 186 38 38 SER N N 118.522 0.2 1 187 39 39 LEU H H 7.292 0.01 1 188 39 39 LEU C C 175.927 0.2 1 189 39 39 LEU CA C 53.041 0.2 1 190 39 39 LEU CB C 40.196 0.2 1 191 39 39 LEU N N 119.833 0.2 1 192 40 40 GLY H H 7.638 0.01 1 193 40 40 GLY C C 173.627 0.2 1 194 40 40 GLY CA C 44.903 0.2 1 195 40 40 GLY N N 105.424 0.2 1 196 41 41 GLN H H 7.825 0.01 1 197 41 41 GLN C C 173.427 0.2 1 198 41 41 GLN CA C 53.454 0.2 1 199 41 41 GLN CB C 29.453 0.2 1 200 41 41 GLN N N 118.169 0.2 1 201 42 42 ASN H H 8.708 0.01 1 202 42 42 ASN CA C 50.529 0.2 1 203 42 42 ASN CB C 38.363 0.2 1 204 42 42 ASN N N 116.192 0.2 1 205 43 43 PRO C C 177.015 0.2 1 206 44 44 THR H H 8.781 0.01 1 207 44 44 THR C C 174.627 0.2 1 208 44 44 THR CA C 59.569 0.2 1 209 44 44 THR CB C 70.247 0.2 1 210 44 44 THR N N 113.362 0.2 1 211 45 45 GLU H H 8.969 0.01 1 212 45 45 GLU C C 178.227 0.2 1 213 45 45 GLU CA C 59.089 0.2 1 214 45 45 GLU CB C 27.960 0.2 1 215 45 45 GLU N N 120.454 0.2 1 216 46 46 ALA H H 8.217 0.01 1 217 46 46 ALA C C 179.427 0.2 1 218 46 46 ALA CA C 54.098 0.2 1 219 46 46 ALA CB C 17.117 0.2 1 220 46 46 ALA N N 120.735 0.2 1 221 47 47 GLU H H 7.652 0.01 1 222 47 47 GLU CA C 58.220 0.2 1 223 47 47 GLU CB C 28.729 0.2 1 224 47 47 GLU N N 118.571 0.2 1 225 49 49 GLN H H 8.122 0.01 1 226 49 49 GLN C C 177.727 0.2 1 227 49 49 GLN CA C 57.763 0.2 1 228 49 49 GLN CB C 27.153 0.2 1 229 49 49 GLN N N 118.210 0.2 1 230 50 50 ASP H H 8.064 0.01 1 231 50 50 ASP C C 177.927 0.2 1 232 50 50 ASP CA C 56.813 0.2 1 233 50 50 ASP CB C 39.384 0.2 1 234 50 50 ASP N N 119.941 0.2 1 235 51 51 MET H H 7.786 0.01 1 236 51 51 MET C C 176.227 0.2 1 237 51 51 MET CA C 58.470 0.2 1 238 51 51 MET CB C 32.305 0.2 1 239 51 51 MET N N 119.331 0.2 1 240 52 52 ILE H H 7.544 0.01 1 241 52 52 ILE C C 177.127 0.2 1 242 52 52 ILE CA C 63.996 0.2 1 243 52 52 ILE CB C 36.215 0.2 1 244 52 52 ILE N N 117.492 0.2 1 245 53 53 ASN H H 8.546 0.01 1 246 53 53 ASN C C 176.427 0.2 1 247 53 53 ASN CA C 55.050 0.2 1 248 53 53 ASN CB C 37.348 0.2 1 249 53 53 ASN N N 117.770 0.2 1 250 54 54 GLU H H 7.448 0.01 1 251 54 54 GLU C C 176.627 0.2 1 252 54 54 GLU CA C 57.984 0.2 1 253 54 54 GLU CB C 29.351 0.2 1 254 54 54 GLU N N 116.307 0.2 1 255 55 55 VAL H H 7.118 0.01 1 256 55 55 VAL C C 174.927 0.2 1 257 55 55 VAL CA C 60.110 0.2 1 258 55 55 VAL CB C 31.900 0.2 1 259 55 55 VAL N N 109.685 0.2 1 260 56 56 ASP H H 7.699 0.01 1 261 56 56 ASP C C 175.027 0.2 1 262 56 56 ASP CA C 53.305 0.2 1 263 56 56 ASP CB C 39.513 0.2 1 264 56 56 ASP N N 121.135 0.2 1 265 57 57 ALA H H 8.499 0.01 1 266 57 57 ALA C C 178.027 0.2 1 267 57 57 ALA CA C 53.145 0.2 1 268 57 57 ALA CB C 18.757 0.2 1 269 57 57 ALA N N 132.053 0.2 1 270 58 58 ASP H H 8.266 0.01 1 271 58 58 ASP C C 177.127 0.2 1 272 58 58 ASP CA C 52.010 0.2 1 273 58 58 ASP CB C 38.912 0.2 1 274 58 58 ASP N N 114.369 0.2 1 275 59 59 GLY H H 7.542 0.01 1 276 59 59 GLY C C 174.227 0.2 1 277 59 59 GLY CA C 46.379 0.2 1 278 59 59 GLY N N 109.155 0.2 1 279 60 60 ASP H H 8.277 0.01 1 280 60 60 ASP C C 176.627 0.2 1 281 60 60 ASP CA C 53.069 0.2 1 282 60 60 ASP CB C 39.733 0.2 1 283 60 60 ASP N N 120.771 0.2 1 284 61 61 GLY H H 10.332 0.01 1 285 61 61 GLY C C 172.627 0.2 1 286 61 61 GLY CA C 44.754 0.2 1 287 61 61 GLY N N 112.846 0.2 1 288 62 62 THR H H 8.185 0.01 1 289 62 62 THR C C 172.727 0.2 1 290 62 62 THR CA C 59.172 0.2 1 291 62 62 THR CB C 71.365 0.2 1 292 62 62 THR N N 111.279 0.2 1 293 63 63 ILE H H 8.797 0.01 1 294 63 63 ILE C C 174.927 0.2 1 295 63 63 ILE CA C 59.130 0.2 1 296 63 63 ILE CB C 39.508 0.2 1 297 63 63 ILE N N 122.297 0.2 1 298 64 64 ASP H H 8.865 0.01 1 299 64 64 ASP C C 175.527 0.2 1 300 64 64 ASP CA C 51.195 0.2 1 301 64 64 ASP CB C 40.309 0.2 1 302 64 64 ASP N N 128.962 0.2 1 303 65 65 PHE H H 8.797 0.01 1 304 65 65 PHE CA C 62.664 0.2 1 305 65 65 PHE N N 117.790 0.2 1 306 66 66 PRO C C 179.460 0.2 1 307 67 67 GLU H H 8.269 0.01 1 308 67 67 GLU C C 178.327 0.2 1 309 67 67 GLU CA C 58.175 0.2 1 310 67 67 GLU CB C 28.394 0.2 1 311 67 67 GLU N N 118.351 0.2 1 312 68 68 PHE H H 8.985 0.01 1 313 68 68 PHE C C 176.327 0.2 1 314 68 68 PHE CA C 60.754 0.2 1 315 68 68 PHE CB C 39.321 0.2 1 316 68 68 PHE N N 123.720 0.2 1 317 69 69 LEU H H 8.654 0.01 1 318 69 69 LEU C C 178.227 0.2 1 319 69 69 LEU CA C 57.114 0.2 1 320 69 69 LEU CB C 40.314 0.2 1 321 69 69 LEU N N 119.271 0.2 1 322 70 70 THR H H 7.621 0.01 1 323 70 70 THR C C 175.327 0.2 1 324 70 70 THR CA C 66.038 0.2 1 325 70 70 THR CB C 67.714 0.2 1 326 70 70 THR N N 115.766 0.2 1 327 71 71 MET H H 7.605 0.01 1 328 71 71 MET C C 176.927 0.2 1 329 71 71 MET CA C 57.853 0.2 1 330 71 71 MET CB C 31.367 0.2 1 331 71 71 MET N N 121.364 0.2 1 332 72 72 MET H H 8.232 0.01 1 333 72 72 MET C C 178.127 0.2 1 334 72 72 MET CA C 55.618 0.2 1 335 72 72 MET CB C 30.867 0.2 1 336 72 72 MET N N 117.128 0.2 1 337 73 73 ALA H H 8.170 0.01 1 338 73 73 ALA C C 178.927 0.2 1 339 73 73 ALA CA C 53.933 0.2 1 340 73 73 ALA CB C 17.053 0.2 1 341 73 73 ALA N N 121.275 0.2 1 342 74 74 ARG H H 7.419 0.01 1 343 74 74 ARG C C 177.527 0.2 1 344 74 74 ARG CA C 57.733 0.2 1 345 74 74 ARG CB C 29.606 0.2 1 346 74 74 ARG N N 115.593 0.2 1 347 75 75 LYS H H 7.703 0.01 1 348 75 75 LYS C C 177.927 0.2 1 349 75 75 LYS CA C 55.111 0.2 1 350 75 75 LYS CB C 31.805 0.2 1 351 75 75 LYS N N 116.198 0.2 1 352 76 76 MET H H 7.558 0.01 1 353 76 76 MET C C 175.327 0.2 1 354 76 76 MET CA C 55.766 0.2 1 355 76 76 MET CB C 31.519 0.2 1 356 76 76 MET N N 117.629 0.2 1 357 77 77 LYS H H 7.584 0.01 1 358 77 77 LYS CA C 55.916 0.2 1 359 77 77 LYS CB C 32.740 0.2 1 360 77 77 LYS N N 120.158 0.2 1 361 79 79 THR H H 7.762 0.01 1 362 79 79 THR C C 172.827 0.2 1 363 79 79 THR CA C 60.924 0.2 1 364 79 79 THR CB C 69.483 0.2 1 365 79 79 THR N N 113.623 0.2 1 366 80 80 ASP H H 8.436 0.01 1 367 80 80 ASP C C 175.327 0.2 1 368 80 80 ASP CA C 52.926 0.2 1 369 80 80 ASP CB C 41.032 0.2 1 370 80 80 ASP N N 123.780 0.2 1 371 81 81 SER H H 8.766 0.01 1 372 81 81 SER C C 174.727 0.2 1 373 81 81 SER CA C 58.642 0.2 1 374 81 81 SER CB C 63.388 0.2 1 375 81 81 SER N N 119.364 0.2 1 376 82 82 GLU H H 8.546 0.01 1 377 82 82 GLU C C 177.927 0.2 1 378 82 82 GLU CA C 58.944 0.2 1 379 82 82 GLU CB C 28.421 0.2 1 380 82 82 GLU N N 122.157 0.2 1 381 83 83 GLU H H 8.185 0.01 1 382 83 83 GLU C C 178.027 0.2 1 383 83 83 GLU CA C 58.519 0.2 1 384 83 83 GLU CB C 28.367 0.2 1 385 83 83 GLU N N 119.232 0.2 1 386 84 84 GLU H H 7.891 0.01 1 387 84 84 GLU C C 179.327 0.2 1 388 84 84 GLU CA C 58.734 0.2 1 389 84 84 GLU CB C 28.520 0.2 1 390 84 84 GLU N N 118.462 0.2 1 391 85 85 ILE H H 8.091 0.01 1 392 85 85 ILE C C 177.127 0.2 1 393 85 85 ILE CA C 64.797 0.2 1 394 85 85 ILE CB C 36.341 0.2 1 395 85 85 ILE N N 121.736 0.2 1 396 86 86 ARG H H 8.232 0.01 1 397 86 86 ARG C C 177.527 0.2 1 398 86 86 ARG CA C 59.492 0.2 1 399 86 86 ARG CB C 29.034 0.2 1 400 86 86 ARG N N 121.784 0.2 1 401 87 87 GLU H H 8.267 0.01 1 402 87 87 GLU C C 178.727 0.2 1 403 87 87 GLU CA C 58.013 0.2 1 404 87 87 GLU CB C 28.288 0.2 1 405 87 87 GLU N N 117.943 0.2 1 406 88 88 ALA H H 8.138 0.01 1 407 88 88 ALA C C 178.627 0.2 1 408 88 88 ALA CA C 54.568 0.2 1 409 88 88 ALA CB C 17.643 0.2 1 410 88 88 ALA N N 122.297 0.2 1 411 89 89 PHE H H 8.560 0.01 1 412 89 89 PHE C C 176.127 0.2 1 413 89 89 PHE CA C 61.705 0.2 1 414 89 89 PHE CB C 37.910 0.2 1 415 89 89 PHE N N 119.065 0.2 1 416 90 90 ARG H H 7.590 0.01 1 417 90 90 ARG C C 176.827 0.2 1 418 90 90 ARG CA C 58.054 0.2 1 419 90 90 ARG CB C 29.432 0.2 1 420 90 90 ARG N N 115.321 0.2 1 421 91 91 VAL H H 7.292 0.01 1 422 91 91 VAL C C 175.927 0.2 1 423 91 91 VAL CA C 64.871 0.2 1 424 91 91 VAL CB C 30.322 0.2 1 425 91 91 VAL N N 117.850 0.2 1 426 92 92 PHE H H 6.975 0.01 1 427 92 92 PHE C C 175.927 0.2 1 428 92 92 PHE CA C 59.842 0.2 1 429 92 92 PHE CB C 40.466 0.2 1 430 92 92 PHE N N 113.572 0.2 1 431 93 93 ASP H H 7.856 0.01 1 432 93 93 ASP C C 176.827 0.2 1 433 93 93 ASP CA C 51.250 0.2 1 434 93 93 ASP CB C 37.585 0.2 1 435 93 93 ASP N N 116.287 0.2 1 436 94 94 LYS H H 7.731 0.01 1 437 94 94 LYS C C 177.527 0.2 1 438 94 94 LYS CA C 58.155 0.2 1 439 94 94 LYS CB C 31.582 0.2 1 440 94 94 LYS N N 125.623 0.2 1 441 95 95 ASP H H 8.154 0.01 1 442 95 95 ASP C C 176.927 0.2 1 443 95 95 ASP CA C 52.179 0.2 1 444 95 95 ASP CB C 38.576 0.2 1 445 95 95 ASP N N 114.063 0.2 1 446 96 96 GLY H H 7.762 0.01 1 447 96 96 GLY C C 174.327 0.2 1 448 96 96 GLY CA C 46.238 0.2 1 449 96 96 GLY N N 109.195 0.2 1 450 97 97 ASN H H 8.311 0.01 1 451 97 97 ASN C C 175.327 0.2 1 452 97 97 ASN CA C 51.726 0.2 1 453 97 97 ASN CB C 37.122 0.2 1 454 97 97 ASN N N 119.619 0.2 1 455 98 98 GLY H H 10.647 0.01 1 456 98 98 GLY C C 172.027 0.2 1 457 98 98 GLY CA C 44.077 0.2 1 458 98 98 GLY N N 112.821 0.2 1 459 99 99 TYR H H 7.652 0.01 1 460 99 99 TYR C C 173.927 0.2 1 461 99 99 TYR CA C 55.364 0.2 1 462 99 99 TYR CB C 41.846 0.2 1 463 99 99 TYR N N 116.207 0.2 1 464 100 100 ILE H H 10.113 0.01 1 465 100 100 ILE C C 174.627 0.2 1 466 100 100 ILE CA C 60.494 0.2 1 467 100 100 ILE CB C 38.400 0.2 1 468 100 100 ILE N N 127.346 0.2 1 469 101 101 SER H H 8.940 0.01 1 470 101 101 SER C C 174.427 0.2 1 471 101 101 SER CA C 54.898 0.2 1 472 101 101 SER CB C 66.143 0.2 1 473 101 101 SER N N 123.763 0.2 1 474 102 102 ALA H H 9.206 0.01 1 475 102 102 ALA C C 178.427 0.2 1 476 102 102 ALA CA C 55.057 0.2 1 477 102 102 ALA CB C 16.975 0.2 1 478 102 102 ALA N N 122.975 0.2 1 479 103 103 ALA H H 8.187 0.01 1 480 103 103 ALA C C 180.727 0.2 1 481 103 103 ALA CA C 54.325 0.2 1 482 103 103 ALA CB C 17.321 0.2 1 483 103 103 ALA N N 118.349 0.2 1 484 104 104 GLU H H 7.856 0.01 1 485 104 104 GLU C C 178.427 0.2 1 486 104 104 GLU CA C 58.585 0.2 1 487 104 104 GLU CB C 28.089 0.2 1 488 104 104 GLU N N 120.628 0.2 1 489 105 105 LEU H H 8.430 0.01 1 490 105 105 LEU C C 177.527 0.2 1 491 105 105 LEU CA C 57.879 0.2 1 492 105 105 LEU CB C 40.931 0.2 1 493 105 105 LEU N N 120.955 0.2 1 494 106 106 ARG H H 8.656 0.01 1 495 106 106 ARG C C 177.927 0.2 1 496 106 106 ARG CA C 59.270 0.2 1 497 106 106 ARG CB C 29.366 0.2 1 498 106 106 ARG N N 117.850 0.2 1 499 107 107 HIS H H 7.948 0.01 1 500 107 107 HIS C C 176.927 0.2 1 501 107 107 HIS CA C 59.375 0.2 1 502 107 107 HIS CB C 29.788 0.2 1 503 107 107 HIS N N 119.760 0.2 1 504 108 108 VAL H H 7.880 0.01 1 505 108 108 VAL C C 177.527 0.2 1 506 108 108 VAL CA C 66.028 0.2 1 507 108 108 VAL CB C 30.626 0.2 1 508 108 108 VAL N N 118.548 0.2 1 509 109 109 MET H H 8.342 0.01 1 510 109 109 MET C C 178.527 0.2 1 511 109 109 MET CA C 56.413 0.2 1 512 109 109 MET CB C 28.724 0.2 1 513 109 109 MET N N 115.386 0.2 1 514 110 110 THR H H 8.238 0.01 1 515 110 110 THR C C 177.627 0.2 1 516 110 110 THR CA C 65.796 0.2 1 517 110 110 THR CB C 67.720 0.2 1 518 110 110 THR N N 116.118 0.2 1 519 111 111 ASN H H 7.634 0.01 1 520 111 111 ASN C C 175.627 0.2 1 521 111 111 ASN CA C 55.016 0.2 1 522 111 111 ASN CB C 36.858 0.2 1 523 111 111 ASN N N 122.999 0.2 1 524 112 112 LEU H H 7.699 0.01 1 525 112 112 LEU C C 175.527 0.2 1 526 112 112 LEU CA C 54.282 0.2 1 527 112 112 LEU CB C 40.950 0.2 1 528 112 112 LEU N N 118.952 0.2 1 529 113 113 GLY H H 7.602 0.01 1 530 113 113 GLY C C 173.627 0.2 1 531 113 113 GLY CA C 44.279 0.2 1 532 113 113 GLY N N 105.566 0.2 1 533 114 114 GLU H H 7.934 0.01 1 534 114 114 GLU C C 174.327 0.2 1 535 114 114 GLU CA C 54.117 0.2 1 536 114 114 GLU CB C 29.685 0.2 1 537 114 114 GLU N N 120.294 0.2 1 538 115 115 LYS H H 8.568 0.01 1 539 115 115 LYS C C 174.627 0.2 1 540 115 115 LYS CA C 54.568 0.2 1 541 115 115 LYS CB C 30.837 0.2 1 542 115 115 LYS N N 125.563 0.2 1 543 116 116 LEU H H 7.966 0.01 1 544 116 116 LEU C C 177.527 0.2 1 545 116 116 LEU CA C 53.053 0.2 1 546 116 116 LEU CB C 43.919 0.2 1 547 116 116 LEU N N 124.621 0.2 1 548 117 117 THR H H 9.220 0.01 1 549 117 117 THR C C 174.727 0.2 1 550 117 117 THR CA C 59.801 0.2 1 551 117 117 THR CB C 70.452 0.2 1 552 117 117 THR N N 114.845 0.2 1 553 118 118 ASP H H 8.875 0.01 1 554 118 118 ASP C C 177.827 0.2 1 555 118 118 ASP CA C 57.259 0.2 1 556 118 118 ASP CB C 38.584 0.2 1 557 118 118 ASP N N 121.055 0.2 1 558 119 119 GLU H H 8.599 0.01 1 559 119 119 GLU C C 178.427 0.2 1 560 119 119 GLU CA C 59.159 0.2 1 561 119 119 GLU CB C 28.160 0.2 1 562 119 119 GLU N N 119.115 0.2 1 563 120 120 GLU H H 7.685 0.01 1 564 120 120 GLU C C 178.927 0.2 1 565 120 120 GLU CA C 58.350 0.2 1 566 120 120 GLU CB C 29.776 0.2 1 567 120 120 GLU N N 120.381 0.2 1 568 121 121 VAL H H 7.990 0.01 1 569 121 121 VAL C C 178.827 0.2 1 570 121 121 VAL CA C 66.201 0.2 1 571 121 121 VAL CB C 30.482 0.2 1 572 121 121 VAL N N 120.701 0.2 1 573 122 122 ASP H H 7.813 0.01 1 574 122 122 ASP C C 178.727 0.2 1 575 122 122 ASP CA C 56.761 0.2 1 576 122 122 ASP CB C 39.680 0.2 1 577 122 122 ASP N N 119.766 0.2 1 578 123 123 GLU H H 8.013 0.01 1 579 123 123 GLU C C 177.727 0.2 1 580 123 123 GLU CA C 58.539 0.2 1 581 123 123 GLU CB C 28.709 0.2 1 582 123 123 GLU N N 119.512 0.2 1 583 124 124 MET H H 7.760 0.01 1 584 124 124 MET C C 178.227 0.2 1 585 124 124 MET CA C 59.157 0.2 1 586 124 124 MET CB C 28.592 0.2 1 587 124 124 MET N N 119.642 0.2 1 588 125 125 ILE H H 8.011 0.01 1 589 125 125 ILE C C 178.527 0.2 1 590 125 125 ILE CA C 62.447 0.2 1 591 125 125 ILE CB C 34.855 0.2 1 592 125 125 ILE N N 119.272 0.2 1 593 126 126 ARG H H 8.253 0.01 1 594 126 126 ARG C C 177.627 0.2 1 595 126 126 ARG CA C 58.816 0.2 1 596 126 126 ARG CB C 29.456 0.2 1 597 126 126 ARG N N 117.956 0.2 1 598 127 127 GLU H H 7.906 0.01 1 599 127 127 GLU C C 176.327 0.2 1 600 127 127 GLU CA C 58.127 0.2 1 601 127 127 GLU CB C 29.136 0.2 1 602 127 127 GLU N N 116.947 0.2 1 603 128 128 ALA H H 7.198 0.01 1 604 128 128 ALA C C 176.627 0.2 1 605 128 128 ALA CA C 50.445 0.2 1 606 128 128 ALA CB C 21.324 0.2 1 607 128 128 ALA N N 117.369 0.2 1 608 129 129 ASP H H 7.988 0.01 1 609 129 129 ASP C C 175.027 0.2 1 610 129 129 ASP CA C 53.636 0.2 1 611 129 129 ASP CB C 39.874 0.2 1 612 129 129 ASP N N 118.092 0.2 1 613 130 130 ILE H H 8.201 0.01 1 614 130 130 ILE C C 177.027 0.2 1 615 130 130 ILE CA C 62.585 0.2 1 616 130 130 ILE CB C 37.635 0.2 1 617 130 130 ILE N N 128.007 0.2 1 618 131 131 ASP H H 8.279 0.01 1 619 131 131 ASP C C 177.427 0.2 1 620 131 131 ASP CA C 53.086 0.2 1 621 131 131 ASP CB C 38.896 0.2 1 622 131 131 ASP N N 116.628 0.2 1 623 132 132 GLY H H 7.609 0.01 1 624 132 132 GLY C C 174.427 0.2 1 625 132 132 GLY CA C 46.493 0.2 1 626 132 132 GLY N N 108.488 0.2 1 627 133 133 ASP H H 8.326 0.01 1 628 133 133 ASP C C 176.727 0.2 1 629 133 133 ASP CA C 52.841 0.2 1 630 133 133 ASP CB C 39.070 0.2 1 631 133 133 ASP N N 120.674 0.2 1 632 134 134 GLY H H 10.109 0.01 1 633 134 134 GLY C C 171.927 0.2 1 634 134 134 GLY CA C 44.908 0.2 1 635 134 134 GLY N N 112.451 0.2 1 636 135 135 GLN H H 7.919 0.01 1 637 135 135 GLN C C 174.327 0.2 1 638 135 135 GLN CA C 52.355 0.2 1 639 135 135 GLN CB C 31.560 0.2 1 640 135 135 GLN N N 115.245 0.2 1 641 136 136 VAL H H 9.063 0.01 1 642 136 136 VAL C C 175.027 0.2 1 643 136 136 VAL CA C 60.841 0.2 1 644 136 136 VAL CB C 33.096 0.2 1 645 136 136 VAL N N 125.523 0.2 1 646 137 137 ASN H H 9.408 0.01 1 647 137 137 ASN C C 174.027 0.2 1 648 137 137 ASN CA C 50.172 0.2 1 649 137 137 ASN CB C 37.607 0.2 1 650 137 137 ASN N N 129.089 0.2 1 651 138 138 TYR H H 8.293 0.01 1 652 138 138 TYR C C 175.327 0.2 1 653 138 138 TYR CA C 61.519 0.2 1 654 138 138 TYR CB C 36.631 0.2 1 655 138 138 TYR N N 118.577 0.2 1 656 139 139 GLU H H 8.013 0.01 1 657 139 139 GLU C C 179.527 0.2 1 658 139 139 GLU CA C 59.376 0.2 1 659 139 139 GLU CB C 27.940 0.2 1 660 139 139 GLU N N 118.351 0.2 1 661 140 140 GLU H H 8.664 0.01 1 662 140 140 GLU C C 178.427 0.2 1 663 140 140 GLU CA C 57.843 0.2 1 664 140 140 GLU CB C 28.540 0.2 1 665 140 140 GLU N N 119.622 0.2 1 666 141 141 PHE H H 8.483 0.01 1 667 141 141 PHE C C 175.927 0.2 1 668 141 141 PHE CA C 61.100 0.2 1 669 141 141 PHE CB C 39.514 0.2 1 670 141 141 PHE N N 124.431 0.2 1 671 142 142 VAL H H 8.613 0.01 1 672 142 142 VAL C C 176.527 0.2 1 673 142 142 VAL CA C 66.193 0.2 1 674 142 142 VAL CB C 30.418 0.2 1 675 142 142 VAL N N 118.761 0.2 1 676 143 143 GLN H H 7.827 0.01 1 677 143 143 GLN C C 177.327 0.2 1 678 143 143 GLN CA C 58.207 0.2 1 679 143 143 GLN CB C 26.865 0.2 1 680 143 143 GLN N N 119.122 0.2 1 681 144 144 MET H H 7.480 0.01 1 682 144 144 MET C C 177.127 0.2 1 683 144 144 MET CA C 56.977 0.2 1 684 144 144 MET CB C 30.013 0.2 1 685 144 144 MET N N 118.371 0.2 1 686 145 145 MET H H 7.464 0.01 1 687 145 145 MET C C 177.227 0.2 1 688 145 145 MET CA C 54.042 0.2 1 689 145 145 MET CB C 29.558 0.2 1 690 145 145 MET N N 114.825 0.2 1 691 146 146 THR H H 7.668 0.01 1 692 146 146 THR C C 173.627 0.2 1 693 146 146 THR CA C 61.235 0.2 1 694 146 146 THR CB C 69.604 0.2 1 695 146 146 THR N N 109.676 0.2 1 696 147 147 ALA H H 7.439 0.01 1 697 147 147 ALA C C 176.027 0.2 1 698 147 147 ALA CA C 52.043 0.2 1 699 147 147 ALA CB C 18.089 0.2 1 700 147 147 ALA N N 126.765 0.2 1 701 148 148 LYS H H 7.997 0.01 1 702 148 148 LYS CA C 57.009 0.2 1 703 148 148 LYS CB C 32.532 0.2 1 704 148 148 LYS N N 126.725 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700.13 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name calmodulin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLN N 1.41 0.04 2 4 LEU N 1.02 0.03 3 5 THR N 1.02 0.03 4 6 GLU N 1.04 0.04 5 7 GLU N 1.06 0.03 6 8 GLN N 1.10 0.03 7 9 ILE N 0.99 0.02 8 10 ALA N 1.06 0.03 9 11 GLU N 1.01 0.03 10 12 PHE N 0.93 0.03 11 13 LYS N 0.95 0.02 12 14 GLU N 0.96 0.02 13 15 ALA N 1.07 0.04 14 16 PHE N 1.00 0.03 15 17 SER N 0.96 0.02 16 18 LEU N 1.00 0.03 17 19 PHE N 0.93 0.02 18 20 ASP N 1.07 0.03 19 21 LYS N 0.97 0.02 20 22 ASP N 0.99 0.02 21 23 GLY N 1.01 0.03 22 24 ASP N 1.12 0.03 23 25 GLY N 0.98 0.03 24 26 THR N 1.05 0.03 25 27 ILE N 0.88 0.03 26 28 THR N 1.01 0.06 27 29 THR N 0.94 0.02 28 30 LYS N 1.18 0.04 29 31 GLU N 0.92 0.03 30 32 LEU N 0.92 0.02 31 33 GLY N 0.92 0.02 32 34 THR N 1.04 0.08 33 35 VAL N 0.93 0.02 34 36 MET N 0.96 0.03 35 37 ARG N 0.93 0.14 36 38 SER N 0.93 0.02 37 39 LEU N 0.90 0.02 38 40 GLY N 1.02 0.03 39 41 GLN N 1.07 0.03 40 42 ASN N 1.14 0.03 41 44 THR N 1.05 0.03 42 45 GLU N 1.08 0.03 43 46 ALA N 1.07 0.03 44 47 GLU N 1.01 0.03 45 49 GLN N 0.99 0.02 46 50 ASP N 0.96 0.02 47 51 MET N 0.89 0.02 48 52 ILE N 1.05 0.04 49 53 ASN N 0.97 0.02 50 54 GLU N 0.93 0.02 51 55 VAL N 0.94 0.02 52 56 ASP N 1.01 0.03 53 57 ALA N 0.70 0.02 54 58 ASP N 0.83 0.02 55 59 GLY N 0.85 0.02 56 60 ASP N 0.97 0.02 57 61 GLY N 0.96 0.02 58 62 THR N 0.99 0.02 59 63 ILE N 0.96 0.02 60 64 ASP N 0.91 0.02 61 65 PHE N 0.95 0.02 62 67 GLU N 1.00 0.03 63 68 PHE N 0.98 0.04 64 69 LEU N 1.10 0.03 65 70 THR N 1.02 0.03 66 71 MET N 1.06 0.03 67 72 MET N 1.02 0.03 68 73 ALA N 1.02 0.03 69 74 ARG N 1.05 0.03 70 75 LYS N 1.05 0.03 71 76 MET N 0.94 0.06 72 77 LYS N 1.34 0.06 73 79 THR N 1.27 0.03 74 80 ASP N 1.41 0.04 75 81 SER N 1.26 0.04 76 82 GLU N 1.24 0.07 77 83 GLU N 1.08 0.03 78 85 ILE N 1.10 0.03 79 86 ARG N 1.03 0.05 80 88 ALA N 1.07 0.03 81 89 PHE N 1.09 0.04 82 90 ARG N 0.99 0.02 83 91 VAL N 0.96 0.02 84 92 PHE N 0.90 0.05 85 93 ASP N 0.89 0.02 86 94 LYS N 0.98 0.02 87 95 ASP N 0.97 0.02 88 96 GLY N 0.99 0.02 89 97 ASN N 1.03 0.03 90 98 GLY N 0.95 0.03 91 99 TYR N 1.06 0.04 92 100 ILE N 0.90 0.04 93 101 SER N 0.98 0.03 94 102 ALA N 0.96 0.02 95 103 ALA N 1.02 0.03 96 104 GLU N 0.91 0.02 97 105 LEU N 0.88 0.03 98 106 ARG N 0.93 0.02 99 107 HIS N 0.95 0.04 100 108 VAL N 0.98 0.02 101 109 MET N 0.93 0.04 102 110 THR N 1.16 0.14 103 111 ASN N 0.99 0.03 104 112 LEU N 0.84 0.02 105 113 GLY N 1.09 0.04 106 114 GLU N 1.09 0.03 107 115 LYS N 1.03 0.03 108 116 LEU N 0.92 0.02 109 117 THR N 0.99 0.02 110 118 ASP N 1.17 0.03 111 120 GLU N 1.02 0.381 112 121 VAL N 1.07 0.03 113 122 ASP N 0.94 0.02 114 124 MET N 0.94 0.02 115 127 GLU N 0.96 0.03 116 128 ALA N 0.91 0.02 117 129 ASP N 0.95 0.02 118 130 ILE N 0.69 0.02 119 131 ASP N 0.91 0.02 120 132 GLY N 0.83 0.03 121 133 ASP N 0.95 0.11 122 134 GLY N 1.02 0.03 123 135 GLN N 1.01 0.03 124 136 VAL N 0.93 0.02 125 137 ASN N 0.95 0.04 126 138 TYR N 0.99 0.02 127 139 GLU N 0.93 0.02 128 140 GLU N 0.96 0.02 129 141 PHE N 0.98 0.03 130 142 VAL N 0.97 0.03 131 143 GLN N 0.95 0.02 132 144 MET N 0.94 0.02 133 145 MET N 0.99 0.05 134 146 THR N 1.01 0.03 135 147 ALA N 1.27 0.03 136 148 LYS N 0.98 0.02 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $SPARKY stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700.13 _T2_coherence_type Nz _T2_value_units s-1 _Mol_system_component_name calmodulin _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLN N 9.03 0.58 . . 2 4 LEU N 12.97 0.51 . . 3 5 THR N 14.61 0.58 . . 4 6 GLU N 16.95 0.78 . . 5 7 GLU N 16.02 0.64 . . 6 8 GLN N 16.23 0.64 . . 7 9 ILE N 15.94 0.63 . . 8 10 ALA N 16.75 0.67 . . 9 11 GLU N 16.54 0.66 . . 10 12 PHE N 17.00 0.68 . . 11 13 LYS N 16.91 0.67 . . 12 14 GLU N 17.62 0.70 . . 13 15 ALA N 16.93 0.67 . . 14 16 PHE N 16.42 0.65 . . 15 17 SER N 15.33 0.61 . . 16 18 LEU N 16.55 0.66 . . 17 19 PHE N 15.43 0.61 . . 18 20 ASP N 23.04 1.89 . . 19 21 LYS N 14.49 0.57 . . 20 22 ASP N 16.19 0.64 . . 21 23 GLY N 16.30 0.75 . . 22 24 ASP N 22.01 1.78 . . 23 25 GLY N 17.05 0.68 . . 24 26 THR N 16.31 0.65 . . 25 27 ILE N 15.50 0.62 . . 26 28 THR N 19.67 0.78 . . 27 29 THR N 18.04 0.72 . . 28 30 LYS N 27.25 1.09 . . 29 31 GLU N 18.64 0.74 . . 30 32 LEU N 19.75 0.79 . . 31 33 GLY N 16.96 0.67 . . 32 34 THR N 15.78 0.68 . . 33 35 VAL N 19.00 0.85 . . 34 36 MET N 17.07 0.80 . . 35 37 ARG N 18.22 0.72 . . 36 38 SER N 18.36 0.73 . . 37 39 LEU N 21.73 0.86 . . 38 40 GLY N 13.91 0.55 . . 39 41 GLN N 15.57 0.62 . . 40 42 ASN N 13.95 0.55 . . 41 44 THR N 14.64 0.58 . . 42 45 GLU N 15.34 0.61 . . 43 46 ALA N 16.70 0.66 . . 44 47 GLU N 17.14 0.68 . . 45 49 GLN N 16.17 0.64 . . 46 50 ASP N 15.91 0.63 . . 47 51 MET N 16.92 0.67 . . 48 52 ILE N 15.54 0.62 . . 49 53 ASN N 16.13 0.64 . . 50 54 GLU N 17.34 0.69 . . 51 55 VAL N 17.59 0.70 . . 52 56 ASP N 15.13 0.60 . . 53 57 ALA N 11.44 0.79 . . 54 58 ASP N 16.94 0.67 . . 55 59 GLY N 15.55 0.62 . . 56 60 ASP N 17.37 0.69 . . 57 61 GLY N 15.78 0.63 . . 58 62 THR N 17.25 0.69 . . 59 63 ILE N 19.02 0.76 . . 60 64 ASP N 14.92 0.59 . . 61 65 PHE N 16.65 0.66 . . 62 67 GLU N 16.23 0.64 . . 63 68 PHE N 15.91 0.63 . . 64 69 LEU N 15.48 0.61 . . 65 70 THR N 15.82 0.63 . . 66 71 MET N 18.51 0.74 . . 67 72 MET N 15.13 0.60 . . 68 73 ALA N 17.46 0.69 . . 69 74 ARG N 16.69 0.66 . . 70 75 LYS N 15.42 0.61 . . 71 76 MET N 16.17 0.64 . . 72 77 LYS N 16.73 0.66 . . 73 79 THR N 14.01 0.56 . . 74 80 ASP N 13.50 0.54 . . 75 81 SER N 16.26 0.65 . . 76 82 GLU N 17.20 0.73 . . 77 83 GLU N 17.14 0.68 . . 78 85 ILE N 17.04 0.68 . . 79 86 ARG N 16.47 0.65 . . 80 88 ALA N 17.61 0.70 . . 81 89 PHE N 16.89 0.68 . . 82 90 ARG N 16.84 0.67 . . 83 91 VAL N 16.99 0.67 . . 84 92 PHE N 24.82 1.66 . . 85 93 ASP N 18.57 0.74 . . 86 94 LYS N 14.21 0.56 . . 87 95 ASP N 16.02 0.64 . . 88 96 GLY N 16.06 0.64 . . 89 97 ASN N 17.98 0.71 . . 90 98 GLY N 18.43 0.73 . . 91 99 TYR N 15.72 0.62 . . 92 100 ILE N 14.36 0.57 . . 93 101 SER N 18.79 0.75 . . 94 102 ALA N 17.54 0.70 . . 95 103 ALA N 17.12 0.68 . . 96 104 GLU N 17.79 0.71 . . 97 105 LEU N 19.84 0.79 . . 98 106 ARG N 18.39 0.73 . . 99 107 HIS N 19.66 0.78 . . 100 108 VAL N 18.01 0.72 . . 101 109 MET N 17.61 0.70 . . 102 110 THR N 19.34 0.77 . . 103 111 ASN N 17.32 0.69 . . 104 112 LEU N 17.63 0.70 . . 105 113 GLY N 15.94 0.63 . . 106 114 GLU N 16.65 0.66 . . 107 115 LYS N 11.28 0.61 . . 108 116 LEU N 11.71 0.46 . . 109 117 THR N 15.57 0.62 . . 110 118 ASP N 16.39 0.65 . . 111 120 GLU N 13.78 0.67 . . 112 121 VAL N 16.03 1.31 . . 113 122 ASP N 18.35 0.73 . . 114 124 MET N 16.95 0.72 . . 115 127 GLU N 20.22 0.80 . . 116 128 ALA N 15.67 0.62 . . 117 129 ASP N 14.63 0.58 . . 118 130 ILE N 11.40 0.45 . . 119 131 ASP N 17.62 0.70 . . 120 132 GLY N 15.28 0.72 . . 121 133 ASP N 14.31 1.01 . . 122 134 GLY N 16.02 0.64 . . 123 135 GLN N 16.48 0.65 . . 124 136 VAL N 15.04 0.60 . . 125 137 ASN N 16.93 0.67 . . 126 138 TYR N 12.43 0.83 . . 127 139 GLU N 16.30 0.65 . . 128 140 GLU N 16.64 0.66 . . 129 141 PHE N 20.57 1.39 . . 130 142 VAL N 16.31 0.65 . . 131 143 GLN N 16.98 0.67 . . 132 144 MET N 29.71 1.18 . . 133 145 MET N 24.27 0.97 . . 134 146 THR N 16.99 1.06 . . 135 147 ALA N 12.72 0.50 . . 136 148 LYS N 8.88 0.64 . . stop_ save_