data_15650 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CaM complexed to DRP1p ; _BMRB_accession_number 15650 _BMRB_flat_file_name bmr15650.str _Entry_type original _Submission_date 2008-02-04 _Accession_date 2008-02-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure refined using paramagnetism-based restraints (pcs and rdc)' 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" 145 "13C chemical shifts" 419 "15N chemical shifts" 145 "T1 relaxation values" 110 "T2 relaxation values" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-20 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7416 'calmodulin with Terbium(III)' 7417 'calmodulin with Dysprosium(III)' 7418 'calmodulin with Thulium(III)' stop_ _Original_release_date 2009-10-20 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 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 ions, 1' $CA 'Calcium ions, 2' $CA 'Calcium ions, 3' $CA 'Calcium ions, 4' $CA stop_ _System_molecular_weight 16636.3 _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 15852 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 Mon Aug 20 19:28:44 2007 ; 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 $assembly 0.4 mM '[U-100% 13C; U-100% 15N]' Hepes 30 mM . NaCl 150 mM . TCEP 0.5 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 0.4 mM '[U-100% 15N]' Hepes 30 mM . NaCl 150 mM . TCEP 0.5 mM . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2.0 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_ ######################### # 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_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_IPAP_6 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP _Sample_label $sample_2 save_ save_15N_relaxation_measurement_R1_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation measurement R1' _Sample_label $sample_2 save_ save_15N_relaxation_measurement_R2_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation measurement R2' _Sample_label $sample_2 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 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HN(CO)CA' IPAP 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 2 2 ASP H H 8.018 0.01 1 2 2 2 ASP C C 175.427 0.2 1 3 2 2 ASP CA C 54.256 0.2 1 4 2 2 ASP CB C 39.814 0.2 1 5 2 2 ASP N N 117.165 0.2 1 6 3 3 GLN H H 7.893 0.01 1 7 3 3 GLN C C 175.027 0.2 1 8 3 3 GLN CA C 54.597 0.2 1 9 3 3 GLN CB C 28.671 0.2 1 10 3 3 GLN N N 117.868 0.2 1 11 4 4 LEU H H 7.813 0.01 1 12 4 4 LEU C C 176.727 0.2 1 13 4 4 LEU CA C 53.361 0.2 1 14 4 4 LEU CB C 42.568 0.2 1 15 4 4 LEU N N 121.522 0.2 1 16 5 5 THR H H 8.729 0.01 1 17 5 5 THR C C 174.627 0.2 1 18 5 5 THR CA C 59.604 0.2 1 19 5 5 THR CB C 70.38 0.2 1 20 5 5 THR N N 112.827 0.2 1 21 6 6 GLU H H 8.949 0.01 1 22 6 6 GLU C C 178.727 0.2 1 23 6 6 GLU CA C 59.346 0.2 1 24 6 6 GLU CB C 28.222 0.2 1 25 6 6 GLU N N 120.33 0.2 1 26 7 7 GLU H H 8.574 0.01 1 27 7 7 GLU C C 178.327 0.2 1 28 7 7 GLU CA C 59.153 0.2 1 29 7 7 GLU CB C 28.016 0.2 1 30 7 7 GLU N N 119.586 0.2 1 31 8 8 GLN H H 7.647 0.01 1 32 8 8 GLN C C 177.227 0.2 1 33 8 8 GLN CA C 57.732 0.2 1 34 8 8 GLN CB C 28.229 0.2 1 35 8 8 GLN N N 119.862 0.2 1 36 9 9 ILE H H 8.289 0.01 1 37 9 9 ILE C C 176.927 0.2 1 38 9 9 ILE CA C 65.672 0.2 1 39 9 9 ILE CB C 37.004 0.2 1 40 9 9 ILE N N 119.177 0.2 1 41 10 10 ALA H H 7.886 0.01 1 42 10 10 ALA C C 180.527 0.2 1 43 10 10 ALA CA C 54.605 0.2 1 44 10 10 ALA CB C 16.906 0.2 1 45 10 10 ALA N N 121.034 0.2 1 46 11 11 GLU H H 7.791 0.01 1 47 11 11 GLU C C 179.827 0.2 1 48 11 11 GLU CA C 58.681 0.2 1 49 11 11 GLU CB C 28.526 0.2 1 50 11 11 GLU N N 119.685 0.2 1 51 12 12 PHE H H 8.735 0.01 1 52 12 12 PHE C C 178.127 0.2 1 53 12 12 PHE CA C 57.127 0.2 1 54 12 12 PHE CB C 36.067 0.2 1 55 12 12 PHE N N 120.202 0.2 1 56 13 13 LYS H H 9.14 0.01 1 57 13 13 LYS C C 177.927 0.2 1 58 13 13 LYS CA C 59.084 0.2 1 59 13 13 LYS CB C 30.573 0.2 1 60 13 13 LYS N N 124.004 0.2 1 61 14 14 GLU H H 7.656 0.01 1 62 14 14 GLU C C 178.827 0.2 1 63 14 14 GLU CA C 58.678 0.2 1 64 14 14 GLU CB C 28.513 0.2 1 65 14 14 GLU N N 119.632 0.2 1 66 15 15 ALA H H 7.818 0.01 1 67 15 15 ALA C C 177.427 0.2 1 68 15 15 ALA CA C 54.661 0.2 1 69 15 15 ALA CB C 16.615 0.2 1 70 15 15 ALA N N 121.567 0.2 1 71 16 16 PHE H H 8.832 0.01 1 72 16 16 PHE C C 176.727 0.2 1 73 16 16 PHE CA C 61.276 0.2 1 74 16 16 PHE CB C 38.585 0.2 1 75 16 16 PHE N N 119.177 0.2 1 76 17 17 SER H H 8.062 0.01 1 77 17 17 SER C C 173.827 0.2 1 78 17 17 SER CA C 60.794 0.2 1 79 17 17 SER CB C 62.617 0.2 1 80 17 17 SER N N 112.475 0.2 1 81 18 18 LEU H H 7.226 0.01 1 82 18 18 LEU C C 177.927 0.2 1 83 18 18 LEU CA C 56.64 0.2 1 84 18 18 LEU CB C 40.052 0.2 1 85 18 18 LEU N N 120.193 0.2 1 86 19 19 PHE H H 7.116 0.01 1 87 19 19 PHE C C 176.627 0.2 1 88 19 19 PHE CA C 60 0.2 1 89 19 19 PHE CB C 40.582 0.2 1 90 19 19 PHE N N 114.976 0.2 1 91 20 20 ASP H H 7.813 0.01 1 92 20 20 ASP C C 176.327 0.2 1 93 20 20 ASP CA C 51.684 0.2 1 94 20 20 ASP CB C 38.262 0.2 1 95 20 20 ASP N N 117.302 0.2 1 96 21 21 LYS H H 7.717 0.01 1 97 21 21 LYS C C 177.527 0.2 1 98 21 21 LYS CA C 57.669 0.2 1 99 21 21 LYS CB C 32.015 0.2 1 100 21 21 LYS N N 124.238 0.2 1 101 22 22 ASP H H 7.908 0.01 1 102 22 22 ASP C C 177.527 0.2 1 103 22 22 ASP CA C 51.933 0.2 1 104 22 22 ASP CB C 38.487 0.2 1 105 22 22 ASP N N 113.921 0.2 1 106 23 23 GLY H H 7.698 0.01 1 107 23 23 GLY C C 174.527 0.2 1 108 23 23 GLY CA C 46.258 0.2 1 109 23 23 GLY N N 109.462 0.2 1 110 24 24 ASP H H 8.36 0.01 1 111 24 24 ASP C C 176.627 0.2 1 112 24 24 ASP CA C 53.106 0.2 1 113 24 24 ASP CB C 39.319 0.2 1 114 24 24 ASP N N 120.783 0.2 1 115 25 25 GLY H H 10.551 0.01 1 116 25 25 GLY C C 173.027 0.2 1 117 25 25 GLY CA C 44.55 0.2 1 118 25 25 GLY N N 113.072 0.2 1 119 26 26 THR H H 8.047 0.01 1 120 26 26 THR C C 172.527 0.2 1 121 26 26 THR CA C 58.587 0.2 1 122 26 26 THR CB C 72.148 0.2 1 123 26 26 THR N N 111.01 0.2 1 124 27 27 ILE H H 9.902 0.01 1 125 27 27 ILE C C 175.427 0.2 1 126 27 27 ILE CA C 59.859 0.2 1 127 27 27 ILE CB C 38.75 0.2 1 128 27 27 ILE N N 126.407 0.2 1 129 28 28 THR H H 8.414 0.01 1 130 28 28 THR C C 176.127 0.2 1 131 28 28 THR CA C 58.834 0.2 1 132 28 28 THR CB C 71.835 0.2 1 133 28 28 THR N N 116.637 0.2 1 134 29 29 THR H H 9.309 0.01 1 135 29 29 THR C C 177.127 0.2 1 136 29 29 THR CA C 65.431 0.2 1 137 29 29 THR CB C 66.897 0.2 1 138 29 29 THR N N 111.908 0.2 1 139 30 30 LYS H H 7.49 0.01 1 140 30 30 LYS C C 179.027 0.2 1 141 30 30 LYS CA C 58.359 0.2 1 142 30 30 LYS CB C 31.539 0.2 1 143 30 30 LYS N N 121.62 0.2 1 144 31 31 GLU H H 7.644 0.01 1 145 31 31 GLU C C 178.427 0.2 1 146 31 31 GLU CA C 58.716 0.2 1 147 31 31 GLU CB C 28.97 0.2 1 148 31 31 GLU N N 122.636 0.2 1 149 32 32 LEU H H 8.619 0.01 1 150 32 32 LEU C C 177.927 0.2 1 151 32 32 LEU CA C 57.571 0.2 1 152 32 32 LEU CB C 42.334 0.2 1 153 32 32 LEU N N 120.838 0.2 1 154 33 33 GLY H H 8.583 0.01 1 155 33 33 GLY C C 174.327 0.2 1 156 33 33 GLY CA C 47.067 0.2 1 157 33 33 GLY N N 103.916 0.2 1 158 34 34 THR H H 8.04 0.01 1 159 34 34 THR C C 176.027 0.2 1 160 34 34 THR CA C 66.592 0.2 1 161 34 34 THR CB C 68.074 0.2 1 162 34 34 THR N N 117.79 0.2 1 163 35 35 VAL H H 7.226 0.01 1 164 35 35 VAL C C 177.327 0.2 1 165 35 35 VAL CA C 65.802 0.2 1 166 35 35 VAL CB C 30.507 0.2 1 167 35 35 VAL N N 122.226 0.2 1 168 36 36 MET H H 7.952 0.01 1 169 36 36 MET C C 178.127 0.2 1 170 36 36 MET CA C 59.609 0.2 1 171 36 36 MET CB C 31.699 0.2 1 172 36 36 MET N N 117.556 0.2 1 173 37 37 ARG H H 8.737 0.01 1 174 37 37 ARG C C 180.827 0.2 1 175 37 37 ARG CA C 57.992 0.2 1 176 37 37 ARG CB C 29.323 0.2 1 177 37 37 ARG N N 118.03 0.2 1 178 38 38 SER H H 7.945 0.01 1 179 38 38 SER C C 174.227 0.2 1 180 38 38 SER CA C 61.093 0.2 1 181 38 38 SER CB C 61.91 0.2 1 182 38 38 SER N N 119.275 0.2 1 183 39 39 LEU H H 7.248 0.01 1 184 39 39 LEU C C 176.627 0.2 1 185 39 39 LEU CA C 53.49 0.2 1 186 39 39 LEU CB C 41.032 0.2 1 187 39 39 LEU N N 119.197 0.2 1 188 40 40 GLY H H 7.717 0.01 1 189 40 40 GLY C C 173.827 0.2 1 190 40 40 GLY CA C 44.549 0.2 1 191 40 40 GLY N N 106.515 0.2 1 192 41 41 GLN H H 7.835 0.01 1 193 41 41 GLN C C 173.627 0.2 1 194 41 41 GLN CA C 53.902 0.2 1 195 41 41 GLN CB C 28.579 0.2 1 196 41 41 GLN N N 118.982 0.2 1 197 42 42 ASN H H 8.693 0.01 1 198 42 42 ASN CA C 50.733 0.2 1 199 42 42 ASN CB C 38.552 0.2 1 200 42 42 ASN N N 115.934 0.2 1 201 44 44 THR H H 8.839 0.01 1 202 44 44 THR C C 174.327 0.2 1 203 44 44 THR CA C 59.609 0.2 1 204 44 44 THR CB C 70.262 0.2 1 205 44 44 THR N N 113.413 0.2 1 206 45 45 GLU H H 8.722 0.01 1 207 45 45 GLU C C 178.027 0.2 1 208 45 45 GLU CA C 59.068 0.2 1 209 45 45 GLU CB C 27.897 0.2 1 210 45 45 GLU N N 120.619 0.2 1 211 46 46 ALA H H 8.199 0.01 1 212 46 46 ALA C C 178.727 0.2 1 213 46 46 ALA CA C 54.235 0.2 1 214 46 46 ALA CB C 17.041 0.2 1 215 46 46 ALA N N 120.358 0.2 1 216 47 47 GLU H H 7.673 0.01 1 217 47 47 GLU C C 179.227 0.2 1 218 47 47 GLU CA C 58.176 0.2 1 219 47 47 GLU CB C 28.326 0.2 1 220 47 47 GLU N N 118.476 0.2 1 221 48 48 LEU H H 8.195 0.01 1 222 48 48 LEU C C 178.027 0.2 1 223 48 48 LEU CA C 57.087 0.2 1 224 48 48 LEU CB C 41.889 0.2 1 225 48 48 LEU N N 120.696 0.2 1 226 49 49 GLN H H 8.207 0.01 1 227 49 49 GLN C C 178.027 0.2 1 228 49 49 GLN CA C 57.89 0.2 1 229 49 49 GLN CB C 27.257 0.2 1 230 49 49 GLN N N 117.931 0.2 1 231 50 50 ASP H H 7.968 0.01 1 232 50 50 ASP C C 177.827 0.2 1 233 50 50 ASP CA C 56.797 0.2 1 234 50 50 ASP CB C 39.335 0.2 1 235 50 50 ASP N N 120.467 0.2 1 236 51 51 MET H H 7.886 0.01 1 237 51 51 MET C C 178.027 0.2 1 238 51 51 MET CA C 58.333 0.2 1 239 51 51 MET CB C 31.661 0.2 1 240 51 51 MET N N 119.275 0.2 1 241 52 52 ILE H H 7.402 0.01 1 242 52 52 ILE C C 177.127 0.2 1 243 52 52 ILE CA C 64.401 0.2 1 244 52 52 ILE CB C 36.361 0.2 1 245 52 52 ILE N N 117.126 0.2 1 246 53 53 ASN H H 8.605 0.01 1 247 53 53 ASN C C 176.527 0.2 1 248 53 53 ASN CA C 55.219 0.2 1 249 53 53 ASN CB C 37.302 0.2 1 250 53 53 ASN N N 117.849 0.2 1 251 54 54 GLU H H 7.365 0.01 1 252 54 54 GLU C C 176.827 0.2 1 253 54 54 GLU CA C 58.21 0.2 1 254 54 54 GLU CB C 29.466 0.2 1 255 54 54 GLU N N 115.836 0.2 1 256 55 55 VAL H H 7.123 0.01 1 257 55 55 VAL C C 174.627 0.2 1 258 55 55 VAL CA C 59.475 0.2 1 259 55 55 VAL CB C 31.673 0.2 1 260 55 55 VAL N N 107.141 0.2 1 261 56 56 ASP H H 7.424 0.01 1 262 56 56 ASP C C 175.127 0.2 1 263 56 56 ASP CA C 53.254 0.2 1 264 56 56 ASP CB C 39.528 0.2 1 265 56 56 ASP N N 121.933 0.2 1 266 57 57 ALA H H 8.678 0.01 1 267 57 57 ALA C C 178.027 0.2 1 268 57 57 ALA CA C 53.19 0.2 1 269 57 57 ALA CB C 18.507 0.2 1 270 57 57 ALA N N 132.055 0.2 1 271 58 58 ASP H H 8.244 0.01 1 272 58 58 ASP C C 177.127 0.2 1 273 58 58 ASP CA C 52.058 0.2 1 274 58 58 ASP CB C 38.825 0.2 1 275 58 58 ASP N N 114.086 0.2 1 276 59 59 GLY H H 7.482 0.01 1 277 59 59 GLY C C 174.127 0.2 1 278 59 59 GLY CA C 46.419 0.2 1 279 59 59 GLY N N 108.805 0.2 1 280 60 60 ASP H H 8.213 0.01 1 281 60 60 ASP C C 176.727 0.2 1 282 60 60 ASP CA C 53.044 0.2 1 283 60 60 ASP CB C 40.02 0.2 1 284 60 60 ASP N N 120.691 0.2 1 285 61 61 GLY H H 10.416 0.01 1 286 61 61 GLY C C 172.727 0.2 1 287 61 61 GLY CA C 44.86 0.2 1 288 61 61 GLY N N 113.081 0.2 1 289 62 62 THR H H 8.238 0.01 1 290 62 62 THR C C 172.527 0.2 1 291 62 62 THR CA C 59.434 0.2 1 292 62 62 THR CB C 71.197 0.2 1 293 62 62 THR N N 111.947 0.2 1 294 63 63 ILE H H 8.942 0.01 1 295 63 63 ILE C C 175.127 0.2 1 296 63 63 ILE CA C 59.412 0.2 1 297 63 63 ILE CB C 39.525 0.2 1 298 63 63 ILE N N 122.617 0.2 1 299 64 64 ASP H H 8.986 0.01 1 300 64 64 ASP C C 175.727 0.2 1 301 64 64 ASP CA C 51.309 0.2 1 302 64 64 ASP CB C 40.135 0.2 1 303 64 64 ASP N N 129.221 0.2 1 304 65 65 PHE H H 8.776 0.01 1 305 65 65 PHE CA C 62.521 0.2 1 306 65 65 PHE CB C 34.795 0.2 1 307 65 65 PHE N N 117.858 0.2 1 308 67 67 GLU H H 8.135 0.01 1 309 67 67 GLU C C 178.127 0.2 1 310 67 67 GLU CA C 58.129 0.2 1 311 67 67 GLU CB C 27.888 0.2 1 312 67 67 GLU N N 118.454 0.2 1 313 68 68 PHE H H 8.983 0.01 1 314 68 68 PHE C C 176.827 0.2 1 315 68 68 PHE CA C 60.476 0.2 1 316 68 68 PHE CB C 39.233 0.2 1 317 68 68 PHE N N 124.204 0.2 1 318 69 69 LEU H H 8.399 0.01 1 319 69 69 LEU C C 178.827 0.2 1 320 69 69 LEU CA C 57.113 0.2 1 321 69 69 LEU CB C 39.945 0.2 1 322 69 69 LEU N N 118.767 0.2 1 323 70 70 THR H H 7.635 0.01 1 324 70 70 THR C C 175.327 0.2 1 325 70 70 THR CA C 66.045 0.2 1 326 70 70 THR CB C 67.415 0.2 1 327 70 70 THR N N 116.269 0.2 1 328 71 71 MET H H 7.799 0.01 1 329 71 71 MET C C 177.627 0.2 1 330 71 71 MET CA C 58.602 0.2 1 331 71 71 MET CB C 32.82 0.2 1 332 71 71 MET N N 122.451 0.2 1 333 72 72 MET H H 8.048 0.01 1 334 72 72 MET C C 177.527 0.2 1 335 72 72 MET CA C 55.541 0.2 1 336 72 72 MET CB C 30.071 0.2 1 337 72 72 MET N N 117.476 0.2 1 338 73 73 ALA H H 8.363 0.01 1 339 73 73 ALA C C 179.627 0.2 1 340 73 73 ALA CA C 54.227 0.2 1 341 73 73 ALA CB C 16.915 0.2 1 342 73 73 ALA N N 122.597 0.2 1 343 74 74 ARG H H 7.963 0.01 1 344 74 74 ARG C C 177.227 0.2 1 345 74 74 ARG CA C 58.364 0.2 1 346 74 74 ARG CB C 29.093 0.2 1 347 74 74 ARG N N 118.361 0.2 1 348 75 75 LYS H H 7.49 0.01 1 349 75 75 LYS C C 177.227 0.2 1 350 75 75 LYS CA C 58.083 0.2 1 351 75 75 LYS CB C 30.415 0.2 1 352 75 75 LYS N N 119.177 0.2 1 353 76 76 MET H H 7.703 0.01 1 354 76 76 MET C C 176.627 0.2 1 355 76 76 MET CA C 57.108 0.2 1 356 76 76 MET CB C 32.132 0.2 1 357 76 76 MET N N 116.872 0.2 1 358 77 77 LYS H H 7.446 0.01 1 359 77 77 LYS C C 176.627 0.2 1 360 77 77 LYS CA C 56.947 0.2 1 361 77 77 LYS CB C 31.801 0.2 1 362 77 77 LYS N N 118.22 0.2 1 363 78 78 ASP H H 7.835 0.01 1 364 78 78 ASP C C 175.527 0.2 1 365 78 78 ASP CA C 54.206 0.2 1 366 78 78 ASP CB C 40.757 0.2 1 367 78 78 ASP N N 117.985 0.2 1 368 79 79 THR H H 7.424 0.01 1 369 79 79 THR C C 172.827 0.2 1 370 79 79 THR CA C 61.103 0.2 1 371 79 79 THR CB C 69.952 0.2 1 372 79 79 THR N N 113.042 0.2 1 373 80 80 ASP H H 8.619 0.01 1 374 80 80 ASP C C 175.727 0.2 1 375 80 80 ASP CA C 52.771 0.2 1 376 80 80 ASP CB C 41.264 0.2 1 377 80 80 ASP N N 124.903 0.2 1 378 81 81 SER H H 8.679 0.01 1 379 81 81 SER C C 175.027 0.2 1 380 81 81 SER CA C 60.318 0.2 1 381 81 81 SER CB C 62.621 0.2 1 382 81 81 SER N N 120.845 0.2 1 383 82 82 GLU H H 8.289 0.01 1 384 82 82 GLU C C 178.027 0.2 1 385 82 82 GLU CA C 58.844 0.2 1 386 82 82 GLU CB C 28.305 0.2 1 387 82 82 GLU N N 121.405 0.2 1 388 83 83 GLU H H 8.047 0.01 1 389 83 83 GLU C C 177.827 0.2 1 390 83 83 GLU CA C 58.356 0.2 1 391 83 83 GLU CB C 28.549 0.2 1 392 83 83 GLU N N 119.959 0.2 1 393 84 84 GLU H H 8.297 0.01 1 394 84 84 GLU C C 179.527 0.2 1 395 84 84 GLU CA C 58.656 0.2 1 396 84 84 GLU CB C 28.979 0.2 1 397 84 84 GLU N N 118.025 0.2 1 398 85 85 ILE H H 8.249 0.01 1 399 85 85 ILE C C 177.127 0.2 1 400 85 85 ILE CA C 65.812 0.2 1 401 85 85 ILE CB C 36.713 0.2 1 402 85 85 ILE N N 121.515 0.2 1 403 86 86 ARG H H 8.245 0.01 1 404 86 86 ARG C C 178.627 0.2 1 405 86 86 ARG CA C 59.659 0.2 1 406 86 86 ARG CB C 29.02 0.2 1 407 86 86 ARG N N 122.46 0.2 1 408 87 87 GLU H H 8.524 0.01 1 409 87 87 GLU C C 178.927 0.2 1 410 87 87 GLU CA C 58.042 0.2 1 411 87 87 GLU CB C 28.255 0.2 1 412 87 87 GLU N N 117.399 0.2 1 413 88 88 ALA H H 8.176 0.01 1 414 88 88 ALA C C 178.327 0.2 1 415 88 88 ALA CA C 54.443 0.2 1 416 88 88 ALA CB C 17.882 0.2 1 417 88 88 ALA N N 121.038 0.2 1 418 89 89 PHE H H 8.854 0.01 1 419 89 89 PHE C C 175.727 0.2 1 420 89 89 PHE CA C 61.807 0.2 1 421 89 89 PHE CB C 38.044 0.2 1 422 89 89 PHE N N 120.154 0.2 1 423 90 90 ARG H H 7.527 0.01 1 424 90 90 ARG C C 176.527 0.2 1 425 90 90 ARG CA C 57.87 0.2 1 426 90 90 ARG CB C 29.177 0.2 1 427 90 90 ARG N N 114.664 0.2 1 428 91 91 VAL H H 7.204 0.01 1 429 91 91 VAL C C 176.227 0.2 1 430 91 91 VAL CA C 64.71 0.2 1 431 91 91 VAL CB C 30.531 0.2 1 432 91 91 VAL N N 117.516 0.2 1 433 92 92 PHE H H 7.214 0.01 1 434 92 92 PHE C C 176.327 0.2 1 435 92 92 PHE CA C 60.029 0.2 1 436 92 92 PHE CB C 40.286 0.2 1 437 92 92 PHE N N 116.066 0.2 1 438 93 93 ASP H H 7.923 0.01 1 439 93 93 ASP C C 176.327 0.2 1 440 93 93 ASP CA C 51.148 0.2 1 441 93 93 ASP CB C 37.761 0.2 1 442 93 93 ASP N N 115.973 0.2 1 443 94 94 LYS H H 7.402 0.01 1 444 94 94 LYS C C 177.527 0.2 1 445 94 94 LYS CA C 58.357 0.2 1 446 94 94 LYS CB C 31.98 0.2 1 447 94 94 LYS N N 125.391 0.2 1 448 95 95 ASP H H 8.232 0.01 1 449 95 95 ASP C C 177.127 0.2 1 450 95 95 ASP CA C 52.218 0.2 1 451 95 95 ASP CB C 38.825 0.2 1 452 95 95 ASP N N 113.848 0.2 1 453 96 96 GLY H H 7.805 0.01 1 454 96 96 GLY C C 174.427 0.2 1 455 96 96 GLY CA C 46.239 0.2 1 456 96 96 GLY N N 109.407 0.2 1 457 97 97 ASN H H 8.333 0.01 1 458 97 97 ASN C C 175.327 0.2 1 459 97 97 ASN CA C 51.863 0.2 1 460 97 97 ASN CB C 37.309 0.2 1 461 97 97 ASN N N 119.822 0.2 1 462 98 98 GLY H H 10.65 0.01 1 463 98 98 GLY C C 171.927 0.2 1 464 98 98 GLY CA C 44.059 0.2 1 465 98 98 GLY N N 112.885 0.2 1 466 99 99 TYR H H 7.615 0.01 1 467 99 99 TYR C C 173.927 0.2 1 468 99 99 TYR CA C 55.364 0.2 1 469 99 99 TYR CB C 42.002 0.2 1 470 99 99 TYR N N 116.069 0.2 1 471 100 100 ILE H H 10.174 0.01 1 472 100 100 ILE C C 175.727 0.2 1 473 100 100 ILE CA C 60.478 0.2 1 474 100 100 ILE CB C 38.405 0.2 1 475 100 100 ILE N N 127.423 0.2 1 476 101 101 SER H H 8.953 0.01 1 477 101 101 SER C C 174.527 0.2 1 478 101 101 SER CA C 55.023 0.2 1 479 101 101 SER CB C 66.028 0.2 1 480 101 101 SER N N 124.135 0.2 1 481 102 102 ALA H H 9.294 0.01 1 482 102 102 ALA C C 178.527 0.2 1 483 102 102 ALA CA C 55.207 0.2 1 484 102 102 ALA CB C 16.907 0.2 1 485 102 102 ALA N N 123.007 0.2 1 486 103 103 ALA H H 8.245 0.01 1 487 103 103 ALA C C 180.827 0.2 1 488 103 103 ALA CA C 54.428 0.2 1 489 103 103 ALA CB C 17.252 0.2 1 490 103 103 ALA N N 118.533 0.2 1 491 104 104 GLU H H 7.908 0.01 1 492 104 104 GLU C C 178.827 0.2 1 493 104 104 GLU CA C 58.417 0.2 1 494 104 104 GLU CB C 27.904 0.2 1 495 104 104 GLU N N 120.428 0.2 1 496 105 105 LEU H H 8.627 0.01 1 497 105 105 LEU C C 177.527 0.2 1 498 105 105 LEU CA C 57.085 0.2 1 499 105 105 LEU CB C 41.406 0.2 1 500 105 105 LEU N N 121.835 0.2 1 501 106 106 ARG H H 8.795 0.01 1 502 106 106 ARG CA C 59.236 0.2 1 503 106 106 ARG CB C 29.186 0.2 1 504 106 106 ARG N N 118.493 0.2 1 505 107 107 HIS H H 7.899 0.01 1 506 107 107 HIS C C 176.427 0.2 1 507 107 107 HIS CA C 59.463 0.2 1 508 107 107 HIS CB C 29.521 0.2 1 509 107 107 HIS N N 119.839 0.2 1 510 108 108 VAL H H 7.739 0.01 1 511 108 108 VAL C C 176.727 0.2 1 512 108 108 VAL CA C 66.14 0.2 1 513 108 108 VAL CB C 30.578 0.2 1 514 108 108 VAL N N 118.572 0.2 1 515 109 109 MET H H 8.179 0.01 1 516 109 109 MET C C 178.127 0.2 1 517 109 109 MET CA C 56.313 0.2 1 518 109 109 MET CB C 28.832 0.2 1 519 109 109 MET N N 114.976 0.2 1 520 110 110 THR H H 8.414 0.01 1 521 110 110 THR C C 177.527 0.2 1 522 110 110 THR CA C 65.687 0.2 1 523 110 110 THR CB C 67.916 0.2 1 524 110 110 THR N N 115.367 0.2 1 525 111 111 ASN H H 7.915 0.01 1 526 111 111 ASN C C 175.727 0.2 1 527 111 111 ASN CA C 55.174 0.2 1 528 111 111 ASN CB C 36.462 0.2 1 529 111 111 ASN N N 123.242 0.2 1 530 112 112 LEU H H 7.703 0.01 1 531 112 112 LEU C C 175.527 0.2 1 532 112 112 LEU CA C 54.937 0.2 1 533 112 112 LEU CB C 41.108 0.2 1 534 112 112 LEU N N 117.399 0.2 1 535 113 113 GLY H H 7.483 0.01 1 536 113 113 GLY C C 173.427 0.2 1 537 113 113 GLY CA C 43.885 0.2 1 538 113 113 GLY N N 103.955 0.2 1 539 114 114 GLU H H 7.814 0.01 1 540 114 114 GLU C C 173.827 0.2 1 541 114 114 GLU CA C 54.125 0.2 1 542 114 114 GLU CB C 29.489 0.2 1 543 114 114 GLU N N 122.469 0.2 1 544 115 115 LYS H H 8.319 0.01 1 545 115 115 LYS C C 174.627 0.2 1 546 115 115 LYS CA C 54.918 0.2 1 547 115 115 LYS CB C 30.582 0.2 1 548 115 115 LYS N N 125.723 0.2 1 549 116 116 LEU H H 7.967 0.01 1 550 116 116 LEU C C 177.127 0.2 1 551 116 116 LEU CA C 53.261 0.2 1 552 116 116 LEU CB C 43.293 0.2 1 553 116 116 LEU N N 125.254 0.2 1 554 117 117 THR H H 9.228 0.01 1 555 117 117 THR C C 174.827 0.2 1 556 117 117 THR CA C 59.926 0.2 1 557 117 117 THR CB C 70.382 0.2 1 558 117 117 THR N N 114.585 0.2 1 559 118 118 ASP H H 8.891 0.01 1 560 118 118 ASP C C 178.027 0.2 1 561 118 118 ASP CA C 57.263 0.2 1 562 118 118 ASP CB C 38.715 0.2 1 563 118 118 ASP N N 121.112 0.2 1 564 119 119 GLU H H 8.597 0.01 1 565 119 119 GLU C C 178.427 0.2 1 566 119 119 GLU CA C 59.141 0.2 1 567 119 119 GLU CB C 28.028 0.2 1 568 119 119 GLU N N 119.568 0.2 1 569 120 120 GLU H H 7.673 0.01 1 570 120 120 GLU C C 179.427 0.2 1 571 120 120 GLU CA C 58.37 0.2 1 572 120 120 GLU CB C 29.605 0.2 1 573 120 120 GLU N N 120.467 0.2 1 574 121 121 VAL H H 8.055 0.01 1 575 121 121 VAL C C 176.627 0.2 1 576 121 121 VAL CA C 66.296 0.2 1 577 121 121 VAL CB C 30.271 0.2 1 578 121 121 VAL N N 122.167 0.2 1 579 122 122 ASP H H 7.915 0.01 1 580 122 122 ASP C C 178.327 0.2 1 581 122 122 ASP CA C 56.913 0.2 1 582 122 122 ASP CB C 39.534 0.2 1 583 122 122 ASP N N 119.842 0.2 1 584 123 123 GLU H H 8.143 0.01 1 585 123 123 GLU C C 177.927 0.2 1 586 123 123 GLU CA C 58.615 0.2 1 587 123 123 GLU CB C 28.686 0.2 1 588 123 123 GLU N N 119.666 0.2 1 589 124 124 MET H H 7.653 0.01 1 590 124 124 MET C C 179.627 0.2 1 591 124 124 MET CA C 59.324 0.2 1 592 124 124 MET N N 119.32 0.2 1 593 125 125 ILE H H 8.159 0.01 1 594 125 125 ILE C C 177.027 0.2 1 595 125 125 ILE CA C 63.23 0.2 1 596 125 125 ILE CB C 34.965 0.2 1 597 125 125 ILE N N 120.314 0.2 1 598 126 126 ARG H H 8.517 0.01 1 599 126 126 ARG C C 178.027 0.2 1 600 126 126 ARG CA C 58.977 0.2 1 601 126 126 ARG CB C 29.179 0.2 1 602 126 126 ARG N N 118.454 0.2 1 603 127 127 GLU H H 7.886 0.01 1 604 127 127 GLU C C 176.127 0.2 1 605 127 127 GLU CA C 58.048 0.2 1 606 127 127 GLU CB C 29.199 0.2 1 607 127 127 GLU N N 116.598 0.2 1 608 128 128 ALA H H 7.079 0.01 1 609 128 128 ALA CA C 50.587 0.2 1 610 128 128 ALA CB C 20.931 0.2 1 611 128 128 ALA N N 117.262 0.2 1 612 129 129 ASP H H 8.01 0.01 1 613 129 129 ASP C C 175.027 0.2 1 614 129 129 ASP CA C 53.579 0.2 1 615 129 129 ASP CB C 39.835 0.2 1 616 129 129 ASP N N 117.874 0.2 1 617 130 130 ILE H H 8.209 0.01 1 618 130 130 ILE C C 177.127 0.2 1 619 130 130 ILE CA C 62.753 0.2 1 620 130 130 ILE CB C 37.941 0.2 1 621 130 130 ILE N N 128.107 0.2 1 622 131 131 ASP H H 8.275 0.01 1 623 131 131 ASP C C 176.927 0.2 1 624 131 131 ASP CA C 53.102 0.2 1 625 131 131 ASP CB C 38.984 0.2 1 626 131 131 ASP N N 116.52 0.2 1 627 132 132 GLY H H 7.56 0.01 1 628 132 132 GLY C C 174.327 0.2 1 629 132 132 GLY CA C 46.504 0.2 1 630 132 132 GLY N N 108.682 0.2 1 631 133 133 ASP H H 8.307 0.01 1 632 133 133 ASP C C 176.827 0.2 1 633 133 133 ASP CA C 52.875 0.2 1 634 133 133 ASP CB C 39.29 0.2 1 635 133 133 ASP N N 120.785 0.2 1 636 134 134 GLY H H 10.24 0.01 1 637 134 134 GLY C C 172.027 0.2 1 638 134 134 GLY CA C 45.014 0.2 1 639 134 134 GLY N N 112.651 0.2 1 640 135 135 GLN H H 7.952 0.01 1 641 135 135 GLN C C 174.227 0.2 1 642 135 135 GLN CA C 52.404 0.2 1 643 135 135 GLN CB C 31.559 0.2 1 644 135 135 GLN N N 115.172 0.2 1 645 136 136 VAL H H 9.059 0.01 1 646 136 136 VAL C C 174.927 0.2 1 647 136 136 VAL CA C 60.977 0.2 1 648 136 136 VAL CB C 32.935 0.2 1 649 136 136 VAL N N 125.528 0.2 1 650 137 137 ASN H H 9.484 0.01 1 651 137 137 ASN C C 173.827 0.2 1 652 137 137 ASN CA C 50.105 0.2 1 653 137 137 ASN CB C 37.589 0.2 1 654 137 137 ASN N N 129.221 0.2 1 655 138 138 TYR H H 8.192 0.01 1 656 138 138 TYR C C 175.327 0.2 1 657 138 138 TYR CA C 61.498 0.2 1 658 138 138 TYR CB C 36.841 0.2 1 659 138 138 TYR N N 118.191 0.2 1 660 139 139 GLU H H 8.011 0.01 1 661 139 139 GLU C C 179.427 0.2 1 662 139 139 GLU CA C 59.441 0.2 1 663 139 139 GLU CB C 27.716 0.2 1 664 139 139 GLU N N 118.318 0.2 1 665 140 140 GLU H H 8.644 0.01 1 666 140 140 GLU C C 178.527 0.2 1 667 140 140 GLU CA C 57.804 0.2 1 668 140 140 GLU CB C 28.373 0.2 1 669 140 140 GLU N N 119.832 0.2 1 670 141 141 PHE H H 8.377 0.01 1 671 141 141 PHE C C 175.927 0.2 1 672 141 141 PHE CA C 61.037 0.2 1 673 141 141 PHE CB C 39.224 0.2 1 674 141 141 PHE N N 124.082 0.2 1 675 142 142 VAL H H 8.634 0.01 1 676 142 142 VAL C C 179.727 0.2 1 677 142 142 VAL CA C 66.209 0.2 1 678 142 142 VAL CB C 30.518 0.2 1 679 142 142 VAL N N 119.177 0.2 1 680 143 143 GLN H H 7.663 0.01 1 681 143 143 GLN C C 177.127 0.2 1 682 143 143 GLN CA C 58.205 0.2 1 683 143 143 GLN CB C 26.975 0.2 1 684 143 143 GLN N N 118.56 0.2 1 685 144 144 MET H H 7.248 0.01 1 686 144 144 MET C C 176.627 0.2 1 687 144 144 MET CA C 55.762 0.2 1 688 144 144 MET CB C 30.145 0.2 1 689 144 144 MET N N 116.5 0.2 1 690 145 145 MET H H 7.412 0.01 1 691 145 145 MET C C 176.727 0.2 1 692 145 145 MET CA C 54.269 0.2 1 693 145 145 MET CB C 29.8 0.2 1 694 145 145 MET N N 113.042 0.2 1 695 146 146 THR H H 7.453 0.01 1 696 146 146 THR C C 173.527 0.2 1 697 146 146 THR CA C 61.161 0.2 1 698 146 146 THR CB C 69.528 0.2 1 699 146 146 THR N N 109.251 0.2 1 700 147 147 ALA H H 7.395 0.01 1 701 147 147 ALA C C 176.027 0.2 1 702 147 147 ALA CA C 51.981 0.2 1 703 147 147 ALA CB C 17.998 0.2 1 704 147 147 ALA N N 126.74 0.2 1 705 148 148 LYS H H 7.952 0.01 1 706 148 148 LYS C C 176.027 0.2 1 707 148 148 LYS CA C 56.947 0.2 1 708 148 148 LYS CB C 32.579 0.2 1 709 148 148 LYS N N 126.74 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $TOPSPIN 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 2 ASP N 1.48 0.04 2 3 GLN N 1.51 0.04 3 5 THR N 1.11 0.03 4 6 GLU N 1.22 0.03 5 7 GLU N 1.11 0.03 6 9 ILE N 1.12 0.04 7 10 ALA N 1.17 0.03 8 11 GLU N 1.12 0.03 9 12 PHE N 1.10 0.03 10 13 LYS N 1.10 0.03 11 16 PHE N 0.98 0.02 12 17 SER N 1.09 0.03 13 18 LEU N 1.14 0.03 14 19 PHE N 1.08 0.03 15 20 ASP N 1.08 0.04 16 21 LYS N 1.09 0.03 17 22 ASP N 1.10 0.03 18 23 GLY N 1.15 0.03 19 24 ASP N 1.12 0.03 20 25 GLY N 1.05 0.07 21 26 THR N 1.13 0.03 22 27 ILE N 0.96 0.03 23 29 THR N 1.03 0.03 24 30 LYS N 1.22 0.03 25 31 GLU N 0.98 0.02 26 32 LEU N 1.03 0.04 27 33 GLY N 1.02 0.03 28 35 VAL N 1.07 0.04 29 37 ARG N 1.13 0.08 30 38 SER N 1.15 0.03 31 39 LEU N 1.05 0.03 32 40 GLY N 1.09 0.03 33 41 GLN N 1.16 0.03 34 42 ASN N 1.27 0.05 35 44 THR N 1.05 0.03 36 45 GLU N 1.12 0.03 37 49 GLN N 1.10 0.03 38 50 ASP N 1.09 0.03 39 52 ILE N 1.06 0.03 40 53 ASN N 1.01 0.04 41 54 GLU N 1.03 0.03 42 55 VAL N 1.09 0.03 43 56 ASP N 1.05 0.03 44 57 ALA N 0.75 0.02 45 58 ASP N 1.01 0.03 46 61 GLY N 1.11 0.04 47 62 THR N 1.13 0.03 48 63 ILE N 1.11 0.04 49 64 ASP N 1.01 0.03 50 68 PHE N 1.62 0.05 51 69 LEU N 1.17 0.03 52 75 LYS N 1.13 0.03 53 76 MET N 1.19 0.03 54 77 LYS N 1.18 0.03 55 78 ASP N 1.26 0.10 56 80 ASP N 1.37 0.04 57 82 GLU N 1.42 0.04 58 83 GLU N 1.10 0.03 59 85 ILE N 1.19 0.05 60 87 GLU N 1.11 0.04 61 88 ALA N 1.25 0.03 62 89 PHE N 1.09 0.04 63 90 ARG N 1.07 0.03 64 91 VAL N 1.03 0.05 65 92 PHE N 1.06 0.04 66 93 ASP N 0.98 0.03 67 94 LYS N 0.95 0.02 68 95 ASP N 1.11 0.03 69 96 GLY N 1.09 0.03 70 97 ASN N 1.19 0.03 71 98 GLY N 0.98 0.04 72 100 ILE N 1.02 0.03 73 101 SER N 1.16 0.05 74 102 ALA N 0.99 0.02 75 103 ALA N 1.08 0.03 76 104 GLU N 1.15 0.06 77 105 LEU N 0.99 0.02 78 106 ARG N 1.06 0.05 79 108 VAL N 1.11 0.06 80 109 MET N 1.04 0.03 81 110 THR N 1.12 0.03 82 111 ASN N 1.11 0.03 83 112 LEU N 1.03 0.04 84 113 GLY N 1.04 0.03 85 115 LYS N 1.16 0.03 86 116 LEU N 1.04 0.03 87 117 THR N 1.03 0.04 88 118 ASP N 1.33 0.05 89 119 GLU N 1.15 0.08 90 120 GLU N 1.23 0.03 91 121 VAL N 1.16 0.03 92 123 GLU N 1.12 0.03 93 125 ILE N 1.17 0.04 94 126 ARG N 1.03 0.03 95 127 GLU N 1.10 0.03 96 128 ALA N 1.04 0.03 97 130 ILE N 0.78 0.02 98 131 ASP N 1.04 0.03 99 132 GLY N 0.93 0.02 100 133 ASP N 1.12 0.03 101 134 GLY N 1.05 0.03 102 135 GLN N 1.09 0.03 103 136 VAL N 1.05 0.15 104 137 ASN N 1.23 0.04 105 140 GLU N 1.03 0.03 106 141 PHE N 1.06 0.03 107 142 VAL N 1.11 0.03 108 144 MET N 1.13 0.03 109 147 ALA N 1.34 0.04 110 148 LYS N 1.11 0.03 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $TOPSPIN 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 2 ASP N 7.63 0.30 . . 2 3 GLN N 8.23 0.32 . . 3 5 THR N 11.92 0.47 . . 4 6 GLU N 13.76 0.55 . . 5 7 GLU N 15.27 0.61 . . 6 9 ILE N 14.61 0.58 . . 7 10 ALA N 15.24 0.60 . . 8 11 GLU N 14.14 0.56 . . 9 12 PHE N 14.72 0.58 . . 10 13 LYS N 13.50 0.54 . . 11 16 PHE N 15.62 0.62 . . 12 17 SER N 13.18 0.52 . . 13 18 LEU N 15.18 0.60 . . 14 19 PHE N 13.26 0.53 . . 15 20 ASP N 14.89 0.59 . . 16 21 LYS N 12.83 0.51 . . 17 22 ASP N 13.96 0.55 . . 18 23 GLY N 16.14 0.64 . . 19 24 ASP N 14.90 0.59 . . 20 25 GLY N 14.42 0.57 . . 21 26 THR N 14.43 0.57 . . 22 27 ILE N 14.21 0.56 . . 23 29 THR N 14.17 0.56 . . 24 30 LYS N 15.59 0.62 . . 25 31 GLU N 16.04 0.64 . . 26 32 LEU N 17.50 0.70 . . 27 33 GLY N 15.59 0.62 . . 28 35 VAL N 17.28 0.69 . . 29 37 ARG N 15.33 0.61 . . 30 38 SER N 16.43 0.65 . . 31 39 LEU N 17.43 0.69 . . 32 40 GLY N 14.01 0.56 . . 33 41 GLN N 14.56 0.58 . . 34 42 ASN N 11.73 0.46 . . 35 44 THR N 13.88 0.55 . . 36 45 GLU N 15.04 0.60 . . 37 49 GLN N 14.46 0.57 . . 38 50 ASP N 14.40 0.57 . . 39 52 ILE N 14.53 0.58 . . 40 53 ASN N 14.08 0.56 . . 41 54 GLU N 14.26 0.57 . . 42 55 VAL N 15.70 0.62 . . 43 56 ASP N 12.91 0.51 . . 44 57 ALA N 9.70 0.388 . . 45 58 ASP N 13.68 0.54 . . 46 61 GLY N 14.48 0.57 . . 47 62 THR N 15.23 0.60 . . 48 63 ILE N 14.97 0.59 . . 49 64 ASP N 18.04 0.72 . . 50 68 PHE N 7.28 0.291 . . 51 69 LEU N 16.52 0.66 . . 52 75 LYS N 14.39 0.57 . . 53 76 MET N 16.73 0.66 . . 54 77 LYS N 14.25 0.57 . . 55 78 ASP N 14.43 0.57 . . 56 80 ASP N 12.91 0.51 . . 57 82 GLU N 16.20 0.64 . . 58 83 GLU N 15.11 0.60 . . 59 85 ILE N 12.22 0.48 . . 60 87 GLU N 16.91 0.67 . . 61 88 ALA N 13.57 0.54 . . 62 89 PHE N 16.02 0.64 . . 63 90 ARG N 15.30 0.61 . . 64 91 VAL N 14.62 0.58 . . 65 92 PHE N 15.38 0.61 . . 66 93 ASP N 15.18 0.60 . . 67 94 LYS N 13.26 0.53 . . 68 95 ASP N 14.00 0.56 . . 69 96 GLY N 16.46 0.65 . . 70 97 ASN N 15.16 0.60 . . 71 98 GLY N 16.12 0.64 . . 72 100 ILE N 13.32 0.53 . . 73 101 SER N 13.07 0.52 . . 74 102 ALA N 15.90 0.63 . . 75 103 ALA N 16.33 0.65 . . 76 104 GLU N 15.25 0.61 . . 77 105 LEU N 16.40 0.65 . . 78 106 ARG N 16.74 0.66 . . 79 108 VAL N 16.90 0.67 . . 80 109 MET N 15.17 0.60 . . 81 110 THR N 16.85 0.67 . . 82 111 ASN N 16.21 0.64 . . 83 112 LEU N 16.53 0.66 . . 84 113 GLY N 12.86 0.51 . . 85 115 LYS N 10.29 0.41 . . 86 116 LEU N 9.18 0.367 . . 87 117 THR N 12.70 0.50 . . 88 118 ASP N 14.91 0.59 . . 89 119 GLU N 13.84 0.55 . . 90 120 GLU N 15.23 0.60 . . 91 121 VAL N 15.14 0.60 . . 92 123 GLU N 14.34 0.57 . . 93 125 ILE N 13.48 0.53 . . 94 126 ARG N 14.25 0.57 . . 95 127 GLU N 15.50 0.62 . . 96 128 ALA N 14.78 0.59 . . 97 130 ILE N 10.74 0.42 . . 98 131 ASP N 15.26 0.61 . . 99 132 GLY N 15.26 0.61 . . 100 133 ASP N 15.28 0.61 . . 101 134 GLY N 13.64 0.54 . . 102 135 GLN N 15.13 0.60 . . 103 136 VAL N 13.73 0.54 . . 104 137 ASN N 13.14 0.52 . . 105 140 GLU N 14.67 0.58 . . 106 141 PHE N 15.67 0.62 . . 107 142 VAL N 15.86 0.63 . . 108 144 MET N 15.57 0.62 . . 109 147 ALA N 12.37 0.49 . . 110 148 LYS N 7.96 0.31 . . stop_ save_