data_19036 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the complex of an N-terminally acetylated alpha-synuclein peptide with calmodulin ; _BMRB_accession_number 19036 _BMRB_flat_file_name bmr19036.str _Entry_type original _Submission_date 2013-02-13 _Accession_date 2013-02-13 _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 Gruschus James M. . 2 Yap 'Thai Leong' . . 3 Pistolesi Sara . . 4 Maltsev Alexander S. . 5 Lee Jennifer C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 341 "13C chemical shifts" 308 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-09 update BMRB 'update entry citation' 2013-05-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of Calmodulin Complexed to an N-Terminally Acetylated -Synuclein Peptide.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23607618 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gruschus James M. . 2 Yap 'Thai Leong' . . 3 Pistolesi Sara . . 4 Maltsev Alexander S. . 5 Lee Jennifer C. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 52 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3436 _Page_last 3445 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Calmodulin/a-syn peptide complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calmodulin $calmodulin peptide $peptide 'ACETYL GROUP' $entity_ACE 'CALCIUM ION_1' $entity_CA 'CALCIUM ION_2' $entity_CA 'CALCIUM ION_3' $entity_CA 'CALCIUM ION_4' $entity_CA stop_ _System_molecular_weight . _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 16721.465 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 GLN 4 4 LEU 5 5 THR 6 6 GLU 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ALA 11 11 GLU 12 12 PHE 13 13 LYS 14 14 GLU 15 15 ALA 16 16 PHE 17 17 SER 18 18 LEU 19 19 PHE 20 20 ASP 21 21 LYS 22 22 ASP 23 23 GLY 24 24 ASP 25 25 GLY 26 26 THR 27 27 ILE 28 28 THR 29 29 THR 30 30 LYS 31 31 GLU 32 32 LEU 33 33 GLY 34 34 THR 35 35 VAL 36 36 MET 37 37 ARG 38 38 SER 39 39 LEU 40 40 GLY 41 41 GLN 42 42 ASN 43 43 PRO 44 44 THR 45 45 GLU 46 46 ALA 47 47 GLU 48 48 LEU 49 49 GLN 50 50 ASP 51 51 MET 52 52 ILE 53 53 ASN 54 54 GLU 55 55 VAL 56 56 ASP 57 57 ALA 58 58 ASP 59 59 GLY 60 60 ASN 61 61 GLY 62 62 THR 63 63 ILE 64 64 ASP 65 65 PHE 66 66 PRO 67 67 GLU 68 68 PHE 69 69 LEU 70 70 THR 71 71 MET 72 72 MET 73 73 ALA 74 74 ARG 75 75 LYS 76 76 MET 77 77 LYS 78 78 ASP 79 79 THR 80 80 ASP 81 81 SER 82 82 GLU 83 83 GLU 84 84 GLU 85 85 ILE 86 86 ARG 87 87 GLU 88 88 ALA 89 89 PHE 90 90 ARG 91 91 VAL 92 92 PHE 93 93 ASP 94 94 LYS 95 95 ASP 96 96 GLY 97 97 ASN 98 98 GLY 99 99 TYR 100 100 ILE 101 101 SER 102 102 ALA 103 103 ALA 104 104 GLU 105 105 LEU 106 106 ARG 107 107 HIS 108 108 VAL 109 109 MET 110 110 THR 111 111 ASN 112 112 LEU 113 113 GLY 114 114 GLU 115 115 LYS 116 116 LEU 117 117 THR 118 118 ASP 119 119 GLU 120 120 GLU 121 121 VAL 122 122 ASP 123 123 GLU 124 124 MET 125 125 ILE 126 126 ARG 127 127 GLU 128 128 ALA 129 129 ASP 130 130 ILE 131 131 ASP 132 132 GLY 133 133 ASP 134 134 GLY 135 135 GLN 136 136 VAL 137 137 ASN 138 138 TYR 139 139 GLU 140 140 GLU 141 141 PHE 142 142 VAL 143 143 GLN 144 144 MET 145 145 MET 146 146 THR 147 147 ALA 148 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 100.00 148 100.00 100.00 4.69e-100 BMRB 15185 calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 15186 calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 15187 calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 15188 calmodulin 100.00 148 99.32 100.00 9.33e-100 BMRB 15191 Calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 15470 calmodulin 100.00 148 99.32 100.00 1.92e-99 BMRB 15624 Calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 15650 calmodulin 100.00 148 99.32 100.00 3.17e-99 BMRB 15852 calmodulin 100.00 148 99.32 100.00 3.17e-99 BMRB 1634 calmodulin 100.00 148 97.30 99.32 2.42e-97 BMRB 16418 apoCaM 100.00 148 100.00 100.00 4.69e-100 BMRB 16465 entity_1 100.00 148 100.00 100.00 4.69e-100 BMRB 1648 calmodulin 100.00 148 97.30 99.32 2.42e-97 BMRB 16764 CALMODULIN 100.00 150 100.00 100.00 5.01e-100 BMRB 17264 calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 17360 entity_1 100.00 148 100.00 100.00 4.69e-100 BMRB 17771 Calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 17807 Calmodulin 99.32 147 100.00 100.00 2.44e-99 BMRB 18027 CaM 100.00 148 100.00 100.00 4.69e-100 BMRB 18028 CaM 100.00 148 100.00 100.00 4.69e-100 BMRB 18556 Calmodulin 100.00 148 98.65 99.32 2.53e-98 BMRB 19238 Calmodulin_prototypical_calcium_sensor 100.00 148 100.00 100.00 4.69e-100 BMRB 19586 entity_1 100.00 148 100.00 100.00 4.69e-100 BMRB 19604 calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 25253 CaM 100.00 148 98.65 99.32 1.17e-97 BMRB 25257 CaM 100.00 148 98.65 99.32 1.17e-97 BMRB 26503 Calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 26626 CaM 100.00 148 100.00 100.00 4.69e-100 BMRB 26627 CaM 100.00 148 100.00 100.00 4.69e-100 BMRB 4056 calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 4270 calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 4284 Calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 4310 calmodulin 100.00 148 100.00 100.00 4.69e-100 PDB 1A29 "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" 100.00 148 100.00 100.00 4.69e-100 PDB 1CFC "Calcium-Free Calmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 1CFD "Calcium-Free Calmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 1CFF "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" 100.00 148 100.00 100.00 4.69e-100 PDB 1CKK "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" 100.00 148 100.00 100.00 4.69e-100 PDB 1CLL "Calmodulin Structure Refined At 1.7 Angstroms Resolution" 100.00 148 100.00 100.00 4.69e-100 PDB 1CM1 "Motions Of Calmodulin-Single-Conformer Refinement" 100.00 148 100.00 100.00 4.69e-100 PDB 1CM4 "Motions Of Calmodulin-four-conformer Refinement" 100.00 148 100.00 100.00 4.69e-100 PDB 1CTR "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 1DMO "Calmodulin, Nmr, 30 Structures" 100.00 148 99.32 100.00 1.92e-99 PDB 1G4Y "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 1IQ5 "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" 100.00 149 100.00 100.00 4.90e-100 PDB 1IWQ "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" 100.00 148 100.00 100.00 4.69e-100 PDB 1K90 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" 100.00 148 100.00 100.00 4.69e-100 PDB 1K93 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 97.30 144 100.00 100.00 4.22e-97 PDB 1L7Z "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" 100.00 148 100.00 100.00 4.69e-100 PDB 1LIN "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" 100.00 148 100.00 100.00 4.69e-100 PDB 1LVC "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" 100.00 149 100.00 100.00 4.90e-100 PDB 1MUX "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" 100.00 148 100.00 100.00 4.69e-100 PDB 1MXE "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" 100.00 148 97.97 99.32 6.47e-98 PDB 1NWD "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" 100.00 148 100.00 100.00 4.69e-100 PDB 1OOJ "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" 100.00 149 97.97 98.65 1.22e-97 PDB 1PRW "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" 100.00 149 99.32 99.32 4.08e-99 PDB 1QIV "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 1QIW "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" 100.00 148 100.00 100.00 4.69e-100 PDB 1QX5 "Crystal Structure Of Apocalmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 1S26 "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" 100.00 148 100.00 100.00 4.69e-100 PDB 1SK6 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" 100.00 148 100.00 100.00 4.69e-100 PDB 1SY9 "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" 100.00 148 100.00 100.00 4.69e-100 PDB 1UP5 "Chicken Calmodulin" 100.00 148 99.32 99.32 3.95e-99 PDB 1WRZ "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" 100.00 149 100.00 100.00 4.90e-100 PDB 1X02 "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 1XA5 "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" 100.00 148 100.00 100.00 4.69e-100 PDB 1XFU "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" 100.00 149 99.32 100.00 1.16e-99 PDB 1XFV "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" 100.00 149 99.32 100.00 1.16e-99 PDB 1XFW "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" 100.00 149 99.32 100.00 1.16e-99 PDB 1XFY "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 100.00 149 99.32 100.00 1.16e-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 99.32 100.00 1.16e-99 PDB 1Y0V "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" 97.30 146 100.00 100.00 3.63e-97 PDB 1YR5 "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" 100.00 148 100.00 100.00 4.69e-100 PDB 2BBM "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.97 99.32 6.47e-98 PDB 2BBN "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.97 99.32 6.47e-98 PDB 2BCX "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" 100.00 148 100.00 100.00 4.69e-100 PDB 2BKH "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" 100.00 149 97.97 99.32 4.92e-98 PDB 2BKI "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" 100.00 149 100.00 100.00 4.90e-100 PDB 2DFS "3-D Structure Of Myosin-V Inhibited State" 100.00 148 100.00 100.00 4.69e-100 PDB 2F2O "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 100.00 179 100.00 100.00 7.55e-100 PDB 2F2P "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 100.00 179 100.00 100.00 7.55e-100 PDB 2F3Y "CalmodulinIQ DOMAIN COMPLEX" 100.00 148 100.00 100.00 4.69e-100 PDB 2F3Z "CalmodulinIQ-Aa Domain Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 2FOT "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" 100.00 148 100.00 100.00 4.69e-100 PDB 2HQW "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" 100.00 148 100.00 100.00 4.69e-100 PDB 2JZI "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" 100.00 148 100.00 100.00 4.69e-100 PDB 2K0E "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" 100.00 148 100.00 100.00 4.69e-100 PDB 2K0F "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" 100.00 148 100.00 100.00 4.69e-100 PDB 2K0J "Solution Structure Of Cam Complexed To Drp1p" 100.00 148 99.32 100.00 3.17e-99 PDB 2K61 "Solution Structure Of Cam Complexed To Dapk Peptide" 100.00 148 99.32 100.00 3.17e-99 PDB 2KDU "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" 100.00 148 100.00 100.00 4.69e-100 PDB 2KNE "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" 100.00 148 100.00 100.00 4.69e-100 PDB 2L53 "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" 100.00 148 100.00 100.00 4.69e-100 PDB 2L7L "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" 100.00 148 100.00 100.00 4.69e-100 PDB 2LGF "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" 98.65 146 100.00 100.00 1.02e-98 PDB 2LL6 "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" 100.00 148 100.00 100.00 4.69e-100 PDB 2LL7 "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" 100.00 148 100.00 100.00 4.69e-100 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 98.65 99.32 2.53e-98 PDB 2M0J "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 2M0K "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" 100.00 148 100.00 100.00 4.69e-100 PDB 2M55 "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 2MG5 "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" 100.00 148 100.00 100.00 4.69e-100 PDB 2MGU "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" 100.00 148 100.00 100.00 4.69e-100 PDB 2O5G "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 2O60 "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" 100.00 148 100.00 100.00 4.69e-100 PDB 2R28 "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" 100.00 149 100.00 100.00 4.90e-100 PDB 2V01 "Recombinant Vertebrate Calmodulin Complexed With Pb" 100.00 149 100.00 100.00 4.90e-100 PDB 2V02 "Recombinant Vertebrate Calmodulin Complexed With Ba" 100.00 149 100.00 100.00 4.90e-100 PDB 2VAS "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" 100.00 149 97.97 99.32 4.92e-98 PDB 2VAY "Calmodulin Complexed With Cav1.1 Iq Peptide" 98.65 146 100.00 100.00 1.02e-98 PDB 2VB6 "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)" 100.00 149 97.30 99.32 1.19e-97 PDB 2W73 "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" 100.00 149 100.00 100.00 4.90e-100 PDB 2WEL "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" 100.00 150 100.00 100.00 4.54e-100 PDB 2X0G "X-ray Structure Of A Dap-kinase Calmodulin Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 2X51 "M6 Delta Insert1" 100.00 149 97.97 99.32 4.92e-98 PDB 2Y4V "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" 100.00 149 100.00 100.00 4.90e-100 PDB 2YGG "Complex Of Cambr And Cam" 100.00 150 100.00 100.00 5.35e-100 PDB 3BXK "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 3BXL "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 3BYA "Structure Of A Calmodulin Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 3CLN "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" 100.00 148 99.32 100.00 1.92e-99 PDB 3DVE "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 3DVJ "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 3DVK "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 3DVM "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" 100.00 148 100.00 100.00 4.69e-100 PDB 3EK4 "Calcium-saturated Gcamp2 Monomer" 99.32 449 100.00 100.00 8.97e-96 PDB 3EK7 "Calcium-Saturated Gcamp2 Dimer" 99.32 449 100.00 100.00 8.97e-96 PDB 3EK8 "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" 99.32 449 100.00 100.00 1.27e-95 PDB 3EKH "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" 99.32 449 99.32 99.32 8.68e-95 PDB 3EVU "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" 99.32 449 100.00 100.00 8.97e-96 PDB 3EVV "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" 99.32 449 100.00 100.00 8.97e-96 PDB 3EWT "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 100.00 100.00 1.97e-100 PDB 3EWV "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 100.00 100.00 1.97e-100 PDB 3G43 "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" 100.00 148 100.00 100.00 4.69e-100 PDB 3GN4 "Myosin Lever Arm" 100.00 149 97.97 99.32 4.92e-98 PDB 3GOF "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" 100.00 148 100.00 100.00 4.69e-100 PDB 3HR4 "Human Inos Reductase And Calmodulin Complex" 100.00 149 100.00 100.00 4.90e-100 PDB 3IF7 "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" 100.00 148 100.00 100.00 4.69e-100 PDB 3J41 "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" 100.00 149 100.00 100.00 4.90e-100 PDB 3L9I "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" 100.00 149 97.97 99.32 4.92e-98 PDB 3O77 "The Structure Of Ca2+ Sensor (Case-16)" 99.32 415 100.00 100.00 4.03e-96 PDB 3O78 "The Structure Of Ca2+ Sensor (Case-12)" 99.32 415 100.00 100.00 4.44e-96 PDB 3OXQ "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" 100.00 149 100.00 100.00 4.90e-100 PDB 3SG2 "Crystal Structure Of Gcamp2-t116v,d381y" 99.32 449 99.32 99.32 1.28e-94 PDB 3SG3 "Crystal Structure Of Gcamp3-d380y" 99.32 449 98.64 99.32 1.62e-93 PDB 3SG4 "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" 100.00 448 97.97 98.65 1.12e-93 PDB 3SG5 "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" 100.00 448 97.97 98.65 9.19e-94 PDB 3SG6 "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" 99.32 450 100.00 100.00 1.15e-95 PDB 3SG7 "Crystal Structure Of Gcamp3-kf(linker 1)" 99.32 448 99.32 100.00 7.66e-95 PDB 3SJQ "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" 100.00 149 100.00 100.00 4.90e-100 PDB 3SUI "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" 100.00 149 100.00 100.00 4.90e-100 PDB 3U0K "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" 99.32 440 98.64 99.32 2.74e-94 PDB 3WFN "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" 100.00 182 100.00 100.00 5.64e-100 PDB 4ANJ "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" 100.00 149 97.97 99.32 4.92e-98 PDB 4BW7 "Calmodulin In Complex With Strontium" 100.00 149 100.00 100.00 4.90e-100 PDB 4BW8 "Calmodulin With Small Bend In Central Helix" 100.00 149 100.00 100.00 4.90e-100 PDB 4BYF "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" 100.00 149 100.00 100.00 4.90e-100 PDB 4CLN "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" 100.00 148 97.97 99.32 6.47e-98 PDB 4DBP "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" 100.00 149 97.97 99.32 4.92e-98 PDB 4DBQ "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" 100.00 149 97.97 99.32 4.92e-98 PDB 4DCK "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" 100.00 149 100.00 100.00 4.90e-100 PDB 4DJC "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" 100.00 152 100.00 100.00 3.43e-100 PDB 4E50 "Calmodulin And Ng Peptide Complex" 100.00 185 100.00 100.00 2.55e-100 PDB 4EHQ "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" 100.00 148 100.00 100.00 4.69e-100 PDB 4G27 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" 100.00 149 100.00 100.00 4.90e-100 PDB 4G28 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" 100.00 149 100.00 100.00 4.90e-100 PDB 4HEX "A Novel Conformation Of Calmodulin" 100.00 156 100.00 100.00 2.10e-100 PDB 4IK1 "High Resolution Structure Of Gcampj At Ph 8.5" 99.32 448 98.64 99.32 1.40e-93 PDB 4IK3 "High Resolution Structure Of Gcamp3 At Ph 8.5" 99.32 448 99.32 100.00 9.10e-95 PDB 4IK4 "High Resolution Structure Of Gcamp3 At Ph 5.0" 99.32 448 99.32 100.00 9.10e-95 PDB 4IK5 "High Resolution Structure Of Delta-rest-gcamp3" 99.32 414 99.32 100.00 3.56e-95 PDB 4IK8 "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" 99.32 448 99.32 100.00 9.10e-95 PDB 4IK9 "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" 99.32 448 99.32 100.00 9.10e-95 PDB 4J9Y "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" 100.00 149 100.00 100.00 4.90e-100 PDB 4J9Z "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" 100.00 149 100.00 100.00 4.90e-100 PDB 4JPZ "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" 100.00 149 100.00 100.00 4.90e-100 PDB 4JQ0 "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" 100.00 149 100.00 100.00 4.90e-100 PDB 4L79 "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" 100.00 149 100.00 100.00 4.90e-100 PDB 4LZX "Complex Of Iqcg And Ca2+-free Cam" 100.00 148 100.00 100.00 4.69e-100 PDB 4M1L "Complex Of Iqcg And Ca2+-bound Cam" 100.00 148 100.00 100.00 4.69e-100 PDB 4PJJ "Myosin Vi (md-insert2-cam, Delta-insert1) Post-rigor State - Long Soaking With Po4" 100.00 149 97.30 99.32 1.19e-97 PDB 4Q5U "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" 100.00 149 100.00 100.00 4.90e-100 PDB 4QNH "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" 100.00 149 99.32 99.32 5.98e-99 PDB 4R8G "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 4UMO "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 100.00 100.00 4.90e-100 PDB 4UPU "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" 100.00 148 100.00 100.00 4.69e-100 PDB 4V0C "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 100.00 100.00 4.90e-100 DBJ BAA08302 "calmodulin [Homo sapiens]" 100.00 149 100.00 100.00 4.90e-100 DBJ BAA11896 "calmodulin [Anas platyrhynchos]" 100.00 149 100.00 100.00 4.90e-100 DBJ BAA19786 "calmodulin [Branchiostoma lanceolatum]" 100.00 149 97.97 99.32 4.92e-98 DBJ BAA19787 "calmodulin [Branchiostoma floridae]" 100.00 149 97.97 99.32 4.92e-98 DBJ BAA19788 "calmodulin [Halocynthia roretzi]" 100.00 149 97.97 99.32 4.92e-98 EMBL CAA10601 "calmodulin [Caenorhabditis elegans]" 100.00 149 97.97 98.65 1.22e-97 EMBL CAA32050 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 4.90e-100 EMBL CAA32062 "calmodulin II [Rattus norvegicus]" 100.00 149 100.00 100.00 4.90e-100 EMBL CAA32119 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 4.90e-100 EMBL CAA32120 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 4.90e-100 GB AAA35635 "calmodulin [Homo sapiens]" 100.00 149 100.00 100.00 4.90e-100 GB AAA35641 "calmodulin [Homo sapiens]" 100.00 149 100.00 100.00 4.90e-100 GB AAA37365 "calmodulin synthesis [Mus musculus]" 100.00 149 100.00 100.00 4.90e-100 GB AAA40862 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 4.90e-100 GB AAA40863 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 4.90e-100 PIR JC1305 "calmodulin - Japanese medaka" 100.00 149 100.00 100.00 4.90e-100 PIR MCON "calmodulin - salmon" 100.00 148 100.00 100.00 4.69e-100 PRF 0409298A "troponin C-like protein" 100.00 148 97.30 100.00 2.42e-98 PRF 0608335A calmodulin 100.00 148 97.97 99.32 3.33e-97 REF NP_001008160 "calmodulin [Xenopus (Silurana) tropicalis]" 100.00 149 100.00 100.00 4.90e-100 REF NP_001009759 "calmodulin [Ovis aries]" 100.00 149 100.00 100.00 4.90e-100 REF NP_001027633 "calmodulin [Ciona intestinalis]" 100.00 149 97.30 98.65 3.19e-97 REF NP_001039714 "calmodulin [Bos taurus]" 100.00 149 100.00 100.00 4.90e-100 REF NP_001040234 "calmodulin [Bombyx mori]" 100.00 149 97.97 99.32 4.92e-98 SP O02367 "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM" 100.00 149 97.30 98.65 3.19e-97 SP O16305 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 97.97 98.65 1.22e-97 SP O96081 "RecName: Full=Calmodulin-B; Short=CaM B" 100.00 149 97.30 98.65 3.60e-97 SP P02594 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 99.32 100.00 1.58e-99 SP P05932 "RecName: Full=Calmodulin-beta; Short=Cam B" 93.24 138 97.10 99.28 5.02e-90 TPG DAA13808 "TPA: calmodulin 2-like [Bos taurus]" 100.00 216 98.65 98.65 2.38e-98 TPG DAA18029 "TPA: calmodulin [Bos taurus]" 100.00 149 98.65 99.32 7.20e-99 TPG DAA19590 "TPA: calmodulin 3 [Bos taurus]" 100.00 149 100.00 100.00 4.90e-100 TPG DAA24777 "TPA: calmodulin 2-like [Bos taurus]" 100.00 149 100.00 100.00 4.90e-100 TPG DAA24988 "TPA: calmodulin 2-like isoform 1 [Bos taurus]" 100.00 149 100.00 100.00 4.90e-100 stop_ save_ save_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common peptide _Molecular_mass 1953.383 _Mol_thiol_state 'not present' _Details . _Residue_count 20 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 201 MET 2 202 ASP 3 203 VAL 4 204 PHE 5 205 MET 6 206 LYS 7 207 GLY 8 208 LEU 9 209 SER 10 210 LYS 11 211 ALA 12 212 LYS 13 213 GLU 14 214 GLY 15 215 VAL 16 216 VAL 17 217 ALA 18 218 ALA 19 219 ALA 20 220 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 16300 alpha-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 16302 alpha-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 16342 human_a-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 16543 "monomer alpha-synuclein" 95.00 140 100.00 100.00 1.84e-02 BMRB 16546 A30P_alpha-synuclein 95.00 140 100.00 100.00 1.78e-02 BMRB 16547 E46K_alpha-synuclein 95.00 140 100.00 100.00 1.90e-02 BMRB 16548 A53T_alpha-synuclein 95.00 140 100.00 100.00 1.78e-02 BMRB 16904 alpha-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 17214 A30P_alpha-synuclein 95.00 140 100.00 100.00 1.78e-02 BMRB 17498 alpha-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 17665 aSyn 95.00 150 100.00 100.00 2.14e-02 BMRB 18232 mouse_alpha-synuclein 95.00 140 100.00 100.00 1.82e-02 BMRB 18857 alpha_synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 18860 a-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 19257 Alpha-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 19337 aSyn 95.00 140 100.00 100.00 1.84e-02 BMRB 19338 aSyn_A53T 95.00 140 100.00 100.00 1.78e-02 BMRB 19344 aSyn_S87N 95.00 140 100.00 100.00 1.84e-02 BMRB 19345 aSyn_A53T&S87N 95.00 140 100.00 100.00 1.76e-02 BMRB 19346 aSyn_mouse 95.00 140 100.00 100.00 1.82e-02 BMRB 19347 aSyn_mouse_T53A 95.00 140 100.00 100.00 1.90e-02 BMRB 19348 aSyn_mouse_N87S 90.00 139 100.00 100.00 1.23e-01 BMRB 19349 aSyn_mouse_T53A&N87S 90.00 139 100.00 100.00 1.33e-01 BMRB 19350 acet_aSyn 95.00 140 100.00 100.00 1.84e-02 BMRB 19351 acet_aSyn_A53T 95.00 140 100.00 100.00 1.78e-02 BMRB 5744 alpha-synuclein 95.00 140 100.00 100.00 1.84e-02 BMRB 6968 naturally_unfolded_alpha-synuclein 95.00 140 100.00 100.00 1.84e-02 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 95.00 140 100.00 100.00 1.84e-02 PDB 2KKW "Slas-Micelle Bound Alpha-Synuclein" 95.00 140 100.00 100.00 1.84e-02 PDB 2M55 "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" 95.00 21 100.00 100.00 2.33e-02 PDB 3Q25 "Crystal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)" 95.00 390 100.00 100.00 8.17e-02 PDB 3Q29 "Cyrstal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)" 95.00 390 100.00 100.00 8.17e-02 DBJ BAA06625 "NACP112 [Homo sapiens]" 95.00 112 100.00 100.00 1.39e-02 DBJ BAB29375 "unnamed protein product [Mus musculus]" 95.00 122 100.00 100.00 1.59e-02 DBJ BAE33670 "unnamed protein product [Mus musculus]" 95.00 140 100.00 100.00 1.82e-02 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 95.00 140 100.00 100.00 1.84e-02 DBJ BAG73790 "synuclein, alpha [synthetic construct]" 95.00 140 100.00 100.00 1.84e-02 EMBL CAG33339 "SNCA [Homo sapiens]" 95.00 140 100.00 100.00 1.84e-02 EMBL CAG46454 "SNCA [Homo sapiens]" 95.00 140 100.00 100.00 1.84e-02 GB AAA16117 "AD amyloid [Homo sapiens]" 95.00 140 100.00 100.00 1.84e-02 GB AAA93538 "synelfin [Serinus canaria]" 95.00 143 100.00 100.00 1.59e-02 GB AAA98487 "synuclein [Homo sapiens]" 95.00 112 100.00 100.00 1.39e-02 GB AAA98493 "synuclein [Homo sapiens]" 95.00 126 100.00 100.00 1.53e-02 GB AAB20688 "synuclein SYN1 [Rattus sp.]" 95.00 140 100.00 100.00 1.78e-02 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 95.00 140 100.00 100.00 1.84e-02 REF NP_001009158 "alpha-synuclein [Pan troglodytes]" 95.00 140 100.00 100.00 1.84e-02 REF NP_001029213 "alpha-synuclein [Bos taurus]" 95.00 140 100.00 100.00 1.86e-02 REF NP_001032222 "alpha-synuclein [Sus scrofa]" 95.00 140 100.00 100.00 1.72e-02 REF NP_001035916 "alpha-synuclein [Mus musculus]" 95.00 140 100.00 100.00 1.82e-02 SP O55042 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 95.00 140 100.00 100.00 1.82e-02 SP P37377 "RecName: Full=Alpha-synuclein [Rattus norvegicus]" 95.00 140 100.00 100.00 1.78e-02 SP P37840 "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" 95.00 140 100.00 100.00 1.84e-02 SP P61138 "RecName: Full=Alpha-synuclein [Ateles geoffroyi]" 95.00 140 100.00 100.00 1.80e-02 SP P61139 "RecName: Full=Alpha-synuclein [Erythrocebus patas]" 95.00 140 100.00 100.00 1.84e-02 TPG DAA28796 "TPA: alpha-synuclein [Bos taurus]" 95.00 140 100.00 100.00 1.86e-02 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ ############# # Ligands # ############# save_ACE _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ACETYL GROUP' _BMRB_code ACE _PDB_code ACE _Molecular_mass 44.053 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _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 Humans 9606 Eukaryota Metazoa Homo sapiens $peptide Humans 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' . . . . pet17b $peptide 'chemical synthesis' . . . . . $entity_ACE 'chemical synthesis' . . . . . $entity_CA 'obtained from a vendor' . . . . . 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 600 uM '[U-99% 13C; U-99% 15N]' $peptide 600 uM 'natural abundance' MES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' $entity_CA 3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calmodulin 700 uM '[U-13C; U-15N]-Met,Val,Phe,Gly,Leu,Ala' $peptide 700 uM 'natural abundance' MES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' $entity_CA 3 mM 'natural abundance' 'sodium azide' .1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calmodulin 150 uM '[U-99% 13C; U-99% 15N]' $peptide 150 uM 'natural abundance' MES 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' $entity_CA 3 mM 'natural abundance' 'Pf1 phage' 10 mg/mL 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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 pH 6.36 . pH pressure 1 . atm temperature 310 . 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 water C 13 protons ppm 4.658 internal indirect . . . 0.251449530 water H 1 protons ppm 4.658 internal direct . . . 1 water N 15 protons ppm 4.658 internal 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_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aromatic' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 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 HA H 4.1174 0.03000 1 2 1 1 ALA CA C 51.969 0.30000 1 3 1 1 ALA CB C 19.449 0.30000 1 4 2 2 ASP HA H 4.6536 0.03000 1 5 2 2 ASP CA C 54.799 0.30000 1 6 2 2 ASP CB C 41.496 0.30000 1 7 3 3 GLN H H 8.3852 0.03000 1 8 3 3 GLN HA H 4.3995 0.03000 1 9 3 3 GLN CA C 55.646 0.30000 1 10 3 3 GLN CB C 29.996 0.30000 1 11 3 3 GLN N N 119.90 0.30000 1 12 4 4 LEU H H 8.3513 0.03000 1 13 4 4 LEU HA H 4.6809 0.03000 1 14 4 4 LEU CA C 54.516 0.30000 1 15 4 4 LEU CB C 43.666 0.30000 1 16 4 4 LEU N N 123.27 0.30000 1 17 5 5 THR H H 8.7638 0.03000 1 18 5 5 THR HA H 4.4787 0.03000 1 19 5 5 THR CA C 60.553 0.30000 1 20 5 5 THR CB C 71.232 0.30000 1 21 5 5 THR N N 113.15 0.30000 1 22 6 6 GLU H H 9.0660 0.03000 1 23 6 6 GLU HA H 3.9939 0.03000 1 24 6 6 GLU CA C 60.091 0.30000 1 25 6 6 GLU CB C 29.307 0.30000 1 26 6 6 GLU N N 120.49 0.30000 1 27 7 7 GLU H H 8.7686 0.03000 1 28 7 7 GLU HA H 4.0806 0.03000 1 29 7 7 GLU CA C 60.055 0.30000 1 30 7 7 GLU CB C 29.194 0.30000 1 31 7 7 GLU N N 119.64 0.30000 1 32 8 8 GLN H H 7.7793 0.03000 1 33 8 8 GLN HA H 3.8575 0.03000 1 34 8 8 GLN CA C 58.691 0.30000 1 35 8 8 GLN CB C 29.295 0.30000 1 36 8 8 GLN N N 120.42 0.30000 1 37 9 9 ILE H H 8.3909 0.03000 1 38 9 9 ILE HA H 3.6985 0.03000 1 39 9 9 ILE CA C 66.284 0.30000 1 40 9 9 ILE CB C 37.882 0.30000 1 41 9 9 ILE N N 119.53 0.30000 1 42 10 10 ALA H H 8.0404 0.03000 1 43 10 10 ALA HA H 4.1403 0.03000 1 44 10 10 ALA CA C 55.569 0.30000 1 45 10 10 ALA CB C 17.977 0.30000 1 46 10 10 ALA N N 121.27 0.30000 1 47 11 11 GLU H H 7.8405 0.03000 1 48 11 11 GLU HA H 4.1593 0.03000 1 49 11 11 GLU CA C 59.438 0.30000 1 50 11 11 GLU CB C 29.098 0.30000 1 51 11 11 GLU N N 119.83 0.30000 1 52 12 12 PHE H H 8.6406 0.03000 1 53 12 12 PHE HA H 5.0327 0.03000 1 54 12 12 PHE CA C 59.113 0.30000 1 55 12 12 PHE CB C 37.727 0.30000 1 56 12 12 PHE N N 120.25 0.30000 1 57 13 13 LYS H H 9.2726 0.03000 1 58 13 13 LYS HA H 4.0379 0.03000 1 59 13 13 LYS CA C 60.228 0.30000 1 60 13 13 LYS CB C 32.020 0.30000 1 61 13 13 LYS N N 123.68 0.30000 1 62 14 14 GLU H H 7.8735 0.03000 1 63 14 14 GLU HA H 4.1504 0.03000 1 64 14 14 GLU CA C 59.283 0.30000 1 65 14 14 GLU CB C 29.163 0.30000 1 66 14 14 GLU N N 120.48 0.30000 1 67 15 15 ALA H H 8.0446 0.03000 1 68 15 15 ALA HA H 4.2849 0.03000 1 69 15 15 ALA CA C 55.370 0.30000 1 70 15 15 ALA CB C 18.190 0.30000 1 71 15 15 ALA N N 122.59 0.30000 1 72 16 16 PHE H H 8.8043 0.03000 1 73 16 16 PHE HA H 3.3140 0.03000 1 74 16 16 PHE CA C 62.091 0.30000 1 75 16 16 PHE CB C 39.813 0.30000 1 76 16 16 PHE N N 119.11 0.30000 1 77 17 17 SER H H 8.0830 0.03000 1 78 17 17 SER HA H 4.1393 0.03000 1 79 17 17 SER CA C 61.542 0.30000 1 80 17 17 SER CB C 63.424 0.30000 1 81 17 17 SER N N 113.20 0.30000 1 82 18 18 LEU H H 7.4364 0.03000 1 83 18 18 LEU HA H 3.9811 0.03000 1 84 18 18 LEU CA C 57.258 0.30000 1 85 18 18 LEU CB C 41.565 0.30000 1 86 18 18 LEU N N 120.84 0.30000 1 87 19 19 PHE H H 7.1800 0.03000 1 88 19 19 PHE HA H 4.2369 0.03000 1 89 19 19 PHE CA C 59.258 0.30000 1 90 19 19 PHE CB C 41.732 0.30000 1 91 19 19 PHE N N 114.02 0.30000 1 92 20 20 ASP H H 7.8441 0.03000 1 93 20 20 ASP HA H 4.5792 0.03000 1 94 20 20 ASP CA C 52.295 0.30000 1 95 20 20 ASP CB C 39.167 0.30000 1 96 20 20 ASP N N 117.44 0.30000 1 97 21 21 LYS H H 7.7282 0.03000 1 98 21 21 LYS HA H 3.9904 0.03000 1 99 21 21 LYS CA C 58.379 0.30000 1 100 21 21 LYS CB C 32.623 0.30000 1 101 21 21 LYS N N 124.41 0.30000 1 102 22 22 ASP H H 8.0947 0.03000 1 103 22 22 ASP HA H 4.6254 0.03000 1 104 22 22 ASP CA C 52.921 0.30000 1 105 22 22 ASP CB C 39.728 0.30000 1 106 22 22 ASP N N 114.06 0.30000 1 107 23 23 GLY H H 7.7171 0.03000 1 108 23 23 GLY HA2 H 3.8200 0.03000 2 109 23 23 GLY HA3 H 3.8739 0.03000 2 110 23 23 GLY CA C 47.250 0.30000 1 111 23 23 GLY N N 109.39 0.30000 1 112 24 24 ASP H H 8.4720 0.03000 1 113 24 24 ASP HA H 4.5643 0.03000 1 114 24 24 ASP CA C 53.918 0.30000 1 115 24 24 ASP CB C 40.569 0.30000 1 116 24 24 ASP N N 120.86 0.30000 1 117 25 25 GLY H H 10.619 0.03000 1 118 25 25 GLY HA2 H 3.7280 0.03000 2 119 25 25 GLY HA3 H 4.3918 0.03000 2 120 25 25 GLY CA C 45.542 0.30000 1 121 25 25 GLY N N 113.09 0.30000 1 122 26 26 THR H H 8.2108 0.03000 1 123 26 26 THR HA H 5.3910 0.03000 1 124 26 26 THR CA C 59.883 0.30000 1 125 26 26 THR CB C 72.786 0.30000 1 126 26 26 THR N N 112.60 0.30000 1 127 27 27 ILE H H 9.8758 0.03000 1 128 27 27 ILE HA H 4.8948 0.03000 1 129 27 27 ILE CA C 60.856 0.30000 1 130 27 27 ILE CB C 39.926 0.30000 1 131 27 27 ILE N N 126.83 0.30000 1 132 28 28 THR H H 8.4393 0.03000 1 133 28 28 THR HA H 4.8111 0.03000 1 134 28 28 THR CA C 59.216 0.30000 1 135 28 28 THR CB C 72.541 0.30000 1 136 28 28 THR N N 116.50 0.30000 1 137 29 29 THR H H 9.2381 0.03000 1 138 29 29 THR HA H 3.8072 0.03000 1 139 29 29 THR CA C 66.516 0.30000 1 140 29 29 THR CB C 68.018 0.30000 1 141 29 29 THR N N 112.85 0.30000 1 142 30 30 LYS H H 7.6883 0.03000 1 143 30 30 LYS HA H 4.1705 0.03000 1 144 30 30 LYS CA C 59.377 0.30000 1 145 30 30 LYS CB C 32.823 0.30000 1 146 30 30 LYS N N 121.13 0.30000 1 147 31 31 GLU H H 7.7829 0.03000 1 148 31 31 GLU HA H 4.0621 0.03000 1 149 31 31 GLU CA C 59.579 0.30000 1 150 31 31 GLU CB C 29.837 0.30000 1 151 31 31 GLU N N 121.92 0.30000 1 152 32 32 LEU H H 8.7049 0.03000 1 153 32 32 LEU HA H 4.1452 0.03000 1 154 32 32 LEU CA C 58.321 0.30000 1 155 32 32 LEU CB C 42.697 0.30000 1 156 32 32 LEU N N 120.57 0.30000 1 157 33 33 GLY H H 8.7527 0.03000 1 158 33 33 GLY HA2 H 3.5920 0.03000 2 159 33 33 GLY HA3 H 3.9954 0.03000 2 160 33 33 GLY N N 105.72 0.30000 1 161 34 34 THR H H 8.0712 0.03000 1 162 34 34 THR HA H 3.9608 0.03000 1 163 34 34 THR CA C 67.097 0.30000 1 164 34 34 THR CB C 68.869 0.30000 1 165 34 34 THR N N 118.37 0.30000 1 166 35 35 VAL H H 7.7378 0.03000 1 167 35 35 VAL HA H 3.6085 0.03000 1 168 35 35 VAL CA C 66.538 0.30000 1 169 35 35 VAL CB C 31.589 0.30000 1 170 35 35 VAL N N 122.17 0.30000 1 171 36 36 MET H H 8.5586 0.03000 1 172 36 36 MET HA H 4.0426 0.03000 1 173 36 36 MET CA C 59.594 0.30000 1 174 36 36 MET CB C 31.850 0.30000 1 175 36 36 MET N N 118.62 0.30000 1 176 37 37 ARG H H 8.6382 0.03000 1 177 37 37 ARG HA H 4.7976 0.03000 1 178 37 37 ARG CA C 59.518 0.30000 1 179 37 37 ARG CB C 30.189 0.30000 1 180 37 37 ARG N N 118.92 0.30000 1 181 38 38 SER H H 7.9943 0.03000 1 182 38 38 SER HA H 4.4196 0.03000 1 183 38 38 SER CA C 61.682 0.30000 1 184 38 38 SER CB C 62.890 0.30000 1 185 38 38 SER N N 119.00 0.30000 1 186 39 39 LEU H H 7.4259 0.03000 1 187 39 39 LEU HA H 4.4984 0.03000 1 188 39 39 LEU CA C 54.405 0.30000 1 189 39 39 LEU CB C 41.979 0.30000 1 190 39 39 LEU N N 120.79 0.30000 1 191 40 40 GLY H H 7.8959 0.03000 1 192 40 40 GLY HA2 H 3.8150 0.03000 2 193 40 40 GLY HA3 H 4.2871 0.03000 2 194 40 40 GLY CA C 45.713 0.30000 1 195 40 40 GLY N N 106.83 0.30000 1 196 41 41 GLN H H 7.8650 0.03000 1 197 41 41 GLN HA H 4.5035 0.03000 1 198 41 41 GLN CA C 54.585 0.30000 1 199 41 41 GLN CB C 30.591 0.30000 1 200 41 41 GLN N N 118.33 0.30000 1 201 42 42 ASN H H 8.7714 0.03000 1 202 42 42 ASN HA H 5.2136 0.03000 1 203 42 42 ASN CA C 51.351 0.30000 1 204 42 42 ASN CB C 39.402 0.30000 1 205 42 42 ASN N N 116.49 0.30000 1 206 43 43 PRO HA H 4.7794 0.03000 1 207 43 43 PRO CA C 62.475 0.30000 1 208 43 43 PRO CB C 32.084 0.30000 1 209 44 44 THR H H 8.8084 0.03000 1 210 44 44 THR HA H 4.4870 0.03000 1 211 44 44 THR CA C 60.565 0.30000 1 212 44 44 THR CB C 71.260 0.30000 1 213 44 44 THR N N 113.05 0.30000 1 214 45 45 GLU H H 8.8423 0.03000 1 215 45 45 GLU HA H 4.0011 0.03000 1 216 45 45 GLU CA C 60.082 0.30000 1 217 45 45 GLU CB C 29.129 0.30000 1 218 45 45 GLU N N 120.70 0.30000 1 219 46 46 ALA H H 8.3052 0.03000 1 220 46 46 ALA HA H 4.1246 0.03000 1 221 46 46 ALA CA C 55.125 0.30000 1 222 46 46 ALA CB C 18.342 0.30000 1 223 46 46 ALA N N 120.88 0.30000 1 224 47 47 GLU H H 7.7362 0.03000 1 225 47 47 GLU HA H 4.0404 0.03000 1 226 47 47 GLU CA C 59.144 0.30000 1 227 47 47 GLU CB C 29.886 0.30000 1 228 47 47 GLU N N 118.78 0.30000 1 229 48 48 LEU H H 8.1690 0.03000 1 230 48 48 LEU HA H 4.0789 0.03000 1 231 48 48 LEU CA C 57.955 0.30000 1 232 48 48 LEU CB C 42.516 0.30000 1 233 48 48 LEU N N 120.12 0.30000 1 234 49 49 GLN H H 8.2352 0.03000 1 235 49 49 GLN HA H 3.8492 0.03000 1 236 49 49 GLN CA C 58.676 0.30000 1 237 49 49 GLN CB C 28.341 0.30000 1 238 49 49 GLN N N 118.39 0.30000 1 239 50 50 ASP H H 8.1641 0.03000 1 240 50 50 ASP HA H 4.4386 0.03000 1 241 50 50 ASP CA C 57.643 0.30000 1 242 50 50 ASP CB C 40.366 0.30000 1 243 50 50 ASP N N 120.09 0.30000 1 244 51 51 MET H H 7.9085 0.03000 1 245 51 51 MET HA H 4.0208 0.03000 1 246 51 51 MET CA C 59.332 0.30000 1 247 51 51 MET CB C 33.713 0.30000 1 248 51 51 MET N N 119.33 0.30000 1 249 52 52 ILE H H 7.7667 0.03000 1 250 52 52 ILE HA H 3.5813 0.03000 1 251 52 52 ILE CA C 64.476 0.30000 1 252 52 52 ILE CB C 37.177 0.30000 1 253 52 52 ILE N N 118.08 0.30000 1 254 53 53 ASN H H 8.6690 0.03000 1 255 53 53 ASN HA H 4.4168 0.03000 1 256 53 53 ASN CA C 55.988 0.30000 1 257 53 53 ASN CB C 38.211 0.30000 1 258 53 53 ASN N N 117.98 0.30000 1 259 54 54 GLU H H 7.5658 0.03000 1 260 54 54 GLU HA H 4.0662 0.03000 1 261 54 54 GLU CA C 58.930 0.30000 1 262 54 54 GLU CB C 30.404 0.30000 1 263 54 54 GLU N N 116.35 0.30000 1 264 55 55 VAL H H 7.2424 0.03000 1 265 55 55 VAL HA H 4.3661 0.03000 1 266 55 55 VAL CA C 61.089 0.30000 1 267 55 55 VAL CB C 33.088 0.30000 1 268 55 55 VAL N N 110.52 0.30000 1 269 56 56 ASP H H 7.7494 0.03000 1 270 56 56 ASP HA H 4.5820 0.03000 1 271 56 56 ASP CA C 53.916 0.30000 1 272 56 56 ASP CB C 40.588 0.30000 1 273 56 56 ASP N N 121.39 0.30000 1 274 57 57 ALA H H 8.3233 0.03000 1 275 57 57 ALA HA H 4.2472 0.03000 1 276 57 57 ALA CA C 54.341 0.30000 1 277 57 57 ALA CB C 19.800 0.30000 1 278 57 57 ALA N N 131.64 0.30000 1 279 58 58 ASP H H 8.2403 0.03000 1 280 58 58 ASP HA H 4.6818 0.03000 1 281 58 58 ASP CA C 52.705 0.30000 1 282 58 58 ASP CB C 39.931 0.30000 1 283 58 58 ASP N N 114.00 0.30000 1 284 59 59 GLY H H 7.6346 0.03000 1 285 59 59 GLY HA2 H 3.9200 0.03000 2 286 59 59 GLY HA3 H 3.9214 0.03000 2 287 59 59 GLY CA C 47.306 0.30000 1 288 59 59 GLY N N 108.66 0.30000 1 289 60 60 ASN H H 8.1842 0.03000 1 290 60 60 ASN HA H 4.6581 0.03000 1 291 60 60 ASN CA C 52.805 0.30000 1 292 60 60 ASN CB C 37.716 0.30000 1 293 60 60 ASN N N 118.73 0.30000 1 294 61 61 GLY H H 10.605 0.03000 1 295 61 61 GLY HA2 H 3.5200 0.03000 2 296 61 61 GLY HA3 H 4.2444 0.03000 2 297 61 61 GLY CA C 45.753 0.30000 1 298 61 61 GLY N N 113.43 0.30000 1 299 62 62 THR H H 7.6990 0.03000 1 300 62 62 THR HA H 4.8743 0.03000 1 301 62 62 THR CA C 59.541 0.30000 1 302 62 62 THR CB C 72.168 0.30000 1 303 62 62 THR N N 108.75 0.30000 1 304 63 63 ILE H H 8.8231 0.03000 1 305 63 63 ILE HA H 5.1598 0.03000 1 306 63 63 ILE CA C 59.959 0.30000 1 307 63 63 ILE CB C 39.836 0.30000 1 308 63 63 ILE N N 123.51 0.30000 1 309 64 64 ASP H H 8.9464 0.03000 1 310 64 64 ASP HA H 5.4634 0.03000 1 311 64 64 ASP CA C 52.257 0.30000 1 312 64 64 ASP CB C 42.416 0.30000 1 313 64 64 ASP N N 128.37 0.30000 1 314 65 65 PHE H H 8.9998 0.03000 1 315 65 65 PHE HA H 4.0280 0.03000 1 316 65 65 PHE CA C 63.404 0.30000 1 317 65 65 PHE CB C 36.123 0.30000 1 318 65 65 PHE N N 118.87 0.30000 1 319 66 66 PRO HA H 3.9179 0.03000 1 320 66 66 PRO CA C 66.799 0.30000 1 321 66 66 PRO CB C 30.789 0.30000 1 322 67 67 GLU H H 8.1853 0.03000 1 323 67 67 GLU HA H 4.0880 0.03000 1 324 67 67 GLU CA C 58.965 0.30000 1 325 67 67 GLU CB C 29.677 0.30000 1 326 67 67 GLU N N 117.93 0.30000 1 327 68 68 PHE H H 8.7942 0.03000 1 328 68 68 PHE HA H 3.9565 0.03000 1 329 68 68 PHE CA C 61.439 0.30000 1 330 68 68 PHE CB C 40.429 0.30000 1 331 68 68 PHE N N 123.83 0.30000 1 332 69 69 LEU H H 8.6618 0.03000 1 333 69 69 LEU HA H 3.3945 0.03000 1 334 69 69 LEU CA C 58.042 0.30000 1 335 69 69 LEU CB C 41.246 0.30000 1 336 69 69 LEU N N 119.41 0.30000 1 337 70 70 THR H H 7.7435 0.03000 1 338 70 70 THR HA H 3.7830 0.03000 1 339 70 70 THR CA C 66.623 0.30000 1 340 70 70 THR CB C 68.592 0.30000 1 341 70 70 THR N N 115.70 0.30000 1 342 71 71 MET H H 7.6220 0.03000 1 343 71 71 MET HA H 3.8885 0.03000 1 344 71 71 MET CA C 58.859 0.30000 1 345 71 71 MET CB C 32.676 0.30000 1 346 71 71 MET N N 121.35 0.30000 1 347 72 72 MET H H 8.0658 0.03000 1 348 72 72 MET HA H 3.9728 0.03000 1 349 72 72 MET CA C 56.030 0.30000 1 350 72 72 MET CB C 30.934 0.30000 1 351 72 72 MET N N 117.39 0.30000 1 352 73 73 ALA H H 8.2760 0.03000 1 353 73 73 ALA HA H 4.1032 0.03000 1 354 73 73 ALA CA C 54.517 0.30000 1 355 73 73 ALA CB C 18.381 0.30000 1 356 73 73 ALA N N 121.67 0.30000 1 357 74 74 ARG H H 7.5387 0.03000 1 358 74 74 ARG HA H 4.1129 0.03000 1 359 74 74 ARG CA C 58.327 0.30000 1 360 74 74 ARG CB C 30.378 0.30000 1 361 74 74 ARG N N 117.22 0.30000 1 362 75 75 LYS H H 7.8326 0.03000 1 363 75 75 LYS HA H 4.2609 0.03000 1 364 75 75 LYS CA C 56.990 0.30000 1 365 75 75 LYS CB C 32.412 0.30000 1 366 75 75 LYS N N 119.12 0.30000 1 367 76 76 MET H H 8.0000 0.03000 1 368 76 76 MET HA H 4.3699 0.03000 1 369 76 76 MET CA C 56.700 0.30000 1 370 76 76 MET CB C 32.981 0.30000 1 371 76 76 MET N N 118.86 0.30000 1 372 77 77 LYS H H 7.8662 0.03000 1 373 77 77 LYS HA H 4.3521 0.03000 1 374 77 77 LYS CA C 56.709 0.30000 1 375 77 77 LYS CB C 33.138 0.30000 1 376 77 77 LYS N N 120.20 0.30000 1 377 78 78 ASP H H 8.2497 0.03000 1 378 78 78 ASP HA H 4.6911 0.03000 1 379 78 78 ASP CA C 54.771 0.30000 1 380 78 78 ASP CB C 41.222 0.30000 1 381 78 78 ASP N N 121.43 0.30000 1 382 79 79 THR H H 8.0932 0.03000 1 383 79 79 THR HA H 4.3371 0.03000 1 384 79 79 THR CA C 62.349 0.30000 1 385 79 79 THR CB C 69.875 0.30000 1 386 79 79 THR N N 114.39 0.30000 1 387 80 80 ASP H H 8.4546 0.03000 1 388 80 80 ASP HA H 4.7210 0.03000 1 389 80 80 ASP CA C 54.655 0.30000 1 390 80 80 ASP CB C 41.416 0.30000 1 391 80 80 ASP N N 123.46 0.30000 1 392 81 81 SER H H 8.5046 0.03000 1 393 81 81 SER HA H 4.4546 0.03000 1 394 81 81 SER CA C 59.571 0.30000 1 395 81 81 SER CB C 63.825 0.30000 1 396 81 81 SER N N 117.44 0.30000 1 397 82 82 GLU H H 8.5077 0.03000 1 398 82 82 GLU HA H 4.1849 0.03000 1 399 82 82 GLU CA C 58.800 0.30000 1 400 82 82 GLU CB C 29.660 0.30000 1 401 82 82 GLU N N 122.38 0.30000 1 402 83 83 GLU H H 8.2968 0.03000 1 403 83 83 GLU HA H 4.0849 0.03000 1 404 83 83 GLU CA C 59.576 0.30000 1 405 83 83 GLU CB C 29.410 0.30000 1 406 83 83 GLU N N 119.67 0.30000 1 407 84 84 GLU H H 8.2180 0.03000 1 408 84 84 GLU HA H 4.1345 0.03000 1 409 84 84 GLU CA C 59.523 0.30000 1 410 84 84 GLU CB C 29.607 0.30000 1 411 84 84 GLU N N 118.70 0.30000 1 412 85 85 ILE H H 7.9800 0.03000 1 413 85 85 ILE HA H 3.9806 0.03000 1 414 85 85 ILE CA C 64.941 0.30000 1 415 85 85 ILE CB C 37.484 0.30000 1 416 85 85 ILE N N 121.50 0.30000 1 417 86 86 ARG H H 8.4707 0.03000 1 418 86 86 ARG HA H 4.1856 0.03000 1 419 86 86 ARG CA C 60.202 0.30000 1 420 86 86 ARG CB C 30.026 0.30000 1 421 86 86 ARG N N 121.71 0.30000 1 422 87 87 GLU H H 8.2106 0.03000 1 423 87 87 GLU HA H 4.1789 0.03000 1 424 87 87 GLU CA C 58.995 0.30000 1 425 87 87 GLU CB C 29.201 0.30000 1 426 87 87 GLU N N 118.71 0.30000 1 427 88 88 ALA H H 8.0375 0.03000 1 428 88 88 ALA HA H 4.1803 0.03000 1 429 88 88 ALA CA C 55.275 0.30000 1 430 88 88 ALA CB C 17.936 0.30000 1 431 88 88 ALA N N 121.91 0.30000 1 432 89 89 PHE H H 8.6230 0.03000 1 433 89 89 PHE HA H 3.1885 0.03000 1 434 89 89 PHE CA C 62.283 0.30000 1 435 89 89 PHE CB C 39.238 0.30000 1 436 89 89 PHE N N 118.79 0.30000 1 437 90 90 ARG H H 7.7749 0.03000 1 438 90 90 ARG HA H 3.9060 0.03000 1 439 90 90 ARG CA C 58.950 0.30000 1 440 90 90 ARG CB C 30.414 0.30000 1 441 90 90 ARG N N 115.89 0.30000 1 442 91 91 VAL H H 7.5385 0.03000 1 443 91 91 VAL HA H 3.5149 0.03000 1 444 91 91 VAL CA C 65.726 0.30000 1 445 91 91 VAL CB C 31.579 0.30000 1 446 91 91 VAL N N 118.32 0.30000 1 447 92 92 PHE H H 7.3815 0.03000 1 448 92 92 PHE HA H 4.2472 0.03000 1 449 92 92 PHE CA C 60.241 0.30000 1 450 92 92 PHE CB C 40.951 0.30000 1 451 92 92 PHE N N 115.75 0.30000 1 452 93 93 ASP H H 7.8997 0.03000 1 453 93 93 ASP HA H 4.5899 0.03000 1 454 93 93 ASP CA C 52.466 0.30000 1 455 93 93 ASP CB C 38.478 0.30000 1 456 93 93 ASP N N 116.59 0.30000 1 457 94 94 LYS H H 7.7899 0.03000 1 458 94 94 LYS HA H 3.9454 0.03000 1 459 94 94 LYS CA C 59.072 0.30000 1 460 94 94 LYS CB C 32.589 0.30000 1 461 94 94 LYS N N 126.16 0.30000 1 462 95 95 ASP H H 8.2372 0.03000 1 463 95 95 ASP HA H 4.5785 0.03000 1 464 95 95 ASP CA C 53.120 0.30000 1 465 95 95 ASP CB C 40.043 0.30000 1 466 95 95 ASP N N 114.06 0.30000 1 467 96 96 GLY H H 7.8391 0.03000 1 468 96 96 GLY HA2 H 3.8258 0.03000 2 469 96 96 GLY HA3 H 3.8200 0.03000 2 470 96 96 GLY CA C 47.263 0.30000 1 471 96 96 GLY N N 109.41 0.30000 1 472 97 97 ASN H H 8.3768 0.03000 1 473 97 97 ASN HA H 4.6587 0.03000 1 474 97 97 ASN CA C 52.681 0.30000 1 475 97 97 ASN CB C 38.311 0.30000 1 476 97 97 ASN N N 119.63 0.30000 1 477 98 98 GLY H H 10.687 0.03000 1 478 98 98 GLY HA2 H 3.4730 0.03000 2 479 98 98 GLY HA3 H 4.0922 0.03000 2 480 98 98 GLY CA C 45.183 0.30000 1 481 98 98 GLY N N 112.97 0.30000 1 482 99 99 TYR H H 7.6712 0.03000 1 483 99 99 TYR HA H 5.0652 0.03000 1 484 99 99 TYR CA C 56.198 0.30000 1 485 99 99 TYR CB C 43.110 0.30000 1 486 99 99 TYR N N 116.08 0.30000 1 487 100 100 ILE H H 10.163 0.03000 1 488 100 100 ILE HA H 4.7801 0.03000 1 489 100 100 ILE CA C 60.731 0.30000 1 490 100 100 ILE CB C 39.050 0.30000 1 491 100 100 ILE N N 127.32 0.30000 1 492 101 101 SER H H 8.9705 0.03000 1 493 101 101 SER HA H 4.8977 0.03000 1 494 101 101 SER CA C 55.840 0.30000 1 495 101 101 SER CB C 66.799 0.30000 1 496 101 101 SER N N 123.81 0.30000 1 497 102 102 ALA H H 9.2694 0.03000 1 498 102 102 ALA HA H 3.9271 0.03000 1 499 102 102 ALA CA C 56.023 0.30000 1 500 102 102 ALA CB C 18.139 0.30000 1 501 102 102 ALA N N 123.13 0.30000 1 502 103 103 ALA H H 8.2940 0.03000 1 503 103 103 ALA HA H 4.0578 0.03000 1 504 103 103 ALA CA C 55.250 0.30000 1 505 103 103 ALA CB C 18.492 0.30000 1 506 103 103 ALA N N 118.46 0.30000 1 507 104 104 GLU H H 7.9385 0.03000 1 508 104 104 GLU HA H 4.0728 0.03000 1 509 104 104 GLU CA C 59.567 0.30000 1 510 104 104 GLU CB C 29.262 0.30000 1 511 104 104 GLU N N 120.07 0.30000 1 512 105 105 LEU H H 8.5338 0.03000 1 513 105 105 LEU HA H 4.1329 0.03000 1 514 105 105 LEU CA C 58.618 0.30000 1 515 105 105 LEU CB C 42.210 0.30000 1 516 105 105 LEU N N 120.99 0.30000 1 517 106 106 ARG H H 8.6674 0.03000 1 518 106 106 ARG HA H 3.8315 0.03000 1 519 106 106 ARG CA C 60.041 0.30000 1 520 106 106 ARG CB C 30.648 0.30000 1 521 106 106 ARG N N 117.58 0.30000 1 522 107 107 HIS H H 8.0707 0.03000 1 523 107 107 HIS HA H 4.3381 0.03000 1 524 107 107 HIS CA C 59.771 0.30000 1 525 107 107 HIS CB C 30.491 0.30000 1 526 107 107 HIS N N 118.88 0.30000 1 527 108 108 VAL H H 8.1074 0.03000 1 528 108 108 VAL HA H 3.5563 0.03000 1 529 108 108 VAL CA C 66.580 0.30000 1 530 108 108 VAL CB C 31.920 0.30000 1 531 108 108 VAL N N 119.17 0.30000 1 532 109 109 MET H H 8.2799 0.03000 1 533 109 109 MET HA H 4.3256 0.03000 1 534 109 109 MET CA C 57.824 0.30000 1 535 109 109 MET CB C 31.052 0.30000 1 536 109 109 MET N N 116.29 0.30000 1 537 110 110 THR H H 8.2441 0.03000 1 538 110 110 THR HA H 4.1658 0.03000 1 539 110 110 THR CA C 66.182 0.30000 1 540 110 110 THR CB C 68.951 0.30000 1 541 110 110 THR N N 115.19 0.30000 1 542 111 111 ASN H H 7.9038 0.03000 1 543 111 111 ASN HA H 4.5025 0.03000 1 544 111 111 ASN CA C 55.931 0.30000 1 545 111 111 ASN CB C 38.585 0.30000 1 546 111 111 ASN N N 122.31 0.30000 1 547 112 112 LEU H H 7.8725 0.03000 1 548 112 112 LEU HA H 4.3545 0.03000 1 549 112 112 LEU CA C 55.274 0.30000 1 550 112 112 LEU CB C 42.218 0.30000 1 551 112 112 LEU N N 118.85 0.30000 1 552 113 113 GLY H H 7.8441 0.03000 1 553 113 113 GLY HA2 H 3.7440 0.30000 2 554 113 113 GLY HA3 H 4.2373 0.03000 2 555 113 113 GLY CA C 45.596 0.30000 1 556 113 113 GLY N N 106.70 0.30000 1 557 114 114 GLU H H 7.9458 0.03000 1 558 114 114 GLU HA H 4.4594 0.03000 1 559 114 114 GLU CA C 55.046 0.30000 1 560 114 114 GLU CB C 30.469 0.30000 1 561 114 114 GLU N N 120.14 0.30000 1 562 115 115 LYS H H 8.6462 0.03000 1 563 115 115 LYS HA H 4.3941 0.03000 1 564 115 115 LYS CA C 55.794 0.30000 1 565 115 115 LYS CB C 32.191 0.30000 1 566 115 115 LYS N N 124.13 0.30000 1 567 116 116 LEU H H 8.0968 0.03000 1 568 116 116 LEU HA H 4.7933 0.03000 1 569 116 116 LEU CA C 54.127 0.30000 1 570 116 116 LEU CB C 44.934 0.30000 1 571 116 116 LEU N N 124.84 0.30000 1 572 117 117 THR H H 9.2524 0.03000 1 573 117 117 THR HA H 4.4919 0.03000 1 574 117 117 THR CA C 60.751 0.30000 1 575 117 117 THR CB C 71.303 0.30000 1 576 117 117 THR N N 114.69 0.30000 1 577 118 118 ASP H H 8.9362 0.03000 1 578 118 118 ASP HA H 4.2322 0.03000 1 579 118 118 ASP CA C 58.080 0.30000 1 580 118 118 ASP CB C 39.870 0.30000 1 581 118 118 ASP N N 121.13 0.30000 1 582 119 119 GLU H H 8.7152 0.03000 1 583 119 119 GLU HA H 4.1172 0.03000 1 584 119 119 GLU CA C 60.043 0.30000 1 585 119 119 GLU CB C 29.135 0.30000 1 586 119 119 GLU N N 119.11 0.30000 1 587 120 120 GLU H H 7.8090 0.03000 1 588 120 120 GLU HA H 4.0621 0.03000 1 589 120 120 GLU CA C 59.138 0.30000 1 590 120 120 GLU CB C 30.420 0.30000 1 591 120 120 GLU N N 120.68 0.30000 1 592 121 121 VAL H H 8.0789 0.03000 1 593 121 121 VAL HA H 3.6367 0.03000 1 594 121 121 VAL CA C 67.003 0.30000 1 595 121 121 VAL CB C 31.463 0.30000 1 596 121 121 VAL N N 120.66 0.30000 1 597 122 122 ASP H H 8.1237 0.03000 1 598 122 122 ASP HA H 4.3495 0.03000 1 599 122 122 ASP CA C 57.718 0.30000 1 600 122 122 ASP CB C 40.593 0.30000 1 601 122 122 ASP N N 119.59 0.30000 1 602 123 123 GLU H H 8.0336 0.03000 1 603 123 123 GLU HA H 4.0508 0.03000 1 604 123 123 GLU CA C 59.144 0.30000 1 605 123 123 GLU CB C 29.161 0.30000 1 606 123 123 GLU N N 119.76 0.30000 1 607 124 124 MET H H 7.8706 0.03000 1 608 124 124 MET HA H 4.0239 0.03000 1 609 124 124 MET CA C 59.353 0.30000 1 610 124 124 MET CB C 33.497 0.30000 1 611 124 124 MET N N 119.58 0.30000 1 612 125 125 ILE H H 7.9530 0.03000 1 613 125 125 ILE HA H 3.5243 0.03000 1 614 125 125 ILE CA C 63.855 0.30000 1 615 125 125 ILE CB C 36.457 0.30000 1 616 125 125 ILE N N 118.21 0.30000 1 617 126 126 ARG H H 8.2278 0.03000 1 618 126 126 ARG HA H 4.0377 0.03000 1 619 126 126 ARG CA C 59.809 0.30000 1 620 126 126 ARG CB C 30.311 0.30000 1 621 126 126 ARG N N 118.42 0.30000 1 622 127 127 GLU H H 7.9500 0.03000 1 623 127 127 GLU HA H 4.0259 0.03000 1 624 127 127 GLU CA C 58.489 0.30000 1 625 127 127 GLU CB C 29.435 0.30000 1 626 127 127 GLU N N 115.83 0.30000 1 627 128 128 ALA H H 7.3865 0.03000 1 628 128 128 ALA HA H 4.4438 0.03000 1 629 128 128 ALA CA C 52.125 0.30000 1 630 128 128 ALA CB C 21.322 0.30000 1 631 128 128 ALA N N 119.01 0.30000 1 632 129 129 ASP H H 7.9126 0.03000 1 633 129 129 ASP HA H 4.5165 0.03000 1 634 129 129 ASP CA C 54.190 0.30000 1 635 129 129 ASP CB C 40.587 0.30000 1 636 129 129 ASP N N 117.79 0.30000 1 637 130 130 ILE H H 8.3319 0.03000 1 638 130 130 ILE HA H 3.9385 0.03000 1 639 130 130 ILE CA C 63.431 0.30000 1 640 130 130 ILE CB C 38.748 0.30000 1 641 130 130 ILE N N 127.77 0.30000 1 642 131 131 ASP H H 8.3711 0.03000 1 643 131 131 ASP HA H 4.4932 0.03000 1 644 131 131 ASP CA C 53.734 0.30000 1 645 131 131 ASP CB C 40.062 0.30000 1 646 131 131 ASP N N 116.68 0.30000 1 647 132 132 GLY H H 7.6363 0.03000 1 648 132 132 GLY HA2 H 3.8380 0.03000 2 649 132 132 GLY HA3 H 4.0038 0.03000 2 650 132 132 GLY CA C 47.587 0.30000 1 651 132 132 GLY N N 108.68 0.30000 1 652 133 133 ASP H H 8.3782 0.03000 1 653 133 133 ASP HA H 4.5300 0.03000 1 654 133 133 ASP CA C 53.845 0.30000 1 655 133 133 ASP CB C 40.322 0.30000 1 656 133 133 ASP N N 120.93 0.30000 1 657 134 134 GLY H H 10.401 0.03000 1 658 134 134 GLY HA2 H 3.4430 0.03000 2 659 134 134 GLY HA3 H 4.0624 0.03000 2 660 134 134 GLY CA C 45.855 0.30000 1 661 134 134 GLY N N 112.99 0.30000 1 662 135 135 GLN H H 8.0067 0.03000 1 663 135 135 GLN HA H 4.8868 0.03000 1 664 135 135 GLN CA C 53.289 0.30000 1 665 135 135 GLN CB C 32.515 0.30000 1 666 135 135 GLN N N 115.49 0.30000 1 667 136 136 VAL H H 9.1666 0.03000 1 668 136 136 VAL HA H 5.2134 0.03000 1 669 136 136 VAL CA C 61.784 0.30000 1 670 136 136 VAL CB C 33.839 0.30000 1 671 136 136 VAL N N 125.48 0.30000 1 672 137 137 ASN H H 9.5758 0.03000 1 673 137 137 ASN HA H 5.2880 0.03000 1 674 137 137 ASN CA C 51.176 0.30000 1 675 137 137 ASN CB C 38.446 0.30000 1 676 137 137 ASN N N 129.14 0.30000 1 677 138 138 TYR H H 8.4641 0.03000 1 678 138 138 TYR HA H 3.4563 0.03000 1 679 138 138 TYR CA C 62.842 0.30000 1 680 138 138 TYR CB C 37.805 0.30000 1 681 138 138 TYR N N 118.60 0.30000 1 682 139 139 GLU H H 8.1521 0.03000 1 683 139 139 GLU HA H 3.6860 0.03000 1 684 139 139 GLU CA C 60.456 0.30000 1 685 139 139 GLU CB C 29.008 0.30000 1 686 139 139 GLU N N 118.47 0.30000 1 687 140 140 GLU H H 8.8145 0.03000 1 688 140 140 GLU HA H 4.0253 0.03000 1 689 140 140 GLU CA C 58.655 0.30000 1 690 140 140 GLU CB C 29.868 0.30000 1 691 140 140 GLU N N 119.97 0.30000 1 692 141 141 PHE H H 8.9271 0.03000 1 693 141 141 PHE HA H 4.0000 0.03000 1 694 141 141 PHE CA C 61.733 0.30000 1 695 141 141 PHE CB C 40.089 0.30000 1 696 141 141 PHE N N 124.86 0.30000 1 697 142 142 VAL H H 8.6353 0.03000 1 698 142 142 VAL HA H 3.1520 0.03000 1 699 142 142 VAL CA C 67.139 0.30000 1 700 142 142 VAL CB C 31.622 0.30000 1 701 142 142 VAL N N 119.40 0.30000 1 702 143 143 GLN H H 7.5160 0.03000 1 703 143 143 GLN HA H 3.9019 0.03000 1 704 143 143 GLN CA C 58.894 0.30000 1 705 143 143 GLN CB C 28.186 0.30000 1 706 143 143 GLN N N 118.42 0.30000 1 707 144 144 MET H H 7.8674 0.03000 1 708 144 144 MET HA H 4.1129 0.03000 1 709 144 144 MET CA C 58.360 0.30000 1 710 144 144 MET CB C 33.188 0.30000 1 711 144 144 MET N N 119.41 0.30000 1 712 145 145 MET H H 7.7956 0.03000 1 713 145 145 MET HA H 4.2635 0.03000 1 714 145 145 MET CA C 55.607 0.30000 1 715 145 145 MET CB C 32.224 0.30000 1 716 145 145 MET N N 114.77 0.30000 1 717 146 146 THR H H 7.5911 0.03000 1 718 146 146 THR HA H 4.3251 0.03000 1 719 146 146 THR CA C 62.420 0.30000 1 720 146 146 THR CB C 70.327 0.30000 1 721 146 146 THR N N 111.50 0.30000 1 722 147 147 ALA H H 7.8266 0.03000 1 723 147 147 ALA HA H 4.3192 0.03000 1 724 147 147 ALA CA C 52.991 0.30000 1 725 147 147 ALA CB C 19.162 0.30000 1 726 147 147 ALA N N 127.11 0.30000 1 727 148 148 LYS H H 7.8559 0.03000 1 728 148 148 LYS HA H 4.1595 0.03000 1 729 148 148 LYS CA C 57.542 0.30000 1 730 148 148 LYS CB C 33.828 0.30000 1 731 148 148 LYS N N 125.92 0.30000 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aromatic' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name peptide _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 1 201 1 MET H H 8.8539 0.03000 1 2 201 1 MET HA H 4.2770 0.03000 1 3 201 1 MET CA C 57.995 0.30000 1 4 201 1 MET CB C 33.086 0.30000 1 5 201 1 MET N N 126.64 0.30000 1 6 202 2 ASP H H 8.7939 0.03000 1 7 202 2 ASP HA H 4.3000 0.03000 1 8 203 3 VAL H H 7.7081 0.03000 1 9 203 3 VAL HA H 3.7090 0.03000 1 10 203 3 VAL CA C 65.391 0.30000 1 11 203 3 VAL CB C 32.060 0.30000 1 12 203 3 VAL N N 120.16 0.30000 1 13 204 4 PHE H H 7.9138 0.03000 1 14 204 4 PHE HA H 4.3960 0.03000 1 15 204 4 PHE CA C 60.690 0.30000 1 16 204 4 PHE CB C 39.520 0.30000 1 17 204 4 PHE N N 120.15 0.30000 1 18 205 5 MET H H 8.2888 0.03000 1 19 205 5 MET HA H 4.2650 0.03000 1 20 205 5 MET CA C 57.317 0.30000 1 21 205 5 MET CB C 32.545 0.30000 1 22 205 5 MET N N 116.99 0.30000 1 23 206 6 LYS H H 8.1390 0.03000 1 24 206 6 LYS HA H 4.1300 0.03000 1 25 207 7 GLY H H 8.2807 0.03000 1 26 207 7 GLY HA2 H 3.8890 0.03000 2 27 207 7 GLY HA3 H 3.8430 0.03000 2 28 207 7 GLY CA C 46.852 0.30000 1 29 207 7 GLY N N 107.76 0.30000 1 30 208 8 LEU H H 7.9918 0.03000 1 31 208 8 LEU HA H 4.1580 0.03000 1 32 208 8 LEU CA C 57.048 0.30000 1 33 208 8 LEU CB C 42.228 0.30000 1 34 208 8 LEU N N 121.18 0.30000 1 35 210 10 LYS H H 8.1100 0.03000 1 36 210 10 LYS HA H 4.2100 0.03000 1 37 211 11 ALA H H 8.2126 0.03000 1 38 211 11 ALA HA H 4.2210 0.03000 1 39 211 11 ALA CA C 54.124 0.30000 1 40 211 11 ALA CB C 19.048 0.30000 1 41 211 11 ALA N N 123.23 0.30000 1 42 212 12 LYS H H 8.1100 0.03000 1 43 212 12 LYS HA H 4.1270 0.03000 1 44 213 13 GLU H H 8.1200 0.03000 1 45 213 13 GLU HA H 4.1900 0.03000 1 46 214 14 GLY H H 8.3511 0.03000 1 47 214 14 GLY HA2 H 3.9530 0.03000 2 48 214 14 GLY HA3 H 3.9530 0.03000 2 49 214 14 GLY CA C 46.143 0.30000 1 50 214 14 GLY N N 108.55 0.30000 1 51 215 15 VAL H H 7.9169 0.03000 1 52 215 15 VAL HA H 4.0120 0.03000 1 53 215 15 VAL CA C 63.957 0.30000 1 54 215 15 VAL CB C 32.492 0.30000 1 55 215 15 VAL N N 120.05 0.30000 1 56 216 16 VAL H H 8.0178 0.03000 1 57 216 16 VAL HA H 3.9500 0.03000 1 58 216 16 VAL CA C 63.749 0.30000 1 59 216 16 VAL CB C 32.488 0.30000 1 60 216 16 VAL N N 121.98 0.30000 1 61 217 17 ALA H H 8.1763 0.03000 1 62 217 17 ALA HA H 4.2510 0.03000 1 63 217 17 ALA CA C 53.182 0.30000 1 64 217 17 ALA CB C 19.157 0.30000 1 65 217 17 ALA N N 123.23 0.30000 1 66 218 18 ALA H H 8.0436 0.03000 1 67 218 18 ALA HA H 4.2540 0.03000 1 68 218 18 ALA CA C 53.046 0.30000 1 69 218 18 ALA CB C 19.609 0.30000 1 70 218 18 ALA N N 122.47 0.30000 1 71 219 19 ALA H H 8.0591 0.03000 1 72 219 19 ALA HA H 4.2410 0.03000 1 73 219 19 ALA CA C 52.654 0.30000 1 74 219 19 ALA CB C 19.247 0.30000 1 75 219 19 ALA N N 122.90 0.30000 1 stop_ save_