data_18028 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of CaM bound to the eNOS CaM binding domain peptide ; _BMRB_accession_number 18028 _BMRB_flat_file_name bmr18028.str _Entry_type original _Submission_date 2011-10-29 _Accession_date 2011-10-29 _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 Piazza Michael . . 2 Futrega Kathryn . . 3 Spratt Donald E. . 4 Guillemette J. Guy . 5 Dieckmann Thorsten . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 733 "13C chemical shifts" 144 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18027 'CaM bound to iNOS peptides' stop_ _Original_release_date 2012-05-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Dynamics of Calmodulin (CaM) Bound to Nitric Oxide Synthase Peptides: Effects of a Phosphomimetic CaM Mutation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22486744 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Piazza Michael . . 2 Futrega Kathryn . . 3 Spratt Donald E. . 4 Dieckmann Thorsten . . 5 Guillemette J. Guy . stop_ _Journal_abbreviation Biochemistry _Journal_volume 51 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3651 _Page_last 3661 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CaM bound to NOS peptides' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CaM $CaM eNOS $eNOS 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_CaM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaM _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_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 ASN 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 2015-10-14 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 18556 Calmodulin 100.00 148 98.65 99.32 2.53e-98 BMRB 19036 calmodulin 100.00 148 100.00 100.00 4.69e-100 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_eNOS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common eNOS _Molecular_mass 1838.215 _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence KKTFKEVANAVKISASL loop_ _Residue_seq_code _Residue_label 1 LYS 2 LYS 3 THR 4 PHE 5 LYS 6 GLU 7 VAL 8 ALA 9 ASN 10 ALA 11 VAL 12 LYS 13 ILE 14 SER 15 ALA 16 SER 17 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 15185 eNOSp 100.00 20 100.00 100.00 8.54e-01 PDB 1NIW "Crystal Structure Of Endothelial Nitric Oxide Synthase Peptide Bound To Calmodulin" 100.00 20 100.00 100.00 8.54e-01 PDB 2LL7 "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" 100.00 17 100.00 100.00 1.15e+00 DBJ BAA05652 "endothelial nitric oxide synthase [Homo sapiens]" 100.00 1204 100.00 100.00 1.37e+00 DBJ BAD15356 "nitric oxide synthase 3 [Rattus norvegicus]" 100.00 1202 100.00 100.00 1.37e+00 DBJ BAD97356 "nitric oxide synthase 3 (endothelial cell) variant [Homo sapiens]" 100.00 1203 100.00 100.00 1.37e+00 DBJ BAF85617 "unnamed protein product [Homo sapiens]" 100.00 1203 100.00 100.00 1.37e+00 DBJ BAG37648 "unnamed protein product [Homo sapiens]" 100.00 1203 100.00 100.00 1.37e+00 EMBL CAA53950 "endothelial nitric oxide synthase [Homo sapiens]" 100.00 1203 100.00 100.00 1.37e+00 EMBL CAI10801 "endothelial nitric oxide synthase [Mesocricetus auratus]" 100.00 122 100.00 100.00 6.25e+00 GB AAA30494 "nitric oxide synthase [Bos taurus]" 100.00 1205 100.00 100.00 1.37e+00 GB AAA30667 "nitric oxide synthase [Bos taurus]" 100.00 1205 100.00 100.00 1.37e+00 GB AAA30669 "nitric oxide synthase [Bos taurus]" 100.00 1205 100.00 100.00 1.37e+00 GB AAA36364 "nitric oxide synthase [Homo sapiens]" 100.00 1203 100.00 100.00 1.37e+00 GB AAA36365 "nitric oxide synthase [Homo sapiens]" 100.00 1203 100.00 100.00 1.37e+00 PRF 2011304A "NO synthase" 100.00 1205 100.00 100.00 1.37e+00 REF NP_000594 "nitric oxide synthase, endothelial isoform 1 [Homo sapiens]" 100.00 1203 100.00 100.00 1.37e+00 REF NP_001003158 "nitric oxide synthase, endothelial [Canis lupus familiaris]" 100.00 1205 100.00 100.00 1.37e+00 REF NP_001076202 "nitric oxide synthase, endothelial [Oryctolagus cuniculus]" 100.00 1209 100.00 100.00 1.37e+00 REF NP_001123373 "nitric oxide synthase, endothelial [Ovis aries]" 100.00 1205 100.00 100.00 1.37e+00 REF NP_001153581 "nitric oxide synthase, endothelial isoform 2 [Homo sapiens]" 100.00 596 100.00 100.00 1.21e+00 SP P29473 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1205 100.00 100.00 1.37e+00 SP P29474 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1203 100.00 100.00 1.37e+00 SP P70313 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1202 100.00 100.00 1.37e+00 SP Q28969 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1205 100.00 100.00 1.37e+00 SP Q62600 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1202 100.00 100.00 1.37e+00 TPG DAA30266 "TPA: nitric oxide synthase, endothelial [Bos taurus]" 100.00 1205 100.00 100.00 1.37e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaM Human 9606 Eukaryota Metazoa Homo sapiens $eNOS 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 $CaM 'recombinant technology' . Escherichia coli . pET9dCaM $eNOS 'recombinant technology' . Escherichia coli . N/A 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 $CaM 1.0 mM '[U-99% 13C; U-99% 15N]' $eNOS 1.0 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'sodium azide' 0.2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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 6.0 . 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 TMS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 TMS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 TMS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CaM _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 8.502 0.020 1 2 2 2 ASP HA H 4.585 0.020 1 3 2 2 ASP CA C 51.960 0.3 1 4 2 2 ASP N N 120.349 0.3 1 5 3 3 GLN H H 8.200 0.020 1 6 3 3 GLN HA H 4.212 0.020 1 7 3 3 GLN CA C 52.735 0.3 1 8 3 3 GLN N N 119.648 0.3 1 9 4 4 LEU H H 8.181 0.020 1 10 4 4 LEU HA H 4.540 0.020 1 11 4 4 LEU HB2 H 1.584 0.020 1 12 4 4 LEU HB3 H 1.584 0.020 1 13 4 4 LEU HD1 H 0.751 0.020 1 14 4 4 LEU HD2 H 0.751 0.020 1 15 4 4 LEU CA C 51.658 0.3 1 16 4 4 LEU N N 123.025 0.3 1 17 5 5 THR H H 8.615 0.020 1 18 5 5 THR HA H 4.271 0.020 1 19 5 5 THR HG2 H 1.169 0.020 1 20 5 5 THR CA C 57.687 0.3 1 21 5 5 THR N N 112.894 0.3 1 22 6 6 GLU H H 8.882 0.020 1 23 6 6 GLU HA H 3.797 0.020 1 24 6 6 GLU HB2 H 1.880 0.020 1 25 6 6 GLU HB3 H 1.880 0.020 1 26 6 6 GLU HG2 H 2.219 0.020 1 27 6 6 GLU HG3 H 2.219 0.020 1 28 6 6 GLU CA C 57.247 0.3 1 29 6 6 GLU N N 120.209 0.3 1 30 7 7 GLU H H 8.545 0.020 1 31 7 7 GLU HA H 3.861 0.020 1 32 7 7 GLU HB2 H 1.846 0.020 1 33 7 7 GLU HB3 H 1.846 0.020 1 34 7 7 GLU HG2 H 2.178 0.020 1 35 7 7 GLU HG3 H 2.178 0.020 1 36 7 7 GLU CA C 57.198 0.3 1 37 7 7 GLU N N 119.415 0.3 1 38 8 8 GLN H H 7.587 0.020 1 39 8 8 GLN HA H 3.861 0.020 1 40 8 8 GLN HB2 H 1.781 0.020 1 41 8 8 GLN HB3 H 1.781 0.020 1 42 8 8 GLN HG2 H 2.175 0.020 1 43 8 8 GLN HG3 H 2.175 0.020 1 44 8 8 GLN CA C 55.976 0.3 1 45 8 8 GLN N N 119.809 0.3 1 46 9 9 ILE H H 8.268 0.020 1 47 9 9 ILE HA H 3.712 0.020 1 48 9 9 ILE HB H 1.773 0.020 1 49 9 9 ILE HG12 H 0.943 0.020 1 50 9 9 ILE HG13 H 0.943 0.020 1 51 9 9 ILE HD1 H 0.708 0.020 1 52 9 9 ILE CA C 63.796 0.3 1 53 9 9 ILE N N 119.415 0.3 1 54 10 10 ALA H H 7.840 0.020 1 55 10 10 ALA HA H 3.925 0.020 1 56 10 10 ALA HB H 1.347 0.020 1 57 10 10 ALA CA C 52.702 0.3 1 58 10 10 ALA N N 121.044 0.3 1 59 11 11 GLU H H 7.635 0.020 1 60 11 11 GLU HA H 3.949 0.020 1 61 11 11 GLU HB2 H 1.808 0.020 1 62 11 11 GLU HB3 H 1.808 0.020 1 63 11 11 GLU HG2 H 2.175 0.020 1 64 11 11 GLU HG3 H 2.175 0.020 1 65 11 11 GLU CA C 56.563 0.3 1 66 11 11 GLU N N 119.113 0.3 1 67 12 12 PHE H H 8.446 0.020 1 68 12 12 PHE HA H 4.777 0.020 1 69 12 12 PHE HB2 H 3.350 0.020 1 70 12 12 PHE CA C 56.954 0.3 1 71 12 12 PHE N N 119.662 0.3 1 72 13 13 LYS H H 9.107 0.020 1 73 13 13 LYS HA H 3.903 0.020 1 74 13 13 LYS HB2 H 1.752 0.020 1 75 13 13 LYS HB3 H 1.752 0.020 1 76 13 13 LYS CA C 57.296 0.3 1 77 13 13 LYS N N 123.557 0.3 1 78 14 14 GLU H H 7.652 0.020 1 79 14 14 GLU HA H 3.949 0.020 1 80 14 14 GLU HB2 H 1.803 0.020 1 81 14 14 GLU HB3 H 1.803 0.020 1 82 14 14 GLU HG2 H 2.175 0.020 1 83 14 14 GLU HG3 H 2.175 0.020 1 84 14 14 GLU CA C 56.465 0.3 1 85 14 14 GLU N N 119.239 0.3 1 86 15 15 ALA H H 7.781 0.020 1 87 15 15 ALA HA H 3.993 0.020 1 88 15 15 ALA HB H 1.728 0.020 1 89 15 15 ALA CA C 52.751 0.3 1 90 15 15 ALA N N 122.048 0.3 1 91 16 16 PHE H H 8.767 0.020 1 92 16 16 PHE HA H 3.095 0.020 1 93 16 16 PHE HB2 H 2.669 0.020 1 94 16 16 PHE HB3 H 2.669 0.020 1 95 16 16 PHE HD1 H 6.477 0.020 1 96 16 16 PHE HD2 H 6.477 0.020 1 97 16 16 PHE HE1 H 6.903 0.020 1 98 16 16 PHE HE2 H 6.903 0.020 1 99 16 16 PHE HZ H 7.035 0.020 1 100 16 16 PHE CA C 59.544 0.3 1 101 16 16 PHE N N 118.962 0.3 1 102 17 17 SER H H 7.828 0.020 1 103 17 17 SER HA H 3.883 0.020 1 104 17 17 SER HB2 H 3.883 0.020 1 105 17 17 SER HB3 H 3.883 0.020 1 106 17 17 SER CA C 58.567 0.3 1 107 17 17 SER N N 111.534 0.3 1 108 18 18 LEU H H 7.240 0.020 1 109 18 18 LEU HA H 3.861 0.020 1 110 18 18 LEU HB2 H 1.449 0.020 1 111 18 18 LEU HB3 H 1.449 0.020 1 112 18 18 LEU HG H 1.454 0.020 1 113 18 18 LEU HD1 H 0.495 0.020 1 114 18 18 LEU HD2 H 0.644 0.020 1 115 18 18 LEU CA C 54.608 0.3 1 116 18 18 LEU N N 121.260 0.3 1 117 19 19 PHE H H 7.070 0.020 1 118 19 19 PHE HA H 3.963 0.020 1 119 19 19 PHE HB2 H 2.493 0.020 1 120 19 19 PHE HB3 H 2.493 0.020 1 121 19 19 PHE HD1 H 6.977 0.020 1 122 19 19 PHE HD2 H 6.977 0.020 1 123 19 19 PHE CA C 57.247 0.3 1 124 19 19 PHE N N 114.235 0.3 1 125 20 20 ASP H H 7.667 0.020 1 126 20 20 ASP HA H 4.343 0.020 1 127 20 20 ASP HB2 H 2.482 0.020 1 128 20 20 ASP HB3 H 2.482 0.020 1 129 20 20 ASP CA C 49.476 0.3 1 130 20 20 ASP N N 115.761 0.3 1 131 21 21 LYS H H 7.548 0.020 1 132 21 21 LYS HA H 3.786 0.020 1 133 21 21 LYS HB2 H 1.688 0.020 1 134 21 21 LYS HB3 H 1.688 0.020 1 135 21 21 LYS HG2 H 1.369 0.020 2 136 21 21 LYS HG3 H 1.283 0.020 2 137 21 21 LYS HD2 H 1.560 0.020 1 138 21 21 LYS HD3 H 1.560 0.020 1 139 21 21 LYS HE2 H 2.881 0.020 1 140 21 21 LYS HE3 H 2.881 0.020 1 141 21 21 LYS CA C 56.025 0.3 1 142 21 21 LYS N N 124.906 0.3 1 143 22 22 ASP H H 7.952 0.020 1 144 22 22 ASP HA H 4.431 0.020 1 145 22 22 ASP HB2 H 2.482 0.020 1 146 22 22 ASP HB3 H 2.898 0.020 2 147 22 22 ASP CA C 49.965 0.3 1 148 22 22 ASP N N 113.609 0.3 1 149 23 23 GLY H H 7.602 0.020 1 150 23 23 GLY HA2 H 3.686 0.020 1 151 23 23 GLY HA3 H 3.686 0.020 1 152 23 23 GLY CA C 44.442 0.3 1 153 23 23 GLY N N 109.369 0.3 1 154 24 24 ASP H H 8.266 0.020 1 155 24 24 ASP HA H 4.329 0.020 1 156 24 24 ASP HB2 H 2.881 0.020 1 157 24 24 ASP HB3 H 2.881 0.020 1 158 24 24 ASP CA C 51.040 0.3 1 159 24 24 ASP N N 120.643 0.3 1 160 25 25 GLY H H 10.543 0.020 1 161 25 25 GLY HA2 H 3.541 0.020 1 162 25 25 GLY HA3 H 3.541 0.020 2 163 25 25 GLY CA C 42.683 0.3 1 164 25 25 GLY N N 113.205 0.3 1 165 26 26 THR H H 8.020 0.020 1 166 26 26 THR HA H 5.140 0.020 1 167 26 26 THR HB H 3.688 0.020 1 168 26 26 THR HG2 H 0.861 0.020 1 169 26 26 THR CA C 56.954 0.3 1 170 26 26 THR N N 112.852 0.3 1 171 27 27 ILE H H 9.689 0.020 1 172 27 27 ILE HA H 4.670 0.020 1 173 27 27 ILE HB H 1.859 0.020 1 174 27 27 ILE HG12 H 0.890 0.020 1 175 27 27 ILE HG13 H 0.890 0.020 1 176 27 27 ILE HD1 H 0.655 0.020 1 177 27 27 ILE CA C 57.931 0.3 1 178 27 27 ILE N N 127.005 0.3 1 179 28 28 THR H H 8.275 0.020 1 180 28 28 THR HA H 4.713 0.020 1 181 28 28 THR HB H 3.840 0.020 1 182 28 28 THR HG2 H 0.718 0.020 1 183 28 28 THR CA C 56.612 0.3 1 184 28 28 THR N N 116.439 0.3 1 185 29 29 THR H H 9.057 0.020 1 186 29 29 THR HA H 3.612 0.020 1 187 29 29 THR HB H 4.015 0.020 1 188 29 29 THR HG2 H 1.102 0.020 1 189 29 29 THR CA C 63.845 0.3 1 190 29 29 THR N N 113.258 0.3 1 191 30 30 LYS H H 7.578 0.020 1 192 30 30 LYS HA H 4.003 0.020 1 193 30 30 LYS HB2 H 1.662 0.020 1 194 30 30 LYS HB3 H 1.662 0.020 1 195 30 30 LYS HG2 H 1.211 0.020 1 196 30 30 LYS HG3 H 1.211 0.020 1 197 30 30 LYS CA C 56.465 0.3 1 198 30 30 LYS N N 121.230 0.3 1 199 31 31 GLU H H 7.712 0.020 1 200 31 31 GLU HA H 3.840 0.020 1 201 31 31 GLU HB2 H 1.530 0.020 1 202 31 31 GLU HB3 H 1.920 0.020 2 203 31 31 GLU HG2 H 2.175 0.020 1 204 31 31 GLU HG3 H 2.175 0.020 1 205 31 31 GLU CA C 57.149 0.3 1 206 31 31 GLU N N 122.002 0.3 1 207 32 32 LEU H H 8.520 0.020 1 208 32 32 LEU HA H 3.925 0.020 1 209 32 32 LEU HB2 H 1.837 0.020 1 210 32 32 LEU HB3 H 1.837 0.020 1 211 32 32 LEU HG H 1.386 0.020 1 212 32 32 LEU CA C 55.529 0.3 1 213 32 32 LEU N N 119.182 0.3 1 214 33 33 GLY H H 8.384 0.020 1 215 33 33 GLY HA2 H 3.818 0.020 1 216 33 33 GLY HA3 H 3.392 0.020 2 217 33 33 GLY CA C 45.664 0.3 1 218 33 33 GLY N N 103.688 0.3 1 219 34 34 THR H H 7.928 0.020 1 220 34 34 THR HA H 3.816 0.020 1 221 34 34 THR HB H 4.158 0.020 1 222 34 34 THR HG2 H 1.124 0.020 1 223 34 34 THR CA C 64.285 0.3 1 224 34 34 THR N N 117.399 0.3 1 225 35 35 VAL H H 7.091 0.020 1 226 35 35 VAL N N 120.256 0.3 1 227 36 36 MET H H 8.321 0.020 1 228 36 36 MET HA H 3.861 0.020 1 229 36 36 MET HB2 H 1.715 0.020 1 230 36 36 MET HB3 H 1.715 0.020 1 231 36 36 MET HG2 H 1.978 0.020 1 232 36 36 MET HG3 H 1.978 0.020 1 233 36 36 MET CA C 57.101 0.3 1 234 36 36 MET N N 117.757 0.3 1 235 37 37 ARG H H 8.236 0.020 1 236 37 37 ARG HA H 4.654 0.020 1 237 37 37 ARG HB2 H 1.752 0.020 1 238 37 37 ARG HB3 H 1.752 0.020 1 239 37 37 ARG HG2 H 1.846 0.020 1 240 37 37 ARG HG3 H 1.846 0.020 1 241 37 37 ARG CA C 56.172 0.3 1 242 37 37 ARG N N 117.647 0.3 1 243 38 38 SER H H 7.874 0.020 1 244 38 38 SER HA H 4.074 0.020 1 245 38 38 SER HB2 H 3.581 0.020 1 246 38 38 SER HB3 H 3.581 0.020 1 247 38 38 SER CA C 59.251 0.3 1 248 38 38 SER N N 118.974 0.3 1 249 39 39 LEU H H 7.258 0.020 1 250 39 39 LEU HA H 4.074 0.020 1 251 39 39 LEU HB2 H 1.667 0.020 1 252 39 39 LEU HB3 H 1.667 0.020 1 253 39 39 LEU HG H 1.584 0.020 1 254 39 39 LEU HD1 H 0.517 0.020 1 255 39 39 LEU HD2 H 0.517 0.020 1 256 39 39 LEU CA C 51.333 0.3 1 257 39 39 LEU N N 118.804 0.3 1 258 40 40 GLY H H 7.462 0.020 1 259 40 40 GLY HA2 H 4.082 0.020 1 260 40 40 GLY HA3 H 4.082 0.020 2 261 40 40 GLY CA C 42.878 0.3 1 262 40 40 GLY N N 104.887 0.3 1 263 41 41 GLN H H 7.860 0.020 1 264 41 41 GLN HA H 4.390 0.020 1 265 41 41 GLN HB2 H 1.455 0.020 1 266 41 41 GLN HB3 H 1.455 0.020 1 267 41 41 GLN HG2 H 1.781 0.020 1 268 41 41 GLN HG3 H 1.781 0.020 1 269 41 41 GLN CA C 51.187 0.3 1 270 41 41 GLN N N 118.032 0.3 1 271 42 42 ASN H H 8.566 0.020 1 272 42 42 ASN HA H 5.054 0.020 1 273 42 42 ASN HB2 H 2.348 0.020 1 274 42 42 ASN HB3 H 2.348 0.020 2 275 42 42 ASN CA C 48.694 0.3 1 276 42 42 ASN N N 115.627 0.3 1 277 43 43 PRO HD2 H 3.448 0.020 1 278 44 44 THR H H 8.907 0.020 1 279 44 44 THR HA H 4.321 0.020 1 280 44 44 THR HB H 4.595 0.020 1 281 44 44 THR HG2 H 1.162 0.020 1 282 44 44 THR CA C 57.638 0.3 1 283 44 44 THR N N 113.553 0.3 1 284 45 45 GLU H H 8.654 0.020 1 285 45 45 GLU HA H 3.817 0.020 1 286 45 45 GLU HB2 H 1.868 0.020 1 287 45 45 GLU HB3 H 1.868 0.020 1 288 45 45 GLU HG2 H 2.175 0.020 1 289 45 45 GLU HG3 H 2.175 0.020 1 290 45 45 GLU CA C 57.101 0.3 1 291 45 45 GLU N N 120.447 0.3 1 292 46 46 ALA H H 8.137 0.020 1 293 46 46 ALA HA H 3.925 0.020 1 294 46 46 ALA HB H 1.220 0.020 1 295 46 46 ALA CA C 52.311 0.3 1 296 46 46 ALA N N 120.615 0.3 1 297 47 47 GLU H H 7.589 0.020 1 298 47 47 GLU HA H 3.876 0.020 1 299 47 47 GLU HB2 H 1.720 0.020 1 300 47 47 GLU HB3 H 1.720 0.020 1 301 47 47 GLU HG2 H 2.189 0.020 1 302 47 47 GLU HG3 H 2.189 0.020 1 303 47 47 GLU CA C 56.270 0.3 1 304 47 47 GLU N N 118.078 0.3 1 305 48 48 LEU H H 7.868 0.020 1 306 48 48 LEU HA H 3.927 0.020 1 307 48 48 LEU HB2 H 1.636 0.020 1 308 48 48 LEU HB3 H 1.636 0.020 1 309 48 48 LEU HG H 1.602 0.020 1 310 48 48 LEU HD1 H 0.696 0.020 1 311 48 48 LEU HD2 H 1.277 0.020 1 312 48 48 LEU CA C 55.048 0.3 1 313 48 48 LEU N N 120.241 0.3 1 314 49 49 GLN H H 8.031 0.020 1 315 49 49 GLN HA H 3.901 0.020 1 316 49 49 GLN HB2 H 1.978 0.020 1 317 49 49 GLN HB3 H 1.978 0.020 1 318 49 49 GLN HG2 H 2.219 0.020 1 319 49 49 GLN HG3 H 2.219 0.020 1 320 49 49 GLN CA C 55.732 0.3 1 321 49 49 GLN N N 117.939 0.3 1 322 50 50 ASP H H 8.010 0.020 1 323 50 50 ASP HA H 4.179 0.020 1 324 50 50 ASP HB2 H 2.555 0.020 1 325 50 50 ASP HB3 H 2.555 0.020 1 326 50 50 ASP CA C 54.706 0.3 1 327 50 50 ASP N N 119.284 0.3 1 328 51 51 MET H H 7.609 0.020 1 329 51 51 MET HA H 3.923 0.020 1 330 51 51 MET HB2 H 1.829 0.020 1 331 51 51 MET HB3 H 1.829 0.020 1 332 51 51 MET CA C 56.563 0.3 1 333 51 51 MET N N 119.253 0.3 1 334 52 52 ILE H H 7.514 0.020 1 335 52 52 ILE HA H 3.328 0.020 1 336 52 52 ILE HB H 1.786 0.020 1 337 52 52 ILE HG2 H 0.905 0.020 1 338 52 52 ILE HD1 H 0.554 0.020 1 339 52 52 ILE CA C 61.890 0.3 1 340 52 52 ILE N N 117.584 0.3 1 341 53 53 ASN H H 8.418 0.020 1 342 53 53 ASN HA H 4.222 0.020 1 343 53 53 ASN HB2 H 2.769 0.020 1 344 53 53 ASN HB3 H 2.769 0.020 1 345 53 53 ASN CA C 53.093 0.3 1 346 53 53 ASN N N 117.126 0.3 1 347 54 54 GLU H H 7.460 0.020 1 348 54 54 GLU HA H 3.861 0.020 1 349 54 54 GLU HB2 H 1.956 0.020 1 350 54 54 GLU HB3 H 1.956 0.020 1 351 54 54 GLU HG2 H 2.241 0.020 1 352 54 54 GLU HG3 H 2.241 0.020 1 353 54 54 GLU CA C 56.123 0.3 1 354 54 54 GLU N N 116.395 0.3 1 355 55 55 VAL H H 7.044 0.020 1 356 55 55 VAL HA H 3.905 0.020 1 357 55 55 VAL HB H 1.912 0.020 1 358 55 55 VAL HG1 H 0.729 0.020 1 359 55 55 VAL HG2 H 0.729 0.020 1 360 55 55 VAL CA C 58.176 0.3 1 361 55 55 VAL N N 108.622 0.3 1 362 56 56 ASP H H 7.560 0.020 1 363 56 56 ASP HA H 4.463 0.020 1 364 56 56 ASP HB2 H 2.503 0.020 1 365 56 56 ASP HB3 H 2.503 0.020 1 366 56 56 ASP CA C 50.991 0.3 1 367 56 56 ASP N N 121.492 0.3 1 368 57 57 ALA H H 8.359 0.020 1 369 57 57 ALA HA H 4.053 0.020 1 370 57 57 ALA HB H 1.369 0.020 1 371 57 57 ALA CA C 51.480 0.3 1 372 57 57 ALA N N 131.811 0.3 1 373 58 58 ASP H H 7.978 0.020 1 374 58 58 ASP HA H 4.453 0.020 1 375 58 58 ASP HB2 H 2.876 0.020 1 376 58 58 ASP HB3 H 2.460 0.020 2 377 58 58 ASP CA C 49.916 0.3 1 378 58 58 ASP N N 113.609 0.3 1 379 59 59 GLY H H 7.424 0.020 1 380 59 59 GLY HA2 H 3.664 0.020 1 381 59 59 GLY HA3 H 3.664 0.020 1 382 59 59 GLY CA C 44.491 0.3 1 383 59 59 GLY N N 108.143 0.3 1 384 60 60 ASN H H 7.916 0.020 1 385 60 60 ASN HA H 4.492 0.020 1 386 60 60 ASN HB2 H 2.482 0.020 1 387 60 60 ASN HB3 H 2.482 0.020 1 388 60 60 ASN CA C 49.769 0.3 1 389 60 60 ASN N N 118.109 0.3 1 390 61 61 GLY H H 10.485 0.020 1 391 61 61 GLY HA2 H 4.031 0.020 1 392 61 61 GLY HA3 H 4.031 0.020 2 393 61 61 GLY CA C 42.878 0.3 1 394 61 61 GLY N N 113.247 0.3 1 395 62 62 THR H H 7.511 0.020 1 396 62 62 THR HA H 4.606 0.020 1 397 62 62 THR HB H 3.788 0.020 1 398 62 62 THR HG2 H 0.948 0.020 1 399 62 62 THR CA C 56.661 0.3 1 400 62 62 THR N N 108.699 0.3 1 401 63 63 ILE H H 8.732 0.020 1 402 63 63 ILE HA H 4.606 0.020 1 403 63 63 ILE HB H 1.859 0.020 1 404 63 63 ILE HG12 H 1.059 0.020 1 405 63 63 ILE HG13 H 1.059 0.020 1 406 63 63 ILE HG2 H 0.910 0.020 1 407 63 63 ILE HD1 H 0.590 0.020 1 408 63 63 ILE CA C 57.101 0.3 1 409 63 63 ILE N N 122.717 0.3 1 410 64 64 ASP H H 8.707 0.020 1 411 64 64 ASP HA H 5.075 0.020 1 412 64 64 ASP HB2 H 2.668 0.020 1 413 64 64 ASP HB3 H 2.945 0.020 2 414 64 64 ASP CA C 49.378 0.3 1 415 64 64 ASP N N 127.818 0.3 1 416 65 65 PHE H H 8.847 0.020 1 417 65 65 PHE HA H 3.861 0.020 1 418 65 65 PHE HB2 H 1.824 0.020 1 419 65 65 PHE HB3 H 1.824 0.020 1 420 65 65 PHE HD1 H 6.590 0.020 1 421 65 65 PHE HD2 H 6.590 0.020 1 422 65 65 PHE HZ H 7.035 0.020 1 423 65 65 PHE CA C 60.717 0.3 1 424 65 65 PHE N N 118.653 0.3 1 425 67 67 GLU H H 7.948 0.020 1 426 67 67 GLU HA H 3.861 0.020 1 427 67 67 GLU HB2 H 1.868 0.020 1 428 67 67 GLU HB3 H 1.868 0.020 1 429 67 67 GLU HG2 H 2.394 0.020 1 430 67 67 GLU HG3 H 2.394 0.020 1 431 67 67 GLU CA C 56.337 0.3 1 432 67 67 GLU N N 117.690 0.3 1 433 68 68 PHE H H 8.760 0.020 1 434 68 68 PHE HA H 3.840 0.020 1 435 68 68 PHE HB2 H 3.371 0.020 1 436 68 68 PHE HB3 H 3.371 0.020 1 437 68 68 PHE HD1 H 6.844 0.020 1 438 68 68 PHE HD2 H 6.844 0.020 1 439 68 68 PHE HE1 H 6.502 0.020 1 440 68 68 PHE HE2 H 6.502 0.020 1 441 68 68 PHE HZ H 7.001 0.020 1 442 68 68 PHE CA C 58.727 0.3 1 443 68 68 PHE N N 123.348 0.3 1 444 69 69 LEU H H 8.400 0.020 1 445 69 69 LEU HA H 3.801 0.020 1 446 69 69 LEU HB2 H 1.361 0.020 1 447 69 69 LEU HB3 H 1.361 0.020 1 448 69 69 LEU HG H 1.361 0.020 1 449 69 69 LEU HD1 H 0.992 0.020 1 450 69 69 LEU HD2 H 0.992 0.020 1 451 69 69 LEU CA C 55.158 0.3 1 452 69 69 LEU N N 118.822 0.3 1 453 70 70 THR H H 7.540 0.020 1 454 70 70 THR HA H 3.641 0.020 1 455 70 70 THR HB H 4.168 0.020 1 456 70 70 THR HG2 H 1.036 0.020 1 457 70 70 THR CA C 63.843 0.3 1 458 70 70 THR N N 116.379 0.3 1 459 71 71 MET H H 7.721 0.020 1 460 71 71 MET HA H 3.752 0.020 1 461 71 71 MET HB2 H 1.671 0.020 1 462 71 71 MET HB3 H 1.671 0.020 1 463 71 71 MET HG2 H 2.197 0.020 1 464 71 71 MET HG3 H 2.197 0.020 1 465 71 71 MET CA C 56.303 0.3 1 466 71 71 MET N N 121.678 0.3 1 467 72 72 MET H H 7.969 0.020 1 468 72 72 MET HA H 3.774 0.020 1 469 72 72 MET HB2 H 1.890 0.020 1 470 72 72 MET HB3 H 1.890 0.020 1 471 72 72 MET HG2 H 2.065 0.020 1 472 72 72 MET HG3 H 2.065 0.020 1 473 72 72 MET CA C 53.307 0.3 1 474 72 72 MET N N 116.476 0.3 1 475 73 73 ALA H H 8.059 0.020 1 476 73 73 ALA HA H 3.880 0.020 1 477 73 73 ALA HB H 1.252 0.020 1 478 73 73 ALA CA C 52.095 0.3 1 479 73 73 ALA N N 121.540 0.3 1 480 74 74 ARG H H 7.353 0.020 1 481 74 74 ARG HA H 3.883 0.020 1 482 74 74 ARG HB2 H 1.671 0.020 1 483 74 74 ARG HB3 H 1.671 0.020 1 484 74 74 ARG HD2 H 2.963 0.020 1 485 74 74 ARG HD3 H 2.963 0.020 1 486 74 74 ARG CA C 55.731 0.3 1 487 74 74 ARG N N 115.761 0.3 1 488 75 75 LYS H H 7.621 0.020 1 489 75 75 LYS HA H 3.905 0.020 1 490 75 75 LYS HB2 H 1.693 0.020 1 491 75 75 LYS HB3 H 1.693 0.020 1 492 75 75 LYS HG2 H 1.277 0.020 1 493 75 75 LYS HG3 H 1.277 0.020 1 494 75 75 LYS HD2 H 1.540 0.020 1 495 75 75 LYS HD3 H 1.540 0.020 1 496 75 75 LYS HE2 H 2.898 0.020 1 497 75 75 LYS HE3 H 2.898 0.020 1 498 75 75 LYS CA C 53.947 0.3 1 499 75 75 LYS N N 117.213 0.3 1 500 76 76 MET H H 7.779 0.020 1 501 76 76 MET HA H 4.212 0.020 1 502 76 76 MET HB2 H 2.483 0.020 1 503 76 76 MET HB3 H 2.483 0.020 1 504 76 76 MET HG2 H 2.591 0.020 1 505 76 76 MET HG3 H 2.591 0.020 1 506 76 76 MET CA C 53.947 0.3 1 507 76 76 MET N N 117.986 0.3 1 508 77 77 LYS H H 7.646 0.020 1 509 77 77 LYS HA H 4.212 0.020 1 510 77 77 LYS HB2 H 1.364 0.020 1 511 77 77 LYS HB3 H 1.364 0.020 1 512 77 77 LYS HG2 H 1.277 0.020 1 513 77 77 LYS HG3 H 1.277 0.020 1 514 77 77 LYS HD2 H 1.693 0.020 1 515 77 77 LYS HD3 H 1.693 0.020 1 516 77 77 LYS CA C 54.283 0.3 1 517 77 77 LYS N N 119.979 0.3 1 518 78 78 ASP H H 8.007 0.020 1 519 78 78 ASP HA H 4.562 0.020 1 520 78 78 ASP HB2 H 2.547 0.020 1 521 78 78 ASP HB3 H 2.547 0.020 1 522 78 78 ASP CA C 52.061 0.3 1 523 78 78 ASP N N 119.333 0.3 1 524 79 79 THR H H 7.590 0.020 1 525 79 79 THR HA H 4.625 0.020 1 526 79 79 THR HB H 4.168 0.020 1 527 79 79 THR HG2 H 1.080 0.020 1 528 79 79 THR CA C 59.030 0.3 1 529 79 79 THR N N 112.721 0.3 1 530 80 80 ASP H H 8.349 0.020 1 531 80 80 ASP HA H 4.180 0.020 1 532 80 80 ASP HB2 H 2.585 0.020 1 533 80 80 ASP HB3 H 2.585 0.020 1 534 80 80 ASP CA C 50.850 0.3 1 535 80 80 ASP N N 122.829 0.3 1 536 81 81 SER H H 8.235 0.020 1 537 81 81 SER HA H 3.861 0.020 1 538 81 81 SER HB2 H 3.796 0.020 1 539 81 81 SER HB3 H 3.796 0.020 1 540 81 81 SER CA C 57.717 0.3 1 541 81 81 SER N N 117.571 0.3 1 542 82 82 GLU H H 8.372 0.020 1 543 82 82 GLU HA H 3.883 0.020 1 544 82 82 GLU HB2 H 1.965 0.020 1 545 82 82 GLU HG2 H 2.175 0.020 1 546 82 82 GLU CA C 56.707 0.3 1 547 82 82 GLU N N 121.904 0.3 1 548 83 83 GLU H H 8.036 0.020 1 549 83 83 GLU HA H 3.883 0.020 1 550 83 83 GLU HB2 H 1.956 0.020 1 551 83 83 GLU HB3 H 1.956 0.020 1 552 83 83 GLU HG2 H 2.219 0.020 1 553 83 83 GLU HG3 H 2.219 0.020 1 554 83 83 GLU CA C 56.606 0.3 1 555 83 83 GLU N N 119.340 0.3 1 556 84 84 GLU H H 8.153 0.020 1 557 84 84 GLU HA H 3.871 0.020 1 558 84 84 GLU HB2 H 1.917 0.020 1 559 84 84 GLU HB3 H 1.917 0.020 1 560 84 84 GLU HG2 H 2.226 0.020 1 561 84 84 GLU HG3 H 2.226 0.020 1 562 84 84 GLU CA C 56.606 0.3 1 563 84 84 GLU N N 118.279 0.3 1 564 85 85 ILE H H 7.910 0.020 1 565 85 85 ILE HA H 3.584 0.020 1 566 85 85 ILE HB H 1.759 0.020 1 567 85 85 ILE HG12 H 0.970 0.020 1 568 85 85 ILE HG13 H 0.970 0.020 1 569 85 85 ILE HG2 H 1.562 0.020 1 570 85 85 ILE HD1 H 0.686 0.020 1 571 85 85 ILE CA C 63.439 0.3 1 572 85 85 ILE N N 120.905 0.3 1 573 86 86 ARG H H 8.227 0.020 1 574 86 86 ARG HA H 3.927 0.020 1 575 86 86 ARG HB2 H 1.781 0.020 1 576 86 86 ARG HB3 H 1.781 0.020 1 577 86 86 ARG HG2 H 1.496 0.020 1 578 86 86 ARG HG3 H 1.496 0.020 1 579 86 86 ARG HD2 H 2.810 0.020 1 580 86 86 ARG HD3 H 2.810 0.020 1 581 86 86 ARG CA C 57.515 0.3 1 582 86 86 ARG N N 121.722 0.3 1 583 87 87 GLU H H 8.156 0.020 1 584 87 87 GLU HA H 3.861 0.020 1 585 87 87 GLU HB2 H 1.890 0.020 1 586 87 87 GLU HB3 H 1.890 0.020 1 587 87 87 GLU HG2 H 2.175 0.020 1 588 87 87 GLU HG3 H 2.175 0.020 1 589 87 87 GLU CA C 56.606 0.3 1 590 87 87 GLU N N 118.369 0.3 1 591 88 88 ALA H H 7.884 0.020 1 592 88 88 ALA HA H 3.949 0.020 1 593 88 88 ALA HB H 1.605 0.020 1 594 88 88 ALA CA C 52.263 0.3 1 595 88 88 ALA N N 120.389 0.3 1 596 89 89 PHE H H 8.446 0.020 1 597 89 89 PHE HA H 3.115 0.020 1 598 89 89 PHE HB2 H 1.917 0.020 1 599 89 89 PHE HB3 H 1.917 0.020 1 600 89 89 PHE HD1 H 6.613 0.020 1 601 89 89 PHE HD2 H 6.613 0.020 1 602 89 89 PHE HE1 H 6.921 0.020 1 603 89 89 PHE HE2 H 6.921 0.020 1 604 89 89 PHE CA C 59.703 0.3 1 605 89 89 PHE N N 118.191 0.3 1 606 90 90 ARG H H 7.762 0.020 1 607 90 90 ARG HA H 3.905 0.020 1 608 90 90 ARG HB2 H 1.803 0.020 1 609 90 90 ARG HB3 H 1.803 0.020 1 610 90 90 ARG HG2 H 1.562 0.020 1 611 90 90 ARG HG3 H 1.562 0.020 1 612 90 90 ARG HD2 H 3.073 0.020 1 613 90 90 ARG HD3 H 3.073 0.020 1 614 90 90 ARG CA C 56.168 0.3 1 615 90 90 ARG N N 116.070 0.3 1 616 91 91 VAL H H 7.229 0.020 1 617 91 91 VAL HA H 3.243 0.020 1 618 91 91 VAL HB H 1.901 0.020 1 619 91 91 VAL HG1 H 0.346 0.020 1 620 91 91 VAL HG2 H 0.815 0.020 1 621 91 91 VAL CA C 63.357 0.3 1 622 91 91 VAL N N 118.202 0.3 1 623 92 92 PHE H H 6.690 0.020 1 624 92 92 PHE HA H 3.967 0.020 1 625 92 92 PHE HD1 H 6.373 0.020 1 626 92 92 PHE HD2 H 6.373 0.020 1 627 92 92 PHE CA C 58.029 0.3 1 628 92 92 PHE N N 113.143 0.3 1 629 93 93 ASP H H 7.860 0.020 1 630 93 93 ASP HA H 4.436 0.020 1 631 93 93 ASP HB2 H 2.547 0.020 1 632 93 93 ASP HB3 H 2.547 0.020 1 633 93 93 ASP CA C 49.525 0.3 1 634 93 93 ASP N N 116.549 0.3 1 635 94 94 LYS H H 7.595 0.020 1 636 94 94 LYS HA H 3.776 0.020 1 637 94 94 LYS HB2 H 1.667 0.020 1 638 94 94 LYS HB3 H 1.667 0.020 1 639 94 94 LYS HG2 H 1.369 0.020 2 640 94 94 LYS HG3 H 1.283 0.020 2 641 94 94 LYS HD2 H 1.560 0.020 1 642 94 94 LYS HD3 H 1.560 0.020 1 643 94 94 LYS CA C 55.976 0.3 1 644 94 94 LYS N N 125.339 0.3 1 645 95 95 ASP H H 8.091 0.020 1 646 95 95 ASP HA H 4.415 0.020 1 647 95 95 ASP HB2 H 2.924 0.020 1 648 95 95 ASP HB3 H 2.498 0.020 2 649 95 95 ASP CA C 50.307 0.3 1 650 95 95 ASP N N 114.015 0.3 1 651 96 96 GLY H H 7.659 0.020 1 652 96 96 GLY HA2 H 3.686 0.020 1 653 96 96 GLY HA3 H 3.686 0.020 1 654 96 96 GLY CA C 44.344 0.3 1 655 96 96 GLY N N 109.044 0.3 1 656 97 97 ASN H H 8.243 0.020 1 657 97 97 ASN HA H 4.500 0.020 1 658 97 97 ASN HB2 H 3.271 0.020 1 659 97 97 ASN HB3 H 3.271 0.020 1 660 97 97 ASN CA C 49.916 0.3 1 661 97 97 ASN N N 119.575 0.3 1 662 98 98 GLY H H 10.445 0.020 1 663 98 98 GLY HA2 H 3.967 0.020 1 664 98 98 GLY HA3 H 3.967 0.020 2 665 98 98 GLY CA C 42.292 0.3 1 666 98 98 GLY N N 112.392 0.3 1 667 99 99 TYR H H 7.568 0.020 1 668 99 99 TYR HA H 4.841 0.020 1 669 99 99 TYR HB2 H 2.412 0.020 1 670 99 99 TYR HB3 H 2.412 0.020 1 671 99 99 TYR HD1 H 6.736 0.020 1 672 99 99 TYR HD2 H 6.736 0.020 1 673 99 99 TYR CA C 53.582 0.3 1 674 99 99 TYR N N 116.256 0.3 1 675 100 100 ILE H H 9.957 0.020 1 676 100 100 ILE HA H 4.457 0.020 1 677 100 100 ILE HB H 1.731 0.020 1 678 100 100 ILE HG2 H 0.751 0.020 1 679 100 100 ILE HD1 H 1.197 0.020 1 680 100 100 ILE CA C 58.616 0.3 1 681 100 100 ILE N N 127.103 0.3 1 682 101 101 SER H H 8.845 0.020 1 683 101 101 SER HA H 4.711 0.020 1 684 101 101 SER HB2 H 3.818 0.020 1 685 101 101 SER HB3 H 3.818 0.020 1 686 101 101 SER CA C 52.897 0.3 1 687 101 101 SER N N 123.768 0.3 1 688 102 102 ALA H H 9.185 0.020 1 689 102 102 ALA HA H 3.733 0.020 1 690 102 102 ALA HB H 1.305 0.020 1 691 102 102 ALA CA C 53.093 0.3 1 692 102 102 ALA N N 122.940 0.3 1 693 103 103 ALA H H 8.132 0.020 1 694 103 103 ALA HA H 3.861 0.020 1 695 103 103 ALA HB H 1.262 0.020 1 696 103 103 ALA CA C 52.409 0.3 1 697 103 103 ALA N N 118.443 0.3 1 698 104 104 GLU H H 7.782 0.020 1 699 104 104 GLU HA H 3.839 0.020 1 700 104 104 GLU HB2 H 1.917 0.020 1 701 104 104 GLU HB3 H 1.917 0.020 1 702 104 104 GLU HG2 H 2.260 0.020 1 703 104 104 GLU HG3 H 2.260 0.020 1 704 104 104 GLU CA C 56.563 0.3 1 705 104 104 GLU N N 120.268 0.3 1 706 105 105 LEU H H 8.231 0.020 1 707 105 105 LEU HA H 3.962 0.020 1 708 105 105 LEU HB2 H 1.743 0.020 1 709 105 105 LEU HB3 H 1.743 0.020 1 710 105 105 LEU HG H 1.577 0.020 1 711 105 105 LEU HD1 H 0.773 0.020 1 712 105 105 LEU HD2 H 1.036 0.020 1 713 105 105 LEU CA C 55.732 0.3 1 714 105 105 LEU N N 121.501 0.3 1 715 106 106 ARG H H 8.774 0.020 1 716 106 106 ARG HA H 3.861 0.020 1 717 106 106 ARG HB2 H 1.803 0.020 1 718 106 106 ARG HB3 H 1.803 0.020 1 719 106 106 ARG HG2 H 1.452 0.020 1 720 106 106 ARG HG3 H 1.452 0.020 1 721 106 106 ARG HD2 H 3.076 0.020 1 722 106 106 ARG HD3 H 3.076 0.020 2 723 106 106 ARG CA C 57.345 0.3 1 724 106 106 ARG N N 118.625 0.3 1 725 107 107 HIS H H 7.946 0.020 1 726 107 107 HIS HA H 3.876 0.020 1 727 107 107 HIS HB2 H 1.837 0.020 1 728 107 107 HIS HB3 H 1.837 0.020 1 729 107 107 HIS CA C 56.807 0.3 1 730 107 107 HIS N N 119.052 0.3 1 731 108 108 VAL H H 7.713 0.020 1 732 108 108 VAL HA H 3.442 0.020 1 733 108 108 VAL HB H 1.978 0.020 1 734 108 108 VAL HG1 H 0.466 0.020 1 735 108 108 VAL HG2 H 0.861 0.020 1 736 108 108 VAL CA C 64.285 0.3 1 737 108 108 VAL N N 119.160 0.3 1 738 109 109 MET H H 8.130 0.020 1 739 109 109 MET HA H 4.139 0.020 1 740 109 109 MET HB2 H 1.781 0.020 1 741 109 109 MET HB3 H 1.781 0.020 1 742 109 109 MET HG2 H 2.038 0.020 1 743 109 109 MET HG3 H 2.038 0.020 1 744 109 109 MET CA C 54.461 0.3 1 745 109 109 MET N N 115.318 0.3 1 746 110 110 THR H H 8.515 0.020 1 747 110 110 THR HA H 3.879 0.020 1 748 110 110 THR HB H 4.168 0.020 1 749 110 110 THR HG2 H 1.080 0.020 1 750 110 110 THR CA C 63.845 0.3 1 751 110 110 THR N N 116.846 0.3 1 752 111 111 ASN H H 7.877 0.020 1 753 111 111 ASN HA H 4.202 0.020 1 754 111 111 ASN HB2 H 2.689 0.020 1 755 111 111 ASN HB3 H 2.881 0.020 2 756 111 111 ASN CA C 53.093 0.3 1 757 111 111 ASN N N 123.887 0.3 1 758 112 112 LEU H H 7.672 0.020 1 759 112 112 LEU HA H 4.124 0.020 1 760 112 112 LEU HB2 H 1.671 0.020 1 761 112 112 LEU HB3 H 1.671 0.020 1 762 112 112 LEU HD1 H 0.576 0.020 1 763 112 112 LEU HD2 H 0.576 0.020 1 764 112 112 LEU CA C 52.653 0.3 1 765 112 112 LEU N N 118.372 0.3 1 766 113 113 GLY H H 7.704 0.020 1 767 113 113 GLY HA2 H 4.124 0.020 1 768 113 113 GLY HA3 H 4.124 0.020 2 769 113 113 GLY CA C 42.536 0.3 1 770 113 113 GLY N N 106.860 0.3 1 771 114 114 GLU H H 7.871 0.020 1 772 114 114 GLU HA H 4.168 0.020 1 773 114 114 GLU HB2 H 1.518 0.020 1 774 114 114 GLU HB3 H 1.518 0.020 1 775 114 114 GLU HG2 H 1.803 0.020 1 776 114 114 GLU HG3 H 1.803 0.020 1 777 114 114 GLU CA C 52.067 0.3 1 778 114 114 GLU N N 120.133 0.3 1 779 115 115 LYS H H 8.494 0.020 1 780 115 115 LYS HA H 4.223 0.020 1 781 115 115 LYS HB2 H 1.773 0.020 1 782 115 115 LYS HB3 H 1.773 0.020 1 783 115 115 LYS HG2 H 1.198 0.020 1 784 115 115 LYS HG3 H 1.198 0.020 2 785 115 115 LYS HD2 H 1.496 0.020 1 786 115 115 LYS HD3 H 1.496 0.020 1 787 115 115 LYS CA C 52.848 0.3 1 788 115 115 LYS N N 124.987 0.3 1 789 116 116 LEU H H 7.978 0.020 1 790 116 116 LEU HA H 4.244 0.020 1 791 116 116 LEU HB2 H 1.518 0.020 1 792 116 116 LEU HB3 H 1.518 0.020 1 793 116 116 LEU HG H 1.433 0.020 1 794 116 116 LEU HD1 H 0.657 0.020 1 795 116 116 LEU HD2 H 0.657 0.020 1 796 116 116 LEU CA C 51.089 0.3 1 797 116 116 LEU N N 124.868 0.3 1 798 117 117 THR H H 9.129 0.020 1 799 117 117 THR HA H 4.611 0.020 1 800 117 117 THR HB H 4.304 0.020 1 801 117 117 THR HG2 H 0.668 0.020 1 802 117 117 THR CA C 57.834 0.3 1 803 117 117 THR N N 114.337 0.3 1 804 118 118 ASP H H 8.767 0.020 1 805 118 118 ASP HA H 4.031 0.020 1 806 118 118 ASP HB2 H 2.412 0.020 1 807 118 118 ASP HB3 H 2.412 0.020 2 808 118 118 ASP CA C 55.243 0.3 1 809 118 118 ASP N N 120.881 0.3 1 810 119 119 GLU H H 8.521 0.020 1 811 119 119 GLU HA H 3.927 0.020 1 812 119 119 GLU HB2 H 1.837 0.020 1 813 119 119 GLU HB3 H 1.837 0.020 1 814 119 119 GLU HG2 H 2.203 0.020 1 815 119 119 GLU HG3 H 2.203 0.020 1 816 119 119 GLU CA C 57.149 0.3 1 817 119 119 GLU N N 119.298 0.3 1 818 120 120 GLU H H 7.577 0.020 1 819 120 120 GLU HA H 3.847 0.020 1 820 120 120 GLU HB2 H 2.218 0.020 1 821 120 120 GLU HB3 H 2.218 0.020 1 822 120 120 GLU CA C 56.319 0.3 1 823 120 120 GLU N N 120.118 0.3 1 824 121 121 VAL H H 7.852 0.020 1 825 121 121 VAL HA H 3.423 0.020 1 826 121 121 VAL HB H 1.868 0.020 1 827 121 121 VAL HG1 H 0.729 0.020 1 828 121 121 VAL HG2 H 0.204 0.020 1 829 121 121 VAL CA C 64.090 0.3 1 830 121 121 VAL N N 122.079 0.3 1 831 122 122 ASP H H 7.882 0.020 1 832 122 122 ASP HA H 4.170 0.020 1 833 122 122 ASP HB2 H 2.585 0.020 1 834 122 122 ASP HB3 H 2.585 0.020 1 835 122 122 ASP CA C 54.901 0.3 1 836 122 122 ASP N N 120.225 0.3 1 837 123 123 GLU H H 7.814 0.020 1 838 123 123 GLU HA H 3.796 0.020 1 839 123 123 GLU HB2 H 1.978 0.020 1 840 123 123 GLU HB3 H 1.978 0.020 1 841 123 123 GLU HG2 H 2.175 0.020 1 842 123 123 GLU HG3 H 2.175 0.020 1 843 123 123 GLU CA C 56.612 0.3 1 844 123 123 GLU N N 119.175 0.3 1 845 124 124 MET H H 7.431 0.020 1 846 124 124 MET HA H 3.818 0.020 1 847 124 124 MET HB2 H 1.605 0.020 1 848 124 124 MET HB3 H 1.605 0.020 1 849 124 124 MET HG2 H 2.109 0.020 1 850 124 124 MET HG3 H 2.109 0.020 1 851 124 124 MET CA C 56.905 0.3 1 852 124 124 MET N N 119.067 0.3 1 853 125 125 ILE H H 7.710 0.020 1 854 125 125 ILE HA H 3.380 0.020 1 855 125 125 ILE HB H 2.087 0.020 1 856 125 125 ILE HG12 H 0.554 0.020 1 857 125 125 ILE HG13 H 0.554 0.020 1 858 125 125 ILE HG2 H 1.233 0.020 1 859 125 125 ILE HD1 H 0.426 0.020 1 860 125 125 ILE CA C 60.131 0.3 1 861 125 125 ILE N N 118.171 0.3 1 862 126 126 ARG H H 7.951 0.020 1 863 126 126 ARG HA H 3.883 0.020 1 864 126 126 ARG HB2 H 1.803 0.020 1 865 126 126 ARG HB3 H 1.803 0.020 1 866 126 126 ARG CA C 56.673 0.3 1 867 126 126 ARG N N 117.910 0.3 1 868 127 127 GLU H H 7.600 0.020 1 869 127 127 GLU HA H 3.861 0.020 1 870 127 127 GLU HB2 H 1.737 0.020 1 871 127 127 GLU HB3 H 1.737 0.020 1 872 127 127 GLU HG2 H 2.175 0.020 1 873 127 127 GLU HG3 H 2.175 0.020 1 874 127 127 GLU CA C 56.319 0.3 1 875 127 127 GLU N N 117.507 0.3 1 876 128 128 ALA H H 7.171 0.020 1 877 128 128 ALA HA H 4.500 0.020 1 878 128 128 ALA HB H 1.337 0.020 1 879 128 128 ALA CA C 48.205 0.3 1 880 128 128 ALA N N 116.595 0.3 1 881 129 129 ASP H H 7.830 0.020 1 882 129 129 ASP HA H 4.351 0.020 1 883 129 129 ASP HB2 H 2.219 0.020 1 884 129 129 ASP HB3 H 2.219 0.020 1 885 129 129 ASP CA C 51.822 0.3 1 886 129 129 ASP N N 118.048 0.3 1 887 130 130 ILE H H 8.140 0.020 1 888 130 130 ILE HA H 3.797 0.020 1 889 130 130 ILE HB H 1.837 0.020 1 890 130 130 ILE HG12 H 0.751 0.020 1 891 130 130 ILE HG13 H 0.751 0.020 1 892 130 130 ILE HG2 H 1.518 0.020 1 893 130 130 ILE HD1 H 0.708 0.020 1 894 130 130 ILE CA C 60.522 0.3 1 895 130 130 ILE N N 128.000 0.3 1 896 131 131 ASP H H 8.188 0.020 1 897 131 131 ASP HA H 4.343 0.020 1 898 131 131 ASP HB2 H 2.197 0.020 1 899 131 131 ASP HB3 H 2.197 0.020 1 900 131 131 ASP CA C 51.187 0.3 1 901 131 131 ASP N N 116.678 0.3 1 902 132 132 GLY H H 7.551 0.020 1 903 132 132 GLY HA2 H 3.690 0.020 1 904 132 132 GLY HA3 H 3.690 0.020 1 905 132 132 GLY CA C 44.638 0.3 1 906 132 132 GLY N N 108.469 0.3 1 907 133 133 ASP H H 8.211 0.020 1 908 133 133 ASP HA H 4.329 0.020 1 909 133 133 ASP HB2 H 2.838 0.020 1 910 133 133 ASP HB3 H 2.838 0.020 1 911 133 133 ASP CA C 50.942 0.3 1 912 133 133 ASP N N 120.377 0.3 1 913 134 134 GLY H H 9.933 0.020 1 914 134 134 GLY HA2 H 3.253 0.020 1 915 134 134 GLY HA3 H 3.253 0.020 2 916 134 134 GLY CA C 43.122 0.3 1 917 134 134 GLY N N 112.182 0.3 1 918 135 135 GLN H H 7.840 0.020 1 919 135 135 GLN HA H 4.844 0.020 1 920 135 135 GLN HB2 H 1.617 0.020 1 921 135 135 GLN HB3 H 1.617 0.020 1 922 135 135 GLN HG2 H 1.808 0.020 1 923 135 135 GLN HG3 H 1.808 0.020 1 924 135 135 GLN CA C 50.454 0.3 1 925 135 135 GLN N N 115.288 0.3 1 926 136 136 VAL H H 8.977 0.020 1 927 136 136 VAL HA H 5.139 0.020 1 928 136 136 VAL HB H 2.168 0.020 1 929 136 136 VAL HG1 H 0.948 0.020 1 930 136 136 VAL HG2 H 0.358 0.020 1 931 136 136 VAL CA C 58.713 0.3 1 932 136 136 VAL N N 125.238 0.3 1 933 137 137 ASN H H 9.391 0.020 1 934 137 137 ASN HA H 5.156 0.020 1 935 137 137 ASN HB2 H 2.829 0.020 1 936 137 137 ASN HB3 H 2.829 0.020 1 937 137 137 ASN CA C 48.352 0.3 1 938 137 137 ASN N N 129.014 0.3 1 939 138 138 TYR H H 8.153 0.020 1 940 138 138 TYR HA H 4.277 0.020 1 941 138 138 TYR HB2 H 3.160 0.020 1 942 138 138 TYR HB3 H 3.160 0.020 1 943 138 138 TYR HD1 H 6.865 0.020 1 944 138 138 TYR HD2 H 6.865 0.020 1 945 138 138 TYR CA C 59.669 0.3 1 946 138 138 TYR N N 118.562 0.3 1 947 139 139 GLU H H 7.985 0.020 1 948 139 139 GLU HA H 3.511 0.020 1 949 139 139 GLU HB2 H 1.890 0.020 1 950 139 139 GLU HB3 H 1.890 0.020 1 951 139 139 GLU HG2 H 2.219 0.020 1 952 139 139 GLU HG3 H 2.219 0.020 1 953 139 139 GLU CA C 57.540 0.3 1 954 139 139 GLU N N 118.555 0.3 1 955 140 140 GLU H H 8.665 0.020 1 956 140 140 GLU HA H 3.774 0.020 1 957 140 140 GLU HB2 H 1.846 0.020 1 958 140 140 GLU HB3 H 1.846 0.020 1 959 140 140 GLU HG2 H 2.197 0.020 1 960 140 140 GLU HG3 H 2.197 0.020 1 961 140 140 GLU CA C 56.025 0.3 1 962 140 140 GLU N N 119.774 0.3 1 963 141 141 PHE H H 8.520 0.020 1 964 141 141 PHE HA H 3.627 0.020 1 965 141 141 PHE HB2 H 3.147 0.020 1 966 141 141 PHE HB3 H 2.945 0.020 2 967 141 141 PHE HD1 H 6.630 0.020 1 968 141 141 PHE HD2 H 6.630 0.020 1 969 141 141 PHE HE1 H 6.990 0.020 1 970 141 141 PHE HE2 H 6.990 0.020 1 971 141 141 PHE HZ H 6.390 0.020 1 972 141 141 PHE CA C 59.447 0.3 1 973 141 141 PHE N N 124.147 0.3 1 974 142 142 VAL H H 8.642 0.020 1 975 142 142 VAL HA H 2.947 0.020 1 976 142 142 VAL HG1 H 0.576 0.020 1 977 142 142 VAL HG2 H 0.291 0.020 1 978 142 142 VAL CA C 64.432 0.3 1 979 142 142 VAL N N 119.144 0.3 1 980 143 143 GLN H H 7.795 0.020 1 981 143 143 GLN HA H 3.726 0.020 1 982 143 143 GLN HB2 H 1.912 0.020 1 983 143 143 GLN HB3 H 1.912 0.020 1 984 143 143 GLN HG2 H 2.219 0.020 1 985 143 143 GLN HG3 H 2.219 0.020 1 986 143 143 GLN CA C 56.514 0.3 1 987 143 143 GLN N N 120.173 0.3 1 988 144 144 MET H H 7.401 0.020 1 989 144 144 MET HA H 3.832 0.020 1 990 144 144 MET HB2 H 1.781 0.020 1 991 144 144 MET HB3 H 1.781 0.020 1 992 144 144 MET HG2 H 1.781 0.020 1 993 144 144 MET HG3 H 1.781 0.020 1 994 144 144 MET CA C 55.683 0.3 1 995 144 144 MET N N 118.573 0.3 1 996 145 145 MET H H 7.531 0.020 1 997 145 145 MET HA H 3.905 0.020 1 998 145 145 MET HB2 H 1.672 0.020 1 999 145 145 MET HB3 H 1.672 0.020 1 1000 145 145 MET HG2 H 1.672 0.020 1 1001 145 145 MET HG3 H 1.672 0.020 1 1002 145 145 MET CA C 53.630 0.3 1 1003 145 145 MET N N 114.177 0.3 1 1004 146 146 THR H H 7.587 0.020 1 1005 146 146 THR HA H 4.587 0.020 1 1006 146 146 THR HB H 4.103 0.020 1 1007 146 146 THR HG2 H 0.964 0.020 1 1008 146 146 THR CA C 59.251 0.3 1 1009 146 146 THR N N 109.158 0.3 1 1010 147 147 ALA H H 7.381 0.020 1 1011 147 147 ALA HA H 4.095 0.020 1 1012 147 147 ALA HB H 1.241 0.020 1 1013 147 147 ALA CA C 50.307 0.3 1 1014 147 147 ALA N N 126.868 0.3 1 1015 148 148 LYS H H 7.854 0.020 1 1016 148 148 LYS HA H 4.080 0.020 1 1017 148 148 LYS HB2 H 1.560 0.020 1 1018 148 148 LYS HB3 H 1.560 0.020 1 1019 148 148 LYS HG2 H 1.220 0.020 1 1020 148 148 LYS HG3 H 1.220 0.020 1 1021 148 148 LYS CA C 54.803 0.3 1 1022 148 148 LYS N N 126.436 0.3 1 stop_ save_