data_18027 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of CaM bound to iNOS CaM binding domain peptide ; _BMRB_accession_number 18027 _BMRB_flat_file_name bmr18027.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 Dieckmann Thorsten . . 5 Guillemette J. Guy . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 826 "13C chemical shifts" 431 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18028 'CaM bound to eNOS 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 iNOS $iNOS 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 'all free' _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 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 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_iNOS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common iNOS _Molecular_mass 1967.644 _Mol_thiol_state . _Details . _Residue_count 17 _Mol_residue_sequence LKVLVKAVLFACMLMRK loop_ _Residue_seq_code _Residue_label 1 LEU 2 LYS 3 VAL 4 LEU 5 VAL 6 LYS 7 ALA 8 VAL 9 LEU 10 PHE 11 ALA 12 CYS 13 MET 14 LEU 15 MET 16 ARG 17 LYS 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 PDB 2LL6 "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" 100.00 17 100.00 100.00 1.52e+00 PDB 3HR4 "Human Inos Reductase And Calmodulin Complex" 100.00 219 100.00 100.00 1.60e+00 DBJ BAA05531 "inducible type of nitric oxide synthase [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 DBJ BAA37123 "inducible nitric oxide synthase [Homo sapiens]" 100.00 1114 100.00 100.00 2.80e-01 DBJ BAG65119 "unnamed protein product [Homo sapiens]" 100.00 732 100.00 100.00 2.60e-01 EMBL CAA51512 "nitric oxide synthase [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 GB AAA36375 "nitric oxide synthase [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 GB AAA56666 "inducible nitric oxide synthase [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 GB AAA59171 "inducible nitric oxide synthase [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 GB AAB49041 "nitric oxide synthase [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 GB AAB60366 "nitric oxide synthase [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 PRF 2001203A "nitric oxide synthase" 100.00 1153 100.00 100.00 2.81e-01 PRF 2019232A "NO synthase" 100.00 1153 100.00 100.00 2.81e-01 REF NP_000616 "nitric oxide synthase, inducible [Homo sapiens]" 100.00 1153 100.00 100.00 2.81e-01 REF XP_001106048 "PREDICTED: nitric oxide synthase, inducible isoform 1 [Macaca mulatta]" 100.00 1132 100.00 100.00 2.81e-01 REF XP_001106185 "PREDICTED: nitric oxide synthase, inducible isoform 3 [Macaca mulatta]" 100.00 1114 100.00 100.00 2.80e-01 REF XP_001106245 "PREDICTED: nitric oxide synthase, inducible isoform 4 [Macaca mulatta]" 100.00 1153 100.00 100.00 2.81e-01 REF XP_002827195 "PREDICTED: LOW QUALITY PROTEIN: nitric oxide synthase, inducible [Pongo abelii]" 100.00 1153 100.00 100.00 2.81e-01 SP P35228 "RecName: Full=Nitric oxide synthase, inducible; AltName: Full=Hepatocyte NOS; Short=HEP-NOS; AltName: Full=Inducible NO synthas" 100.00 1153 100.00 100.00 2.81e-01 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 $iNOS 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 $iNOS 'recombinant technology' . Escherichia coli . 'phiNOSCBD intein' 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]' $iNOS 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_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CaM 1.0 mM 'natural abundance' $iNOS 1.0 mM '[U-99% 13C; U-99% 15N]' '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_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 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 8.521 0.020 1 2 2 2 ASP HA H 4.453 0.020 1 3 2 2 ASP HB2 H 2.507 0.020 1 4 2 2 ASP HB3 H 2.507 0.020 2 5 2 2 ASP CA C 51.929 0.3 1 6 2 2 ASP CB C 38.505 0.3 1 7 2 2 ASP N N 120.442 0.3 1 8 3 3 GLN H H 8.199 0.020 1 9 3 3 GLN HA H 4.218 0.020 1 10 3 3 GLN CA C 52.686 0.3 1 11 3 3 GLN N N 119.769 0.3 1 12 4 4 LEU H H 7.510 0.020 1 13 4 4 LEU HA H 4.483 0.020 1 14 4 4 LEU HB2 H 1.669 0.020 2 15 4 4 LEU HB3 H 1.353 0.020 2 16 4 4 LEU HG H 1.534 0.020 1 17 4 4 LEU HD1 H 0.733 0.020 1 18 4 4 LEU HD2 H 0.680 0.020 1 19 4 4 LEU CA C 51.584 0.3 1 20 4 4 LEU CB C 40.561 0.3 1 21 4 4 LEU CG C 23.770 0.3 1 22 4 4 LEU CD1 C 20.686 0.3 1 23 4 4 LEU N N 120.939 0.3 1 24 5 5 THR H H 8.576 0.020 1 25 5 5 THR HA H 4.253 0.020 1 26 5 5 THR CA C 57.873 0.3 1 27 5 5 THR CB C 68.203 0.3 1 28 5 5 THR CG2 C 18.858 0.3 1 29 5 5 THR N N 112.777 0.3 1 30 6 6 GLU H H 8.874 0.020 1 31 6 6 GLU HA H 3.794 0.020 1 32 6 6 GLU HB2 H 1.876 0.020 1 33 6 6 GLU HB3 H 1.876 0.020 1 34 6 6 GLU HG2 H 2.213 0.020 1 35 6 6 GLU HG3 H 2.213 0.020 1 36 6 6 GLU CA C 57.645 0.3 1 37 6 6 GLU CB C 26.286 0.3 1 38 6 6 GLU CG C 33.810 0.3 1 39 6 6 GLU N N 120.254 0.3 1 40 7 7 GLU H H 8.536 0.020 1 41 7 7 GLU HA H 3.896 0.020 1 42 7 7 GLU HB2 H 1.878 0.020 1 43 7 7 GLU HB3 H 1.878 0.020 1 44 7 7 GLU HG2 H 2.166 0.020 1 45 7 7 GLU HG3 H 2.166 0.020 1 46 7 7 GLU CA C 57.176 0.3 1 47 7 7 GLU CB C 26.054 0.3 1 48 7 7 GLU CG C 33.593 0.3 1 49 7 7 GLU N N 119.637 0.3 1 50 8 8 GLN H H 7.499 0.020 1 51 8 8 GLN HA H 3.838 0.020 1 52 8 8 GLN HB2 H 1.759 0.020 2 53 8 8 GLN HB3 H 1.887 0.020 2 54 8 8 GLN HG2 H 2.175 0.020 1 55 8 8 GLN HG3 H 2.175 0.020 1 56 8 8 GLN CA C 56.411 0.3 1 57 8 8 GLN CB C 26.625 0.3 1 58 8 8 GLN CG C 33.022 0.3 1 59 8 8 GLN N N 120.086 0.3 1 60 9 9 ILE H H 8.405 0.020 1 61 9 9 ILE HA H 3.667 0.020 1 62 9 9 ILE HB H 1.804 0.020 1 63 9 9 ILE HG12 H 0.883 0.020 1 64 9 9 ILE HG13 H 0.883 0.020 1 65 9 9 ILE HG2 H 0.936 0.020 1 66 9 9 ILE HD1 H 0.690 0.020 1 67 9 9 ILE CA C 64.046 0.3 1 68 9 9 ILE CG1 C 27.539 0.3 1 69 9 9 ILE CG2 C 14.518 0.3 1 70 9 9 ILE CD1 C 10.291 0.3 1 71 9 9 ILE N N 120.295 0.3 1 72 10 10 ALA H H 7.949 0.020 1 73 10 10 ALA HA H 3.911 0.020 1 74 10 10 ALA HB H 1.364 0.020 1 75 10 10 ALA CA C 52.657 0.3 1 76 10 10 ALA CB C 14.975 0.3 1 77 10 10 ALA N N 121.503 0.3 1 78 11 11 GLU H H 7.700 0.020 1 79 11 11 GLU HA H 3.838 0.020 1 80 11 11 GLU HB2 H 1.761 0.020 2 81 11 11 GLU HB3 H 1.900 0.020 2 82 11 11 GLU HG2 H 2.177 0.020 1 83 11 11 GLU HG3 H 2.177 0.020 1 84 11 11 GLU CA C 56.673 0.3 1 85 11 11 GLU CB C 26.968 0.3 1 86 11 11 GLU CG C 33.250 0.3 1 87 11 11 GLU N N 118.352 0.3 1 88 12 12 PHE H H 8.211 0.020 1 89 12 12 PHE HA H 4.477 0.020 1 90 12 12 PHE HB2 H 3.252 0.020 2 91 12 12 PHE HB3 H 3.401 0.020 2 92 12 12 PHE CA C 59.655 0.3 1 93 12 12 PHE CB C 35.535 0.3 1 94 12 12 PHE N N 117.277 0.3 1 95 13 13 LYS H H 8.925 0.020 1 96 13 13 LYS HA H 3.925 0.020 1 97 13 13 LYS HB2 H 1.889 0.020 1 98 13 13 LYS HB3 H 1.889 0.020 1 99 13 13 LYS HG2 H 1.527 0.020 1 100 13 13 LYS HG3 H 1.527 0.020 1 101 13 13 LYS HD2 H 1.761 0.020 1 102 13 13 LYS HD3 H 1.761 0.020 1 103 13 13 LYS HE2 H 2.517 0.020 1 104 13 13 LYS HE3 H 2.517 0.020 1 105 13 13 LYS CA C 57.154 0.3 1 106 13 13 LYS CB C 26.169 0.3 1 107 13 13 LYS CG C 24.455 0.3 1 108 13 13 LYS CD C 29.824 0.3 1 109 13 13 LYS CE C 39.419 0.3 1 110 13 13 LYS N N 122.928 0.3 1 111 14 14 GLU H H 7.824 0.020 1 112 14 14 GLU HA H 3.858 0.020 1 113 14 14 GLU HB2 H 1.759 0.020 2 114 14 14 GLU HB3 H 1.919 0.020 2 115 14 14 GLU HG2 H 2.175 0.020 1 116 14 14 GLU HG3 H 2.175 0.020 1 117 14 14 GLU CA C 56.336 0.3 1 118 14 14 GLU CB C 26.283 0.3 1 119 14 14 GLU CG C 33.479 0.3 1 120 14 14 GLU N N 119.706 0.3 1 121 15 15 ALA H H 8.124 0.020 1 122 15 15 ALA HA H 3.867 0.020 1 123 15 15 ALA HB H 1.652 0.020 1 124 15 15 ALA CA C 52.835 0.3 1 125 15 15 ALA CB C 15.203 0.3 1 126 15 15 ALA N N 123.880 0.3 1 127 16 16 PHE H H 8.446 0.020 1 128 16 16 PHE HA H 3.132 0.020 1 129 16 16 PHE HB2 H 2.177 0.020 2 130 16 16 PHE HB3 H 2.517 0.020 2 131 16 16 PHE HZ H 6.791 0.020 1 132 16 16 PHE CA C 58.983 0.3 1 133 16 16 PHE CB C 36.449 0.3 1 134 16 16 PHE N N 118.972 0.3 1 135 17 17 SER H H 7.874 0.020 1 136 17 17 SER HA H 3.902 0.020 1 137 17 17 SER HB2 H 3.902 0.020 1 138 17 17 SER HB3 H 3.902 0.020 1 139 17 17 SER CA C 58.999 0.3 1 140 17 17 SER CB C 60.436 0.3 1 141 17 17 SER N N 114.737 0.3 1 142 18 18 LEU H H 7.183 0.020 1 143 18 18 LEU HA H 3.785 0.020 1 144 18 18 LEU HB2 H 1.580 0.020 1 145 18 18 LEU HB3 H 1.580 0.020 1 146 18 18 LEU HG H 1.516 0.020 1 147 18 18 LEU HD1 H 0.472 0.020 1 148 18 18 LEU HD2 H 0.611 0.020 1 149 18 18 LEU CA C 54.729 0.3 1 150 18 18 LEU CB C 38.162 0.3 1 151 18 18 LEU CG C 23.998 0.3 1 152 18 18 LEU CD1 C 20.686 0.3 1 153 18 18 LEU CD2 C 22.399 0.3 1 154 18 18 LEU N N 120.225 0.3 1 155 19 19 PHE H H 6.977 0.020 1 156 19 19 PHE CA C 56.424 0.3 1 157 19 19 PHE N N 112.357 0.3 1 158 20 20 ASP H H 7.446 0.020 1 159 20 20 ASP HA H 4.432 0.020 1 160 20 20 ASP HB2 H 2.485 0.020 1 161 20 20 ASP HB3 H 2.485 0.020 1 162 20 20 ASP CA C 49.512 0.3 1 163 20 20 ASP CB C 36.677 0.3 1 164 20 20 ASP N N 117.274 0.3 1 165 21 21 LYS H H 7.520 0.020 1 166 21 21 LYS HA H 3.838 0.020 1 167 21 21 LYS HB2 H 1.662 0.020 1 168 21 21 LYS HB3 H 1.662 0.020 1 169 21 21 LYS HG2 H 1.331 0.020 2 170 21 21 LYS HG3 H 1.246 0.020 2 171 21 21 LYS HD2 H 1.491 0.020 1 172 21 21 LYS HD3 H 1.491 0.020 1 173 21 21 LYS HE2 H 2.816 0.020 1 174 21 21 LYS HE3 H 2.816 0.020 1 175 21 21 LYS CA C 55.679 0.3 1 176 21 21 LYS CB C 29.595 0.3 1 177 21 21 LYS CG C 21.714 0.3 1 178 21 21 LYS CD C 25.712 0.3 1 179 21 21 LYS CE C 39.190 0.3 1 180 21 21 LYS N N 124.296 0.3 1 181 22 22 ASP H H 7.819 0.020 1 182 22 22 ASP HA H 4.434 0.020 1 183 22 22 ASP HB2 H 2.485 0.020 2 184 22 22 ASP HB3 H 2.890 0.020 2 185 22 22 ASP CA C 50.061 0.3 1 186 22 22 ASP CB C 36.563 0.3 1 187 22 22 ASP N N 113.761 0.3 1 188 23 23 GLY H H 7.497 0.020 1 189 23 23 GLY HA2 H 3.667 0.020 1 190 23 23 GLY HA3 H 3.667 0.020 1 191 23 23 GLY CA C 44.305 0.3 1 192 23 23 GLY N N 108.838 0.3 1 193 24 24 ASP H H 8.312 0.020 1 194 24 24 ASP HA H 4.350 0.020 1 195 24 24 ASP HB2 H 2.891 0.020 1 196 24 24 ASP HB3 H 2.891 0.020 2 197 24 24 ASP CA C 50.853 0.3 1 198 24 24 ASP CB C 37.363 0.3 1 199 24 24 ASP N N 120.790 0.3 1 200 25 25 GLY H H 10.352 0.020 1 201 25 25 GLY HA2 H 4.098 0.020 2 202 25 25 GLY HA3 H 3.549 0.020 2 203 25 25 GLY CA C 42.420 0.3 1 204 25 25 GLY N N 112.499 0.3 1 205 26 26 THR H H 8.018 0.020 1 206 26 26 THR HA H 5.316 0.020 1 207 26 26 THR HB H 3.668 0.020 1 208 26 26 THR HG2 H 0.867 0.020 1 209 26 26 THR CA C 56.878 0.3 1 210 26 26 THR CB C 70.031 0.3 1 211 26 26 THR CG2 C 18.972 0.3 1 212 26 26 THR N N 111.781 0.3 1 213 27 27 ILE H H 9.769 0.020 1 214 27 27 ILE HA H 4.658 0.020 1 215 27 27 ILE CA C 58.477 0.3 1 216 27 27 ILE CB C 37.572 0.3 1 217 27 27 ILE CG1 C 24.348 0.3 1 218 27 27 ILE CG2 C 15.456 0.3 1 219 27 27 ILE CD1 C 11.352 0.3 1 220 27 27 ILE N N 126.162 0.3 1 221 28 28 THR H H 8.302 0.020 1 222 28 28 THR HA H 4.669 0.020 1 223 28 28 THR HB H 3.838 0.020 1 224 28 28 THR HG2 H 0.952 0.020 1 225 28 28 THR CA C 56.878 0.3 1 226 28 28 THR CB C 69.688 0.3 1 227 28 28 THR CG2 C 19.543 0.3 1 228 28 28 THR N N 116.311 0.3 1 229 29 29 THR H H 9.078 0.020 1 230 29 29 THR HA H 3.633 0.020 1 231 29 29 THR HB H 4.054 0.020 1 232 29 29 THR HG2 H 1.128 0.020 1 233 29 29 THR CA C 63.820 0.3 1 234 29 29 THR CB C 65.160 0.3 1 235 29 29 THR CG2 C 20.586 0.3 1 236 29 29 THR N N 112.465 0.3 1 237 30 30 LYS H H 7.467 0.020 1 238 30 30 LYS HA H 3.955 0.020 1 239 30 30 LYS HB2 H 1.684 0.020 1 240 30 30 LYS HB3 H 1.684 0.020 1 241 30 30 LYS HG2 H 1.256 0.020 2 242 30 30 LYS HG3 H 1.331 0.020 2 243 30 30 LYS HD3 H 1.502 0.020 1 244 30 30 LYS HE2 H 2.827 0.020 1 245 30 30 LYS CA C 56.569 0.3 1 246 30 30 LYS CB C 29.595 0.3 1 247 30 30 LYS CG C 22.171 0.3 1 248 30 30 LYS CD C 26.397 0.3 1 249 30 30 LYS CE C 39.304 0.3 1 250 30 30 LYS N N 120.792 0.3 1 251 31 31 GLU H H 7.574 0.020 1 252 31 31 GLU HA H 3.906 0.020 1 253 31 31 GLU HB2 H 1.897 0.020 1 254 31 31 GLU HB3 H 1.897 0.020 2 255 31 31 GLU HG2 H 2.164 0.020 1 256 31 31 GLU HG3 H 2.164 0.020 2 257 31 31 GLU CA C 56.677 0.3 1 258 31 31 GLU CB C 27.082 0.3 1 259 31 31 GLU CG C 33.593 0.3 1 260 31 31 GLU N N 121.359 0.3 1 261 32 32 LEU H H 8.712 0.020 1 262 32 32 LEU HA H 4.057 0.020 1 263 32 32 LEU HB2 H 1.772 0.020 1 264 32 32 LEU HB3 H 1.772 0.020 1 265 32 32 LEU HG H 1.530 0.020 1 266 32 32 LEU HD1 H 1.291 0.020 1 267 32 32 LEU HD2 H 1.291 0.020 1 268 32 32 LEU CA C 55.572 0.3 1 269 32 32 LEU CB C 39.852 0.3 1 270 32 32 LEU CG C 23.892 0.3 1 271 32 32 LEU CD1 C 20.814 0.3 1 272 32 32 LEU N N 120.087 0.3 1 273 33 33 GLY H H 8.696 0.020 1 274 33 33 GLY HA2 H 3.855 0.020 2 275 33 33 GLY HA3 H 3.395 0.020 2 276 33 33 GLY CA C 45.637 0.3 1 277 33 33 GLY N N 105.634 0.3 1 278 34 34 THR H H 7.785 0.020 1 279 34 34 THR HA H 3.810 0.020 1 280 34 34 THR HB H 4.162 0.020 1 281 34 34 THR HG2 H 1.128 0.020 1 282 34 34 THR CA C 64.259 0.3 1 283 34 34 THR CB C 66.033 0.3 1 284 34 34 THR CG2 C 18.515 0.3 1 285 34 34 THR N N 117.265 0.3 1 286 35 35 VAL H H 7.268 0.020 1 287 35 35 VAL HA H 3.401 0.020 1 288 35 35 VAL HB H 1.932 0.020 1 289 35 35 VAL HG1 H 0.419 0.020 1 290 35 35 VAL HG2 H 0.739 0.020 1 291 35 35 VAL CA C 64.308 0.3 1 292 35 35 VAL CB C 28.796 0.3 1 293 35 35 VAL CG1 C 17.487 0.3 1 294 35 35 VAL CG2 C 20.115 0.3 1 295 35 35 VAL N N 121.498 0.3 1 296 36 36 MET H H 8.487 0.020 1 297 36 36 MET HA H 3.842 0.020 1 298 36 36 MET HB2 H 1.761 0.020 1 299 36 36 MET HB3 H 1.761 0.020 1 300 36 36 MET HG2 H 2.177 0.020 1 301 36 36 MET HG3 H 2.177 0.020 1 302 36 36 MET CA C 56.606 0.3 1 303 36 36 MET CB C 28.453 0.3 1 304 36 36 MET CG C 31.188 0.3 1 305 36 36 MET N N 117.302 0.3 1 306 37 37 ARG H H 8.330 0.020 1 307 37 37 ARG HA H 4.657 0.020 1 308 37 37 ARG HB2 H 1.759 0.020 1 309 37 37 ARG HB3 H 1.759 0.020 1 310 37 37 ARG HG2 H 1.887 0.020 1 311 37 37 ARG HG3 H 1.887 0.020 1 312 37 37 ARG HD2 H 3.040 0.020 1 313 37 37 ARG HD3 H 3.040 0.020 1 314 37 37 ARG CA C 56.480 0.3 1 315 37 37 ARG CB C 26.740 0.3 1 316 37 37 ARG CG C 25.597 0.3 1 317 37 37 ARG CD C 40.904 0.3 1 318 37 37 ARG N N 118.262 0.3 1 319 38 38 SER H H 7.815 0.020 1 320 38 38 SER N N 117.873 0.3 1 321 39 39 LEU H H 7.326 0.020 1 322 39 39 LEU HA H 4.072 0.020 1 323 39 39 LEU HB2 H 1.644 0.020 1 324 39 39 LEU HB3 H 1.644 0.020 1 325 39 39 LEU HG H 1.516 0.020 1 326 39 39 LEU HD1 H 0.398 0.020 1 327 39 39 LEU CA C 51.438 0.3 1 328 39 39 LEU CB C 38.162 0.3 1 329 39 39 LEU CG C 23.313 0.3 1 330 39 39 LEU CD1 C 18.744 0.3 1 331 39 39 LEU CD2 C 17.031 0.3 1 332 39 39 LEU N N 117.970 0.3 1 333 40 40 GLY H H 7.636 0.020 1 334 40 40 GLY HA2 H 3.582 0.020 1 335 40 40 GLY HA3 H 4.071 0.020 2 336 40 40 GLY CA C 42.664 0.3 1 337 40 40 GLY N N 106.755 0.3 1 338 41 41 GLN H H 7.827 0.020 1 339 41 41 GLN HA H 4.285 0.020 1 340 41 41 GLN HB2 H 1.474 0.020 1 341 41 41 GLN HB3 H 1.474 0.020 1 342 41 41 GLN HG2 H 1.782 0.020 1 343 41 41 GLN HG3 H 1.782 0.020 1 344 41 41 GLN CA C 50.853 0.3 1 345 41 41 GLN CB C 27.311 0.3 1 346 41 41 GLN CG C 30.395 0.3 1 347 41 41 GLN N N 118.316 0.3 1 348 42 42 ASN H H 8.557 0.020 1 349 42 42 ASN HA H 5.013 0.020 1 350 42 42 ASN HB2 H 2.606 0.020 1 351 42 42 ASN HB3 H 2.329 0.020 2 352 42 42 ASN CA C 48.562 0.3 1 353 42 42 ASN CB C 36.318 0.3 1 354 42 42 ASN N N 115.866 0.3 1 355 44 44 THR H H 8.694 0.020 1 356 44 44 THR HA H 4.296 0.020 1 357 44 44 THR HB H 4.669 0.020 1 358 44 44 THR HG2 H 1.154 0.020 1 359 44 44 THR CA C 57.922 0.3 1 360 44 44 THR CB C 68.317 0.3 1 361 44 44 THR CG2 C 18.858 0.3 1 362 44 44 THR N N 113.035 0.3 1 363 45 45 GLU H H 8.687 0.020 1 364 45 45 GLU HA H 3.896 0.020 1 365 45 45 GLU HB2 H 1.847 0.020 1 366 45 45 GLU HB3 H 1.847 0.020 1 367 45 45 GLU HG2 H 2.213 0.020 1 368 45 45 GLU HG3 H 2.213 0.020 1 369 45 45 GLU CA C 57.356 0.3 1 370 45 45 GLU CB C 25.716 0.3 1 371 45 45 GLU CG C 33.582 0.3 1 372 45 45 GLU N N 120.283 0.3 1 373 46 46 ALA H H 8.153 0.020 1 374 46 46 ALA HA H 3.870 0.020 1 375 46 46 ALA HB H 1.244 0.020 1 376 46 46 ALA CA C 52.316 0.3 1 377 46 46 ALA CB C 15.089 0.3 1 378 46 46 ALA N N 120.685 0.3 1 379 47 47 GLU H H 7.554 0.020 1 380 47 47 GLU HA H 3.859 0.020 1 381 47 47 GLU HB2 H 1.878 0.020 2 382 47 47 GLU HB3 H 1.772 0.020 2 383 47 47 GLU HG2 H 2.113 0.020 2 384 47 47 GLU HG3 H 2.208 0.020 2 385 47 47 GLU CA C 56.508 0.3 1 386 47 47 GLU CB C 26.740 0.3 1 387 47 47 GLU CG C 33.707 0.3 1 388 47 47 GLU N N 118.546 0.3 1 389 48 48 LEU H H 8.247 0.020 1 390 48 48 LEU HA H 3.940 0.020 1 391 48 48 LEU HB2 H 1.523 0.020 1 392 48 48 LEU HB3 H 1.523 0.020 1 393 48 48 LEU HG H 1.481 0.020 1 394 48 48 LEU HD1 H 0.551 0.020 1 395 48 48 LEU HD2 H 1.224 0.020 1 396 48 48 LEU CA C 55.368 0.3 1 397 48 48 LEU CB C 39.419 0.3 1 398 48 48 LEU CG C 26.397 0.3 1 399 48 48 LEU CD1 C 23.656 0.3 1 400 48 48 LEU CD2 C 21.942 0.3 1 401 48 48 LEU N N 120.085 0.3 1 402 49 49 GLN H H 7.891 0.020 1 403 49 49 GLN HA H 3.913 0.020 1 404 49 49 GLN HB2 H 1.889 0.020 1 405 49 49 GLN HB3 H 1.889 0.020 1 406 49 49 GLN HG2 H 2.166 0.020 1 407 49 49 GLN HG3 H 2.166 0.020 1 408 49 49 GLN CA C 56.703 0.3 1 409 49 49 GLN CB C 26.397 0.3 1 410 49 49 GLN CG C 33.479 0.3 1 411 49 49 GLN N N 118.119 0.3 1 412 50 50 ASP H H 7.803 0.020 1 413 50 50 ASP HA H 4.179 0.020 1 414 50 50 ASP HB2 H 2.604 0.020 2 415 50 50 ASP HB3 H 2.485 0.020 2 416 50 50 ASP CA C 54.876 0.3 1 417 50 50 ASP CB C 37.248 0.3 1 418 50 50 ASP N N 119.263 0.3 1 419 51 51 MET H H 7.831 0.020 1 420 51 51 MET HA H 3.966 0.020 1 421 51 51 MET HB2 H 1.665 0.020 1 422 51 51 MET HB3 H 1.665 0.020 1 423 51 51 MET HG2 H 1.804 0.020 1 424 51 51 MET HG3 H 1.804 0.020 1 425 51 51 MET CA C 57.074 0.3 1 426 51 51 MET CB C 29.975 0.3 1 427 51 51 MET CG C 30.211 0.3 1 428 51 51 MET N N 120.178 0.3 1 429 52 52 ILE H H 7.703 0.020 1 430 52 52 ILE HA H 3.348 0.020 1 431 52 52 ILE HB H 1.868 0.020 1 432 52 52 ILE HG12 H 0.568 0.020 2 433 52 52 ILE HG13 H 0.515 0.020 2 434 52 52 ILE HG2 H 1.101 0.020 1 435 52 52 ILE HD1 H 0.547 0.020 1 436 52 52 ILE CA C 61.675 0.3 1 437 52 52 ILE CB C 33.822 0.3 1 438 52 52 ILE CG1 C 26.054 0.3 1 439 52 52 ILE CG2 C 13.604 0.3 1 440 52 52 ILE CD1 C 8.921 0.3 1 441 52 52 ILE N N 116.856 0.3 1 442 53 53 ASN H H 8.187 0.020 1 443 53 53 ASN HA H 4.253 0.020 1 444 53 53 ASN HB2 H 2.826 0.020 2 445 53 53 ASN HB3 H 2.730 0.020 2 446 53 53 ASN CA C 53.041 0.3 1 447 53 53 ASN CB C 35.078 0.3 1 448 53 53 ASN N N 117.417 0.3 1 449 54 54 GLU H H 7.391 0.020 1 450 54 54 GLU HA H 3.859 0.020 1 451 54 54 GLU HB2 H 1.889 0.020 2 452 54 54 GLU HB3 H 1.751 0.020 2 453 54 54 GLU HG2 H 2.208 0.020 1 454 54 54 GLU HG3 H 2.208 0.020 1 455 54 54 GLU CA C 55.874 0.3 1 456 54 54 GLU CB C 26.397 0.3 1 457 54 54 GLU CG C 33.479 0.3 1 458 54 54 GLU N N 116.996 0.3 1 459 55 55 VAL H H 7.151 0.020 1 460 55 55 VAL HA H 3.987 0.020 1 461 55 55 VAL HB H 1.910 0.020 1 462 55 55 VAL HG1 H 0.909 0.020 1 463 55 55 VAL HG2 H 0.920 0.020 1 464 55 55 VAL CA C 58.945 0.3 1 465 55 55 VAL CB C 30.738 0.3 1 466 55 55 VAL CG1 C 20.343 0.3 1 467 55 55 VAL CG2 C 19.886 0.3 1 468 55 55 VAL N N 114.596 0.3 1 469 56 56 ASP H H 7.913 0.020 1 470 56 56 ASP HA H 4.317 0.020 1 471 56 56 ASP HB2 H 2.506 0.020 2 472 56 56 ASP HB3 H 2.326 0.020 2 473 56 56 ASP CA C 51.356 0.3 1 474 56 56 ASP CB C 37.591 0.3 1 475 56 56 ASP N N 119.670 0.3 1 476 57 57 ALA H H 8.126 0.020 1 477 57 57 ALA HA H 4.101 0.020 1 478 57 57 ALA HB H 1.364 0.020 1 479 57 57 ALA CA C 51.183 0.3 1 480 57 57 ALA N N 131.491 0.3 1 481 58 58 ASP H H 8.130 0.020 1 482 58 58 ASP HA H 4.434 0.020 1 483 58 58 ASP HB2 H 2.890 0.020 2 484 58 58 ASP HB3 H 2.485 0.020 2 485 58 58 ASP CA C 49.960 0.3 1 486 58 58 ASP CB C 36.563 0.3 1 487 58 58 ASP N N 114.255 0.3 1 488 59 59 GLY H H 7.504 0.020 1 489 59 59 GLY HA2 H 3.688 0.020 1 490 59 59 GLY HA3 H 3.688 0.020 1 491 59 59 GLY CA C 44.296 0.3 1 492 59 59 GLY N N 108.987 0.3 1 493 60 60 ASN H H 8.095 0.020 1 494 60 60 ASN HA H 4.429 0.020 1 495 60 60 ASN HB2 H 2.474 0.020 1 496 60 60 ASN HB3 H 2.474 0.020 1 497 60 60 ASN CA C 49.859 0.3 1 498 60 60 ASN CB C 34.507 0.3 1 499 60 60 ASN N N 118.770 0.3 1 500 61 61 GLY H H 10.280 0.020 1 501 61 61 GLY HA2 H 3.344 0.020 2 502 61 61 GLY HA3 H 4.087 0.020 2 503 61 61 GLY CA C 42.712 0.3 1 504 61 61 GLY N N 112.773 0.3 1 505 62 62 THR H H 7.475 0.020 1 506 62 62 THR HA H 4.672 0.020 1 507 62 62 THR HB H 3.838 0.020 1 508 62 62 THR HG2 H 0.952 0.020 1 509 62 62 THR CA C 56.878 0.3 1 510 62 62 THR CB C 69.688 0.3 1 511 62 62 THR CG2 C 19.543 0.3 1 512 62 62 THR N N 108.117 0.3 1 513 63 63 ILE H H 8.449 0.020 1 514 63 63 ILE HA H 4.796 0.020 1 515 63 63 ILE HB H 1.855 0.020 1 516 63 63 ILE HG2 H 1.096 0.020 1 517 63 63 ILE HD1 H 0.765 0.020 1 518 63 63 ILE CA C 57.812 0.3 1 519 63 63 ILE CB C 37.363 0.3 1 520 63 63 ILE CG1 C 24.341 0.3 1 521 63 63 ILE CG2 C 15.431 0.3 1 522 63 63 ILE CD1 C 11.319 0.3 1 523 63 63 ILE N N 122.642 0.3 1 524 64 64 ASP H H 9.011 0.020 1 525 64 64 ASP HA H 5.316 0.020 1 526 64 64 ASP HB2 H 2.666 0.020 1 527 64 64 ASP HB3 H 2.826 0.020 2 528 64 64 ASP CA C 49.280 0.3 1 529 64 64 ASP CB C 39.761 0.3 1 530 64 64 ASP N N 128.633 0.3 1 531 65 65 PHE H H 8.766 0.020 1 532 65 65 PHE HA H 3.767 0.020 1 533 65 65 PHE HB2 H 1.812 0.020 1 534 65 65 PHE HB3 H 1.812 0.020 1 535 65 65 PHE CA C 60.213 0.3 1 536 65 65 PHE N N 118.892 0.3 1 537 67 67 GLU H H 7.487 0.020 1 538 67 67 GLU HA H 3.837 0.020 1 539 67 67 GLU HB2 H 1.889 0.020 2 540 67 67 GLU HB3 H 1.761 0.020 2 541 67 67 GLU HG2 H 2.155 0.020 1 542 67 67 GLU HG3 H 2.155 0.020 1 543 67 67 GLU CA C 56.605 0.3 1 544 67 67 GLU CB C 26.397 0.3 1 545 67 67 GLU CG C 33.250 0.3 1 546 67 67 GLU N N 118.675 0.3 1 547 68 68 PHE H H 8.066 0.020 1 548 68 68 PHE HA H 3.668 0.020 1 549 68 68 PHE HB2 H 3.265 0.020 1 550 68 68 PHE HB3 H 3.265 0.020 1 551 68 68 PHE HD1 H 6.154 0.020 1 552 68 68 PHE HD2 H 6.154 0.020 1 553 68 68 PHE CA C 58.429 0.3 1 554 68 68 PHE CB C 37.591 0.3 1 555 68 68 PHE N N 123.182 0.3 1 556 69 69 LEU H H 8.672 0.020 1 557 69 69 LEU HA H 3.955 0.020 1 558 69 69 LEU HB3 H 1.523 0.020 1 559 69 69 LEU HG H 1.481 0.020 1 560 69 69 LEU HD1 H 1.224 0.020 1 561 69 69 LEU HD2 H 1.224 0.020 1 562 69 69 LEU CA C 54.774 0.3 1 563 69 69 LEU CB C 39.419 0.3 1 564 69 69 LEU CG C 26.169 0.3 1 565 69 69 LEU CD1 C 21.828 0.3 1 566 69 69 LEU N N 119.530 0.3 1 567 70 70 THR H H 7.909 0.020 1 568 70 70 THR HA H 3.806 0.020 1 569 70 70 THR HB H 4.157 0.020 1 570 70 70 THR HG2 H 1.122 0.020 1 571 70 70 THR CA C 63.861 0.3 1 572 70 70 THR CB C 66.147 0.3 1 573 70 70 THR CG2 C 18.515 0.3 1 574 70 70 THR N N 113.765 0.3 1 575 71 71 MET H H 7.120 0.020 1 576 71 71 MET HA H 3.881 0.020 1 577 71 71 MET HB2 H 1.676 0.020 1 578 71 71 MET HB3 H 1.676 0.020 1 579 71 71 MET HG2 H 2.219 0.020 1 580 71 71 MET HG3 H 2.219 0.020 1 581 71 71 MET CA C 56.106 0.3 1 582 71 71 MET CB C 29.595 0.3 1 583 71 71 MET CG C 29.481 0.3 1 584 71 71 MET N N 119.518 0.3 1 585 72 72 MET H H 7.737 0.020 1 586 72 72 MET HA H 3.817 0.020 1 587 72 72 MET HB2 H 1.878 0.020 1 588 72 72 MET HB3 H 1.878 0.020 1 589 72 72 MET HG2 H 2.177 0.020 1 590 72 72 MET HG3 H 2.177 0.020 1 591 72 72 MET HE H 2.110 0.020 1 592 72 72 MET CA C 55.111 0.3 1 593 72 72 MET CB C 27.892 0.3 1 594 72 72 MET CG C 29.595 0.3 1 595 72 72 MET N N 116.280 0.3 1 596 73 73 ALA H H 8.322 0.020 1 597 73 73 ALA HA H 3.838 0.020 1 598 73 73 ALA HB H 1.128 0.020 1 599 73 73 ALA CA C 51.812 0.3 1 600 73 73 ALA CB C 15.203 0.3 1 601 73 73 ALA N N 119.984 0.3 1 602 74 74 ARG H H 7.264 0.020 1 603 74 74 ARG HA H 3.838 0.020 1 604 74 74 ARG HB2 H 1.942 0.020 2 605 74 74 ARG HB3 H 1.527 0.020 2 606 74 74 ARG HG2 H 1.740 0.020 1 607 74 74 ARG HG3 H 1.740 0.020 1 608 74 74 ARG HD2 H 3.039 0.020 1 609 74 74 ARG HD3 H 3.039 0.020 1 610 74 74 ARG CA C 55.957 0.3 1 611 74 74 ARG CB C 25.255 0.3 1 612 74 74 ARG CG C 27.425 0.3 1 613 74 74 ARG CD C 40.675 0.3 1 614 74 74 ARG N N 116.354 0.3 1 615 75 75 LYS H H 7.756 0.020 1 616 75 75 LYS HA H 3.948 0.020 1 617 75 75 LYS HB2 H 1.641 0.020 1 618 75 75 LYS HB3 H 1.641 0.020 1 619 75 75 LYS HG2 H 1.235 0.020 1 620 75 75 LYS HG3 H 1.235 0.020 1 621 75 75 LYS HD2 H 1.534 0.020 1 622 75 75 LYS HD3 H 1.534 0.020 1 623 75 75 LYS HE2 H 2.805 0.020 1 624 75 75 LYS HE3 H 2.805 0.020 1 625 75 75 LYS CA C 54.859 0.3 1 626 75 75 LYS CB C 28.681 0.3 1 627 75 75 LYS CG C 21.714 0.3 1 628 75 75 LYS CD C 30.852 0.3 1 629 75 75 LYS CE C 39.419 0.3 1 630 75 75 LYS N N 120.084 0.3 1 631 76 76 MET H H 7.985 0.020 1 632 76 76 MET HA H 4.168 0.020 1 633 76 76 MET HB2 H 2.421 0.020 1 634 76 76 MET HB3 H 2.421 0.020 1 635 76 76 MET HG2 H 2.677 0.020 1 636 76 76 MET HG3 H 2.677 0.020 1 637 76 76 MET CA C 54.704 0.3 1 638 76 76 MET CB C 30.052 0.3 1 639 76 76 MET CG C 29.938 0.3 1 640 76 76 MET N N 117.139 0.3 1 641 77 77 LYS H H 7.275 0.020 1 642 77 77 LYS HA H 4.221 0.020 1 643 77 77 LYS HB2 H 1.495 0.020 1 644 77 77 LYS HB3 H 1.495 0.020 1 645 77 77 LYS HG2 H 1.229 0.020 2 646 77 77 LYS HG3 H 1.346 0.020 2 647 77 77 LYS HD2 H 1.644 0.020 2 648 77 77 LYS HD3 H 1.793 0.020 2 649 77 77 LYS HE2 H 2.805 0.020 1 650 77 77 LYS HE3 H 2.805 0.020 1 651 77 77 LYS CA C 53.184 0.3 1 652 77 77 LYS CB C 26.283 0.3 1 653 77 77 LYS CG C 21.828 0.3 1 654 77 77 LYS CD C 30.509 0.3 1 655 77 77 LYS CE C 39.419 0.3 1 656 77 77 LYS N N 116.614 0.3 1 657 78 78 ASP H H 8.181 0.020 1 658 78 78 ASP HA H 4.451 0.020 1 659 78 78 ASP HB2 H 2.335 0.020 2 660 78 78 ASP HB3 H 2.506 0.020 2 661 78 78 ASP CA C 51.732 0.3 1 662 78 78 ASP CB C 38.391 0.3 1 663 78 78 ASP N N 123.187 0.3 1 664 79 79 THR H H 8.377 0.020 1 665 79 79 THR HA H 4.034 0.020 1 666 79 79 THR HB H 4.151 0.020 1 667 79 79 THR HG2 H 1.128 0.020 1 668 79 79 THR CA C 61.322 0.3 1 669 79 79 THR CB C 66.147 0.3 1 670 79 79 THR CG2 C 18.972 0.3 1 671 79 79 THR N N 114.325 0.3 1 672 80 80 ASP H H 8.223 0.020 1 673 80 80 ASP HA H 4.305 0.020 1 674 80 80 ASP HB2 H 2.506 0.020 1 675 80 80 ASP HB3 H 2.506 0.020 2 676 80 80 ASP CA C 51.672 0.3 1 677 80 80 ASP CB C 37.591 0.3 1 678 80 80 ASP N N 120.844 0.3 1 679 81 81 SER H H 7.785 0.020 1 680 81 81 SER HA H 3.911 0.020 1 681 81 81 SER HB2 H 3.785 0.020 2 682 81 81 SER HB3 H 3.913 0.020 2 683 81 81 SER CA C 57.939 0.3 1 684 81 81 SER CB C 60.664 0.3 1 685 81 81 SER N N 115.729 0.3 1 686 82 82 GLU H H 8.208 0.020 1 687 82 82 GLU HA H 3.896 0.020 1 688 82 82 GLU HB2 H 1.897 0.020 1 689 82 82 GLU HB3 H 1.897 0.020 2 690 82 82 GLU HG2 H 2.164 0.020 1 691 82 82 GLU HG3 H 2.164 0.020 1 692 82 82 GLU CA C 56.829 0.3 1 693 82 82 GLU CB C 26.625 0.3 1 694 82 82 GLU CG C 33.479 0.3 1 695 82 82 GLU N N 121.960 0.3 1 696 83 83 GLU H H 7.898 0.020 1 697 83 83 GLU HA H 3.838 0.020 1 698 83 83 GLU HB2 H 1.761 0.020 2 699 83 83 GLU HB3 H 1.889 0.020 2 700 83 83 GLU HG2 H 2.166 0.020 1 701 83 83 GLU HG3 H 2.166 0.020 1 702 83 83 GLU CA C 55.945 0.3 1 703 83 83 GLU CB C 26.832 0.3 1 704 83 83 GLU CG C 33.593 0.3 1 705 83 83 GLU N N 118.040 0.3 1 706 84 84 GLU H H 8.154 0.020 1 707 84 84 GLU CA C 54.758 0.3 1 708 84 84 GLU CB C 30.852 0.3 1 709 84 84 GLU CG C 36.791 0.3 1 710 84 84 GLU N N 118.825 0.3 1 711 85 85 ILE H H 7.793 0.020 1 712 85 85 ILE HA H 3.767 0.020 1 713 85 85 ILE HB H 1.812 0.020 1 714 85 85 ILE HG12 H 0.947 0.020 1 715 85 85 ILE HG13 H 0.947 0.020 1 716 85 85 ILE HG2 H 1.513 0.020 1 717 85 85 ILE HD1 H 0.701 0.020 1 718 85 85 ILE CA C 59.858 0.3 1 719 85 85 ILE CB C 35.649 0.3 1 720 85 85 ILE CG1 C 24.798 0.3 1 721 85 85 ILE CG2 C 14.289 0.3 1 722 85 85 ILE CD1 C 9.720 0.3 1 723 85 85 ILE N N 119.310 0.3 1 724 86 86 ARG H H 8.177 0.020 1 725 86 86 ARG HA H 3.925 0.020 1 726 86 86 ARG HB2 H 1.769 0.020 1 727 86 86 ARG HB3 H 1.876 0.020 2 728 86 86 ARG HG2 H 1.513 0.020 1 729 86 86 ARG HG3 H 1.513 0.020 1 730 86 86 ARG HD2 H 2.827 0.020 1 731 86 86 ARG HD3 H 2.827 0.020 1 732 86 86 ARG CA C 57.265 0.3 1 733 86 86 ARG CB C 26.854 0.3 1 734 86 86 ARG CG C 24.569 0.3 1 735 86 86 ARG CD C 39.419 0.3 1 736 86 86 ARG N N 120.640 0.3 1 737 87 87 GLU H H 7.828 0.020 1 738 87 87 GLU HA H 3.852 0.020 1 739 87 87 GLU HB2 H 1.887 0.020 2 740 87 87 GLU HB3 H 1.759 0.020 2 741 87 87 GLU HG2 H 2.175 0.020 1 742 87 87 GLU HG3 H 2.175 0.020 1 743 87 87 GLU CA C 56.643 0.3 1 744 87 87 GLU CB C 26.054 0.3 1 745 87 87 GLU CG C 33.250 0.3 1 746 87 87 GLU N N 119.448 0.3 1 747 88 88 ALA H H 8.283 0.020 1 748 88 88 ALA HA H 4.028 0.020 1 749 88 88 ALA HB H 1.609 0.020 1 750 88 88 ALA CA C 52.596 0.3 1 751 88 88 ALA CB C 14.632 0.3 1 752 88 88 ALA N N 122.592 0.3 1 753 89 89 PHE H H 8.423 0.020 1 754 89 89 PHE HA H 3.114 0.020 1 755 89 89 PHE HB2 H 2.219 0.020 2 756 89 89 PHE HB3 H 2.528 0.020 2 757 89 89 PHE CA C 59.545 0.3 1 758 89 89 PHE CB C 36.335 0.3 1 759 89 89 PHE N N 119.245 0.3 1 760 90 90 ARG H H 7.840 0.020 1 761 90 90 ARG HA H 3.849 0.020 1 762 90 90 ARG HB2 H 1.900 0.020 2 763 90 90 ARG HB3 H 1.761 0.020 2 764 90 90 ARG HG2 H 1.516 0.020 1 765 90 90 ARG HG3 H 1.516 0.020 1 766 90 90 ARG HD2 H 2.720 0.020 2 767 90 90 ARG HD3 H 3.039 0.020 2 768 90 90 ARG CA C 56.313 0.3 1 769 90 90 ARG CB C 27.197 0.3 1 770 90 90 ARG CG C 25.141 0.3 1 771 90 90 ARG CD C 40.675 0.3 1 772 90 90 ARG N N 117.455 0.3 1 773 91 91 VAL H H 7.262 0.020 1 774 91 91 VAL HA H 3.252 0.020 1 775 91 91 VAL HB H 2.070 0.020 1 776 91 91 VAL HG1 H 0.334 0.020 1 777 91 91 VAL HG2 H 0.760 0.020 1 778 91 91 VAL CA C 63.333 0.3 1 779 91 91 VAL CB C 28.110 0.3 1 780 91 91 VAL CG1 C 18.401 0.3 1 781 91 91 VAL CG2 C 20.229 0.3 1 782 91 91 VAL N N 118.698 0.3 1 783 92 92 PHE H H 6.693 0.020 1 784 92 92 PHE HA H 3.934 0.020 1 785 92 92 PHE CA C 57.181 0.3 1 786 92 92 PHE CB C 39.419 0.3 1 787 92 92 PHE N N 112.495 0.3 1 788 93 93 ASP H H 7.954 0.020 1 789 93 93 ASP HA H 4.434 0.020 1 790 93 93 ASP HB2 H 2.879 0.020 2 791 93 93 ASP HB3 H 2.485 0.020 2 792 93 93 ASP CA C 49.781 0.3 1 793 93 93 ASP CB C 36.449 0.3 1 794 93 93 ASP N N 117.214 0.3 1 795 94 94 LYS H H 7.671 0.020 1 796 94 94 LYS HA H 3.779 0.020 1 797 94 94 LYS HB2 H 1.662 0.020 1 798 94 94 LYS HB3 H 1.662 0.020 1 799 94 94 LYS HG2 H 1.342 0.020 2 800 94 94 LYS HG3 H 1.247 0.020 2 801 94 94 LYS HD2 H 1.491 0.020 1 802 94 94 LYS HD3 H 1.491 0.020 1 803 94 94 LYS HE2 H 2.816 0.020 1 804 94 94 LYS HE3 H 2.816 0.020 1 805 94 94 LYS CA C 55.679 0.3 1 806 94 94 LYS CB C 29.595 0.3 1 807 94 94 LYS CG C 21.485 0.3 1 808 94 94 LYS CD C 25.483 0.3 1 809 94 94 LYS CE C 39.190 0.3 1 810 94 94 LYS N N 125.565 0.3 1 811 95 95 ASP H H 7.944 0.020 1 812 95 95 ASP HA H 4.408 0.020 1 813 95 95 ASP HB2 H 2.890 0.020 2 814 95 95 ASP HB3 H 2.475 0.020 2 815 95 95 ASP CA C 50.213 0.3 1 816 95 95 ASP CB C 36.563 0.3 1 817 95 95 ASP N N 114.041 0.3 1 818 96 96 GLY H H 7.529 0.020 1 819 96 96 GLY HA2 H 3.688 0.020 1 820 96 96 GLY HA3 H 3.688 0.020 1 821 96 96 GLY CA C 44.199 0.3 1 822 96 96 GLY N N 108.849 0.3 1 823 97 97 ASN H H 8.234 0.020 1 824 97 97 ASN HA H 4.424 0.020 1 825 97 97 ASN HB2 H 2.879 0.020 2 826 97 97 ASN HB3 H 2.485 0.020 2 827 97 97 ASN CA C 49.683 0.3 1 828 97 97 ASN CB C 36.563 0.3 1 829 97 97 ASN N N 119.410 0.3 1 830 98 98 GLY H H 10.298 0.020 1 831 98 98 GLY HA2 H 3.340 0.020 1 832 98 98 GLY HA3 H 3.930 0.020 2 833 98 98 GLY CA C 42.176 0.3 1 834 98 98 GLY N N 112.073 0.3 1 835 99 99 TYR H H 7.497 0.020 1 836 99 99 TYR HA H 4.818 0.020 1 837 99 99 TYR HB2 H 2.326 0.020 1 838 99 99 TYR HB3 H 2.326 0.020 1 839 99 99 TYR HD1 H 6.770 0.020 1 840 99 99 TYR HD2 H 6.770 0.020 1 841 99 99 TYR CA C 53.681 0.3 1 842 99 99 TYR CB C 39.875 0.3 1 843 99 99 TYR N N 116.011 0.3 1 844 100 100 ILE H H 9.833 0.020 1 845 100 100 ILE HA H 4.423 0.020 1 846 100 100 ILE HB H 1.656 0.020 1 847 100 100 ILE HG2 H 0.685 0.020 1 848 100 100 ILE CA C 58.629 0.3 1 849 100 100 ILE CB C 35.748 0.3 1 850 100 100 ILE CG1 C 24.006 0.3 1 851 100 100 ILE CG2 C 13.860 0.3 1 852 100 100 ILE CD1 C 12.264 0.3 1 853 100 100 ILE N N 126.793 0.3 1 854 101 101 SER H H 8.870 0.020 1 855 101 101 SER HA H 4.657 0.020 1 856 101 101 SER HB2 H 3.774 0.020 1 857 101 101 SER HB3 H 3.774 0.020 1 858 101 101 SER CA C 53.060 0.3 1 859 101 101 SER CB C 64.091 0.3 1 860 101 101 SER N N 123.825 0.3 1 861 102 102 ALA H H 9.209 0.020 1 862 102 102 ALA HA H 3.764 0.020 1 863 102 102 ALA HB H 1.320 0.020 1 864 102 102 ALA CA C 53.050 0.3 1 865 102 102 ALA CB C 14.975 0.3 1 866 102 102 ALA N N 122.909 0.3 1 867 103 103 ALA H H 8.146 0.020 1 868 103 103 ALA HA H 3.874 0.020 1 869 103 103 ALA HB H 1.246 0.020 1 870 103 103 ALA CA C 52.485 0.3 1 871 103 103 ALA CB C 15.203 0.3 1 872 103 103 ALA N N 118.692 0.3 1 873 104 104 GLU H H 7.832 0.020 1 874 104 104 GLU HA H 3.863 0.020 1 875 104 104 GLU HB2 H 1.897 0.020 2 876 104 104 GLU HB3 H 1.759 0.020 2 877 104 104 GLU HG2 H 2.250 0.020 2 878 104 104 GLU HG3 H 2.175 0.020 2 879 104 104 GLU CA C 56.575 0.3 1 880 104 104 GLU CB C 25.369 0.3 1 881 104 104 GLU CG C 33.593 0.3 1 882 104 104 GLU N N 120.098 0.3 1 883 105 105 LEU H H 8.300 0.020 1 884 105 105 LEU HA H 4.116 0.020 1 885 105 105 LEU HB2 H 1.769 0.020 1 886 105 105 LEU HB3 H 1.769 0.020 1 887 105 105 LEU HG H 1.513 0.020 1 888 105 105 LEU HD1 H 0.643 0.020 1 889 105 105 LEU HD2 H 1.096 0.020 1 890 105 105 LEU CA C 55.696 0.3 1 891 105 105 LEU CB C 38.962 0.3 1 892 105 105 LEU CG C 23.770 0.3 1 893 105 105 LEU CD1 C 21.600 0.3 1 894 105 105 LEU N N 121.466 0.3 1 895 106 106 ARG H H 8.882 0.020 1 896 106 106 ARG HA H 3.852 0.020 1 897 106 106 ARG HB2 H 1.765 0.020 2 898 106 106 ARG HB3 H 1.882 0.020 2 899 106 106 ARG HG2 H 1.491 0.020 1 900 106 106 ARG HD2 H 2.731 0.020 2 901 106 106 ARG HD3 H 3.040 0.020 2 902 106 106 ARG CA C 57.434 0.3 1 903 106 106 ARG CB C 27.084 0.3 1 904 106 106 ARG CG C 25.260 0.3 1 905 106 106 ARG CD C 40.650 0.3 1 906 106 106 ARG N N 118.978 0.3 1 907 107 107 HIS H H 7.991 0.020 1 908 107 107 HIS HA H 4.200 0.020 1 909 107 107 HIS HB2 H 3.146 0.020 1 910 107 107 HIS HB3 H 3.146 0.020 1 911 107 107 HIS CA C 56.825 0.3 1 912 107 107 HIS CB C 26.740 0.3 1 913 107 107 HIS N N 118.543 0.3 1 914 108 108 VAL H H 7.425 0.020 1 915 108 108 VAL HA H 3.092 0.020 1 916 108 108 VAL HB H 1.644 0.020 1 917 108 108 VAL HG1 H 0.355 0.020 1 918 108 108 VAL HG2 H 0.600 0.020 1 919 108 108 VAL CA C 64.210 0.3 1 920 108 108 VAL CB C 28.910 0.3 1 921 108 108 VAL CG1 C 20.229 0.3 1 922 108 108 VAL CG2 C 17.716 0.3 1 923 108 108 VAL N N 118.687 0.3 1 924 109 109 MET H H 7.972 0.020 1 925 109 109 MET HA H 3.944 0.020 1 926 109 109 MET HB2 H 1.761 0.020 1 927 109 109 MET HB3 H 1.761 0.020 1 928 109 109 MET HG2 H 2.166 0.020 1 929 109 109 MET HG3 H 2.166 0.020 1 930 109 109 MET CA C 55.212 0.3 1 931 109 109 MET CB C 27.425 0.3 1 932 109 109 MET CG C 31.080 0.3 1 933 109 109 MET N N 115.725 0.3 1 934 110 110 THR H H 8.691 0.020 1 935 110 110 THR HA H 3.852 0.020 1 936 110 110 THR HB H 4.161 0.020 1 937 110 110 THR HG2 H 1.126 0.020 1 938 110 110 THR CA C 63.918 0.3 1 939 110 110 THR CB C 65.844 0.3 1 940 110 110 THR CG2 C 18.762 0.3 1 941 110 110 THR N N 116.999 0.3 1 942 111 111 ASN H H 7.911 0.020 1 943 111 111 ASN HA H 4.241 0.020 1 944 111 111 ASN HB2 H 2.731 0.020 1 945 111 111 ASN HB3 H 2.827 0.020 2 946 111 111 ASN CA C 52.949 0.3 1 947 111 111 ASN CB C 34.964 0.3 1 948 111 111 ASN N N 123.893 0.3 1 949 112 112 LEU H H 7.618 0.020 1 950 112 112 LEU HA H 4.072 0.020 1 951 112 112 LEU HB2 H 1.782 0.020 2 952 112 112 LEU HB3 H 1.506 0.020 2 953 112 112 LEU HG H 1.506 0.020 1 954 112 112 LEU HD1 H 0.568 0.020 1 955 112 112 LEU CA C 52.901 0.3 1 956 112 112 LEU CB C 39.533 0.3 1 957 112 112 LEU CG C 23.541 0.3 1 958 112 112 LEU CD1 C 20.229 0.3 1 959 112 112 LEU CD2 C 21.828 0.3 1 960 112 112 LEU N N 119.244 0.3 1 961 113 113 GLY H H 7.743 0.020 1 962 113 113 GLY HA2 H 4.092 0.020 1 963 113 113 GLY HA3 H 4.092 0.020 2 964 113 113 GLY CA C 42.437 0.3 1 965 113 113 GLY N N 107.263 0.3 1 966 114 114 GLU H H 7.857 0.020 1 967 114 114 GLU HA H 4.290 0.020 1 968 114 114 GLU HB2 H 1.470 0.020 1 969 114 114 GLU HB3 H 1.470 0.020 1 970 114 114 GLU HG2 H 1.801 0.020 1 971 114 114 GLU HG3 H 1.801 0.020 1 972 114 114 GLU CA C 51.526 0.3 1 973 114 114 GLU CB C 27.539 0.3 1 974 114 114 GLU CG C 31.651 0.3 1 975 114 114 GLU N N 120.073 0.3 1 976 115 115 LYS H H 8.377 0.020 1 977 115 115 LYS HA H 4.220 0.020 1 978 115 115 LYS HB2 H 1.588 0.020 1 979 115 115 LYS HB3 H 1.769 0.020 2 980 115 115 LYS HG2 H 1.224 0.020 1 981 115 115 LYS HG3 H 1.224 0.020 2 982 115 115 LYS HD2 H 1.491 0.020 1 983 115 115 LYS HD3 H 1.491 0.020 1 984 115 115 LYS HE2 H 2.805 0.020 1 985 115 115 LYS HE3 H 2.805 0.020 1 986 115 115 LYS CA C 52.894 0.3 1 987 115 115 LYS CB C 29.481 0.3 1 988 115 115 LYS CG C 21.714 0.3 1 989 115 115 LYS CD C 26.283 0.3 1 990 115 115 LYS CE C 39.304 0.3 1 991 115 115 LYS N N 124.142 0.3 1 992 116 116 LEU H H 8.002 0.020 1 993 116 116 LEU HA H 4.472 0.020 1 994 116 116 LEU HB2 H 1.534 0.020 1 995 116 116 LEU HB3 H 1.534 0.020 1 996 116 116 LEU HG H 1.513 0.020 1 997 116 116 LEU HD1 H 0.744 0.020 1 998 116 116 LEU HD2 H 0.744 0.020 1 999 116 116 LEU CA C 51.438 0.3 1 1000 116 116 LEU CB C 40.675 0.3 1 1001 116 116 LEU CG C 23.770 0.3 1 1002 116 116 LEU CD1 C 20.800 0.3 1 1003 116 116 LEU N N 125.240 0.3 1 1004 117 117 THR H H 8.927 0.020 1 1005 117 117 THR CA C 57.922 0.3 1 1006 117 117 THR CB C 68.352 0.3 1 1007 117 117 THR CG2 C 18.876 0.3 1 1008 117 117 THR N N 113.520 0.3 1 1009 118 118 ASP H H 8.754 0.020 1 1010 118 118 ASP HA H 4.043 0.020 1 1011 118 118 ASP HB2 H 2.595 0.020 1 1012 118 118 ASP HB3 H 2.414 0.020 2 1013 118 118 ASP CA C 55.165 0.3 1 1014 118 118 ASP CB C 36.774 0.3 1 1015 118 118 ASP N N 120.859 0.3 1 1016 119 119 GLU H H 8.507 0.020 1 1017 119 119 GLU HA H 3.927 0.020 1 1018 119 119 GLU HB2 H 1.759 0.020 2 1019 119 119 GLU HB3 H 1.876 0.020 2 1020 119 119 GLU HG2 H 2.175 0.020 1 1021 119 119 GLU HG3 H 2.175 0.020 1 1022 119 119 GLU CA C 57.190 0.3 1 1023 119 119 GLU CB C 26.283 0.3 1 1024 119 119 GLU CG C 33.707 0.3 1 1025 119 119 GLU N N 119.112 0.3 1 1026 120 120 GLU H H 7.809 0.020 1 1027 120 120 GLU HA H 3.858 0.020 1 1028 120 120 GLU HB2 H 2.198 0.020 1 1029 120 120 GLU HB3 H 2.198 0.020 1 1030 120 120 GLU HG2 H 2.208 0.020 1 1031 120 120 GLU HG3 H 2.208 0.020 1 1032 120 120 GLU CA C 56.459 0.3 1 1033 120 120 GLU CB C 27.517 0.3 1 1034 120 120 GLU CG C 34.850 0.3 1 1035 120 120 GLU N N 120.059 0.3 1 1036 121 121 VAL H H 7.898 0.020 1 1037 121 121 VAL HA H 3.472 0.020 1 1038 121 121 VAL HB H 2.058 0.020 1 1039 121 121 VAL HG1 H 0.835 0.020 1 1040 121 121 VAL HG2 H 0.338 0.020 1 1041 121 121 VAL CA C 64.082 0.3 1 1042 121 121 VAL CB C 28.567 0.3 1 1043 121 121 VAL CG1 C 20.343 0.3 1 1044 121 121 VAL CG2 C 18.744 0.3 1 1045 121 121 VAL N N 120.512 0.3 1 1046 122 122 ASP H H 7.897 0.020 1 1047 122 122 ASP HA H 4.168 0.020 1 1048 122 122 ASP HB2 H 2.453 0.020 2 1049 122 122 ASP HB3 H 2.603 0.020 2 1050 122 122 ASP CA C 54.906 0.3 1 1051 122 122 ASP CB C 37.477 0.3 1 1052 122 122 ASP N N 119.857 0.3 1 1053 123 123 GLU H H 7.963 0.020 1 1054 123 123 GLU HA H 3.838 0.020 1 1055 123 123 GLU HB2 H 1.887 0.020 2 1056 123 123 GLU HB3 H 1.759 0.020 2 1057 123 123 GLU HG2 H 2.175 0.020 1 1058 123 123 GLU HG3 H 2.175 0.020 1 1059 123 123 GLU CA C 57.077 0.3 1 1060 123 123 GLU CB C 26.169 0.3 1 1061 123 123 GLU CG C 33.022 0.3 1 1062 123 123 GLU N N 119.630 0.3 1 1063 124 124 MET H H 7.631 0.020 1 1064 124 124 MET HA H 3.859 0.020 1 1065 124 124 MET HB2 H 1.921 0.020 2 1066 124 124 MET HB3 H 1.697 0.020 2 1067 124 124 MET HG2 H 2.240 0.020 1 1068 124 124 MET HG3 H 2.240 0.020 1 1069 124 124 MET CA C 56.508 0.3 1 1070 124 124 MET CB C 29.253 0.3 1 1071 124 124 MET CG C 31.080 0.3 1 1072 124 124 MET N N 119.144 0.3 1 1073 125 125 ILE H H 7.669 0.020 1 1074 125 125 ILE HA H 3.284 0.020 1 1075 125 125 ILE HB H 1.900 0.020 1 1076 125 125 ILE HG12 H 0.579 0.020 2 1077 125 125 ILE HG13 H 0.515 0.020 2 1078 125 125 ILE HG2 H 1.026 0.020 1 1079 125 125 ILE HD1 H 0.547 0.020 1 1080 125 125 ILE CA C 61.139 0.3 1 1081 125 125 ILE CB C 34.050 0.3 1 1082 125 125 ILE CG1 C 26.054 0.3 1 1083 125 125 ILE CG2 C 13.490 0.3 1 1084 125 125 ILE CD1 C 8.007 0.3 1 1085 125 125 ILE N N 117.557 0.3 1 1086 126 126 ARG H H 7.952 0.020 1 1087 126 126 ARG HA H 3.858 0.020 1 1088 126 126 ARG HB2 H 1.751 0.020 2 1089 126 126 ARG HB3 H 1.889 0.020 2 1090 126 126 ARG HG2 H 1.484 0.020 1 1091 126 126 ARG HG3 H 1.484 0.020 1 1092 126 126 ARG HD2 H 3.039 0.020 1 1093 126 126 ARG HD3 H 3.039 0.020 1 1094 126 126 ARG CA C 56.802 0.3 1 1095 126 126 ARG CB C 27.425 0.3 1 1096 126 126 ARG CG C 25.369 0.3 1 1097 126 126 ARG CD C 40.561 0.3 1 1098 126 126 ARG N N 118.414 0.3 1 1099 127 127 GLU H H 7.294 0.020 1 1100 127 127 GLU HA H 3.858 0.020 1 1101 127 127 GLU HB2 H 1.889 0.020 2 1102 127 127 GLU HB3 H 1.775 0.020 2 1103 127 127 GLU HG2 H 2.166 0.020 1 1104 127 127 GLU HG3 H 2.166 0.020 1 1105 127 127 GLU CA C 56.215 0.3 1 1106 127 127 GLU CB C 27.197 0.3 1 1107 127 127 GLU CG C 33.707 0.3 1 1108 127 127 GLU N N 116.143 0.3 1 1109 128 128 ALA H H 7.110 0.020 1 1110 128 128 ALA HA H 4.453 0.020 1 1111 128 128 ALA HB H 1.244 0.020 1 1112 128 128 ALA CA C 48.172 0.3 1 1113 128 128 ALA CB C 19.772 0.3 1 1114 128 128 ALA N N 116.994 0.3 1 1115 129 129 ASP H H 7.508 0.020 1 1116 129 129 ASP HA H 4.442 0.020 1 1117 129 129 ASP HB2 H 2.326 0.020 1 1118 129 129 ASP HB3 H 2.326 0.020 1 1119 129 129 ASP CA C 51.633 0.3 1 1120 129 129 ASP CB C 38.505 0.3 1 1121 129 129 ASP N N 117.846 0.3 1 1122 130 130 ILE H H 8.168 0.020 1 1123 130 130 ILE HA H 3.750 0.020 1 1124 130 130 ILE HB H 1.803 0.020 1 1125 130 130 ILE HG12 H 0.947 0.020 1 1126 130 130 ILE HG13 H 0.744 0.020 2 1127 130 130 ILE HG2 H 1.513 0.020 1 1128 130 130 ILE HD1 H 0.690 0.020 1 1129 130 130 ILE CA C 60.583 0.3 1 1130 130 130 ILE CB C 35.763 0.3 1 1131 130 130 ILE CG1 C 24.798 0.3 1 1132 130 130 ILE CG2 C 14.289 0.3 1 1133 130 130 ILE CD1 C 9.606 0.3 1 1134 130 130 ILE N N 128.118 0.3 1 1135 131 131 ASP H H 8.136 0.020 1 1136 131 131 ASP HA H 4.296 0.020 1 1137 131 131 ASP HB3 H 2.251 0.020 1 1138 131 131 ASP CA C 51.122 0.3 1 1139 131 131 ASP CB C 37.477 0.3 1 1140 131 131 ASP N N 116.572 0.3 1 1141 132 132 GLY H H 7.460 0.020 1 1142 132 132 GLY HA2 H 3.668 0.020 2 1143 132 132 GLY HA3 H 3.691 0.020 2 1144 132 132 GLY CA C 44.507 0.3 1 1145 132 132 GLY N N 108.411 0.3 1 1146 133 133 ASP H H 8.177 0.020 1 1147 133 133 ASP HA H 4.296 0.020 1 1148 133 133 ASP HB2 H 2.315 0.020 1 1149 133 133 ASP HB3 H 2.315 0.020 1 1150 133 133 ASP CA C 50.853 0.3 1 1151 133 133 ASP N N 120.424 0.3 1 1152 134 134 GLY H H 10.043 0.020 1 1153 134 134 GLY HA2 H 3.869 0.020 2 1154 134 134 GLY HA3 H 3.243 0.020 2 1155 134 134 GLY CA C 43.053 0.3 1 1156 134 134 GLY N N 112.396 0.3 1 1157 135 135 GLN H H 7.866 0.020 1 1158 135 135 GLN HA H 4.804 0.020 1 1159 135 135 GLN HB2 H 1.633 0.020 1 1160 135 135 GLN HB3 H 1.633 0.020 1 1161 135 135 GLN HG2 H 1.804 0.020 1 1162 135 135 GLN HG3 H 1.804 0.020 1 1163 135 135 GLN CA C 50.415 0.3 1 1164 135 135 GLN CB C 30.281 0.3 1 1165 135 135 GLN CG C 31.194 0.3 1 1166 135 135 GLN N N 115.588 0.3 1 1167 136 136 VAL H H 8.856 0.020 1 1168 136 136 VAL HA H 4.999 0.020 1 1169 136 136 VAL HB H 2.027 0.020 1 1170 136 136 VAL HG1 H 1.037 0.020 1 1171 136 136 VAL HG2 H 0.676 0.020 1 1172 136 136 VAL CA C 58.707 0.3 1 1173 136 136 VAL CB C 31.080 0.3 1 1174 136 136 VAL CG1 C 19.315 0.3 1 1175 136 136 VAL CG2 C 18.961 0.3 1 1176 136 136 VAL N N 124.910 0.3 1 1177 137 137 ASN H H 9.390 0.020 1 1178 137 137 ASN HA H 5.173 0.020 1 1179 137 137 ASN HB2 H 2.958 0.020 1 1180 137 137 ASN HB3 H 2.958 0.020 1 1181 137 137 ASN CA C 48.083 0.3 1 1182 137 137 ASN CB C 35.634 0.3 1 1183 137 137 ASN N N 129.009 0.3 1 1184 138 138 TYR H H 8.075 0.020 1 1185 138 138 TYR HA H 4.478 0.020 1 1186 138 138 TYR HB2 H 3.275 0.020 2 1187 138 138 TYR HB3 H 3.393 0.020 2 1188 138 138 TYR HD2 H 6.770 0.020 1 1189 138 138 TYR CA C 59.799 0.3 1 1190 138 138 TYR CB C 35.535 0.3 1 1191 138 138 TYR N N 118.471 0.3 1 1192 139 139 GLU H H 7.925 0.020 1 1193 139 139 GLU HA H 3.838 0.020 1 1194 139 139 GLU HB2 H 1.876 0.020 1 1195 139 139 GLU HB3 H 1.876 0.020 1 1196 139 139 GLU HG2 H 2.177 0.020 1 1197 139 139 GLU HG3 H 2.177 0.020 1 1198 139 139 GLU CA C 57.532 0.3 1 1199 139 139 GLU CB C 25.940 0.3 1 1200 139 139 GLU CG C 33.250 0.3 1 1201 139 139 GLU N N 118.535 0.3 1 1202 140 140 GLU H H 8.664 0.020 1 1203 140 140 GLU HA H 3.849 0.020 1 1204 140 140 GLU HB2 H 1.769 0.020 2 1205 140 140 GLU HB3 H 1.940 0.020 2 1206 140 140 GLU HG2 H 2.218 0.020 1 1207 140 140 GLU HG3 H 2.218 0.020 1 1208 140 140 GLU CA C 56.082 0.3 1 1209 140 140 GLU CB C 26.511 0.3 1 1210 140 140 GLU CG C 31.080 0.3 1 1211 140 140 GLU N N 119.583 0.3 1 1212 141 141 PHE H H 8.395 0.020 1 1213 141 141 PHE HA H 3.721 0.020 1 1214 141 141 PHE HB2 H 3.252 0.020 2 1215 141 141 PHE HB3 H 2.901 0.020 2 1216 141 141 PHE CA C 59.092 0.3 1 1217 141 141 PHE CB C 37.705 0.3 1 1218 141 141 PHE N N 123.810 0.3 1 1219 142 142 VAL H H 8.484 0.020 1 1220 142 142 VAL HA H 3.092 0.020 1 1221 142 142 VAL HB H 1.644 0.020 1 1222 142 142 VAL HG1 H 0.600 0.020 1 1223 142 142 VAL HG2 H 0.355 0.020 1 1224 142 142 VAL CA C 64.182 0.3 1 1225 142 142 VAL CB C 28.796 0.3 1 1226 142 142 VAL CG1 C 20.457 0.3 1 1227 142 142 VAL CG2 C 18.515 0.3 1 1228 142 142 VAL N N 118.551 0.3 1 1229 143 143 GLN H H 7.803 0.020 1 1230 143 143 GLN HA H 3.838 0.020 1 1231 143 143 GLN HB2 H 1.932 0.020 1 1232 143 143 GLN HB3 H 1.932 0.020 1 1233 143 143 GLN HG2 H 2.240 0.020 1 1234 143 143 GLN HG3 H 2.240 0.020 1 1235 143 143 GLN CA C 56.273 0.3 1 1236 143 143 GLN CB C 24.912 0.3 1 1237 143 143 GLN CG C 31.309 0.3 1 1238 143 143 GLN N N 119.672 0.3 1 1239 144 144 MET H H 7.322 0.020 1 1240 144 144 MET HA H 3.943 0.020 1 1241 144 144 MET HB2 H 1.655 0.020 1 1242 144 144 MET HB3 H 1.655 0.020 1 1243 144 144 MET HG2 H 1.644 0.020 1 1244 144 144 MET HG3 H 1.644 0.020 1 1245 144 144 MET CA C 55.387 0.3 1 1246 144 144 MET CB C 29.709 0.3 1 1247 144 144 MET CG C 30.509 0.3 1 1248 144 144 MET N N 116.710 0.3 1 1249 145 145 MET H H 7.467 0.020 1 1250 145 145 MET HA H 4.062 0.020 1 1251 145 145 MET HG2 H 1.804 0.020 1 1252 145 145 MET HG3 H 1.804 0.020 1 1253 145 145 MET CA C 53.291 0.3 1 1254 145 145 MET CB C 29.253 0.3 1 1255 145 145 MET CG C 30.052 0.3 1 1256 145 145 MET N N 114.879 0.3 1 1257 146 146 THR H H 7.551 0.020 1 1258 146 146 THR HA H 4.136 0.020 1 1259 146 146 THR HB H 4.104 0.020 1 1260 146 146 THR HG2 H 0.984 0.020 1 1261 146 146 THR CA C 59.201 0.3 1 1262 146 146 THR CB C 67.404 0.3 1 1263 146 146 THR CG2 C 18.401 0.3 1 1264 146 146 THR N N 108.698 0.3 1 1265 147 147 ALA H H 7.596 0.020 1 1266 147 147 ALA HA H 4.145 0.020 1 1267 147 147 ALA HB H 1.247 0.020 1 1268 147 147 ALA CA C 50.073 0.3 1 1269 147 147 ALA CB C 16.345 0.3 1 1270 147 147 ALA N N 126.669 0.3 1 1271 148 148 LYS H H 7.805 0.020 1 1272 148 148 LYS HA H 3.964 0.020 1 1273 148 148 LYS HB2 H 1.523 0.020 1 1274 148 148 LYS HB3 H 1.523 0.020 1 1275 148 148 LYS HG2 H 1.217 0.020 1 1276 148 148 LYS HG3 H 1.217 0.020 1 1277 148 148 LYS HD2 H 1.641 0.020 1 1278 148 148 LYS HD3 H 1.641 0.020 1 1279 148 148 LYS HE2 H 2.816 0.020 1 1280 148 148 LYS HE3 H 2.816 0.020 1 1281 148 148 LYS CA C 54.753 0.3 1 1282 148 148 LYS CB C 26.283 0.3 1 1283 148 148 LYS CG C 21.828 0.3 1 1284 148 148 LYS CD C 30.852 0.3 1 1285 148 148 LYS CE C 39.419 0.3 1 1286 148 148 LYS N N 126.016 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 iNOS _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 1 149 1 LEU H H 10.263 0.020 1 2 149 1 LEU HA H 3.779 0.020 1 3 149 1 LEU HB2 H 1.788 0.020 1 4 149 1 LEU HB3 H 1.788 0.020 1 5 149 1 LEU HG H 1.333 0.020 1 6 149 1 LEU HD1 H 0.717 0.020 1 7 149 1 LEU HD2 H 0.717 0.020 1 8 149 1 LEU CA C 55.533 0.3 1 9 149 1 LEU N N 128.585 0.3 1 10 150 2 LYS H H 8.861 0.020 1 11 150 2 LYS HA H 3.798 0.020 1 12 150 2 LYS HB2 H 1.671 0.020 1 13 150 2 LYS HB3 H 1.671 0.020 1 14 150 2 LYS HG2 H 1.260 0.020 1 15 150 2 LYS HG3 H 1.260 0.020 1 16 150 2 LYS CA C 56.947 0.3 1 17 150 2 LYS N N 115.210 0.3 1 18 151 3 VAL H H 6.777 0.020 1 19 151 3 VAL HA H 3.490 0.020 1 20 151 3 VAL HB H 2.037 0.020 1 21 151 3 VAL HG1 H 0.773 0.020 1 22 151 3 VAL HG2 H 0.773 0.020 1 23 151 3 VAL CA C 63.221 0.3 1 24 151 3 VAL N N 117.710 0.3 1 25 152 4 LEU H H 7.802 0.020 1 26 152 4 LEU HA H 3.886 0.020 1 27 152 4 LEU HB2 H 1.681 0.020 1 28 152 4 LEU HB3 H 1.681 0.020 1 29 152 4 LEU HG H 1.348 0.020 1 30 152 4 LEU HD1 H 0.966 0.020 1 31 152 4 LEU CA C 55.392 0.3 1 32 152 4 LEU N N 120.709 0.3 1 33 153 5 VAL H H 8.710 0.020 1 34 153 5 VAL HA H 3.827 0.020 1 35 153 5 VAL HB H 1.949 0.020 1 36 153 5 VAL HG1 H 0.717 0.020 1 37 153 5 VAL HG2 H 0.717 0.020 1 38 153 5 VAL CA C 64.212 0.3 1 39 153 5 VAL N N 111.964 0.3 1 40 154 6 LYS H H 7.163 0.020 1 41 154 6 LYS HA H 3.882 0.020 1 42 154 6 LYS HB2 H 2.037 0.020 1 43 154 6 LYS HB3 H 2.037 0.020 1 44 154 6 LYS HG2 H 0.717 0.020 1 45 154 6 LYS HG3 H 0.717 0.020 1 46 154 6 LYS HD2 H 1.700 0.020 1 47 154 6 LYS HD3 H 1.700 0.020 1 48 154 6 LYS CA C 57.786 0.3 1 49 154 6 LYS N N 119.833 0.3 1 50 155 7 ALA H H 7.803 0.020 1 51 155 7 ALA HA H 4.395 0.020 1 52 155 7 ALA HB H 1.700 0.020 1 53 155 7 ALA CA C 53.207 0.3 1 54 155 7 ALA N N 120.555 0.3 1 55 156 8 VAL H H 8.295 0.020 1 56 156 8 VAL HA H 3.578 0.020 1 57 156 8 VAL HB H 2.331 0.020 1 58 156 8 VAL HG1 H 0.996 0.020 1 59 156 8 VAL HG2 H 0.996 0.020 1 60 156 8 VAL CA C 64.502 0.3 1 61 156 8 VAL N N 116.827 0.3 1 62 157 9 LEU H H 8.910 0.020 1 63 157 9 LEU HA H 4.003 0.020 1 64 157 9 LEU HB2 H 1.685 0.020 1 65 157 9 LEU HB3 H 1.685 0.020 1 66 157 9 LEU HG H 1.667 0.020 1 67 157 9 LEU HD1 H 0.952 0.020 1 68 157 9 LEU HD2 H 0.952 0.020 1 69 157 9 LEU CA C 56.264 0.3 1 70 157 9 LEU N N 121.446 0.3 1 71 158 10 PHE H H 7.935 0.020 1 72 158 10 PHE HA H 4.165 0.020 1 73 158 10 PHE HB2 H 3.402 0.020 1 74 158 10 PHE HB3 H 3.402 0.020 1 75 158 10 PHE HD1 H 6.776 0.020 1 76 158 10 PHE HD2 H 6.776 0.020 1 77 158 10 PHE CA C 58.812 0.3 1 78 158 10 PHE N N 118.793 0.3 1 79 159 11 ALA H H 7.687 0.020 1 80 159 11 ALA HA H 3.636 0.020 1 81 159 11 ALA HB H 1.612 0.020 1 82 159 11 ALA CA C 52.859 0.3 1 83 159 11 ALA N N 117.951 0.3 1 84 160 12 CYS H H 8.557 0.020 1 85 160 12 CYS HA H 4.077 0.020 1 86 160 12 CYS HB2 H 3.035 0.020 1 87 160 12 CYS HB3 H 3.035 0.020 1 88 160 12 CYS CA C 61.415 0.3 1 89 160 12 CYS N N 115.303 0.3 1 90 161 13 MET H H 8.502 0.020 1 91 161 13 MET HA H 3.930 0.020 1 92 161 13 MET HB2 H 1.979 0.020 1 93 161 13 MET HB3 H 1.979 0.020 1 94 161 13 MET HG2 H 2.712 0.020 1 95 161 13 MET HG3 H 2.712 0.020 1 96 161 13 MET CA C 56.156 0.3 1 97 161 13 MET N N 120.601 0.3 1 98 162 14 LEU H H 7.168 0.020 1 99 162 14 LEU HA H 3.930 0.020 1 100 162 14 LEU HB2 H 1.465 0.020 1 101 162 14 LEU HB3 H 1.465 0.020 1 102 162 14 LEU HG H 1.128 0.020 1 103 162 14 LEU HD1 H 0.321 0.020 1 104 162 14 LEU HD2 H 0.321 0.020 1 105 162 14 LEU CA C 52.975 0.3 1 106 162 14 LEU N N 118.166 0.3 1 107 163 15 MET H H 7.258 0.020 1 108 163 15 MET HA H 4.032 0.020 1 109 163 15 MET HB2 H 1.949 0.020 1 110 163 15 MET HB3 H 1.949 0.020 1 111 163 15 MET HG2 H 2.639 0.020 1 112 163 15 MET HG3 H 2.639 0.020 1 113 163 15 MET CA C 54.169 0.3 1 114 163 15 MET N N 117.255 0.3 1 115 164 16 ARG H H 8.051 0.020 1 116 164 16 ARG HA H 4.091 0.020 1 117 164 16 ARG HB2 H 1.759 0.020 1 118 164 16 ARG HB3 H 1.759 0.020 1 119 164 16 ARG HG2 H 1.696 0.020 1 120 164 16 ARG HG3 H 1.696 0.020 1 121 164 16 ARG CA C 53.310 0.3 1 122 164 16 ARG N N 122.437 0.3 1 123 165 17 LYS H H 7.932 0.020 1 124 165 17 LYS HA H 4.146 0.020 1 125 165 17 LYS HB2 H 1.608 0.020 1 126 165 17 LYS HB3 H 1.608 0.020 1 127 165 17 LYS HG2 H 1.271 0.020 1 128 165 17 LYS HG3 H 1.271 0.020 1 129 165 17 LYS HE2 H 3.104 0.020 1 130 165 17 LYS HE3 H 3.104 0.020 1 131 165 17 LYS HZ H 7.550 0.020 1 132 165 17 LYS CA C 54.802 0.3 1 133 165 17 LYS N N 128.142 0.3 1 stop_ save_