data_17264 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5 ; _BMRB_accession_number 17264 _BMRB_flat_file_name bmr17264.str _Entry_type original _Submission_date 2010-10-24 _Accession_date 2010-10-24 _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 Chagot Benjamin . . 2 Chazin Walter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1040 "13C chemical shifts" 713 "15N chemical shifts" 193 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-01 update BMRB 'update entry citation' 2010-12-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Apo-Calmodulin in Complex with the IQ Motif of Human Cardiac Sodium Channel NaV1.5.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21167176 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chagot Benjamin . . 2 Chazin Walter J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 406 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 106 _Page_last 119 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'calmodulin IQ motif complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calmodulin $calmodulin IQ_motif $IQ_motif stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calmodulin _Molecular_mass 16721.465 _Mol_thiol_state '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 17360 entity_1 100.00 148 100.00 100.00 4.69e-100 BMRB 17771 Calmodulin 100.00 148 100.00 100.00 4.69e-100 BMRB 17807 Calmodulin 99.32 147 100.00 100.00 2.44e-99 BMRB 18027 CaM 100.00 148 100.00 100.00 4.69e-100 BMRB 18028 CaM 100.00 148 100.00 100.00 4.69e-100 BMRB 18556 Calmodulin 100.00 148 98.65 99.32 2.53e-98 BMRB 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_IQ_motif _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IQ_motif _Molecular_mass 3529.137 _Mol_thiol_state 'not present' _Details . _Residue_count 31 _Mol_residue_sequence ; GPGSEEVSAMVIQRAFRRHL LQRSLKHASFL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 GLY 4 -1 SER 5 1901 GLU 6 1902 GLU 7 1903 VAL 8 1904 SER 9 1905 ALA 10 1906 MET 11 1907 VAL 12 1908 ILE 13 1909 GLN 14 1910 ARG 15 1911 ALA 16 1912 PHE 17 1913 ARG 18 1914 ARG 19 1915 HIS 20 1916 LEU 21 1917 LEU 22 1918 GLN 23 1919 ARG 24 1920 SER 25 1921 LEU 26 1922 LYS 27 1923 HIS 28 1924 ALA 29 1925 SER 30 1926 PHE 31 1927 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 PDB 2L53 "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" 100.00 31 100.00 100.00 4.83e-12 PDB 4DCK "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" 87.10 168 100.00 100.00 2.30e-08 PDB 4JQ0 "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" 87.10 191 100.00 100.00 3.03e-08 DBJ BAD12084 "TTX-resistant sodium channel [Homo sapiens]" 87.10 2016 100.00 100.00 3.30e-08 DBJ BAD12085 "TTX-resistant sodium channel splicing variant [Homo sapiens]" 87.10 1962 100.00 100.00 3.17e-08 DBJ BAD92103 "voltage-gated sodium channel type V alpha isoform b variant [Homo sapiens]" 87.10 1576 100.00 100.00 2.97e-08 GB AAA58644 "sodium channel alpha subunit [Homo sapiens]" 87.10 2016 100.00 100.00 3.30e-08 GB AAI40814 "SCN5A protein [Homo sapiens]" 87.10 1983 100.00 100.00 3.42e-08 GB AAI44622 "SCN5A protein [Homo sapiens]" 87.10 1983 100.00 100.00 3.42e-08 GB AAK74065 "voltage-gated sodium channel type V alpha subunit jejunal variant [Homo sapiens]" 87.10 2015 100.00 100.00 3.30e-08 GB AAN61120 "cardiac sodium channel alpha subunit Nav1.5 [Homo sapiens]" 87.10 2015 100.00 100.00 3.18e-08 REF NP_000326 "sodium channel protein type 5 subunit alpha isoform b [Homo sapiens]" 87.10 2015 100.00 100.00 3.18e-08 REF NP_001092874 "sodium channel protein type 5 subunit alpha isoform c [Homo sapiens]" 87.10 2016 100.00 100.00 3.30e-08 REF NP_001092875 "sodium channel protein type 5 subunit alpha isoform d [Homo sapiens]" 87.10 1998 100.00 100.00 3.36e-08 REF NP_001153632 "sodium channel protein type 5 subunit alpha isoform e [Homo sapiens]" 87.10 1983 100.00 100.00 3.42e-08 REF NP_001153633 "sodium channel protein type 5 subunit alpha isoform f [Homo sapiens]" 87.10 1962 100.00 100.00 3.17e-08 SP Q14524 "RecName: Full=Sodium channel protein type 5 subunit alpha; AltName: Full=HH1; AltName: Full=Sodium channel protein cardiac musc" 87.10 2016 100.00 100.00 3.21e-08 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $calmodulin Human 9606 Eukaryota Metazoa Homo sapiens 'human calmodulin' $IQ_motif Human 9606 Eukaryota Metazoa Homo sapiens 'human NaV1.5 IQ motif (first 4 residues are cloning artefacts)' 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 _Details $calmodulin 'recombinant technology' . Escherichia coli BL21(DE3) pET15b 'not tag used' $IQ_motif 'recombinant technology' . Escherichia coli BL21(DE3) pBG102 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calmodulin 1 mM '[U-99% 13C; U-99% 15N]' $IQ_motif 1 mM '[U-99% 13C; U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' KCl 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calmodulin 1 mM 'natural abundance' $IQ_motif 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' KCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 10 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'equipped with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'equipped with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 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_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.3 . 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 water C 13 protons ppm 4.7 na indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1.0 water N 15 protons ppm 4.7 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D H(CCO)NH' '2D 1H-1H 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 calmodulin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.362 0.003 1 2 1 1 ALA HB H 1.401 0.007 1 3 1 1 ALA C C 176.939 0.000 1 4 1 1 ALA CA C 52.796 0.012 1 5 1 1 ALA CB C 19.253 0.022 1 6 2 2 ASP H H 8.365 0.002 1 7 2 2 ASP HA H 4.507 0.005 1 8 2 2 ASP HB2 H 2.652 0.004 2 9 2 2 ASP HB3 H 2.652 0.004 2 10 2 2 ASP C C 175.874 0.000 1 11 2 2 ASP CA C 54.860 0.008 1 12 2 2 ASP CB C 41.056 0.026 1 13 2 2 ASP N N 118.585 0.013 1 14 3 3 GLN H H 8.116 0.001 1 15 3 3 GLN HA H 4.407 0.012 1 16 3 3 GLN HB2 H 1.968 0.004 2 17 3 3 GLN HB3 H 2.108 0.010 2 18 3 3 GLN HE21 H 7.568 0.001 2 19 3 3 GLN HE22 H 6.863 0.001 2 20 3 3 GLN HG2 H 2.353 0.000 2 21 3 3 GLN HG3 H 2.353 0.000 2 22 3 3 GLN C C 175.763 0.000 1 23 3 3 GLN CA C 55.443 0.035 1 24 3 3 GLN CB C 30.344 0.114 1 25 3 3 GLN CG C 33.691 0.000 1 26 3 3 GLN N N 117.865 0.012 1 27 3 3 GLN NE2 N 112.239 0.001 1 28 4 4 LEU H H 8.310 0.001 1 29 4 4 LEU HA H 4.620 0.001 1 30 4 4 LEU HB2 H 1.395 0.011 2 31 4 4 LEU HB3 H 1.716 0.006 2 32 4 4 LEU HD1 H 0.879 0.000 2 33 4 4 LEU HD2 H 0.921 0.000 2 34 4 4 LEU HG H 1.714 0.008 1 35 4 4 LEU C C 177.646 0.000 1 36 4 4 LEU CA C 54.452 0.006 1 37 4 4 LEU CB C 43.485 0.052 1 38 4 4 LEU CD1 C 23.809 0.000 1 39 4 4 LEU CD2 C 27.159 0.000 1 40 4 4 LEU CG C 27.154 0.011 1 41 4 4 LEU N N 121.788 0.029 1 42 5 5 THR H H 8.756 0.003 1 43 5 5 THR HA H 4.465 0.005 1 44 5 5 THR HB H 4.790 0.003 1 45 5 5 THR HG2 H 1.335 0.000 1 46 5 5 THR C C 175.511 0.001 1 47 5 5 THR CA C 60.497 0.027 1 48 5 5 THR CB C 71.198 0.075 1 49 5 5 THR CG2 C 21.922 0.000 1 50 5 5 THR N N 112.765 0.034 1 51 6 6 GLU H H 9.032 0.002 1 52 6 6 GLU HA H 3.949 0.001 1 53 6 6 GLU HB2 H 2.046 0.008 2 54 6 6 GLU HB3 H 2.046 0.008 2 55 6 6 GLU HG2 H 2.345 0.000 2 56 6 6 GLU HG3 H 2.426 0.000 2 57 6 6 GLU C C 179.575 0.000 1 58 6 6 GLU CA C 60.143 0.045 1 59 6 6 GLU CB C 29.314 0.024 1 60 6 6 GLU CG C 36.693 0.000 1 61 6 6 GLU N N 120.106 0.022 1 62 7 7 GLU H H 8.735 0.001 1 63 7 7 GLU HA H 4.050 0.012 1 64 7 7 GLU HB2 H 1.932 0.000 2 65 7 7 GLU HB3 H 2.045 0.001 2 66 7 7 GLU HG2 H 2.280 0.000 2 67 7 7 GLU HG3 H 2.400 0.000 2 68 7 7 GLU C C 179.334 0.000 1 69 7 7 GLU CA C 60.257 0.035 1 70 7 7 GLU CB C 29.064 0.020 1 71 7 7 GLU CG C 36.998 0.000 1 72 7 7 GLU N N 119.169 0.010 1 73 8 8 GLN H H 7.735 0.001 1 74 8 8 GLN HA H 3.788 0.003 1 75 8 8 GLN HB2 H 1.372 0.011 2 76 8 8 GLN HB3 H 2.255 0.002 2 77 8 8 GLN HE21 H 7.604 0.000 2 78 8 8 GLN HE22 H 6.719 0.000 2 79 8 8 GLN HG2 H 2.228 0.000 2 80 8 8 GLN HG3 H 2.316 0.000 2 81 8 8 GLN C C 177.690 0.000 1 82 8 8 GLN CA C 58.777 0.052 1 83 8 8 GLN CB C 29.200 0.031 1 84 8 8 GLN CG C 34.956 0.000 1 85 8 8 GLN N N 120.340 0.029 1 86 8 8 GLN NE2 N 110.844 0.017 1 87 9 9 ILE H H 8.247 0.002 1 88 9 9 ILE HA H 3.450 0.004 1 89 9 9 ILE HB H 1.843 0.007 1 90 9 9 ILE HD1 H 0.815 0.003 1 91 9 9 ILE HG12 H 0.962 0.000 2 92 9 9 ILE HG13 H 0.962 0.000 2 93 9 9 ILE HG2 H 1.135 0.000 1 94 9 9 ILE C C 177.783 0.000 1 95 9 9 ILE CA C 66.828 0.022 1 96 9 9 ILE CB C 38.154 0.028 1 97 9 9 ILE CD1 C 13.302 0.011 1 98 9 9 ILE CG1 C 30.484 0.000 1 99 9 9 ILE CG2 C 17.339 0.000 1 100 9 9 ILE N N 118.293 0.012 1 101 10 10 ALA H H 7.937 0.002 1 102 10 10 ALA HA H 4.164 0.003 1 103 10 10 ALA HB H 1.517 0.008 1 104 10 10 ALA C C 180.872 0.000 1 105 10 10 ALA CA C 55.466 0.061 1 106 10 10 ALA CB C 18.026 0.032 1 107 10 10 ALA N N 120.311 0.036 1 108 11 11 GLU H H 7.814 0.001 1 109 11 11 GLU HA H 4.145 0.007 1 110 11 11 GLU HB2 H 2.103 0.000 2 111 11 11 GLU HB3 H 2.103 0.000 2 112 11 11 GLU HG2 H 2.245 0.000 2 113 11 11 GLU HG3 H 2.484 0.000 2 114 11 11 GLU C C 180.339 0.000 1 115 11 11 GLU CA C 59.476 0.019 1 116 11 11 GLU CB C 29.394 0.029 1 117 11 11 GLU CG C 36.061 0.000 1 118 11 11 GLU N N 119.981 0.022 1 119 12 12 PHE H H 8.820 0.002 1 120 12 12 PHE HA H 4.919 0.003 1 121 12 12 PHE HB2 H 3.495 0.009 2 122 12 12 PHE HB3 H 3.730 0.019 2 123 12 12 PHE HD1 H 7.137 0.006 1 124 12 12 PHE HD2 H 7.137 0.006 1 125 12 12 PHE HE1 H 7.293 0.006 1 126 12 12 PHE HE2 H 7.293 0.006 1 127 12 12 PHE HZ H 7.225 0.000 1 128 12 12 PHE C C 178.163 0.000 1 129 12 12 PHE CA C 58.475 0.013 1 130 12 12 PHE CB C 37.085 0.062 1 131 12 12 PHE N N 120.183 0.023 1 132 13 13 LYS H H 9.240 0.003 1 133 13 13 LYS HA H 3.762 0.003 1 134 13 13 LYS HB2 H 1.812 0.000 2 135 13 13 LYS HB3 H 1.954 0.002 2 136 13 13 LYS HD2 H 1.203 0.000 2 137 13 13 LYS HD3 H 1.302 0.000 2 138 13 13 LYS HE2 H 2.660 0.000 2 139 13 13 LYS HE3 H 2.660 0.000 2 140 13 13 LYS HG2 H 0.778 0.000 2 141 13 13 LYS HG3 H 1.139 0.008 2 142 13 13 LYS C C 179.267 0.000 1 143 13 13 LYS CA C 59.863 0.008 1 144 13 13 LYS CB C 32.116 0.039 1 145 13 13 LYS CD C 28.694 0.000 1 146 13 13 LYS CE C 42.027 0.000 1 147 13 13 LYS CG C 24.890 0.110 1 148 13 13 LYS N N 121.349 0.032 1 149 14 14 GLU H H 8.082 0.002 1 150 14 14 GLU HA H 4.056 0.003 1 151 14 14 GLU HB2 H 2.195 0.002 2 152 14 14 GLU HB3 H 2.195 0.002 2 153 14 14 GLU HG2 H 2.379 0.000 2 154 14 14 GLU HG3 H 2.379 0.000 2 155 14 14 GLU C C 178.908 0.000 1 156 14 14 GLU CA C 59.607 0.028 1 157 14 14 GLU CB C 29.387 0.033 1 158 14 14 GLU CG C 36.016 0.000 1 159 14 14 GLU N N 120.345 0.028 1 160 15 15 ALA H H 7.670 0.001 1 161 15 15 ALA HA H 4.332 0.003 1 162 15 15 ALA HB H 1.712 0.001 1 163 15 15 ALA C C 179.089 0.000 1 164 15 15 ALA CA C 55.155 0.025 1 165 15 15 ALA CB C 19.336 0.029 1 166 15 15 ALA N N 120.703 0.026 1 167 16 16 PHE H H 8.540 0.001 1 168 16 16 PHE HA H 3.763 0.001 1 169 16 16 PHE HB2 H 2.913 0.002 2 170 16 16 PHE HB3 H 3.208 0.006 2 171 16 16 PHE HD1 H 6.516 0.007 1 172 16 16 PHE HD2 H 6.516 0.007 1 173 16 16 PHE HE1 H 6.889 0.011 1 174 16 16 PHE HE2 H 6.889 0.011 1 175 16 16 PHE HZ H 7.404 0.000 1 176 16 16 PHE C C 177.546 0.000 1 177 16 16 PHE CA C 61.998 0.009 1 178 16 16 PHE CB C 40.904 0.028 1 179 16 16 PHE N N 117.681 0.022 1 180 17 17 SER H H 8.434 0.002 1 181 17 17 SER HA H 4.267 0.000 1 182 17 17 SER HB2 H 4.074 0.001 2 183 17 17 SER HB3 H 4.074 0.001 2 184 17 17 SER C C 175.955 0.000 1 185 17 17 SER CA C 61.812 0.031 1 186 17 17 SER CB C 63.275 0.025 1 187 17 17 SER N N 110.887 0.015 1 188 18 18 LEU H H 7.369 0.001 1 189 18 18 LEU HA H 3.944 0.007 1 190 18 18 LEU HB2 H 1.143 0.003 2 191 18 18 LEU HB3 H 1.748 0.000 2 192 18 18 LEU HD1 H 0.776 0.002 2 193 18 18 LEU HD2 H 0.914 0.000 2 194 18 18 LEU HG H 1.670 0.006 1 195 18 18 LEU C C 177.979 0.000 1 196 18 18 LEU CA C 57.104 0.043 1 197 18 18 LEU CB C 41.760 0.021 1 198 18 18 LEU CD1 C 23.154 0.017 1 199 18 18 LEU CD2 C 24.791 0.000 1 200 18 18 LEU CG C 26.428 0.022 1 201 18 18 LEU N N 121.001 0.025 1 202 19 19 PHE H H 7.401 0.002 1 203 19 19 PHE HA H 4.345 0.005 1 204 19 19 PHE HB2 H 2.423 0.002 2 205 19 19 PHE HB3 H 3.202 0.000 2 206 19 19 PHE HD1 H 7.320 0.006 1 207 19 19 PHE HD2 H 7.320 0.006 1 208 19 19 PHE HE1 H 7.207 0.000 1 209 19 19 PHE HE2 H 7.207 0.000 1 210 19 19 PHE HZ H 7.207 0.000 1 211 19 19 PHE C C 174.597 0.000 1 212 19 19 PHE CA C 58.473 0.005 1 213 19 19 PHE CB C 39.834 0.015 1 214 19 19 PHE N N 114.607 0.029 1 215 20 20 ASP H H 7.325 0.002 1 216 20 20 ASP HA H 4.981 0.004 1 217 20 20 ASP HB2 H 2.369 0.010 2 218 20 20 ASP HB3 H 2.861 0.001 2 219 20 20 ASP C C 177.041 0.000 1 220 20 20 ASP CA C 52.747 0.004 1 221 20 20 ASP CB C 40.059 0.063 1 222 20 20 ASP N N 122.335 0.037 1 223 21 21 LYS H H 8.091 0.001 1 224 21 21 LYS HA H 4.083 0.003 1 225 21 21 LYS HB2 H 1.845 0.004 2 226 21 21 LYS HB3 H 1.845 0.004 2 227 21 21 LYS HD2 H 1.696 0.000 2 228 21 21 LYS HD3 H 1.696 0.000 2 229 21 21 LYS HE2 H 3.039 0.000 2 230 21 21 LYS HE3 H 3.039 0.000 2 231 21 21 LYS HG2 H 1.474 0.000 2 232 21 21 LYS HG3 H 1.474 0.000 2 233 21 21 LYS C C 177.970 0.000 1 234 21 21 LYS CA C 58.494 0.010 1 235 21 21 LYS CB C 32.552 0.012 1 236 21 21 LYS CD C 28.721 0.000 1 237 21 21 LYS CE C 42.099 0.000 1 238 21 21 LYS CG C 24.645 0.000 1 239 21 21 LYS N N 123.543 0.014 1 240 22 22 ASP H H 8.736 0.002 1 241 22 22 ASP HA H 4.781 0.002 1 242 22 22 ASP HB2 H 2.639 0.001 2 243 22 22 ASP HB3 H 2.788 0.002 2 244 22 22 ASP C C 176.916 0.000 1 245 22 22 ASP CA C 54.595 0.009 1 246 22 22 ASP CB C 41.358 0.029 1 247 22 22 ASP N N 117.017 0.013 1 248 23 23 GLY H H 8.034 0.002 1 249 23 23 GLY HA2 H 3.852 0.001 2 250 23 23 GLY HA3 H 3.997 0.000 2 251 23 23 GLY C C 175.306 0.000 1 252 23 23 GLY CA C 46.887 0.007 1 253 23 23 GLY N N 110.151 0.023 1 254 24 24 ASP H H 8.786 0.002 1 255 24 24 ASP HA H 4.728 0.002 1 256 24 24 ASP HB2 H 2.599 0.004 2 257 24 24 ASP HB3 H 2.936 0.002 2 258 24 24 ASP C C 177.452 0.000 1 259 24 24 ASP CA C 53.912 0.012 1 260 24 24 ASP CB C 41.458 0.022 1 261 24 24 ASP N N 120.643 0.027 1 262 25 25 GLY H H 10.188 0.003 1 263 25 25 GLY HA2 H 3.898 0.002 2 264 25 25 GLY HA3 H 4.287 0.003 2 265 25 25 GLY C C 174.312 0.000 1 266 25 25 GLY CA C 46.048 0.023 1 267 25 25 GLY N N 111.827 0.012 1 268 26 26 THR H H 7.613 0.001 1 269 26 26 THR HA H 5.543 0.002 1 270 26 26 THR HB H 4.072 0.004 1 271 26 26 THR HG2 H 1.095 0.000 1 272 26 26 THR C C 172.981 0.000 1 273 26 26 THR CA C 60.019 0.023 1 274 26 26 THR CB C 73.269 0.022 1 275 26 26 THR CG2 C 21.800 0.000 1 276 26 26 THR N N 109.682 0.016 1 277 27 27 ILE H H 8.294 0.002 1 278 27 27 ILE HA H 4.788 0.002 1 279 27 27 ILE HB H 1.714 0.006 1 280 27 27 ILE HD1 H 0.330 0.000 1 281 27 27 ILE HG12 H 0.785 0.001 2 282 27 27 ILE HG13 H 1.085 0.003 2 283 27 27 ILE HG2 H -0.106 0.000 1 284 27 27 ILE C C 176.091 0.000 1 285 27 27 ILE CA C 59.425 0.072 1 286 27 27 ILE CB C 41.523 0.037 1 287 27 27 ILE CD1 C 13.856 0.011 1 288 27 27 ILE CG1 C 24.921 0.019 1 289 27 27 ILE CG2 C 16.359 0.000 1 290 27 27 ILE N N 110.364 0.016 1 291 28 28 THR H H 8.349 0.002 1 292 28 28 THR HA H 5.081 0.003 1 293 28 28 THR HB H 4.660 0.006 1 294 28 28 THR HG2 H 1.343 0.000 1 295 28 28 THR C C 176.924 0.000 1 296 28 28 THR CA C 60.697 0.028 1 297 28 28 THR CB C 70.713 0.028 1 298 28 28 THR CG2 C 22.160 0.000 1 299 28 28 THR N N 110.649 0.025 1 300 29 29 THR H H 8.322 0.002 1 301 29 29 THR HA H 3.759 0.004 1 302 29 29 THR HB H 4.256 0.004 1 303 29 29 THR HG2 H 1.174 0.000 1 304 29 29 THR C C 177.245 0.000 1 305 29 29 THR CA C 65.294 0.025 1 306 29 29 THR CB C 67.585 0.037 1 307 29 29 THR CG2 C 23.581 0.025 1 308 29 29 THR N N 112.432 0.023 1 309 30 30 LYS H H 7.659 0.001 1 310 30 30 LYS HA H 4.161 0.006 1 311 30 30 LYS HB2 H 1.866 0.000 2 312 30 30 LYS HB3 H 1.866 0.000 2 313 30 30 LYS HD2 H 1.714 0.000 2 314 30 30 LYS HD3 H 1.714 0.000 2 315 30 30 LYS HE2 H 3.037 0.000 2 316 30 30 LYS HE3 H 3.037 0.000 2 317 30 30 LYS HG2 H 1.514 0.000 2 318 30 30 LYS HG3 H 1.514 0.000 2 319 30 30 LYS C C 178.122 0.000 1 320 30 30 LYS CA C 58.473 0.008 1 321 30 30 LYS CB C 32.324 0.020 1 322 30 30 LYS CD C 29.081 0.000 1 323 30 30 LYS CE C 42.095 0.000 1 324 30 30 LYS CG C 25.003 0.000 1 325 30 30 LYS N N 118.805 0.015 1 326 31 31 GLU H H 7.536 0.002 1 327 31 31 GLU HA H 4.409 0.004 1 328 31 31 GLU HB2 H 1.813 0.002 2 329 31 31 GLU HB3 H 1.903 0.000 2 330 31 31 GLU HG2 H 2.179 0.000 2 331 31 31 GLU HG3 H 2.179 0.000 2 332 31 31 GLU C C 176.377 0.000 1 333 31 31 GLU CA C 56.228 0.030 1 334 31 31 GLU CB C 29.774 0.039 1 335 31 31 GLU CG C 36.700 0.000 1 336 31 31 GLU N N 117.375 0.019 1 337 32 32 LEU H H 7.390 0.002 1 338 32 32 LEU HA H 3.800 0.000 1 339 32 32 LEU HB2 H 1.417 0.005 2 340 32 32 LEU HB3 H 1.902 0.013 2 341 32 32 LEU HD1 H 0.938 0.001 2 342 32 32 LEU HD2 H 1.074 0.001 2 343 32 32 LEU HG H 1.551 0.000 1 344 32 32 LEU C C 178.257 0.000 1 345 32 32 LEU CA C 58.738 0.027 1 346 32 32 LEU CB C 41.930 0.034 1 347 32 32 LEU CD1 C 26.317 0.021 1 348 32 32 LEU CD2 C 23.465 0.008 1 349 32 32 LEU CG C 26.991 0.000 1 350 32 32 LEU N N 120.833 0.027 1 351 33 33 GLY H H 8.811 0.002 1 352 33 33 GLY HA2 H 3.504 0.002 2 353 33 33 GLY HA3 H 3.865 0.014 2 354 33 33 GLY C C 175.083 0.000 1 355 33 33 GLY CA C 48.225 0.030 1 356 33 33 GLY N N 105.354 0.036 1 357 34 34 THR H H 7.528 0.001 1 358 34 34 THR HA H 3.806 0.007 1 359 34 34 THR HB H 4.016 0.001 1 360 34 34 THR HG2 H 1.238 0.001 1 361 34 34 THR C C 177.340 0.000 1 362 34 34 THR CA C 66.202 0.037 1 363 34 34 THR CB C 68.280 0.053 1 364 34 34 THR CG2 C 23.428 0.017 1 365 34 34 THR N N 118.279 0.014 1 366 35 35 VAL H H 7.987 0.001 1 367 35 35 VAL HA H 3.374 0.003 1 368 35 35 VAL HB H 1.891 0.001 1 369 35 35 VAL HG1 H 0.535 0.001 2 370 35 35 VAL HG2 H 0.726 0.001 2 371 35 35 VAL C C 179.373 0.000 1 372 35 35 VAL CA C 66.477 0.048 1 373 35 35 VAL CB C 31.342 0.048 1 374 35 35 VAL CG1 C 22.650 0.026 1 375 35 35 VAL CG2 C 22.162 0.006 1 376 35 35 VAL N N 122.648 0.030 1 377 36 36 MET H H 8.474 0.002 1 378 36 36 MET HA H 4.015 0.004 1 379 36 36 MET HB2 H 1.875 0.000 2 380 36 36 MET HB3 H 2.104 0.001 2 381 36 36 MET HE H 1.862 0.000 1 382 36 36 MET HG2 H 2.534 0.001 2 383 36 36 MET HG3 H 2.787 0.000 2 384 36 36 MET C C 179.084 0.000 1 385 36 36 MET CA C 60.371 0.014 1 386 36 36 MET CB C 31.872 0.016 1 387 36 36 MET CE C 17.363 0.000 1 388 36 36 MET CG C 33.349 0.042 1 389 36 36 MET N N 118.416 0.024 1 390 37 37 ARG H H 8.525 0.001 1 391 37 37 ARG HA H 4.720 0.001 1 392 37 37 ARG HB2 H 1.919 0.000 2 393 37 37 ARG HB3 H 1.919 0.000 2 394 37 37 ARG HD2 H 3.114 0.002 2 395 37 37 ARG HD3 H 3.306 0.002 2 396 37 37 ARG HE H 7.455 0.001 1 397 37 37 ARG HG2 H 1.913 0.000 2 398 37 37 ARG HG3 H 1.913 0.000 2 399 37 37 ARG C C 181.428 0.000 1 400 37 37 ARG CA C 59.378 0.037 1 401 37 37 ARG CB C 30.163 0.073 1 402 37 37 ARG CD C 43.661 0.008 1 403 37 37 ARG CG C 29.419 0.082 1 404 37 37 ARG CZ C 159.588 0.000 1 405 37 37 ARG N N 119.410 0.011 1 406 37 37 ARG NE N 84.796 0.031 1 407 38 38 SER H H 8.139 0.001 1 408 38 38 SER HA H 4.466 0.000 1 409 38 38 SER HB2 H 4.184 0.000 2 410 38 38 SER HB3 H 4.260 0.001 2 411 38 38 SER C C 175.067 0.000 1 412 38 38 SER CA C 61.794 0.088 1 413 38 38 SER CB C 62.857 0.050 1 414 38 38 SER N N 118.869 0.036 1 415 39 39 LEU H H 7.356 0.001 1 416 39 39 LEU HA H 4.629 0.004 1 417 39 39 LEU HB2 H 1.905 0.001 2 418 39 39 LEU HB3 H 1.905 0.001 2 419 39 39 LEU HD1 H 1.038 0.001 2 420 39 39 LEU HD2 H 1.163 0.000 2 421 39 39 LEU HG H 1.872 0.003 1 422 39 39 LEU C C 177.345 0.000 1 423 39 39 LEU CA C 54.561 0.007 1 424 39 39 LEU CB C 42.919 0.030 1 425 39 39 LEU CD1 C 26.560 0.001 1 426 39 39 LEU CD2 C 23.343 0.001 1 427 39 39 LEU CG C 26.553 0.007 1 428 39 39 LEU N N 120.987 0.022 1 429 40 40 GLY H H 7.943 0.002 1 430 40 40 GLY HA2 H 3.839 0.003 2 431 40 40 GLY HA3 H 4.281 0.005 2 432 40 40 GLY C C 174.446 0.000 1 433 40 40 GLY CA C 45.871 0.023 1 434 40 40 GLY N N 107.079 0.039 1 435 41 41 GLN H H 7.801 0.001 1 436 41 41 GLN HA H 4.453 0.008 1 437 41 41 GLN HB2 H 1.587 0.003 2 438 41 41 GLN HB3 H 2.094 0.004 2 439 41 41 GLN HE21 H 7.516 0.002 2 440 41 41 GLN HE22 H 6.707 0.000 2 441 41 41 GLN HG2 H 2.109 0.000 2 442 41 41 GLN HG3 H 2.221 0.002 2 443 41 41 GLN C C 174.131 0.000 1 444 41 41 GLN CA C 54.081 0.020 1 445 41 41 GLN CB C 30.156 0.005 1 446 41 41 GLN CG C 33.252 0.007 1 447 41 41 GLN N N 117.612 0.015 1 448 41 41 GLN NE2 N 111.370 0.008 1 449 42 42 ASN H H 8.681 0.002 1 450 42 42 ASN HA H 5.197 0.003 1 451 42 42 ASN HB2 H 2.529 0.000 2 452 42 42 ASN HB3 H 2.779 0.000 2 453 42 42 ASN HD21 H 7.547 0.003 2 454 42 42 ASN HD22 H 6.750 0.000 2 455 42 42 ASN CA C 51.148 0.013 1 456 42 42 ASN CB C 39.349 0.000 1 457 42 42 ASN N N 116.462 0.015 1 458 42 42 ASN ND2 N 112.029 0.003 1 459 43 43 PRO HA H 4.749 0.000 1 460 43 43 PRO HB2 H 1.986 0.000 2 461 43 43 PRO HB3 H 2.078 0.000 2 462 43 43 PRO HD2 H 3.312 0.001 2 463 43 43 PRO HD3 H 3.694 0.003 2 464 43 43 PRO HG2 H 1.988 0.000 2 465 43 43 PRO HG3 H 1.988 0.000 2 466 43 43 PRO C C 177.678 0.000 1 467 43 43 PRO CA C 62.393 0.035 1 468 43 43 PRO CB C 31.943 0.017 1 469 43 43 PRO CD C 50.087 0.017 1 470 43 43 PRO CG C 27.401 0.000 1 471 44 44 THR H H 8.771 0.002 1 472 44 44 THR HA H 4.439 0.002 1 473 44 44 THR HB H 4.747 0.006 1 474 44 44 THR HG2 H 1.383 0.000 1 475 44 44 THR C C 175.191 0.000 1 476 44 44 THR CA C 60.779 0.061 1 477 44 44 THR CB C 71.014 0.032 1 478 44 44 THR CG2 C 22.020 0.000 1 479 44 44 THR N N 113.054 0.027 1 480 45 45 GLU H H 8.876 0.001 1 481 45 45 GLU HA H 4.018 0.005 1 482 45 45 GLU HB2 H 2.054 0.012 2 483 45 45 GLU HB3 H 2.054 0.012 2 484 45 45 GLU HG2 H 2.371 0.000 2 485 45 45 GLU HG3 H 2.371 0.000 2 486 45 45 GLU C C 179.276 0.000 1 487 45 45 GLU CA C 60.139 0.037 1 488 45 45 GLU CB C 29.153 0.013 1 489 45 45 GLU CG C 36.525 0.000 1 490 45 45 GLU N N 120.397 0.024 1 491 46 46 ALA H H 8.343 0.001 1 492 46 46 ALA HA H 4.121 0.003 1 493 46 46 ALA HB H 1.405 0.005 1 494 46 46 ALA C C 180.274 0.000 1 495 46 46 ALA CA C 55.108 0.049 1 496 46 46 ALA CB C 18.360 0.031 1 497 46 46 ALA N N 120.902 0.031 1 498 47 47 GLU H H 7.756 0.001 1 499 47 47 GLU HA H 4.050 0.007 1 500 47 47 GLU HB2 H 1.899 0.001 2 501 47 47 GLU HB3 H 2.285 0.001 2 502 47 47 GLU HG2 H 2.367 0.000 2 503 47 47 GLU HG3 H 2.367 0.000 2 504 47 47 GLU C C 179.988 0.000 1 505 47 47 GLU CA C 58.974 0.038 1 506 47 47 GLU CB C 30.059 0.022 1 507 47 47 GLU CG C 37.114 0.000 1 508 47 47 GLU N N 118.813 0.020 1 509 48 48 LEU H H 8.354 0.002 1 510 48 48 LEU HA H 4.062 0.006 1 511 48 48 LEU HB2 H 1.577 0.011 2 512 48 48 LEU HB3 H 1.820 0.008 2 513 48 48 LEU HD1 H 0.844 0.001 2 514 48 48 LEU HD2 H 0.844 0.001 2 515 48 48 LEU HG H 1.641 0.000 1 516 48 48 LEU C C 178.473 0.000 1 517 48 48 LEU CA C 58.156 0.006 1 518 48 48 LEU CB C 41.931 0.019 1 519 48 48 LEU CD1 C 24.273 0.015 1 520 48 48 LEU CD2 C 25.166 0.044 1 521 48 48 LEU CG C 27.265 0.000 1 522 48 48 LEU N N 120.002 0.024 1 523 49 49 GLN H H 8.084 0.001 1 524 49 49 GLN HA H 3.915 0.003 1 525 49 49 GLN HB2 H 2.162 0.005 2 526 49 49 GLN HB3 H 2.162 0.005 2 527 49 49 GLN HG2 H 2.449 0.001 2 528 49 49 GLN HG3 H 2.449 0.001 2 529 49 49 GLN C C 178.334 0.000 1 530 49 49 GLN CA C 58.765 0.056 1 531 49 49 GLN CB C 28.180 0.032 1 532 49 49 GLN CG C 33.998 0.006 1 533 49 49 GLN N N 117.432 0.025 1 534 50 50 ASP H H 7.860 0.001 1 535 50 50 ASP HA H 4.454 0.004 1 536 50 50 ASP HB2 H 2.700 0.001 2 537 50 50 ASP HB3 H 2.804 0.002 2 538 50 50 ASP C C 179.091 0.000 1 539 50 50 ASP CA C 57.560 0.019 1 540 50 50 ASP CB C 40.536 0.013 1 541 50 50 ASP N N 118.838 0.010 1 542 51 51 MET H H 7.981 0.002 1 543 51 51 MET HA H 4.064 0.007 1 544 51 51 MET HB2 H 2.057 0.005 2 545 51 51 MET HB3 H 2.328 0.000 2 546 51 51 MET HE H 1.993 0.000 1 547 51 51 MET HG2 H 2.588 0.001 2 548 51 51 MET HG3 H 2.851 0.001 2 549 51 51 MET C C 178.526 0.000 1 550 51 51 MET CA C 59.861 0.024 1 551 51 51 MET CB C 34.145 0.025 1 552 51 51 MET CE C 17.392 0.000 1 553 51 51 MET CG C 32.936 0.002 1 554 51 51 MET N N 118.969 0.012 1 555 52 52 ILE H H 8.345 0.002 1 556 52 52 ILE HA H 3.506 0.004 1 557 52 52 ILE HB H 1.869 0.002 1 558 52 52 ILE HD1 H 0.834 0.002 1 559 52 52 ILE HG12 H 1.807 0.000 2 560 52 52 ILE HG13 H 0.835 0.000 2 561 52 52 ILE HG2 H 0.938 0.001 1 562 52 52 ILE C C 177.667 0.000 1 563 52 52 ILE CA C 65.512 0.010 1 564 52 52 ILE CB C 38.163 0.039 1 565 52 52 ILE CD1 C 13.825 0.010 1 566 52 52 ILE CG1 C 30.698 0.000 1 567 52 52 ILE CG2 C 17.691 0.006 1 568 52 52 ILE N N 118.971 0.038 1 569 53 53 ASN H H 8.286 0.001 1 570 53 53 ASN HA H 4.419 0.005 1 571 53 53 ASN HB2 H 2.855 0.001 2 572 53 53 ASN HB3 H 2.965 0.000 2 573 53 53 ASN HD21 H 7.796 0.002 2 574 53 53 ASN HD22 H 6.922 0.001 2 575 53 53 ASN C C 176.981 0.000 1 576 53 53 ASN CA C 55.452 0.015 1 577 53 53 ASN CB C 38.255 0.012 1 578 53 53 ASN N N 117.294 0.019 1 579 53 53 ASN ND2 N 111.600 0.000 1 580 54 54 GLU H H 7.607 0.001 1 581 54 54 GLU HA H 4.165 0.005 1 582 54 54 GLU HB2 H 2.141 0.001 2 583 54 54 GLU HB3 H 2.141 0.001 2 584 54 54 GLU HG2 H 2.201 0.001 2 585 54 54 GLU HG3 H 2.416 0.000 2 586 54 54 GLU C C 177.972 0.000 1 587 54 54 GLU CA C 58.535 0.010 1 588 54 54 GLU CB C 30.266 0.073 1 589 54 54 GLU CG C 36.143 0.005 1 590 54 54 GLU N N 117.239 0.016 1 591 55 55 VAL H H 7.643 0.001 1 592 55 55 VAL HA H 4.372 0.002 1 593 55 55 VAL HB H 2.288 0.000 1 594 55 55 VAL HG1 H 1.012 0.000 2 595 55 55 VAL HG2 H 0.992 0.003 2 596 55 55 VAL C C 175.865 0.000 1 597 55 55 VAL CA C 62.397 0.039 1 598 55 55 VAL CB C 32.941 0.045 1 599 55 55 VAL CG1 C 20.536 0.011 1 600 55 55 VAL CG2 C 21.758 0.008 1 601 55 55 VAL N N 112.794 0.029 1 602 56 56 ASP H H 8.467 0.002 1 603 56 56 ASP HA H 5.025 0.004 1 604 56 56 ASP HB2 H 2.439 0.002 2 605 56 56 ASP HB3 H 2.839 0.003 2 606 56 56 ASP C C 177.002 0.000 1 607 56 56 ASP CA C 53.606 0.054 1 608 56 56 ASP CB C 40.741 0.025 1 609 56 56 ASP N N 121.839 0.040 1 610 57 57 ALA H H 8.165 0.001 1 611 57 57 ALA HA H 4.194 0.005 1 612 57 57 ALA HB H 1.454 0.007 1 613 57 57 ALA C C 179.131 0.000 1 614 57 57 ALA CA C 54.781 0.018 1 615 57 57 ALA CB C 19.033 0.012 1 616 57 57 ALA N N 124.889 0.018 1 617 58 58 ASP H H 8.445 0.001 1 618 58 58 ASP HA H 4.676 0.002 1 619 58 58 ASP HB2 H 2.676 0.000 2 620 58 58 ASP HB3 H 2.793 0.000 2 621 58 58 ASP C C 177.153 0.000 1 622 58 58 ASP CA C 54.616 0.021 1 623 58 58 ASP CB C 41.194 0.031 1 624 58 58 ASP N N 114.833 0.027 1 625 59 59 GLY H H 7.932 0.001 1 626 59 59 GLY HA2 H 3.913 0.005 2 627 59 59 GLY HA3 H 3.913 0.005 2 628 59 59 GLY C C 175.592 0.000 1 629 59 59 GLY CA C 46.873 0.006 1 630 59 59 GLY N N 108.838 0.013 1 631 60 60 ASN H H 9.264 0.002 1 632 60 60 ASN HA H 4.731 0.002 1 633 60 60 ASN HB2 H 2.912 0.003 2 634 60 60 ASN HB3 H 2.912 0.003 2 635 60 60 ASN HD21 H 7.076 0.001 2 636 60 60 ASN HD22 H 7.788 0.003 2 637 60 60 ASN C C 177.189 0.000 1 638 60 60 ASN CA C 54.378 0.019 1 639 60 60 ASN CB C 39.409 0.049 1 640 60 60 ASN N N 119.648 0.013 1 641 60 60 ASN ND2 N 114.077 0.000 1 642 61 61 GLY H H 9.960 0.003 1 643 61 61 GLY HA2 H 3.918 0.006 2 644 61 61 GLY HA3 H 4.173 0.001 2 645 61 61 GLY C C 174.718 0.000 1 646 61 61 GLY CA C 45.987 0.026 1 647 61 61 GLY N N 109.948 0.016 1 648 62 62 THR H H 7.589 0.001 1 649 62 62 THR HA H 5.213 0.001 1 650 62 62 THR HB H 4.124 0.002 1 651 62 62 THR HG2 H 1.097 0.000 1 652 62 62 THR C C 172.955 0.000 1 653 62 62 THR CA C 59.874 0.021 1 654 62 62 THR CB C 72.665 0.053 1 655 62 62 THR CG2 C 21.818 0.038 1 656 62 62 THR N N 110.741 0.016 1 657 63 63 ILE H H 8.927 0.002 1 658 63 63 ILE HA H 4.623 0.001 1 659 63 63 ILE HB H 1.806 0.002 1 660 63 63 ILE HD1 H 0.885 0.000 1 661 63 63 ILE HG12 H 1.087 0.000 2 662 63 63 ILE HG13 H 1.558 0.001 2 663 63 63 ILE HG2 H 1.106 0.000 1 664 63 63 ILE C C 174.568 0.000 1 665 63 63 ILE CA C 60.046 0.030 1 666 63 63 ILE CB C 41.773 0.035 1 667 63 63 ILE CD1 C 15.527 0.009 1 668 63 63 ILE CG1 C 27.219 0.021 1 669 63 63 ILE CG2 C 17.816 0.014 1 670 63 63 ILE N N 118.801 0.010 1 671 64 64 ASP H H 8.440 0.003 1 672 64 64 ASP HA H 5.591 0.004 1 673 64 64 ASP HB2 H 2.785 0.004 2 674 64 64 ASP HB3 H 3.221 0.000 2 675 64 64 ASP C C 176.263 0.000 1 676 64 64 ASP CA C 52.031 0.003 1 677 64 64 ASP CB C 42.163 0.041 1 678 64 64 ASP N N 124.115 0.016 1 679 65 65 PHE H H 8.674 0.001 1 680 65 65 PHE HA H 3.835 0.000 1 681 65 65 PHE HB2 H 2.449 0.000 2 682 65 65 PHE HB3 H 2.964 0.000 2 683 65 65 PHE HD1 H 6.480 0.007 1 684 65 65 PHE HD2 H 6.480 0.007 1 685 65 65 PHE HE1 H 7.146 0.002 1 686 65 65 PHE HE2 H 7.146 0.002 1 687 65 65 PHE HZ H 7.403 0.003 1 688 65 65 PHE CA C 63.012 0.000 1 689 65 65 PHE CB C 36.552 0.025 1 690 65 65 PHE N N 118.559 0.017 1 691 66 66 PRO HA H 3.906 0.000 1 692 66 66 PRO HB2 H 1.923 0.000 2 693 66 66 PRO HB3 H 2.255 0.000 2 694 66 66 PRO HD2 H 3.838 0.000 2 695 66 66 PRO HD3 H 3.893 0.006 2 696 66 66 PRO HG2 H 1.930 0.006 2 697 66 66 PRO HG3 H 2.228 0.000 2 698 66 66 PRO C C 180.016 0.000 1 699 66 66 PRO CA C 66.669 0.032 1 700 66 66 PRO CB C 30.714 0.112 1 701 66 66 PRO CD C 49.557 0.003 1 702 66 66 PRO CG C 28.604 0.000 1 703 67 67 GLU H H 8.103 0.002 1 704 67 67 GLU HA H 4.072 0.000 1 705 67 67 GLU HB2 H 1.976 0.000 2 706 67 67 GLU HB3 H 2.519 0.000 2 707 67 67 GLU HG2 H 2.458 0.000 2 708 67 67 GLU HG3 H 2.688 0.002 2 709 67 67 GLU C C 179.088 0.000 1 710 67 67 GLU CA C 59.229 0.049 1 711 67 67 GLU CB C 29.461 0.060 1 712 67 67 GLU CG C 35.936 0.004 1 713 67 67 GLU N N 117.492 0.038 1 714 68 68 PHE H H 8.500 0.002 1 715 68 68 PHE HA H 4.095 0.010 1 716 68 68 PHE HB2 H 3.135 0.002 2 717 68 68 PHE HB3 H 3.215 0.001 2 718 68 68 PHE HD1 H 6.938 0.003 1 719 68 68 PHE HD2 H 6.938 0.003 1 720 68 68 PHE HE1 H 7.089 0.006 1 721 68 68 PHE HE2 H 7.089 0.006 1 722 68 68 PHE HZ H 7.016 0.000 1 723 68 68 PHE C C 176.901 0.000 1 724 68 68 PHE CA C 61.583 0.044 1 725 68 68 PHE CB C 39.589 0.027 1 726 68 68 PHE N N 122.375 0.055 1 727 69 69 LEU H H 8.486 0.002 1 728 69 69 LEU HA H 3.354 0.002 1 729 69 69 LEU HB2 H 1.209 0.003 2 730 69 69 LEU HB3 H 1.465 0.001 2 731 69 69 LEU HD1 H 0.744 0.002 2 732 69 69 LEU HD2 H 0.700 0.001 2 733 69 69 LEU HG H 0.972 0.005 1 734 69 69 LEU C C 179.478 0.000 1 735 69 69 LEU CA C 57.914 0.006 1 736 69 69 LEU CB C 41.153 0.051 1 737 69 69 LEU CD1 C 24.078 0.001 1 738 69 69 LEU CD2 C 25.695 0.015 1 739 69 69 LEU CG C 25.688 0.023 1 740 69 69 LEU N N 118.518 0.016 1 741 70 70 THR H H 7.745 0.001 1 742 70 70 THR HA H 3.808 0.002 1 743 70 70 THR HB H 4.302 0.005 1 744 70 70 THR HG2 H 1.218 0.000 1 745 70 70 THR C C 176.744 0.000 1 746 70 70 THR CA C 66.664 0.045 1 747 70 70 THR CB C 68.556 0.075 1 748 70 70 THR CG2 C 21.951 0.000 1 749 70 70 THR N N 115.405 0.017 1 750 71 71 MET H H 7.765 0.001 1 751 71 71 MET HA H 3.959 0.000 1 752 71 71 MET HB2 H 1.962 0.000 2 753 71 71 MET HB3 H 2.031 0.000 2 754 71 71 MET HE H 1.955 0.000 1 755 71 71 MET HG2 H 2.405 0.000 2 756 71 71 MET HG3 H 2.642 0.000 2 757 71 71 MET C C 178.711 0.000 1 758 71 71 MET CA C 59.070 0.035 1 759 71 71 MET CB C 32.600 0.000 1 760 71 71 MET CE C 18.266 0.000 1 761 71 71 MET CG C 32.447 0.023 1 762 71 71 MET N N 121.286 0.038 1 763 72 72 MET H H 8.053 0.001 1 764 72 72 MET HA H 4.044 0.003 1 765 72 72 MET HB2 H 1.339 0.000 2 766 72 72 MET HB3 H 1.501 0.000 2 767 72 72 MET HE H 1.448 0.000 1 768 72 72 MET HG2 H 1.042 0.001 2 769 72 72 MET HG3 H 1.189 0.004 2 770 72 72 MET C C 178.714 0.000 1 771 72 72 MET CA C 56.023 0.003 1 772 72 72 MET CB C 30.967 0.031 1 773 72 72 MET CE C 17.110 0.000 1 774 72 72 MET CG C 31.939 0.011 1 775 72 72 MET N N 117.421 0.025 1 776 73 73 ALA H H 8.337 0.003 1 777 73 73 ALA HA H 4.016 0.002 1 778 73 73 ALA HB H 1.430 0.007 1 779 73 73 ALA C C 179.957 0.000 1 780 73 73 ALA CA C 55.030 0.033 1 781 73 73 ALA CB C 18.063 0.018 1 782 73 73 ALA N N 121.021 0.023 1 783 74 74 ARG H H 7.493 0.001 1 784 74 74 ARG HA H 4.063 0.010 1 785 74 74 ARG HB2 H 1.936 0.004 2 786 74 74 ARG HB3 H 1.936 0.004 2 787 74 74 ARG HD2 H 3.179 0.001 2 788 74 74 ARG HD3 H 3.179 0.001 2 789 74 74 ARG HE H 7.316 0.000 1 790 74 74 ARG HG2 H 1.649 0.000 2 791 74 74 ARG HG3 H 1.796 0.000 2 792 74 74 ARG C C 178.344 0.000 1 793 74 74 ARG CA C 58.807 0.035 1 794 74 74 ARG CB C 30.329 0.018 1 795 74 74 ARG CD C 43.758 0.025 1 796 74 74 ARG CG C 27.382 0.034 1 797 74 74 ARG CZ C 159.895 0.000 1 798 74 74 ARG N N 116.524 0.009 1 799 74 74 ARG NE N 84.231 0.010 1 800 75 75 LYS H H 7.733 0.002 1 801 75 75 LYS HA H 4.237 0.006 1 802 75 75 LYS HB2 H 1.782 0.001 2 803 75 75 LYS HB3 H 1.934 0.007 2 804 75 75 LYS HD2 H 1.631 0.022 2 805 75 75 LYS HD3 H 1.710 0.000 2 806 75 75 LYS HE2 H 2.834 0.000 2 807 75 75 LYS HE3 H 2.972 0.000 2 808 75 75 LYS HG2 H 1.450 0.002 2 809 75 75 LYS HG3 H 1.450 0.002 2 810 75 75 LYS C C 178.032 0.000 1 811 75 75 LYS CA C 56.770 0.030 1 812 75 75 LYS CB C 31.792 0.021 1 813 75 75 LYS CD C 27.988 0.096 1 814 75 75 LYS CE C 41.845 0.000 1 815 75 75 LYS CG C 24.405 0.023 1 816 75 75 LYS N N 118.078 0.047 1 817 76 76 MET H H 7.980 0.002 1 818 76 76 MET HA H 4.320 0.009 1 819 76 76 MET HB2 H 2.050 0.000 2 820 76 76 MET HB3 H 2.227 0.000 2 821 76 76 MET HE H 2.120 0.000 1 822 76 76 MET HG2 H 2.633 0.001 2 823 76 76 MET HG3 H 2.672 0.003 2 824 76 76 MET C C 176.787 0.000 1 825 76 76 MET CA C 56.689 0.013 1 826 76 76 MET CB C 32.966 0.117 1 827 76 76 MET CE C 17.080 0.000 1 828 76 76 MET CG C 32.345 0.009 1 829 76 76 MET N N 117.522 0.017 1 830 77 77 LYS H H 7.718 0.002 1 831 77 77 LYS HA H 4.307 0.010 1 832 77 77 LYS HB2 H 1.890 0.007 2 833 77 77 LYS HB3 H 1.890 0.007 2 834 77 77 LYS HD2 H 1.714 0.001 2 835 77 77 LYS HD3 H 1.714 0.001 2 836 77 77 LYS HE2 H 3.031 0.000 2 837 77 77 LYS HE3 H 3.031 0.000 2 838 77 77 LYS HG2 H 1.506 0.000 2 839 77 77 LYS HG3 H 1.506 0.000 2 840 77 77 LYS C C 176.720 0.000 1 841 77 77 LYS CA C 57.034 0.063 1 842 77 77 LYS CB C 33.004 0.018 1 843 77 77 LYS CD C 29.191 0.021 1 844 77 77 LYS CE C 42.181 0.000 1 845 77 77 LYS CG C 24.538 0.006 1 846 77 77 LYS N N 120.311 0.021 1 847 78 78 ASP H H 8.256 0.001 1 848 78 78 ASP HA H 4.696 0.004 1 849 78 78 ASP HB2 H 2.695 0.000 2 850 78 78 ASP HB3 H 2.802 0.000 2 851 78 78 ASP C C 176.550 0.000 1 852 78 78 ASP CA C 54.810 0.013 1 853 78 78 ASP CB C 41.062 0.038 1 854 78 78 ASP N N 121.381 0.037 1 855 79 79 THR H H 8.013 0.001 1 856 79 79 THR HA H 4.335 0.001 1 857 79 79 THR HB H 4.242 0.001 1 858 79 79 THR HG2 H 1.228 0.000 1 859 79 79 THR C C 174.307 0.000 1 860 79 79 THR CA C 62.326 0.010 1 861 79 79 THR CB C 70.055 0.047 1 862 79 79 THR CG2 C 21.615 0.002 1 863 79 79 THR N N 114.213 0.030 1 864 80 80 ASP H H 8.228 0.002 1 865 80 80 ASP HA H 4.762 0.004 1 866 80 80 ASP HB2 H 2.643 0.002 2 867 80 80 ASP HB3 H 2.643 0.002 2 868 80 80 ASP C C 176.156 0.000 1 869 80 80 ASP CA C 54.744 0.029 1 870 80 80 ASP CB C 41.899 0.031 1 871 80 80 ASP N N 122.459 0.028 1 872 81 81 SER H H 8.677 0.002 1 873 81 81 SER HA H 4.480 0.007 1 874 81 81 SER HB2 H 4.009 0.008 2 875 81 81 SER HB3 H 4.203 0.000 2 876 81 81 SER C C 175.177 0.000 1 877 81 81 SER CA C 58.768 0.005 1 878 81 81 SER CB C 64.575 0.034 1 879 81 81 SER N N 117.491 0.019 1 880 82 82 GLU H H 8.793 0.002 1 881 82 82 GLU HA H 3.866 0.009 1 882 82 82 GLU HB2 H 2.056 0.002 2 883 82 82 GLU HB3 H 2.187 0.001 2 884 82 82 GLU HG2 H 2.241 0.000 2 885 82 82 GLU HG3 H 2.241 0.000 2 886 82 82 GLU C C 177.981 0.000 1 887 82 82 GLU CA C 60.328 0.015 1 888 82 82 GLU CB C 29.739 0.049 1 889 82 82 GLU CG C 36.402 0.000 1 890 82 82 GLU N N 121.701 0.039 1 891 83 83 GLU H H 8.367 0.002 1 892 83 83 GLU HA H 4.111 0.003 1 893 83 83 GLU HB2 H 2.067 0.001 2 894 83 83 GLU HB3 H 2.067 0.001 2 895 83 83 GLU HG2 H 2.386 0.000 2 896 83 83 GLU HG3 H 2.386 0.000 2 897 83 83 GLU C C 178.622 0.000 1 898 83 83 GLU CA C 59.493 0.031 1 899 83 83 GLU CB C 29.277 0.036 1 900 83 83 GLU CG C 35.926 0.000 1 901 83 83 GLU N N 117.905 0.014 1 902 84 84 GLU H H 7.903 0.002 1 903 84 84 GLU HA H 4.048 0.000 1 904 84 84 GLU HB2 H 2.083 0.004 2 905 84 84 GLU HB3 H 2.247 0.000 2 906 84 84 GLU HG2 H 2.346 0.000 2 907 84 84 GLU HG3 H 2.346 0.000 2 908 84 84 GLU C C 179.727 0.000 1 909 84 84 GLU CA C 59.478 0.037 1 910 84 84 GLU CB C 29.680 0.050 1 911 84 84 GLU CG C 37.119 0.000 1 912 84 84 GLU N N 118.947 0.029 1 913 85 85 ILE H H 8.117 0.002 1 914 85 85 ILE HA H 3.676 0.003 1 915 85 85 ILE HB H 1.921 0.005 1 916 85 85 ILE HD1 H 0.790 0.000 1 917 85 85 ILE HG12 H 0.784 0.000 2 918 85 85 ILE HG13 H 1.885 0.000 2 919 85 85 ILE HG2 H 1.075 0.001 1 920 85 85 ILE C C 177.809 0.000 1 921 85 85 ILE CA C 65.123 0.020 1 922 85 85 ILE CB C 38.053 0.038 1 923 85 85 ILE CD1 C 14.827 0.007 1 924 85 85 ILE CG1 C 29.116 0.000 1 925 85 85 ILE CG2 C 19.908 0.000 1 926 85 85 ILE N N 119.916 0.023 1 927 86 86 ARG H H 8.462 0.002 1 928 86 86 ARG HA H 4.002 0.010 1 929 86 86 ARG HB2 H 2.079 0.012 2 930 86 86 ARG HB3 H 2.079 0.012 2 931 86 86 ARG HD2 H 3.352 0.000 2 932 86 86 ARG HD3 H 3.411 0.000 2 933 86 86 ARG HE H 8.826 0.003 1 934 86 86 ARG HG2 H 1.662 0.000 2 935 86 86 ARG HG3 H 1.870 0.000 2 936 86 86 ARG C C 178.506 0.000 1 937 86 86 ARG CA C 61.655 0.035 1 938 86 86 ARG CB C 30.513 0.024 1 939 86 86 ARG CD C 43.395 0.021 1 940 86 86 ARG CG C 29.645 0.042 1 941 86 86 ARG CZ C 160.282 0.000 1 942 86 86 ARG N N 120.119 0.036 1 943 86 86 ARG NE N 85.468 0.019 1 944 87 87 GLU H H 8.450 0.002 1 945 87 87 GLU HA H 3.969 0.002 1 946 87 87 GLU HB2 H 2.090 0.004 2 947 87 87 GLU HB3 H 2.090 0.004 2 948 87 87 GLU HG2 H 2.419 0.000 2 949 87 87 GLU HG3 H 2.419 0.000 2 950 87 87 GLU C C 178.353 0.000 1 951 87 87 GLU CA C 59.075 0.027 1 952 87 87 GLU CB C 29.379 0.061 1 953 87 87 GLU CG C 36.322 0.000 1 954 87 87 GLU N N 116.463 0.018 1 955 88 88 ALA H H 7.634 0.001 1 956 88 88 ALA HA H 4.102 0.010 1 957 88 88 ALA HB H 1.599 0.009 1 958 88 88 ALA C C 178.967 0.000 1 959 88 88 ALA CA C 55.036 0.040 1 960 88 88 ALA CB C 18.412 0.020 1 961 88 88 ALA N N 121.745 0.039 1 962 89 89 PHE H H 7.747 0.001 1 963 89 89 PHE HA H 3.907 0.004 1 964 89 89 PHE HB2 H 1.643 0.000 2 965 89 89 PHE HB3 H 2.604 0.009 2 966 89 89 PHE HD1 H 7.100 0.005 1 967 89 89 PHE HD2 H 7.100 0.005 1 968 89 89 PHE HE1 H 7.021 0.005 1 969 89 89 PHE HE2 H 7.021 0.005 1 970 89 89 PHE C C 178.901 0.000 1 971 89 89 PHE CA C 63.162 0.019 1 972 89 89 PHE CB C 39.960 0.034 1 973 89 89 PHE N N 113.928 0.033 1 974 90 90 ARG H H 8.000 0.001 1 975 90 90 ARG HA H 3.897 0.004 1 976 90 90 ARG HB2 H 1.980 0.003 2 977 90 90 ARG HB3 H 1.980 0.003 2 978 90 90 ARG HD2 H 3.280 0.001 2 979 90 90 ARG HD3 H 3.280 0.001 2 980 90 90 ARG HE H 7.471 0.002 1 981 90 90 ARG HG2 H 1.933 0.000 2 982 90 90 ARG HG3 H 2.023 0.000 2 983 90 90 ARG C C 179.085 0.000 1 984 90 90 ARG CA C 59.662 0.058 1 985 90 90 ARG CB C 30.035 0.017 1 986 90 90 ARG CD C 43.861 0.012 1 987 90 90 ARG CG C 28.331 0.039 1 988 90 90 ARG CZ C 159.642 0.000 1 989 90 90 ARG N N 117.053 0.035 1 990 90 90 ARG NE N 84.727 0.021 1 991 91 91 VAL H H 7.102 0.001 1 992 91 91 VAL HA H 3.449 0.003 1 993 91 91 VAL HB H 1.786 0.004 1 994 91 91 VAL HG1 H 0.835 0.001 2 995 91 91 VAL HG2 H 0.177 0.001 2 996 91 91 VAL C C 176.907 0.000 1 997 91 91 VAL CA C 65.753 0.018 1 998 91 91 VAL CB C 31.325 0.043 1 999 91 91 VAL CG1 C 23.073 0.006 1 1000 91 91 VAL CG2 C 20.536 0.013 1 1001 91 91 VAL N N 118.643 0.012 1 1002 92 92 PHE H H 7.247 0.001 1 1003 92 92 PHE HA H 4.544 0.013 1 1004 92 92 PHE HB2 H 2.760 0.000 2 1005 92 92 PHE HB3 H 3.497 0.000 2 1006 92 92 PHE HD1 H 7.231 0.000 1 1007 92 92 PHE HD2 H 7.231 0.000 1 1008 92 92 PHE HE1 H 6.883 0.003 1 1009 92 92 PHE HE2 H 6.883 0.003 1 1010 92 92 PHE HZ H 7.326 0.000 1 1011 92 92 PHE C C 174.588 0.000 1 1012 92 92 PHE CA C 58.508 0.042 1 1013 92 92 PHE CB C 39.396 0.026 1 1014 92 92 PHE N N 115.979 0.025 1 1015 93 93 ASP H H 7.571 0.001 1 1016 93 93 ASP HA H 4.981 0.006 1 1017 93 93 ASP HB2 H 2.610 0.000 2 1018 93 93 ASP HB3 H 3.283 0.000 2 1019 93 93 ASP C C 176.328 0.000 1 1020 93 93 ASP CA C 52.404 0.006 1 1021 93 93 ASP CB C 40.409 0.037 1 1022 93 93 ASP N N 120.427 0.040 1 1023 94 94 LYS H H 8.366 0.002 1 1024 94 94 LYS HA H 4.140 0.003 1 1025 94 94 LYS HB2 H 1.934 0.005 2 1026 94 94 LYS HB3 H 1.934 0.005 2 1027 94 94 LYS HD2 H 1.771 0.000 2 1028 94 94 LYS HD3 H 1.771 0.000 2 1029 94 94 LYS HE2 H 3.129 0.000 2 1030 94 94 LYS HE3 H 3.129 0.000 2 1031 94 94 LYS HG2 H 1.586 0.000 2 1032 94 94 LYS HG3 H 1.635 0.001 2 1033 94 94 LYS C C 178.377 0.000 1 1034 94 94 LYS CA C 58.673 0.020 1 1035 94 94 LYS CB C 32.445 0.017 1 1036 94 94 LYS CD C 28.664 0.000 1 1037 94 94 LYS CE C 42.349 0.000 1 1038 94 94 LYS CG C 24.905 0.033 1 1039 94 94 LYS N N 124.245 0.015 1 1040 95 95 ASP H H 8.526 0.001 1 1041 95 95 ASP HA H 4.754 0.002 1 1042 95 95 ASP HB2 H 2.794 0.002 2 1043 95 95 ASP HB3 H 2.794 0.002 2 1044 95 95 ASP C C 177.152 0.000 1 1045 95 95 ASP CA C 55.151 0.024 1 1046 95 95 ASP CB C 41.457 0.008 1 1047 95 95 ASP N N 116.626 0.017 1 1048 96 96 GLY H H 8.230 0.002 1 1049 96 96 GLY HA2 H 3.761 0.008 2 1050 96 96 GLY HA3 H 4.008 0.003 2 1051 96 96 GLY C C 175.293 0.000 1 1052 96 96 GLY CA C 46.875 0.014 1 1053 96 96 GLY N N 109.329 0.016 1 1054 97 97 ASN H H 8.884 0.001 1 1055 97 97 ASN HA H 4.838 0.004 1 1056 97 97 ASN HB2 H 2.768 0.001 2 1057 97 97 ASN HB3 H 2.896 0.000 2 1058 97 97 ASN HD21 H 7.042 0.000 2 1059 97 97 ASN HD22 H 7.642 0.000 2 1060 97 97 ASN C C 176.199 0.000 1 1061 97 97 ASN CA C 53.553 0.018 1 1062 97 97 ASN CB C 39.564 0.019 1 1063 97 97 ASN N N 117.958 0.008 1 1064 97 97 ASN ND2 N 112.576 0.001 1 1065 98 98 GLY H H 9.772 0.003 1 1066 98 98 GLY HA2 H 3.100 0.003 2 1067 98 98 GLY HA3 H 3.955 0.003 2 1068 98 98 GLY C C 172.651 0.004 1 1069 98 98 GLY CA C 45.333 0.021 1 1070 98 98 GLY N N 109.496 0.014 1 1071 99 99 TYR H H 7.911 0.002 1 1072 99 99 TYR HA H 5.596 0.006 1 1073 99 99 TYR HB2 H 2.746 0.002 2 1074 99 99 TYR HB3 H 2.830 0.000 2 1075 99 99 TYR HD1 H 6.738 0.002 1 1076 99 99 TYR HD2 H 6.738 0.002 1 1077 99 99 TYR HE1 H 6.785 0.007 1 1078 99 99 TYR HE2 H 6.785 0.007 1 1079 99 99 TYR C C 174.889 0.000 1 1080 99 99 TYR CA C 56.031 0.011 1 1081 99 99 TYR CB C 42.130 0.051 1 1082 99 99 TYR N N 117.080 0.007 1 1083 100 100 ILE H H 8.724 0.002 1 1084 100 100 ILE HA H 4.762 0.004 1 1085 100 100 ILE HB H 1.761 0.002 1 1086 100 100 ILE HD1 H 0.933 0.001 1 1087 100 100 ILE HG12 H 1.380 0.000 2 1088 100 100 ILE HG13 H 1.818 0.000 2 1089 100 100 ILE HG2 H 1.141 0.001 1 1090 100 100 ILE C C 174.559 0.000 1 1091 100 100 ILE CA C 59.594 0.013 1 1092 100 100 ILE CB C 43.260 0.043 1 1093 100 100 ILE CD1 C 15.166 0.003 1 1094 100 100 ILE CG1 C 27.877 0.000 1 1095 100 100 ILE CG2 C 17.287 0.004 1 1096 100 100 ILE N N 116.427 0.016 1 1097 101 101 SER H H 9.164 0.002 1 1098 101 101 SER HA H 4.748 0.000 1 1099 101 101 SER HB2 H 4.130 0.006 2 1100 101 101 SER HB3 H 4.426 0.003 2 1101 101 101 SER C C 175.640 0.000 1 1102 101 101 SER CA C 58.532 0.014 1 1103 101 101 SER CB C 64.003 0.025 1 1104 101 101 SER N N 122.843 0.025 1 1105 102 102 ALA H H 9.040 0.002 1 1106 102 102 ALA HA H 3.847 0.010 1 1107 102 102 ALA HB H 1.361 0.008 1 1108 102 102 ALA C C 179.425 0.000 1 1109 102 102 ALA CA C 55.615 0.039 1 1110 102 102 ALA CB C 18.017 0.028 1 1111 102 102 ALA N N 127.480 0.015 1 1112 103 103 ALA H H 8.463 0.001 1 1113 103 103 ALA HA H 4.092 0.005 1 1114 103 103 ALA HB H 1.433 0.011 1 1115 103 103 ALA C C 180.901 0.075 1 1116 103 103 ALA CA C 55.289 0.017 1 1117 103 103 ALA CB C 18.341 0.017 1 1118 103 103 ALA N N 119.295 0.008 1 1119 104 104 GLU H H 7.925 0.002 1 1120 104 104 GLU HA H 4.228 0.003 1 1121 104 104 GLU HB2 H 2.171 0.002 2 1122 104 104 GLU HB3 H 2.171 0.002 2 1123 104 104 GLU HG2 H 2.369 0.000 2 1124 104 104 GLU HG3 H 2.407 0.000 2 1125 104 104 GLU C C 178.616 0.000 1 1126 104 104 GLU CA C 58.935 0.042 1 1127 104 104 GLU CB C 29.521 0.061 1 1128 104 104 GLU CG C 35.988 0.000 1 1129 104 104 GLU N N 120.708 0.031 1 1130 105 105 LEU H H 8.585 0.001 1 1131 105 105 LEU HA H 3.861 0.000 1 1132 105 105 LEU HB2 H 1.398 0.001 2 1133 105 105 LEU HB3 H 1.890 0.000 2 1134 105 105 LEU HD1 H 0.838 0.001 2 1135 105 105 LEU HD2 H 0.733 0.001 2 1136 105 105 LEU HG H 1.400 0.000 1 1137 105 105 LEU C C 178.064 0.000 1 1138 105 105 LEU CA C 57.860 0.051 1 1139 105 105 LEU CB C 41.586 0.041 1 1140 105 105 LEU CD1 C 22.535 0.017 1 1141 105 105 LEU CD2 C 25.642 0.044 1 1142 105 105 LEU CG C 26.699 0.000 1 1143 105 105 LEU N N 119.936 0.021 1 1144 106 106 ARG H H 8.420 0.002 1 1145 106 106 ARG HA H 3.620 0.006 1 1146 106 106 ARG HB2 H 1.854 0.000 2 1147 106 106 ARG HB3 H 1.854 0.000 2 1148 106 106 ARG HD2 H 3.077 0.008 2 1149 106 106 ARG HD3 H 3.334 0.011 2 1150 106 106 ARG HE H 7.515 0.001 1 1151 106 106 ARG HG2 H 1.535 0.001 2 1152 106 106 ARG HG3 H 1.535 0.001 2 1153 106 106 ARG C C 178.529 0.000 1 1154 106 106 ARG CA C 59.954 0.013 1 1155 106 106 ARG CB C 30.332 0.135 1 1156 106 106 ARG CD C 43.136 0.009 1 1157 106 106 ARG CG C 28.279 0.029 1 1158 106 106 ARG CZ C 159.722 0.000 1 1159 106 106 ARG N N 117.098 0.025 1 1160 106 106 ARG NE N 83.221 0.016 1 1161 107 107 HIS H H 7.806 0.002 1 1162 107 107 HIS HA H 4.070 0.005 1 1163 107 107 HIS HB2 H 3.204 0.002 2 1164 107 107 HIS HB3 H 3.422 0.005 2 1165 107 107 HIS HD2 H 7.037 0.004 1 1166 107 107 HIS C C 177.876 0.000 1 1167 107 107 HIS CA C 60.487 0.038 1 1168 107 107 HIS CB C 29.852 0.022 1 1169 107 107 HIS N N 118.396 0.017 1 1170 108 108 VAL H H 8.652 0.002 1 1171 108 108 VAL HA H 3.514 0.000 1 1172 108 108 VAL HB H 1.716 0.005 1 1173 108 108 VAL HG1 H 0.487 0.001 2 1174 108 108 VAL HG2 H 0.663 0.001 2 1175 108 108 VAL C C 177.932 0.000 1 1176 108 108 VAL CA C 66.475 0.028 1 1177 108 108 VAL CB C 31.866 0.031 1 1178 108 108 VAL CG1 C 21.381 0.016 1 1179 108 108 VAL CG2 C 20.673 0.021 1 1180 108 108 VAL N N 117.447 0.031 1 1181 109 109 MET H H 8.165 0.002 1 1182 109 109 MET HA H 4.321 0.007 1 1183 109 109 MET HB2 H 1.625 0.000 2 1184 109 109 MET HB3 H 2.311 0.000 2 1185 109 109 MET HE H 1.814 0.000 1 1186 109 109 MET HG2 H 2.437 0.000 2 1187 109 109 MET HG3 H 2.791 0.000 2 1188 109 109 MET C C 178.379 0.000 1 1189 109 109 MET CA C 56.437 0.032 1 1190 109 109 MET CB C 36.677 0.016 1 1191 109 109 MET CE C 20.667 0.000 1 1192 109 109 MET CG C 33.994 0.000 1 1193 109 109 MET N N 112.168 0.026 1 1194 110 110 THR H H 7.505 0.002 1 1195 110 110 THR HA H 4.549 0.000 1 1196 110 110 THR HB H 4.409 0.003 1 1197 110 110 THR HG2 H 1.235 0.000 1 1198 110 110 THR C C 174.780 0.000 1 1199 110 110 THR CA C 62.015 0.028 1 1200 110 110 THR CB C 70.683 0.074 1 1201 110 110 THR CG2 C 21.727 0.000 1 1202 110 110 THR N N 103.950 0.036 1 1203 111 111 ASN H H 7.368 0.001 1 1204 111 111 ASN HA H 4.901 0.004 1 1205 111 111 ASN HB2 H 2.298 0.000 2 1206 111 111 ASN HB3 H 2.459 0.000 2 1207 111 111 ASN HD21 H 6.737 0.000 2 1208 111 111 ASN HD22 H 7.564 0.000 2 1209 111 111 ASN C C 173.508 0.000 1 1210 111 111 ASN CA C 54.843 0.013 1 1211 111 111 ASN CB C 41.392 0.040 1 1212 111 111 ASN N N 116.358 0.018 1 1213 111 111 ASN ND2 N 115.802 0.001 1 1214 112 112 LEU H H 7.626 0.002 1 1215 112 112 LEU HA H 4.807 0.004 1 1216 112 112 LEU HB2 H 1.279 0.000 2 1217 112 112 LEU HB3 H 1.829 0.006 2 1218 112 112 LEU HD1 H 0.937 0.001 2 1219 112 112 LEU HD2 H 0.945 0.001 2 1220 112 112 LEU HG H 1.639 0.000 1 1221 112 112 LEU C C 176.816 0.000 1 1222 112 112 LEU CA C 53.663 0.023 1 1223 112 112 LEU CB C 46.183 0.021 1 1224 112 112 LEU CD1 C 23.777 0.007 1 1225 112 112 LEU CD2 C 25.916 0.040 1 1226 112 112 LEU CG C 27.623 0.000 1 1227 112 112 LEU N N 119.671 0.027 1 1228 113 113 GLY H H 9.128 0.002 1 1229 113 113 GLY HA2 H 3.833 0.003 2 1230 113 113 GLY HA3 H 3.833 0.003 2 1231 113 113 GLY C C 176.007 0.000 1 1232 113 113 GLY CA C 47.187 0.008 1 1233 113 113 GLY N N 106.203 0.055 1 1234 114 114 GLU H H 9.279 0.002 1 1235 114 114 GLU HA H 4.367 0.003 1 1236 114 114 GLU HB2 H 1.812 0.000 2 1237 114 114 GLU HB3 H 1.812 0.000 2 1238 114 114 GLU HG2 H 2.237 0.000 2 1239 114 114 GLU HG3 H 2.237 0.000 2 1240 114 114 GLU C C 175.409 0.000 1 1241 114 114 GLU CA C 54.946 0.016 1 1242 114 114 GLU CB C 27.387 0.020 1 1243 114 114 GLU CG C 36.105 0.038 1 1244 114 114 GLU N N 128.836 0.032 1 1245 115 115 LYS H H 6.880 0.002 1 1246 115 115 LYS HA H 3.844 0.004 1 1247 115 115 LYS HB2 H 1.493 0.000 2 1248 115 115 LYS HB3 H 1.493 0.000 2 1249 115 115 LYS HD2 H 1.569 0.000 2 1250 115 115 LYS HD3 H 1.703 0.000 2 1251 115 115 LYS HE2 H 2.908 0.000 2 1252 115 115 LYS HE3 H 2.908 0.000 2 1253 115 115 LYS HG2 H 0.885 0.000 2 1254 115 115 LYS HG3 H 1.135 0.000 2 1255 115 115 LYS C C 177.745 0.000 1 1256 115 115 LYS CA C 57.951 0.028 1 1257 115 115 LYS CB C 33.595 0.036 1 1258 115 115 LYS CD C 29.414 0.000 1 1259 115 115 LYS CE C 41.977 0.000 1 1260 115 115 LYS CG C 24.658 0.000 1 1261 115 115 LYS N N 115.949 0.018 1 1262 116 116 LEU H H 8.462 0.003 1 1263 116 116 LEU HA H 4.613 0.009 1 1264 116 116 LEU HB2 H 1.786 0.000 2 1265 116 116 LEU HB3 H 1.786 0.000 2 1266 116 116 LEU HD1 H 0.782 0.000 2 1267 116 116 LEU HD2 H 1.046 0.001 2 1268 116 116 LEU HG H 1.388 0.000 1 1269 116 116 LEU C C 177.659 0.000 1 1270 116 116 LEU CA C 54.396 0.015 1 1271 116 116 LEU CB C 41.797 0.051 1 1272 116 116 LEU CD1 C 27.246 0.007 1 1273 116 116 LEU CD2 C 21.743 0.001 1 1274 116 116 LEU CG C 27.241 0.000 1 1275 116 116 LEU N N 121.638 0.052 1 1276 117 117 THR H H 9.401 0.004 1 1277 117 117 THR HA H 4.375 0.007 1 1278 117 117 THR HB H 4.789 0.000 1 1279 117 117 THR HG2 H 1.373 0.005 1 1280 117 117 THR C C 175.438 0.000 1 1281 117 117 THR CA C 60.837 0.046 1 1282 117 117 THR CB C 71.238 0.037 1 1283 117 117 THR CG2 C 21.939 0.025 1 1284 117 117 THR N N 112.042 0.032 1 1285 118 118 ASP H H 8.772 0.002 1 1286 118 118 ASP HA H 4.311 0.005 1 1287 118 118 ASP HB2 H 2.574 0.003 2 1288 118 118 ASP HB3 H 2.696 0.000 2 1289 118 118 ASP C C 177.846 0.000 1 1290 118 118 ASP CA C 57.929 0.036 1 1291 118 118 ASP CB C 40.236 0.023 1 1292 118 118 ASP N N 120.340 0.048 1 1293 119 119 GLU H H 8.422 0.001 1 1294 119 119 GLU HA H 4.140 0.001 1 1295 119 119 GLU HB2 H 2.035 0.016 2 1296 119 119 GLU HB3 H 2.035 0.016 2 1297 119 119 GLU HG2 H 2.381 0.001 2 1298 119 119 GLU HG3 H 2.381 0.001 2 1299 119 119 GLU C C 180.360 0.000 1 1300 119 119 GLU CA C 59.958 0.011 1 1301 119 119 GLU CB C 29.553 0.009 1 1302 119 119 GLU CG C 36.962 0.008 1 1303 119 119 GLU N N 117.145 0.012 1 1304 120 120 GLU H H 7.896 0.001 1 1305 120 120 GLU HA H 4.120 0.003 1 1306 120 120 GLU HB2 H 1.972 0.000 2 1307 120 120 GLU HB3 H 2.679 0.000 2 1308 120 120 GLU HG2 H 2.209 0.000 2 1309 120 120 GLU HG3 H 2.563 0.000 2 1310 120 120 GLU C C 178.802 0.000 1 1311 120 120 GLU CA C 59.670 0.066 1 1312 120 120 GLU CB C 32.310 0.018 1 1313 120 120 GLU CG C 37.625 0.000 1 1314 120 120 GLU N N 119.628 0.039 1 1315 121 121 VAL H H 8.827 0.001 1 1316 121 121 VAL HA H 3.756 0.007 1 1317 121 121 VAL HB H 1.883 0.008 1 1318 121 121 VAL HG1 H 1.056 0.000 2 1319 121 121 VAL HG2 H 0.988 0.001 2 1320 121 121 VAL C C 176.787 0.000 1 1321 121 121 VAL CA C 65.089 0.029 1 1322 121 121 VAL CB C 31.176 0.034 1 1323 121 121 VAL CG1 C 20.941 0.001 1 1324 121 121 VAL CG2 C 24.583 0.018 1 1325 121 121 VAL N N 118.581 0.058 1 1326 122 122 ASP H H 8.353 0.002 1 1327 122 122 ASP HA H 4.394 0.002 1 1328 122 122 ASP HB2 H 2.613 0.000 2 1329 122 122 ASP HB3 H 2.921 0.004 2 1330 122 122 ASP C C 179.670 0.000 1 1331 122 122 ASP CA C 57.660 0.008 1 1332 122 122 ASP CB C 39.943 0.036 1 1333 122 122 ASP N N 122.882 0.018 1 1334 123 123 GLU H H 7.544 0.001 1 1335 123 123 GLU HA H 4.332 0.005 1 1336 123 123 GLU HB2 H 2.375 0.000 2 1337 123 123 GLU HB3 H 2.375 0.000 2 1338 123 123 GLU HG2 H 2.522 0.002 2 1339 123 123 GLU HG3 H 2.617 0.001 2 1340 123 123 GLU C C 177.801 0.000 1 1341 123 123 GLU CA C 58.712 0.016 1 1342 123 123 GLU CB C 28.714 0.022 1 1343 123 123 GLU CG C 35.088 0.002 1 1344 123 123 GLU N N 119.781 0.015 1 1345 124 124 MET H H 8.195 0.002 1 1346 124 124 MET HA H 3.699 0.002 1 1347 124 124 MET HB2 H 1.696 0.000 2 1348 124 124 MET HB3 H 1.696 0.000 2 1349 124 124 MET HE H 1.657 0.000 1 1350 124 124 MET HG2 H 1.812 0.000 2 1351 124 124 MET HG3 H 1.812 0.000 2 1352 124 124 MET C C 177.172 0.000 1 1353 124 124 MET CA C 60.267 0.016 1 1354 124 124 MET CB C 32.587 0.095 1 1355 124 124 MET CE C 18.242 0.000 1 1356 124 124 MET CG C 32.194 0.000 1 1357 124 124 MET N N 120.458 0.044 1 1358 125 125 ILE H H 8.304 0.003 1 1359 125 125 ILE HA H 3.492 0.000 1 1360 125 125 ILE HB H 2.060 0.006 1 1361 125 125 ILE HD1 H 0.638 0.000 1 1362 125 125 ILE HG12 H 1.397 0.002 2 1363 125 125 ILE HG13 H 1.576 0.001 2 1364 125 125 ILE HG2 H 0.901 0.000 1 1365 125 125 ILE C C 177.865 0.000 1 1366 125 125 ILE CA C 63.055 0.023 1 1367 125 125 ILE CB C 35.872 0.060 1 1368 125 125 ILE CD1 C 10.197 0.039 1 1369 125 125 ILE CG1 C 28.192 0.001 1 1370 125 125 ILE CG2 C 18.136 0.000 1 1371 125 125 ILE N N 115.974 0.015 1 1372 126 126 ARG H H 7.942 0.001 1 1373 126 126 ARG HA H 4.051 0.008 1 1374 126 126 ARG HB2 H 1.948 0.000 2 1375 126 126 ARG HB3 H 2.026 0.000 2 1376 126 126 ARG HD2 H 3.264 0.000 2 1377 126 126 ARG HD3 H 3.264 0.000 2 1378 126 126 ARG HE H 7.592 0.001 1 1379 126 126 ARG HG2 H 1.654 0.000 2 1380 126 126 ARG HG3 H 1.778 0.000 2 1381 126 126 ARG C C 178.861 0.000 1 1382 126 126 ARG CA C 59.620 0.037 1 1383 126 126 ARG CB C 30.466 0.016 1 1384 126 126 ARG CD C 43.481 0.010 1 1385 126 126 ARG CG C 27.916 0.038 1 1386 126 126 ARG CZ C 159.657 0.000 1 1387 126 126 ARG N N 119.515 0.016 1 1388 126 126 ARG NE N 83.688 0.007 1 1389 127 127 GLU H H 7.898 0.002 1 1390 127 127 GLU HA H 4.147 0.007 1 1391 127 127 GLU HB2 H 2.294 0.000 2 1392 127 127 GLU HB3 H 2.385 0.000 2 1393 127 127 GLU HG2 H 2.434 0.000 2 1394 127 127 GLU HG3 H 2.901 0.000 2 1395 127 127 GLU C C 176.891 0.000 1 1396 127 127 GLU CA C 58.297 0.052 1 1397 127 127 GLU CB C 30.447 0.004 1 1398 127 127 GLU N N 115.677 0.018 1 1399 128 128 ALA H H 7.966 0.003 1 1400 128 128 ALA HA H 4.015 0.002 1 1401 128 128 ALA HB H 0.775 0.007 1 1402 128 128 ALA C C 177.247 0.000 1 1403 128 128 ALA CA C 53.084 0.012 1 1404 128 128 ALA CB C 19.383 0.030 1 1405 128 128 ALA N N 119.085 0.010 1 1406 129 129 ASP H H 8.387 0.001 1 1407 129 129 ASP HA H 4.804 0.007 1 1408 129 129 ASP HB2 H 2.280 0.003 2 1409 129 129 ASP HB3 H 2.964 0.000 2 1410 129 129 ASP C C 176.352 0.000 1 1411 129 129 ASP CA C 52.986 0.025 1 1412 129 129 ASP CB C 39.682 0.058 1 1413 129 129 ASP N N 118.858 0.008 1 1414 130 130 ILE H H 7.871 0.002 1 1415 130 130 ILE HA H 4.795 0.000 1 1416 130 130 ILE HB H 1.848 0.003 1 1417 130 130 ILE HD1 H 0.920 0.001 1 1418 130 130 ILE HG12 H 1.145 0.002 2 1419 130 130 ILE HG13 H 1.570 0.001 2 1420 130 130 ILE HG2 H 0.971 0.001 1 1421 130 130 ILE CA C 62.772 0.000 1 1422 130 130 ILE CB C 39.408 0.000 1 1423 130 130 ILE CD1 C 13.895 0.054 1 1424 130 130 ILE CG1 C 27.752 0.001 1 1425 130 130 ILE CG2 C 17.708 0.000 1 1426 130 130 ILE N N 121.783 0.041 1 1427 132 132 GLY HA2 H 3.823 0.000 2 1428 132 132 GLY HA3 H 3.906 0.000 2 1429 132 132 GLY C C 174.854 0.000 1 1430 132 132 GLY CA C 46.808 0.012 1 1431 133 133 ASP H H 8.420 0.001 1 1432 133 133 ASP HA H 4.773 0.000 1 1433 133 133 ASP HB2 H 2.702 0.000 2 1434 133 133 ASP HB3 H 2.702 0.000 2 1435 133 133 ASP CA C 53.685 0.000 1 1436 133 133 ASP CB C 41.518 0.000 1 1437 133 133 ASP N N 119.301 0.014 1 1438 134 134 GLY HA2 H 3.649 0.001 2 1439 134 134 GLY HA3 H 4.204 0.000 2 1440 134 134 GLY C C 174.322 0.000 1 1441 134 134 GLY CA C 46.138 0.028 1 1442 135 135 GLN H H 8.283 0.002 1 1443 135 135 GLN HA H 4.694 0.005 1 1444 135 135 GLN HB2 H 1.948 0.000 2 1445 135 135 GLN HB3 H 1.948 0.000 2 1446 135 135 GLN HE21 H 7.245 0.000 2 1447 135 135 GLN HE22 H 6.388 0.000 2 1448 135 135 GLN HG2 H 1.952 0.000 2 1449 135 135 GLN HG3 H 2.101 0.000 2 1450 135 135 GLN C C 174.344 0.000 1 1451 135 135 GLN CA C 54.782 0.014 1 1452 135 135 GLN CB C 30.493 0.022 1 1453 135 135 GLN CG C 33.167 0.037 1 1454 135 135 GLN N N 120.373 0.032 1 1455 135 135 GLN NE2 N 109.903 0.000 1 1456 136 136 VAL H H 9.039 0.002 1 1457 136 136 VAL HA H 4.159 0.008 1 1458 136 136 VAL HB H 2.319 0.000 1 1459 136 136 VAL HG1 H 0.597 0.000 2 1460 136 136 VAL HG2 H 0.708 0.001 2 1461 136 136 VAL C C 175.185 0.000 1 1462 136 136 VAL CA C 61.847 0.024 1 1463 136 136 VAL CB C 33.183 0.038 1 1464 136 136 VAL CG1 C 20.029 0.022 1 1465 136 136 VAL CG2 C 20.456 0.005 1 1466 136 136 VAL N N 121.125 0.034 1 1467 137 137 ASN H H 9.079 0.002 1 1468 137 137 ASN HA H 4.452 0.005 1 1469 137 137 ASN HB2 H 2.649 0.000 2 1470 137 137 ASN HB3 H 3.128 0.001 2 1471 137 137 ASN HD21 H 7.305 0.000 2 1472 137 137 ASN HD22 H 6.924 0.000 2 1473 137 137 ASN C C 176.142 0.000 1 1474 137 137 ASN CA C 52.014 0.018 1 1475 137 137 ASN CB C 37.198 0.012 1 1476 137 137 ASN N N 126.843 0.014 1 1477 137 137 ASN ND2 N 111.844 0.002 1 1478 138 138 TYR H H 7.237 0.002 1 1479 138 138 TYR HA H 4.020 0.012 1 1480 138 138 TYR HB2 H 1.957 0.001 2 1481 138 138 TYR HB3 H 1.957 0.001 2 1482 138 138 TYR HD1 H 6.567 0.004 1 1483 138 138 TYR HD2 H 6.567 0.004 1 1484 138 138 TYR HE1 H 6.743 0.003 1 1485 138 138 TYR HE2 H 6.743 0.003 1 1486 138 138 TYR C C 176.398 0.000 1 1487 138 138 TYR CA C 59.461 0.010 1 1488 138 138 TYR CB C 36.862 0.023 1 1489 138 138 TYR N N 122.651 0.043 1 1490 139 139 GLU H H 8.215 0.002 1 1491 139 139 GLU HA H 4.031 0.000 1 1492 139 139 GLU HB2 H 1.878 0.000 2 1493 139 139 GLU HB3 H 1.932 0.007 2 1494 139 139 GLU HG2 H 2.104 0.000 2 1495 139 139 GLU HG3 H 2.152 0.001 2 1496 139 139 GLU C C 179.255 0.000 1 1497 139 139 GLU CA C 59.947 0.036 1 1498 139 139 GLU CB C 28.327 0.008 1 1499 139 139 GLU CG C 35.680 0.019 1 1500 139 139 GLU N N 125.844 0.017 1 1501 140 140 GLU H H 7.352 0.001 1 1502 140 140 GLU HA H 4.029 0.003 1 1503 140 140 GLU HB2 H 1.950 0.003 2 1504 140 140 GLU HB3 H 1.950 0.003 2 1505 140 140 GLU HG2 H 2.251 0.000 2 1506 140 140 GLU HG3 H 2.319 0.000 2 1507 140 140 GLU C C 179.375 0.000 1 1508 140 140 GLU CA C 58.744 0.099 1 1509 140 140 GLU CB C 29.243 0.075 1 1510 140 140 GLU CG C 36.011 0.000 1 1511 140 140 GLU N N 117.558 0.017 1 1512 141 141 PHE H H 7.584 0.001 1 1513 141 141 PHE HA H 4.594 0.000 1 1514 141 141 PHE HB2 H 2.853 0.002 2 1515 141 141 PHE HB3 H 3.298 0.009 2 1516 141 141 PHE HD1 H 7.193 0.000 1 1517 141 141 PHE HD2 H 7.193 0.000 1 1518 141 141 PHE HE1 H 7.273 0.001 1 1519 141 141 PHE HE2 H 7.273 0.001 1 1520 141 141 PHE HZ H 7.012 0.000 1 1521 141 141 PHE C C 177.605 0.000 1 1522 141 141 PHE CA C 60.096 0.038 1 1523 141 141 PHE CB C 39.380 0.031 1 1524 141 141 PHE N N 120.080 0.042 1 1525 142 142 VAL H H 8.548 0.002 1 1526 142 142 VAL HA H 3.327 0.004 1 1527 142 142 VAL HB H 2.342 0.003 1 1528 142 142 VAL HG1 H 1.002 0.001 2 1529 142 142 VAL HG2 H 1.177 0.001 2 1530 142 142 VAL C C 178.587 0.000 1 1531 142 142 VAL CA C 67.724 0.062 1 1532 142 142 VAL CB C 31.486 0.051 1 1533 142 142 VAL CG1 C 22.332 0.006 1 1534 142 142 VAL CG2 C 24.689 0.017 1 1535 142 142 VAL N N 118.980 0.011 1 1536 143 143 GLN H H 7.608 0.003 1 1537 143 143 GLN HA H 3.897 0.000 1 1538 143 143 GLN HB2 H 2.164 0.000 2 1539 143 143 GLN HB3 H 2.525 0.000 2 1540 143 143 GLN HE21 H 6.894 0.001 2 1541 143 143 GLN HE22 H 7.497 0.001 2 1542 143 143 GLN HG2 H 2.441 0.004 2 1543 143 143 GLN HG3 H 2.441 0.004 2 1544 143 143 GLN C C 178.198 0.000 1 1545 143 143 GLN CA C 58.773 0.103 1 1546 143 143 GLN CB C 28.045 0.033 1 1547 143 143 GLN CG C 33.886 0.004 1 1548 143 143 GLN N N 117.641 0.043 1 1549 143 143 GLN NE2 N 113.102 0.001 1 1550 144 144 MET H H 7.744 0.001 1 1551 144 144 MET HA H 4.129 0.000 1 1552 144 144 MET HB2 H 2.193 0.000 2 1553 144 144 MET HB3 H 2.260 0.000 2 1554 144 144 MET HE H 2.043 0.000 1 1555 144 144 MET HG2 H 2.500 0.004 2 1556 144 144 MET HG3 H 2.768 0.001 2 1557 144 144 MET C C 178.617 0.000 1 1558 144 144 MET CA C 58.797 0.009 1 1559 144 144 MET CB C 31.892 0.068 1 1560 144 144 MET CE C 17.299 0.000 1 1561 144 144 MET CG C 31.753 0.014 1 1562 144 144 MET N N 118.519 0.009 1 1563 145 145 MET H H 7.935 0.002 1 1564 145 145 MET HA H 3.514 0.000 1 1565 145 145 MET HB2 H 1.798 0.006 2 1566 145 145 MET HB3 H 1.989 0.006 2 1567 145 145 MET HE H 1.867 0.000 1 1568 145 145 MET HG2 H 2.152 0.001 2 1569 145 145 MET HG3 H 2.152 0.001 2 1570 145 145 MET C C 176.824 0.000 1 1571 145 145 MET CA C 58.425 0.032 1 1572 145 145 MET CB C 34.633 0.116 1 1573 145 145 MET CE C 17.364 0.000 1 1574 145 145 MET CG C 32.422 0.023 1 1575 145 145 MET N N 114.706 0.024 1 1576 146 146 THR H H 7.541 0.001 1 1577 146 146 THR HA H 4.399 0.012 1 1578 146 146 THR HB H 4.429 0.004 1 1579 146 146 THR HG2 H 1.190 0.000 1 1580 146 146 THR C C 174.451 0.000 1 1581 146 146 THR CA C 61.847 0.035 1 1582 146 146 THR CB C 69.892 0.065 1 1583 146 146 THR N N 107.783 0.035 1 1584 147 147 ALA H H 7.425 0.001 1 1585 147 147 ALA HA H 4.337 0.001 1 1586 147 147 ALA HB H 1.511 0.007 1 1587 147 147 ALA C C 177.098 0.000 1 1588 147 147 ALA CA C 53.252 0.017 1 1589 147 147 ALA CB C 19.219 0.020 1 1590 147 147 ALA N N 126.375 0.019 1 1591 148 148 LYS H H 8.114 0.001 1 1592 148 148 LYS HA H 4.209 0.001 1 1593 148 148 LYS HB2 H 1.754 0.000 2 1594 148 148 LYS HB3 H 1.885 0.000 2 1595 148 148 LYS HG2 H 1.482 0.000 2 1596 148 148 LYS HG3 H 1.482 0.000 2 1597 148 148 LYS CA C 57.695 0.020 1 1598 148 148 LYS CB C 33.777 0.000 1 1599 148 148 LYS N N 126.325 0.014 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 HNCACB' '3D HNCO' '3D H(CCO)NH' '2D 1H-1H 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 IQ_motif _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 -4 1 GLY HA2 H 3.988 0.000 2 2 -4 1 GLY HA3 H 3.988 0.000 2 3 -3 2 PRO HA H 4.488 0.002 1 4 -3 2 PRO HB2 H 1.975 0.002 2 5 -3 2 PRO HB3 H 2.302 0.002 2 6 -3 2 PRO HD2 H 3.581 0.000 2 7 -3 2 PRO HD3 H 3.581 0.000 2 8 -3 2 PRO HG2 H 2.028 0.000 2 9 -3 2 PRO HG3 H 2.028 0.000 2 10 -3 2 PRO C C 177.536 0.000 1 11 -3 2 PRO CA C 63.319 0.018 1 12 -3 2 PRO CB C 32.347 0.011 1 13 -3 2 PRO CD C 49.691 0.009 1 14 -3 2 PRO CG C 27.171 0.000 1 15 -2 3 GLY H H 8.732 0.001 1 16 -2 3 GLY HA2 H 3.965 0.001 2 17 -2 3 GLY HA3 H 4.106 0.001 2 18 -2 3 GLY C C 174.248 0.000 1 19 -2 3 GLY CA C 45.219 0.012 1 20 -2 3 GLY N N 109.710 0.013 1 21 -1 4 SER H H 8.254 0.001 1 22 -1 4 SER HA H 4.415 0.004 1 23 -1 4 SER HB2 H 3.910 0.001 2 24 -1 4 SER HB3 H 4.059 0.002 2 25 -1 4 SER C C 176.697 0.000 1 26 -1 4 SER CA C 59.043 0.019 1 27 -1 4 SER CB C 63.831 0.033 1 28 -1 4 SER N N 114.511 0.034 1 29 1901 5 GLU H H 9.241 0.002 1 30 1901 5 GLU HA H 3.720 0.002 1 31 1901 5 GLU HB2 H 2.099 0.001 2 32 1901 5 GLU HB3 H 2.099 0.001 2 33 1901 5 GLU HG2 H 2.153 0.000 2 34 1901 5 GLU HG3 H 2.222 0.000 2 35 1901 5 GLU C C 177.779 0.000 1 36 1901 5 GLU CA C 61.031 0.035 1 37 1901 5 GLU CB C 29.006 0.008 1 38 1901 5 GLU CG C 37.266 0.005 1 39 1901 5 GLU N N 124.125 0.010 1 40 1902 6 GLU H H 8.318 0.002 1 41 1902 6 GLU HA H 3.987 0.000 1 42 1902 6 GLU HB2 H 2.138 0.009 2 43 1902 6 GLU HB3 H 2.138 0.009 2 44 1902 6 GLU HG2 H 2.349 0.000 2 45 1902 6 GLU HG3 H 2.349 0.000 2 46 1902 6 GLU C C 178.058 0.000 1 47 1902 6 GLU CA C 60.708 0.041 1 48 1902 6 GLU CB C 29.655 0.083 1 49 1902 6 GLU CG C 36.427 0.000 1 50 1902 6 GLU N N 118.693 0.016 1 51 1903 7 VAL H H 7.678 0.001 1 52 1903 7 VAL HA H 3.758 0.003 1 53 1903 7 VAL HB H 2.091 0.005 1 54 1903 7 VAL HG1 H 0.980 0.000 2 55 1903 7 VAL HG2 H 1.058 0.000 2 56 1903 7 VAL C C 178.721 0.000 1 57 1903 7 VAL CA C 66.243 0.024 1 58 1903 7 VAL CB C 31.926 0.042 1 59 1903 7 VAL CG1 C 21.224 0.011 1 60 1903 7 VAL CG2 C 22.620 0.009 1 61 1903 7 VAL N N 117.376 0.017 1 62 1904 8 SER H H 8.019 0.002 1 63 1904 8 SER HA H 3.762 0.000 1 64 1904 8 SER HB2 H 3.978 0.000 2 65 1904 8 SER HB3 H 3.978 0.000 2 66 1904 8 SER C C 175.544 0.000 1 67 1904 8 SER CA C 63.079 0.093 1 68 1904 8 SER N N 116.402 0.021 1 69 1905 9 ALA H H 8.489 0.003 1 70 1905 9 ALA HA H 3.648 0.005 1 71 1905 9 ALA HB H 1.285 0.001 1 72 1905 9 ALA C C 178.514 0.000 1 73 1905 9 ALA CA C 56.122 0.019 1 74 1905 9 ALA CB C 17.735 0.032 1 75 1905 9 ALA N N 122.461 0.036 1 76 1906 10 MET H H 7.617 0.002 1 77 1906 10 MET HA H 4.750 0.008 1 78 1906 10 MET HB2 H 2.348 0.000 2 79 1906 10 MET HB3 H 2.348 0.000 2 80 1906 10 MET HE H 2.100 0.000 1 81 1906 10 MET HG2 H 2.498 0.002 2 82 1906 10 MET HG3 H 2.947 0.002 2 83 1906 10 MET C C 178.794 0.000 1 84 1906 10 MET CA C 59.386 0.028 1 85 1906 10 MET CB C 33.606 0.097 1 86 1906 10 MET CE C 17.097 0.000 1 87 1906 10 MET CG C 33.167 0.005 1 88 1906 10 MET N N 115.429 0.026 1 89 1907 11 VAL H H 7.975 0.002 1 90 1907 11 VAL HA H 3.554 0.000 1 91 1907 11 VAL HB H 2.230 0.000 1 92 1907 11 VAL HG1 H 0.817 0.003 2 93 1907 11 VAL HG2 H 1.117 0.001 2 94 1907 11 VAL C C 179.107 0.000 1 95 1907 11 VAL CA C 66.811 0.017 1 96 1907 11 VAL CB C 31.982 0.055 1 97 1907 11 VAL CG1 C 21.881 0.019 1 98 1907 11 VAL CG2 C 22.399 0.008 1 99 1907 11 VAL N N 119.879 0.034 1 100 1908 12 ILE H H 7.272 0.002 1 101 1908 12 ILE HA H 3.331 0.004 1 102 1908 12 ILE HB H 1.580 0.000 1 103 1908 12 ILE HD1 H -0.163 0.005 1 104 1908 12 ILE HG12 H 0.100 0.000 2 105 1908 12 ILE HG13 H 1.527 0.000 2 106 1908 12 ILE HG2 H 0.643 0.001 1 107 1908 12 ILE C C 177.713 0.000 1 108 1908 12 ILE CA C 66.113 0.022 1 109 1908 12 ILE CB C 38.865 0.049 1 110 1908 12 ILE CD1 C 12.509 0.000 1 111 1908 12 ILE CG1 C 29.317 0.000 1 112 1908 12 ILE CG2 C 18.779 0.009 1 113 1908 12 ILE N N 119.244 0.019 1 114 1909 13 GLN H H 8.996 0.002 1 115 1909 13 GLN HA H 3.801 0.001 1 116 1909 13 GLN HB2 H 1.961 0.000 2 117 1909 13 GLN HB3 H 2.608 0.000 2 118 1909 13 GLN HG2 H 2.329 0.000 2 119 1909 13 GLN HG3 H 2.514 0.000 2 120 1909 13 GLN C C 178.847 0.000 1 121 1909 13 GLN CA C 60.398 0.030 1 122 1909 13 GLN CB C 27.013 0.025 1 123 1909 13 GLN CG C 35.152 0.000 1 124 1909 13 GLN N N 119.577 0.020 1 125 1910 14 ARG H H 8.816 0.002 1 126 1910 14 ARG HA H 4.111 0.004 1 127 1910 14 ARG HB2 H 1.937 0.000 2 128 1910 14 ARG HB3 H 2.049 0.000 2 129 1910 14 ARG HD2 H 3.077 0.000 2 130 1910 14 ARG HD3 H 3.227 0.001 2 131 1910 14 ARG HE H 8.235 0.001 1 132 1910 14 ARG HG2 H 1.734 0.000 2 133 1910 14 ARG HG3 H 1.734 0.000 2 134 1910 14 ARG C C 180.156 0.000 1 135 1910 14 ARG CA C 59.981 0.031 1 136 1910 14 ARG CB C 30.379 0.027 1 137 1910 14 ARG CD C 44.258 0.018 1 138 1910 14 ARG CG C 28.288 0.033 1 139 1910 14 ARG CZ C 159.589 0.000 1 140 1910 14 ARG N N 117.433 0.017 1 141 1910 14 ARG NE N 85.362 0.005 1 142 1911 15 ALA H H 7.960 0.002 1 143 1911 15 ALA HA H 4.207 0.012 1 144 1911 15 ALA HB H 1.597 0.002 1 145 1911 15 ALA C C 180.713 0.000 1 146 1911 15 ALA CA C 55.261 0.047 1 147 1911 15 ALA CB C 18.678 0.007 1 148 1911 15 ALA N N 122.443 0.034 1 149 1912 16 PHE H H 9.383 0.002 1 150 1912 16 PHE HA H 4.486 0.002 1 151 1912 16 PHE HB2 H 3.082 0.004 2 152 1912 16 PHE HB3 H 3.342 0.002 2 153 1912 16 PHE HD1 H 7.268 0.000 1 154 1912 16 PHE HD2 H 7.268 0.000 1 155 1912 16 PHE HE1 H 7.622 0.000 1 156 1912 16 PHE HE2 H 7.622 0.000 1 157 1912 16 PHE HZ H 7.300 0.000 1 158 1912 16 PHE C C 177.436 0.000 1 159 1912 16 PHE CA C 62.286 0.000 1 160 1912 16 PHE CB C 39.376 0.019 1 161 1912 16 PHE N N 121.241 0.023 1 162 1913 17 ARG H H 8.773 0.002 1 163 1913 17 ARG HA H 3.744 0.007 1 164 1913 17 ARG HB2 H 1.867 0.000 2 165 1913 17 ARG HB3 H 2.033 0.000 2 166 1913 17 ARG HD2 H 3.053 0.000 2 167 1913 17 ARG HD3 H 3.238 0.000 2 168 1913 17 ARG HE H 8.001 0.002 1 169 1913 17 ARG HG2 H 1.555 0.000 2 170 1913 17 ARG HG3 H 1.555 0.000 2 171 1913 17 ARG C C 179.620 0.000 1 172 1913 17 ARG CA C 61.393 0.048 1 173 1913 17 ARG CB C 29.734 0.090 1 174 1913 17 ARG CD C 43.384 0.000 1 175 1913 17 ARG CG C 31.206 0.080 1 176 1913 17 ARG CZ C 159.298 0.000 1 177 1913 17 ARG N N 118.824 0.016 1 178 1913 17 ARG NE N 87.264 0.012 1 179 1914 18 ARG H H 7.983 0.002 1 180 1914 18 ARG HA H 4.114 0.003 1 181 1914 18 ARG HB2 H 2.018 0.000 2 182 1914 18 ARG HB3 H 2.018 0.000 2 183 1914 18 ARG HD2 H 3.298 0.001 2 184 1914 18 ARG HD3 H 3.298 0.001 2 185 1914 18 ARG HE H 7.430 0.000 1 186 1914 18 ARG HG2 H 1.633 0.000 2 187 1914 18 ARG HG3 H 1.864 0.000 2 188 1914 18 ARG C C 178.352 0.000 1 189 1914 18 ARG CA C 60.011 0.044 1 190 1914 18 ARG CB C 29.989 0.118 1 191 1914 18 ARG CD C 43.669 0.008 1 192 1914 18 ARG CG C 27.776 0.017 1 193 1914 18 ARG CZ C 159.870 0.000 1 194 1914 18 ARG N N 119.962 0.041 1 195 1914 18 ARG NE N 84.239 0.011 1 196 1915 19 HIS H H 7.906 0.002 1 197 1915 19 HIS HA H 4.553 0.003 1 198 1915 19 HIS HB2 H 3.414 0.002 2 199 1915 19 HIS HB3 H 3.622 0.002 2 200 1915 19 HIS HD2 H 6.932 0.000 1 201 1915 19 HIS C C 176.893 0.000 1 202 1915 19 HIS CA C 58.782 0.042 1 203 1915 19 HIS CB C 28.534 0.019 1 204 1915 19 HIS N N 120.592 0.032 1 205 1916 20 LEU H H 8.290 0.002 1 206 1916 20 LEU HA H 3.587 0.005 1 207 1916 20 LEU HB2 H 1.319 0.003 2 208 1916 20 LEU HB3 H 1.631 0.002 2 209 1916 20 LEU HD1 H 0.684 0.001 2 210 1916 20 LEU HD2 H 0.799 0.000 2 211 1916 20 LEU HG H 1.068 0.000 1 212 1916 20 LEU C C 180.026 0.000 1 213 1916 20 LEU CA C 57.635 0.014 1 214 1916 20 LEU CB C 41.428 0.025 1 215 1916 20 LEU CD1 C 22.587 0.042 1 216 1916 20 LEU CD2 C 25.580 0.000 1 217 1916 20 LEU N N 119.072 0.018 1 218 1917 21 LEU H H 7.636 0.002 1 219 1917 21 LEU HA H 4.132 0.001 1 220 1917 21 LEU HB2 H 1.793 0.007 2 221 1917 21 LEU HB3 H 1.793 0.007 2 222 1917 21 LEU HD1 H 0.913 0.004 2 223 1917 21 LEU HD2 H 0.913 0.004 2 224 1917 21 LEU HG H 1.685 0.000 1 225 1917 21 LEU C C 179.494 0.000 1 226 1917 21 LEU CA C 57.726 0.014 1 227 1917 21 LEU CB C 41.836 0.085 1 228 1917 21 LEU CD1 C 24.357 0.020 1 229 1917 21 LEU CD2 C 24.329 0.000 1 230 1917 21 LEU CG C 27.041 0.000 1 231 1917 21 LEU N N 120.055 0.026 1 232 1918 22 GLN H H 8.088 0.001 1 233 1918 22 GLN HA H 4.027 0.009 1 234 1918 22 GLN HB2 H 2.205 0.000 2 235 1918 22 GLN HB3 H 2.205 0.000 2 236 1918 22 GLN HE21 H 7.489 0.001 2 237 1918 22 GLN HE22 H 6.981 0.000 2 238 1918 22 GLN HG2 H 2.471 0.001 2 239 1918 22 GLN HG3 H 2.565 0.002 2 240 1918 22 GLN C C 178.566 0.000 1 241 1918 22 GLN CA C 58.440 0.050 1 242 1918 22 GLN CB C 28.430 0.046 1 243 1918 22 GLN CG C 34.038 0.015 1 244 1918 22 GLN N N 118.114 0.045 1 245 1918 22 GLN NE2 N 111.529 0.000 1 246 1919 23 ARG H H 8.004 0.001 1 247 1919 23 ARG HA H 4.054 0.006 1 248 1919 23 ARG HB2 H 1.722 0.006 2 249 1919 23 ARG HB3 H 1.722 0.006 2 250 1919 23 ARG HD2 H 2.848 0.001 2 251 1919 23 ARG HD3 H 3.053 0.001 2 252 1919 23 ARG HE H 7.205 0.001 1 253 1919 23 ARG HG2 H 1.514 0.001 2 254 1919 23 ARG HG3 H 1.514 0.001 2 255 1919 23 ARG C C 177.934 0.000 1 256 1919 23 ARG CA C 58.362 0.031 1 257 1919 23 ARG CB C 30.214 0.071 1 258 1919 23 ARG CD C 43.697 0.017 1 259 1919 23 ARG CG C 26.675 0.026 1 260 1919 23 ARG CZ C 159.833 0.000 1 261 1919 23 ARG N N 118.258 0.033 1 262 1919 23 ARG NE N 83.824 0.011 1 263 1920 24 SER H H 7.846 0.002 1 264 1920 24 SER HA H 4.339 0.001 1 265 1920 24 SER HB2 H 3.976 0.008 2 266 1920 24 SER HB3 H 3.976 0.008 2 267 1920 24 SER C C 175.571 0.000 1 268 1920 24 SER CA C 60.176 0.018 1 269 1920 24 SER CB C 63.494 0.047 1 270 1920 24 SER N N 114.751 0.030 1 271 1921 25 LEU H H 7.791 0.001 1 272 1921 25 LEU HA H 4.271 0.001 1 273 1921 25 LEU HB2 H 1.558 0.003 2 274 1921 25 LEU HB3 H 1.756 0.005 2 275 1921 25 LEU HD1 H 0.854 0.000 2 276 1921 25 LEU HD2 H 0.905 0.001 2 277 1921 25 LEU HG H 1.750 0.000 1 278 1921 25 LEU C C 178.109 0.000 1 279 1921 25 LEU CA C 56.114 0.023 1 280 1921 25 LEU CB C 42.162 0.028 1 281 1921 25 LEU CD1 C 23.026 0.008 1 282 1921 25 LEU CD2 C 25.232 0.011 1 283 1921 25 LEU CG C 26.686 0.001 1 284 1921 25 LEU N N 122.118 0.022 1 285 1922 26 LYS H H 7.834 0.002 1 286 1922 26 LYS HA H 4.224 0.003 1 287 1922 26 LYS HB2 H 1.798 0.004 2 288 1922 26 LYS HB3 H 1.798 0.004 2 289 1922 26 LYS HD2 H 1.673 0.000 2 290 1922 26 LYS HD3 H 1.673 0.000 2 291 1922 26 LYS HE2 H 2.985 0.000 2 292 1922 26 LYS HE3 H 2.985 0.000 2 293 1922 26 LYS HG2 H 1.389 0.001 2 294 1922 26 LYS HG3 H 1.389 0.001 2 295 1922 26 LYS C C 176.843 0.000 1 296 1922 26 LYS CA C 56.931 0.052 1 297 1922 26 LYS CB C 32.752 0.015 1 298 1922 26 LYS CD C 29.140 0.000 1 299 1922 26 LYS CE C 42.122 0.000 1 300 1922 26 LYS CG C 24.837 0.011 1 301 1922 26 LYS N N 119.452 0.035 1 302 1923 27 HIS H H 8.152 0.002 1 303 1923 27 HIS HA H 4.627 0.000 1 304 1923 27 HIS HB2 H 3.151 0.001 2 305 1923 27 HIS HB3 H 3.261 0.001 2 306 1923 27 HIS HD2 H 7.207 0.004 1 307 1923 27 HIS C C 174.803 0.000 1 308 1923 27 HIS CA C 55.898 0.011 1 309 1923 27 HIS CB C 29.682 0.023 1 310 1923 27 HIS N N 118.465 0.015 1 311 1924 28 ALA H H 8.148 0.001 1 312 1924 28 ALA HA H 4.294 0.002 1 313 1924 28 ALA HB H 1.351 0.006 1 314 1924 28 ALA C C 177.605 0.000 1 315 1924 28 ALA CA C 52.836 0.011 1 316 1924 28 ALA CB C 19.372 0.024 1 317 1924 28 ALA N N 124.074 0.016 1 318 1925 29 SER H H 8.183 0.001 1 319 1925 29 SER HA H 4.397 0.002 1 320 1925 29 SER HB2 H 3.794 0.001 2 321 1925 29 SER HB3 H 3.794 0.001 2 322 1925 29 SER C C 174.068 0.000 1 323 1925 29 SER CA C 58.489 0.017 1 324 1925 29 SER CB C 63.931 0.038 1 325 1925 29 SER N N 114.332 0.031 1 326 1926 30 PHE H H 8.124 0.001 1 327 1926 30 PHE HA H 4.695 0.002 1 328 1926 30 PHE HB2 H 3.024 0.006 2 329 1926 30 PHE HB3 H 3.244 0.001 2 330 1926 30 PHE HD1 H 7.288 0.001 1 331 1926 30 PHE HD2 H 7.288 0.001 1 332 1926 30 PHE HE1 H 7.290 0.006 1 333 1926 30 PHE HE2 H 7.290 0.006 1 334 1926 30 PHE C C 174.712 0.000 1 335 1926 30 PHE CA C 57.640 0.017 1 336 1926 30 PHE CB C 39.449 0.025 1 337 1926 30 PHE N N 121.467 0.023 1 338 1927 31 LEU H H 7.716 0.001 1 339 1927 31 LEU HA H 4.197 0.003 1 340 1927 31 LEU HB2 H 1.577 0.002 2 341 1927 31 LEU HB3 H 1.577 0.002 2 342 1927 31 LEU HD1 H 0.892 0.000 2 343 1927 31 LEU HD2 H 0.892 0.000 2 344 1927 31 LEU HG H 1.556 0.000 1 345 1927 31 LEU CA C 56.848 0.000 1 346 1927 31 LEU CB C 43.681 0.044 1 347 1927 31 LEU N N 127.980 0.026 1 stop_ save_