data_19586 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Calmodulin bound to the target peptide of Endothelial Nitrogen Oxide Synthase phosphorylated at Thr495 ; _BMRB_accession_number 19586 _BMRB_flat_file_name bmr19586.str _Entry_type original _Submission_date 2013-10-28 _Accession_date 2013-10-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Piazza Michael . . 2 Dieckmann Thorsten . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 829 "13C chemical shifts" 397 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-24 update BMRB 'update entry citation' 2014-02-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of calmodulin bound to the target peptide of endothelial nitric oxide synthase phosphorylated at Thr495.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24495081 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Piazza Michael . . 2 Taiakina Valentina . . 3 Guillemette Simon R. . 4 Guillemette 'J. Guy' . . 5 Dieckmann Thorsten . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 53 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1241 _Page_last 1249 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Calmodulin bound to the target peptide of Endothelial Nitrogen Oxide Synthase phosphorylated at Thr495' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16721.465 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 4.91e-100 BMRB 15185 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 15186 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 15187 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 15188 calmodulin 100.00 148 99.32 100.00 9.77e-100 BMRB 15191 Calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 15470 calmodulin 100.00 148 99.32 100.00 2.01e-99 BMRB 15624 Calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 15650 calmodulin 100.00 148 99.32 100.00 3.32e-99 BMRB 15852 calmodulin 100.00 148 99.32 100.00 3.32e-99 BMRB 1634 calmodulin 100.00 148 97.30 99.32 2.54e-97 BMRB 16418 apoCaM 100.00 148 100.00 100.00 4.91e-100 BMRB 16465 entity_1 100.00 148 100.00 100.00 4.91e-100 BMRB 1648 calmodulin 100.00 148 97.30 99.32 2.54e-97 BMRB 16764 CALMODULIN 100.00 150 100.00 100.00 5.25e-100 BMRB 17264 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 17360 entity_1 100.00 148 100.00 100.00 4.91e-100 BMRB 17771 Calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 17807 Calmodulin 99.32 147 100.00 100.00 2.55e-99 BMRB 18027 CaM 100.00 148 100.00 100.00 4.91e-100 BMRB 18028 CaM 100.00 148 100.00 100.00 4.91e-100 BMRB 18556 Calmodulin 100.00 148 98.65 99.32 2.65e-98 BMRB 19036 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 19238 Calmodulin_prototypical_calcium_sensor 100.00 148 100.00 100.00 4.91e-100 BMRB 19604 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 25253 CaM 100.00 148 98.65 99.32 1.22e-97 BMRB 25257 CaM 100.00 148 98.65 99.32 1.22e-97 BMRB 26503 Calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 26626 CaM 100.00 148 100.00 100.00 4.91e-100 BMRB 26627 CaM 100.00 148 100.00 100.00 4.91e-100 BMRB 4056 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 4270 calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 4284 Calmodulin 100.00 148 100.00 100.00 4.91e-100 BMRB 4310 calmodulin 100.00 148 100.00 100.00 4.91e-100 PDB 1A29 "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" 100.00 148 100.00 100.00 4.91e-100 PDB 1CFC "Calcium-Free Calmodulin" 100.00 148 100.00 100.00 4.91e-100 PDB 1CFD "Calcium-Free Calmodulin" 100.00 148 100.00 100.00 4.91e-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 4.91e-100 PDB 1CKK "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" 100.00 148 100.00 100.00 4.91e-100 PDB 1CLL "Calmodulin Structure Refined At 1.7 Angstroms Resolution" 100.00 148 100.00 100.00 4.91e-100 PDB 1CM1 "Motions Of Calmodulin-Single-Conformer Refinement" 100.00 148 100.00 100.00 4.91e-100 PDB 1CM4 "Motions Of Calmodulin-four-conformer Refinement" 100.00 148 100.00 100.00 4.91e-100 PDB 1CTR "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" 100.00 148 100.00 100.00 4.91e-100 PDB 1DMO "Calmodulin, Nmr, 30 Structures" 100.00 148 99.32 100.00 2.01e-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 4.91e-100 PDB 1IQ5 "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" 100.00 149 100.00 100.00 5.13e-100 PDB 1IWQ "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" 100.00 148 100.00 100.00 4.91e-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 4.91e-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 4.42e-97 PDB 1L7Z "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" 100.00 148 100.00 100.00 4.91e-100 PDB 1LIN "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" 100.00 148 100.00 100.00 4.91e-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 5.13e-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 4.91e-100 PDB 1MXE "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" 100.00 148 97.97 99.32 6.77e-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 4.91e-100 PDB 1OOJ "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" 100.00 149 97.97 98.65 1.28e-97 PDB 1PRW "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" 100.00 149 99.32 99.32 4.27e-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 4.91e-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 4.91e-100 PDB 1QX5 "Crystal Structure Of Apocalmodulin" 100.00 148 100.00 100.00 4.91e-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 4.91e-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 4.91e-100 PDB 1SY9 "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" 100.00 148 100.00 100.00 4.91e-100 PDB 1UP5 "Chicken Calmodulin" 100.00 148 99.32 99.32 4.13e-99 PDB 1WRZ "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" 100.00 149 100.00 100.00 5.13e-100 PDB 1X02 "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" 100.00 148 100.00 100.00 4.91e-100 PDB 1XA5 "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" 100.00 148 100.00 100.00 4.91e-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 1.22e-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 1.22e-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 1.22e-99 PDB 1XFY "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 100.00 149 99.32 100.00 1.22e-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 1.22e-99 PDB 1Y0V "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" 97.30 146 100.00 100.00 3.80e-97 PDB 1YR5 "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" 100.00 148 100.00 100.00 4.91e-100 PDB 2BBM "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.97 99.32 6.77e-98 PDB 2BBN "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.97 99.32 6.77e-98 PDB 2BCX "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" 100.00 148 100.00 100.00 4.91e-100 PDB 2BKH "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" 100.00 149 97.97 99.32 5.16e-98 PDB 2BKI "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" 100.00 149 100.00 100.00 5.13e-100 PDB 2DFS "3-D Structure Of Myosin-V Inhibited State" 100.00 148 100.00 100.00 4.91e-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 7.91e-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 7.91e-100 PDB 2F3Y "CalmodulinIQ DOMAIN COMPLEX" 100.00 148 100.00 100.00 4.91e-100 PDB 2F3Z "CalmodulinIQ-Aa Domain Complex" 100.00 148 100.00 100.00 4.91e-100 PDB 2FOT "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" 100.00 148 100.00 100.00 4.91e-100 PDB 2HQW "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" 100.00 148 100.00 100.00 4.91e-100 PDB 2JZI "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" 100.00 148 100.00 100.00 4.91e-100 PDB 2K0E "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" 100.00 148 100.00 100.00 4.91e-100 PDB 2K0F "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" 100.00 148 100.00 100.00 4.91e-100 PDB 2K0J "Solution Structure Of Cam Complexed To Drp1p" 100.00 148 99.32 100.00 3.32e-99 PDB 2K61 "Solution Structure Of Cam Complexed To Dapk Peptide" 100.00 148 99.32 100.00 3.32e-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 4.91e-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 4.91e-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 4.91e-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 4.91e-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 1.07e-98 PDB 2LL6 "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" 100.00 148 100.00 100.00 4.91e-100 PDB 2LL7 "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" 100.00 148 100.00 100.00 4.91e-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 2.65e-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 4.91e-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 4.91e-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 4.91e-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 4.91e-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 4.91e-100 PDB 2O5G "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" 100.00 148 100.00 100.00 4.91e-100 PDB 2O60 "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" 100.00 148 100.00 100.00 4.91e-100 PDB 2R28 "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" 100.00 149 100.00 100.00 5.13e-100 PDB 2V01 "Recombinant Vertebrate Calmodulin Complexed With Pb" 100.00 149 100.00 100.00 5.13e-100 PDB 2V02 "Recombinant Vertebrate Calmodulin Complexed With Ba" 100.00 149 100.00 100.00 5.13e-100 PDB 2VAS "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" 100.00 149 97.97 99.32 5.16e-98 PDB 2VAY "Calmodulin Complexed With Cav1.1 Iq Peptide" 98.65 146 100.00 100.00 1.07e-98 PDB 2VB6 "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)" 100.00 149 97.30 99.32 1.25e-97 PDB 2W73 "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" 100.00 149 100.00 100.00 5.13e-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 4.76e-100 PDB 2X0G "X-ray Structure Of A Dap-kinase Calmodulin Complex" 100.00 148 100.00 100.00 4.91e-100 PDB 2X51 "M6 Delta Insert1" 100.00 149 97.97 99.32 5.16e-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 5.13e-100 PDB 2YGG "Complex Of Cambr And Cam" 100.00 150 100.00 100.00 5.60e-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 4.91e-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 4.91e-100 PDB 3BYA "Structure Of A Calmodulin Complex" 100.00 148 100.00 100.00 4.91e-100 PDB 3CLN "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" 100.00 148 99.32 100.00 2.01e-99 PDB 3DVE "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" 100.00 148 100.00 100.00 4.91e-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 4.91e-100 PDB 3DVK "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" 100.00 148 100.00 100.00 4.91e-100 PDB 3DVM "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" 100.00 148 100.00 100.00 4.91e-100 PDB 3EK4 "Calcium-saturated Gcamp2 Monomer" 99.32 449 100.00 100.00 9.40e-96 PDB 3EK7 "Calcium-Saturated Gcamp2 Dimer" 99.32 449 100.00 100.00 9.40e-96 PDB 3EK8 "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" 99.32 449 100.00 100.00 1.33e-95 PDB 3EKH "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" 99.32 449 99.32 99.32 9.09e-95 PDB 3EVU "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" 99.32 449 100.00 100.00 9.40e-96 PDB 3EVV "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" 99.32 449 100.00 100.00 9.40e-96 PDB 3EWT "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 100.00 100.00 2.06e-100 PDB 3EWV "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 100.00 100.00 2.06e-100 PDB 3G43 "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" 100.00 148 100.00 100.00 4.91e-100 PDB 3GN4 "Myosin Lever Arm" 100.00 149 97.97 99.32 5.16e-98 PDB 3GOF "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" 100.00 148 100.00 100.00 4.91e-100 PDB 3HR4 "Human Inos Reductase And Calmodulin Complex" 100.00 149 100.00 100.00 5.13e-100 PDB 3IF7 "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" 100.00 148 100.00 100.00 4.91e-100 PDB 3J41 "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" 100.00 149 100.00 100.00 5.13e-100 PDB 3L9I "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" 100.00 149 97.97 99.32 5.16e-98 PDB 3O77 "The Structure Of Ca2+ Sensor (Case-16)" 99.32 415 100.00 100.00 4.22e-96 PDB 3O78 "The Structure Of Ca2+ Sensor (Case-12)" 99.32 415 100.00 100.00 4.65e-96 PDB 3OXQ "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" 100.00 149 100.00 100.00 5.13e-100 PDB 3SG2 "Crystal Structure Of Gcamp2-t116v,d381y" 99.32 449 99.32 99.32 1.34e-94 PDB 3SG3 "Crystal Structure Of Gcamp3-d380y" 99.32 449 98.64 99.32 1.70e-93 PDB 3SG4 "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" 100.00 448 97.97 98.65 1.17e-93 PDB 3SG5 "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" 100.00 448 97.97 98.65 9.63e-94 PDB 3SG6 "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" 99.32 450 100.00 100.00 1.20e-95 PDB 3SG7 "Crystal Structure Of Gcamp3-kf(linker 1)" 99.32 448 99.32 100.00 8.02e-95 PDB 3SJQ "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" 100.00 149 100.00 100.00 5.13e-100 PDB 3SUI "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" 100.00 149 100.00 100.00 5.13e-100 PDB 3U0K "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" 99.32 440 98.64 99.32 2.87e-94 PDB 3WFN "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" 100.00 182 100.00 100.00 5.91e-100 PDB 4ANJ "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" 100.00 149 97.97 99.32 5.16e-98 PDB 4BW7 "Calmodulin In Complex With Strontium" 100.00 149 100.00 100.00 5.13e-100 PDB 4BW8 "Calmodulin With Small Bend In Central Helix" 100.00 149 100.00 100.00 5.13e-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 5.13e-100 PDB 4CLN "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" 100.00 148 97.97 99.32 6.77e-98 PDB 4DBP "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" 100.00 149 97.97 99.32 5.16e-98 PDB 4DBQ "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" 100.00 149 97.97 99.32 5.16e-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 5.13e-100 PDB 4DJC "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" 100.00 152 100.00 100.00 3.59e-100 PDB 4E50 "Calmodulin And Ng Peptide Complex" 100.00 185 100.00 100.00 2.67e-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 4.91e-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 5.13e-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 5.13e-100 PDB 4HEX "A Novel Conformation Of Calmodulin" 100.00 156 100.00 100.00 2.20e-100 PDB 4IK1 "High Resolution Structure Of Gcampj At Ph 8.5" 99.32 448 98.64 99.32 1.47e-93 PDB 4IK3 "High Resolution Structure Of Gcamp3 At Ph 8.5" 99.32 448 99.32 100.00 9.53e-95 PDB 4IK4 "High Resolution Structure Of Gcamp3 At Ph 5.0" 99.32 448 99.32 100.00 9.53e-95 PDB 4IK5 "High Resolution Structure Of Delta-rest-gcamp3" 99.32 414 99.32 100.00 3.73e-95 PDB 4IK8 "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" 99.32 448 99.32 100.00 9.53e-95 PDB 4IK9 "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" 99.32 448 99.32 100.00 9.53e-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 5.13e-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 5.13e-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 5.13e-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 5.13e-100 PDB 4L79 "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" 100.00 149 100.00 100.00 5.13e-100 PDB 4LZX "Complex Of Iqcg And Ca2+-free Cam" 100.00 148 100.00 100.00 4.91e-100 PDB 4M1L "Complex Of Iqcg And Ca2+-bound Cam" 100.00 148 100.00 100.00 4.91e-100 PDB 4PJJ "Myosin Vi (md-insert2-cam, Delta-insert1) Post-rigor State - Long Soaking With Po4" 100.00 149 97.30 99.32 1.25e-97 PDB 4Q5U "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" 100.00 149 100.00 100.00 5.13e-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 6.26e-99 PDB 4R8G "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" 100.00 148 100.00 100.00 4.91e-100 PDB 4UMO "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 100.00 100.00 5.13e-100 PDB 4UPU "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" 100.00 148 100.00 100.00 4.91e-100 PDB 4V0C "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 100.00 100.00 5.13e-100 DBJ BAA08302 "calmodulin [Homo sapiens]" 100.00 149 100.00 100.00 5.13e-100 DBJ BAA11896 "calmodulin [Anas platyrhynchos]" 100.00 149 100.00 100.00 5.13e-100 DBJ BAA19786 "calmodulin [Branchiostoma lanceolatum]" 100.00 149 97.97 99.32 5.16e-98 DBJ BAA19787 "calmodulin [Branchiostoma floridae]" 100.00 149 97.97 99.32 5.16e-98 DBJ BAA19788 "calmodulin [Halocynthia roretzi]" 100.00 149 97.97 99.32 5.16e-98 EMBL CAA10601 "calmodulin [Caenorhabditis elegans]" 100.00 149 97.97 98.65 1.28e-97 EMBL CAA32050 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 5.13e-100 EMBL CAA32062 "calmodulin II [Rattus norvegicus]" 100.00 149 100.00 100.00 5.13e-100 EMBL CAA32119 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 5.13e-100 EMBL CAA32120 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 5.13e-100 GB AAA35635 "calmodulin [Homo sapiens]" 100.00 149 100.00 100.00 5.13e-100 GB AAA35641 "calmodulin [Homo sapiens]" 100.00 149 100.00 100.00 5.13e-100 GB AAA37365 "calmodulin synthesis [Mus musculus]" 100.00 149 100.00 100.00 5.13e-100 GB AAA40862 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 5.13e-100 GB AAA40863 "calmodulin [Rattus norvegicus]" 100.00 149 100.00 100.00 5.13e-100 PIR JC1305 "calmodulin - Japanese medaka" 100.00 149 100.00 100.00 5.13e-100 PIR MCON "calmodulin - salmon" 100.00 148 100.00 100.00 4.91e-100 PRF 0409298A "troponin C-like protein" 100.00 148 97.30 100.00 2.53e-98 PRF 0608335A calmodulin 100.00 148 97.97 99.32 3.48e-97 REF NP_001008160 "calmodulin [Xenopus (Silurana) tropicalis]" 100.00 149 100.00 100.00 5.13e-100 REF NP_001009759 "calmodulin [Ovis aries]" 100.00 149 100.00 100.00 5.13e-100 REF NP_001027633 "calmodulin [Ciona intestinalis]" 100.00 149 97.30 98.65 3.34e-97 REF NP_001039714 "calmodulin [Bos taurus]" 100.00 149 100.00 100.00 5.13e-100 REF NP_001040234 "calmodulin [Bombyx mori]" 100.00 149 97.97 99.32 5.16e-98 SP O02367 "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM" 100.00 149 97.30 98.65 3.34e-97 SP O16305 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 97.97 98.65 1.28e-97 SP O96081 "RecName: Full=Calmodulin-B; Short=CaM B" 100.00 149 97.30 98.65 3.76e-97 SP P02594 "RecName: Full=Calmodulin; Short=CaM" 100.00 149 99.32 100.00 1.65e-99 SP P05932 "RecName: Full=Calmodulin-beta; Short=Cam B" 93.24 138 97.10 99.28 5.25e-90 TPG DAA13808 "TPA: calmodulin 2-like [Bos taurus]" 100.00 216 98.65 98.65 2.49e-98 TPG DAA18029 "TPA: calmodulin [Bos taurus]" 100.00 149 98.65 99.32 7.54e-99 TPG DAA19590 "TPA: calmodulin 3 [Bos taurus]" 100.00 149 100.00 100.00 5.13e-100 TPG DAA24777 "TPA: calmodulin 2-like [Bos taurus]" 100.00 149 100.00 100.00 5.13e-100 TPG DAA24988 "TPA: calmodulin 2-like isoform 1 [Bos taurus]" 100.00 149 100.00 100.00 5.13e-100 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1711.044 _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence TFKEVANAVKISASLM loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 153 THR 2 154 PHE 3 155 LYS 4 156 GLU 5 157 VAL 6 158 ALA 7 159 ASN 8 160 ALA 9 161 VAL 10 162 LYS 11 163 ILE 12 164 SER 13 165 ALA 14 166 SER 15 167 LEU 16 168 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15185 eNOSp 100.00 20 100.00 100.00 1.53e+00 PDB 1NIW "Crystal Structure Of Endothelial Nitric Oxide Synthase Peptide Bound To Calmodulin" 100.00 20 100.00 100.00 1.53e+00 DBJ BAA05652 "endothelial nitric oxide synthase [Homo sapiens]" 100.00 1204 100.00 100.00 4.29e+00 DBJ BAD15356 "nitric oxide synthase 3 [Rattus norvegicus]" 100.00 1202 100.00 100.00 4.29e+00 DBJ BAD97356 "nitric oxide synthase 3 (endothelial cell) variant [Homo sapiens]" 100.00 1203 100.00 100.00 4.29e+00 DBJ BAF85617 "unnamed protein product [Homo sapiens]" 100.00 1203 100.00 100.00 4.29e+00 DBJ BAG37648 "unnamed protein product [Homo sapiens]" 100.00 1203 100.00 100.00 4.29e+00 EMBL CAA53950 "endothelial nitric oxide synthase [Homo sapiens]" 100.00 1203 100.00 100.00 4.29e+00 GB AAA30494 "nitric oxide synthase [Bos taurus]" 100.00 1205 100.00 100.00 4.29e+00 GB AAA30667 "nitric oxide synthase [Bos taurus]" 100.00 1205 100.00 100.00 4.29e+00 GB AAA30669 "nitric oxide synthase [Bos taurus]" 100.00 1205 100.00 100.00 4.29e+00 GB AAA36364 "nitric oxide synthase [Homo sapiens]" 100.00 1203 100.00 100.00 4.29e+00 GB AAA36365 "nitric oxide synthase [Homo sapiens]" 100.00 1203 100.00 100.00 4.29e+00 PRF 2011304A "NO synthase" 100.00 1205 100.00 100.00 4.29e+00 REF NP_000594 "nitric oxide synthase, endothelial isoform 1 [Homo sapiens]" 100.00 1203 100.00 100.00 4.29e+00 REF NP_001003158 "nitric oxide synthase, endothelial [Canis lupus familiaris]" 100.00 1205 100.00 100.00 4.29e+00 REF NP_001076202 "nitric oxide synthase, endothelial [Oryctolagus cuniculus]" 100.00 1209 100.00 100.00 4.29e+00 REF NP_001123373 "nitric oxide synthase, endothelial [Ovis aries]" 100.00 1205 100.00 100.00 4.29e+00 REF NP_001153581 "nitric oxide synthase, endothelial isoform 2 [Homo sapiens]" 100.00 596 100.00 100.00 3.82e+00 SP P29473 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1205 100.00 100.00 4.29e+00 SP P29474 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1203 100.00 100.00 4.29e+00 SP P70313 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1202 100.00 100.00 4.29e+00 SP Q28969 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1205 100.00 100.00 4.29e+00 SP Q62600 "RecName: Full=Nitric oxide synthase, endothelial; AltName: Full=Constitutive NOS; Short=cNOS; AltName: Full=EC-NOS; AltName: Fu" 100.00 1202 100.00 100.00 4.29e+00 TPG DAA30266 "TPA: nitric oxide synthase, endothelial [Bos taurus]" 100.00 1205 100.00 100.00 4.29e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . pET28a $entity_2 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' $entity_2 1 mM 'natural abundance' KCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 HNCA' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP H H 8.506 0.020 1 2 2 2 ASP HA H 4.585 0.020 1 3 2 2 ASP CA C 51.960 0.3 1 4 2 2 ASP N N 120.378 0.3 1 5 3 3 GLN H H 8.208 0.020 1 6 3 3 GLN HA H 4.212 0.020 1 7 3 3 GLN HB2 H 2.209 0.020 1 8 3 3 GLN HB3 H 2.209 0.020 1 9 3 3 GLN CA C 52.735 0.3 1 10 3 3 GLN CB C 31.074 0.3 1 11 3 3 GLN CG C 35.178 0.3 1 12 3 3 GLN N N 119.707 0.3 1 13 4 4 LEU H H 8.181 0.020 1 14 4 4 LEU HA H 4.140 0.020 1 15 4 4 LEU HB2 H 1.725 0.020 1 16 4 4 LEU HB3 H 1.725 0.020 1 17 4 4 LEU HG H 0.625 0.020 1 18 4 4 LEU HD1 H 0.537 0.020 1 19 4 4 LEU HD2 H 0.537 0.020 1 20 4 4 LEU CA C 51.658 0.3 1 21 4 4 LEU CB C 39.624 0.3 1 22 4 4 LEU CG C 23.322 0.3 1 23 4 4 LEU CD1 C 20.016 0.3 1 24 4 4 LEU N N 123.069 0.3 1 25 5 5 THR H H 8.607 0.020 1 26 5 5 THR HA H 4.322 0.020 1 27 5 5 THR HB H 4.601 0.020 1 28 5 5 THR HG2 H 1.169 0.020 1 29 5 5 THR CA C 57.687 0.3 1 30 5 5 THR CB C 68.580 0.3 1 31 5 5 THR CG2 C 18.990 0.3 1 32 5 5 THR N N 112.909 0.3 1 33 6 6 GLU H H 8.877 0.020 1 34 6 6 GLU HA H 3.825 0.020 1 35 6 6 GLU HB2 H 1.880 0.020 1 36 6 6 GLU HB3 H 1.880 0.020 1 37 6 6 GLU HG2 H 2.219 0.020 1 38 6 6 GLU HG3 H 2.219 0.020 1 39 6 6 GLU CA C 57.247 0.3 1 40 6 6 GLU CB C 29.136 0.3 1 41 6 6 GLU CG C 33.696 0.3 1 42 6 6 GLU N N 120.224 0.3 1 43 7 7 GLU H H 8.524 0.020 1 44 7 7 GLU HA H 3.917 0.020 1 45 7 7 GLU HB2 H 1.908 0.020 1 46 7 7 GLU HB3 H 1.908 0.020 1 47 7 7 GLU HG2 H 2.201 0.020 1 48 7 7 GLU HG3 H 2.201 0.020 1 49 7 7 GLU CA C 57.198 0.3 1 50 7 7 GLU CB C 26.274 0.3 1 51 7 7 GLU CG C 33.696 0.3 1 52 7 7 GLU N N 119.350 0.3 1 53 8 8 GLN H H 7.603 0.020 1 54 8 8 GLN HA H 3.903 0.020 1 55 8 8 GLN HB2 H 1.908 0.020 1 56 8 8 GLN HB3 H 1.908 0.020 1 57 8 8 GLN HG2 H 2.201 0.020 1 58 8 8 GLN HG3 H 2.201 0.020 1 59 8 8 GLN CA C 55.976 0.3 1 60 8 8 GLN CB C 26.400 0.3 1 61 8 8 GLN CG C 33.582 0.3 1 62 8 8 GLN N N 119.917 0.3 1 63 9 9 ILE H H 8.260 0.020 1 64 9 9 ILE HA H 3.639 0.020 1 65 9 9 ILE HB H 1.801 0.020 1 66 9 9 ILE HG12 H 0.943 0.020 1 67 9 9 ILE HG13 H 0.943 0.020 1 68 9 9 ILE HD1 H 0.708 0.020 1 69 9 9 ILE CA C 63.796 0.3 1 70 9 9 ILE CB C 35.178 0.3 1 71 9 9 ILE CG1 C 27.540 0.3 1 72 9 9 ILE CG2 C 14.772 0.3 1 73 9 9 ILE CD1 C 10.440 0.3 1 74 9 9 ILE N N 119.503 0.3 1 75 10 10 ALA H H 7.840 0.020 1 76 10 10 ALA HA H 3.961 0.020 1 77 10 10 ALA HB H 1.365 0.020 1 78 10 10 ALA CA C 52.702 0.3 1 79 10 10 ALA CB C 15.114 0.3 1 80 10 10 ALA N N 121.044 0.3 1 81 11 11 GLU H H 7.635 0.020 1 82 11 11 GLU HA H 3.908 0.020 1 83 11 11 GLU HB2 H 1.899 0.020 1 84 11 11 GLU HB3 H 1.899 0.020 1 85 11 11 GLU HG2 H 2.213 0.020 1 86 11 11 GLU HG3 H 2.213 0.020 1 87 11 11 GLU CA C 56.563 0.3 1 88 11 11 GLU CB C 26.400 0.3 1 89 11 11 GLU CG C 33.468 0.3 1 90 11 11 GLU N N 119.113 0.3 1 91 12 12 PHE H H 8.441 0.020 1 92 12 12 PHE HA H 4.786 0.020 1 93 12 12 PHE HB2 H 3.311 0.020 1 94 12 12 PHE CA C 56.954 0.3 1 95 12 12 PHE CB C 35.064 0.3 1 96 12 12 PHE N N 119.574 0.3 1 97 13 13 LYS H H 9.103 0.020 1 98 13 13 LYS HA H 3.903 0.020 1 99 13 13 LYS HB2 H 1.727 0.020 1 100 13 13 LYS HB3 H 1.727 0.020 1 101 13 13 LYS HG2 H 1.919 0.020 1 102 13 13 LYS HG3 H 1.919 0.020 1 103 13 13 LYS CA C 57.296 0.3 1 104 13 13 LYS CB C 29.592 0.3 1 105 13 13 LYS CG C 25.830 0.3 1 106 13 13 LYS CD C 33.696 0.3 1 107 13 13 LYS N N 123.454 0.3 1 108 14 14 GLU H H 7.667 0.020 1 109 14 14 GLU HA H 3.911 0.020 1 110 14 14 GLU HB2 H 1.908 0.020 1 111 14 14 GLU HB3 H 1.908 0.020 1 112 14 14 GLU HG2 H 2.186 0.020 1 113 14 14 GLU HG3 H 2.186 0.020 1 114 14 14 GLU CA C 56.465 0.3 1 115 14 14 GLU CB C 26.502 0.3 1 116 14 14 GLU CG C 33.584 0.3 1 117 14 14 GLU N N 119.525 0.3 1 118 15 15 ALA H H 7.816 0.020 1 119 15 15 ALA HA H 3.961 0.020 1 120 15 15 ALA HB H 1.366 0.020 1 121 15 15 ALA CA C 52.751 0.3 1 122 15 15 ALA CB C 15.228 0.3 1 123 15 15 ALA N N 121.983 0.3 1 124 16 16 PHE H H 8.764 0.020 1 125 16 16 PHE HA H 3.095 0.020 1 126 16 16 PHE HB2 H 2.771 0.020 1 127 16 16 PHE HB3 H 2.771 0.020 1 128 16 16 PHE HD1 H 6.477 0.020 1 129 16 16 PHE HD2 H 6.477 0.020 1 130 16 16 PHE HE1 H 6.903 0.020 1 131 16 16 PHE HE2 H 6.903 0.020 1 132 16 16 PHE HZ H 7.035 0.020 1 133 16 16 PHE CA C 59.544 0.3 1 134 16 16 PHE CB C 36.774 0.3 1 135 16 16 PHE N N 118.874 0.3 1 136 17 17 SER H H 7.825 0.020 1 137 17 17 SER HA H 3.979 0.020 1 138 17 17 SER HB2 H 3.883 0.020 1 139 17 17 SER HB3 H 3.883 0.020 1 140 17 17 SER CA C 58.567 0.3 1 141 17 17 SER CB C 60.600 0.3 1 142 17 17 SER N N 111.578 0.3 1 143 18 18 LEU H H 7.240 0.020 1 144 18 18 LEU HA H 3.947 0.020 1 145 18 18 LEU HB2 H 1.931 0.020 1 146 18 18 LEU HB3 H 1.931 0.020 1 147 18 18 LEU HG H 1.679 0.020 1 148 18 18 LEU HD1 H 0.683 0.020 1 149 18 18 LEU HD2 H 1.103 0.020 1 150 18 18 LEU CA C 54.608 0.3 1 151 18 18 LEU CB C 39.638 0.3 1 152 18 18 LEU CG C 26.388 0.3 1 153 18 18 LEU CD1 C 21.819 0.3 1 154 18 18 LEU N N 121.167 0.3 1 155 19 19 PHE H H 7.090 0.020 1 156 19 19 PHE HA H 3.911 0.020 1 157 19 19 PHE HB2 H 2.218 0.020 1 158 19 19 PHE HB3 H 2.218 0.020 1 159 19 19 PHE HD1 H 6.977 0.020 1 160 19 19 PHE HD2 H 6.977 0.020 1 161 19 19 PHE CA C 57.247 0.3 1 162 19 19 PHE CB C 33.810 0.3 1 163 19 19 PHE N N 114.405 0.3 1 164 20 20 ASP H H 7.662 0.020 1 165 20 20 ASP HA H 4.476 0.020 1 166 20 20 ASP HB2 H 2.509 0.020 1 167 20 20 ASP HB3 H 2.509 0.020 1 168 20 20 ASP CA C 49.476 0.3 1 169 20 20 ASP CB C 36.782 0.3 1 170 20 20 ASP N N 115.823 0.3 1 171 21 21 LYS H H 7.539 0.020 1 172 21 21 LYS HA H 3.786 0.020 1 173 21 21 LYS HB2 H 1.688 0.020 1 174 21 21 LYS HB3 H 1.688 0.020 1 175 21 21 LYS HG2 H 1.369 0.020 2 176 21 21 LYS HG3 H 1.283 0.020 2 177 21 21 LYS HD2 H 1.560 0.020 1 178 21 21 LYS HD3 H 1.560 0.020 1 179 21 21 LYS HE2 H 2.881 0.020 1 180 21 21 LYS HE3 H 2.881 0.020 1 181 21 21 LYS CA C 56.025 0.3 1 182 21 21 LYS CB C 29.700 0.3 1 183 21 21 LYS CG C 21.476 0.3 1 184 21 21 LYS CD C 25.702 0.3 1 185 21 21 LYS N N 124.906 0.3 1 186 22 22 ASP H H 7.965 0.020 1 187 22 22 ASP HA H 4.431 0.020 1 188 22 22 ASP HB2 H 2.495 0.020 1 189 22 22 ASP HB3 H 2.943 0.020 2 190 22 22 ASP CA C 49.965 0.3 1 191 22 22 ASP CB C 36.774 0.3 1 192 22 22 ASP N N 113.550 0.3 1 193 23 23 GLY H H 7.606 0.020 1 194 23 23 GLY HA2 H 3.712 0.020 1 195 23 23 GLY HA3 H 3.712 0.020 1 196 23 23 GLY CA C 44.442 0.3 1 197 23 23 GLY N N 109.354 0.3 1 198 24 24 ASP H H 8.266 0.020 1 199 24 24 ASP HA H 4.355 0.020 1 200 24 24 ASP HB2 H 2.905 0.020 1 201 24 24 ASP HB3 H 2.905 0.020 2 202 24 24 ASP CA C 51.040 0.3 1 203 24 24 ASP CB C 37.686 0.3 1 204 24 24 ASP N N 120.643 0.3 1 205 25 25 GLY H H 10.545 0.020 1 206 25 25 GLY HA2 H 3.551 0.020 1 207 25 25 GLY HA3 H 3.551 0.020 2 208 25 25 GLY CA C 42.683 0.3 1 209 25 25 GLY N N 113.205 0.3 1 210 26 26 THR H H 8.020 0.020 1 211 26 26 THR HA H 5.170 0.020 1 212 26 26 THR HB H 3.688 0.020 1 213 26 26 THR HG2 H 0.876 0.020 1 214 26 26 THR CA C 56.954 0.3 1 215 26 26 THR CB C 69.948 0.3 1 216 26 26 THR CG2 C 18.990 0.3 1 217 26 26 THR N N 112.852 0.3 1 218 27 27 ILE H H 9.689 0.020 1 219 27 27 ILE HA H 3.827 0.020 1 220 27 27 ILE HB H 1.883 0.020 1 221 27 27 ILE HG12 H 0.707 0.020 1 222 27 27 ILE HG13 H 0.707 0.020 1 223 27 27 ILE HD1 H 0.558 0.020 1 224 27 27 ILE CA C 57.931 0.3 1 225 27 27 ILE CB C 37.230 0.3 1 226 27 27 ILE CG1 C 24.120 0.3 1 227 27 27 ILE CG2 C 15.342 0.3 1 228 27 27 ILE CD1 C 12.948 0.3 1 229 27 27 ILE N N 127.005 0.3 1 230 28 28 THR H H 8.275 0.020 1 231 28 28 THR HA H 4.642 0.020 1 232 28 28 THR HB H 4.654 0.020 1 233 28 28 THR HG2 H 1.175 0.020 1 234 28 28 THR CA C 56.612 0.3 1 235 28 28 THR CB C 69.606 0.3 1 236 28 28 THR CG2 C 19.560 0.3 1 237 28 28 THR N N 116.439 0.3 1 238 29 29 THR H H 9.054 0.020 1 239 29 29 THR HA H 3.635 0.020 1 240 29 29 THR HB H 4.049 0.020 1 241 29 29 THR HG2 H 1.115 0.020 1 242 29 29 THR CA C 63.845 0.3 1 243 29 29 THR CB C 65.616 0.3 1 244 29 29 THR CG2 C 20.472 0.3 1 245 29 29 THR N N 113.287 0.3 1 246 30 30 LYS H H 7.578 0.020 1 247 30 30 LYS HA H 3.903 0.020 1 248 30 30 LYS HB2 H 1.702 0.020 1 249 30 30 LYS HB3 H 1.702 0.020 1 250 30 30 LYS HG2 H 1.350 0.020 1 251 30 30 LYS HG3 H 1.350 0.020 1 252 30 30 LYS HD2 H 1.922 0.020 1 253 30 30 LYS HD3 H 1.922 0.020 1 254 30 30 LYS CA C 56.465 0.3 1 255 30 30 LYS CB C 29.700 0.3 1 256 30 30 LYS CG C 21.705 0.3 1 257 30 30 LYS CD C 25.931 0.3 1 258 30 30 LYS N N 121.230 0.3 1 259 31 31 GLU H H 7.712 0.020 1 260 31 31 GLU HA H 3.863 0.020 1 261 31 31 GLU HB2 H 1.920 0.020 1 262 31 31 GLU HB3 H 1.920 0.020 1 263 31 31 GLU HG2 H 2.175 0.020 1 264 31 31 GLU HG3 H 2.175 0.020 1 265 31 31 GLU CA C 57.149 0.3 1 266 31 31 GLU CB C 26.058 0.3 1 267 31 31 GLU CG C 33.696 0.3 1 268 31 31 GLU N N 122.002 0.3 1 269 32 32 LEU H H 8.509 0.020 1 270 32 32 LEU HA H 3.925 0.020 1 271 32 32 LEU HB2 H 1.937 0.020 1 272 32 32 LEU HB3 H 1.937 0.020 1 273 32 32 LEU HG H 1.643 0.020 1 274 32 32 LEU HD1 H 0.659 0.020 1 275 32 32 LEU HD2 H 1.101 0.020 1 276 32 32 LEU CA C 55.529 0.3 1 277 32 32 LEU CB C 39.981 0.3 1 278 32 32 LEU CG C 23.418 0.3 1 279 32 32 LEU CD1 C 21.133 0.3 1 280 32 32 LEU N N 119.130 0.3 1 281 33 33 GLY H H 8.388 0.020 1 282 33 33 GLY HA2 H 3.844 0.020 1 283 33 33 GLY HA3 H 3.433 0.020 2 284 33 33 GLY CA C 45.664 0.3 1 285 33 33 GLY N N 103.747 0.3 1 286 34 34 THR H H 7.935 0.020 1 287 34 34 THR HA H 3.795 0.020 1 288 34 34 THR HB H 4.167 0.020 1 289 34 34 THR HG2 H 1.124 0.020 1 290 34 34 THR CA C 64.285 0.3 1 291 34 34 THR CB C 66.186 0.3 1 292 34 34 THR CG2 C 18.648 0.3 1 293 34 34 THR N N 117.487 0.3 1 294 35 35 VAL H H 7.089 0.020 1 295 35 35 VAL N N 120.287 0.3 1 296 36 36 MET H H 8.318 0.020 1 297 36 36 MET HA H 3.911 0.020 1 298 36 36 MET HB2 H 1.715 0.020 1 299 36 36 MET HB3 H 1.715 0.020 1 300 36 36 MET HG2 H 1.883 0.020 1 301 36 36 MET HG3 H 1.883 0.020 1 302 36 36 MET CA C 57.101 0.3 1 303 36 36 MET CB C 29.929 0.3 1 304 36 36 MET N N 117.816 0.3 1 305 37 37 ARG H H 8.233 0.020 1 306 37 37 ARG HA H 4.698 0.020 1 307 37 37 ARG HB2 H 1.776 0.020 1 308 37 37 ARG HB3 H 1.776 0.020 1 309 37 37 ARG HG2 H 1.846 0.020 1 310 37 37 ARG HG3 H 1.846 0.020 1 311 37 37 ARG CA C 56.172 0.3 1 312 37 37 ARG CB C 27.084 0.3 1 313 37 37 ARG CG C 25.488 0.3 1 314 37 37 ARG CD C 40.878 0.3 1 315 37 37 ARG N N 117.706 0.3 1 316 38 38 SER H H 7.874 0.020 1 317 38 38 SER HA H 4.187 0.020 1 318 38 38 SER HB2 H 4.072 0.020 1 319 38 38 SER HB3 H 4.072 0.020 1 320 38 38 SER CA C 59.251 0.3 1 321 38 38 SER CB C 67.782 0.3 1 322 38 38 SER N N 118.974 0.3 1 323 39 39 LEU H H 7.248 0.020 1 324 39 39 LEU HA H 4.139 0.020 1 325 39 39 LEU HB2 H 1.746 0.020 1 326 39 39 LEU HB3 H 1.746 0.020 1 327 39 39 LEU HG H 1.658 0.020 1 328 39 39 LEU HD1 H 0.517 0.020 1 329 39 39 LEU HD2 H 0.529 0.020 1 330 39 39 LEU CA C 51.333 0.3 1 331 39 39 LEU CB C 39.638 0.3 1 332 39 39 LEU CG C 23.190 0.3 1 333 39 39 LEU CD1 C 20.791 0.3 1 334 39 39 LEU N N 118.835 0.3 1 335 40 40 GLY H H 7.471 0.020 1 336 40 40 GLY HA2 H 4.093 0.020 1 337 40 40 GLY HA3 H 4.093 0.020 2 338 40 40 GLY CA C 42.878 0.3 1 339 40 40 GLY N N 104.990 0.3 1 340 41 41 GLN H H 7.860 0.020 1 341 41 41 GLN HA H 4.370 0.020 1 342 41 41 GLN HB2 H 2.507 0.020 1 343 41 41 GLN HB3 H 2.507 0.020 1 344 41 41 GLN HG2 H 2.935 0.020 1 345 41 41 GLN HG3 H 2.935 0.020 1 346 41 41 GLN CA C 51.187 0.3 1 347 41 41 GLN CB C 30.618 0.3 1 348 41 41 GLN CG C 37.116 0.3 1 349 41 41 GLN N N 118.032 0.3 1 350 42 42 ASN H H 8.561 0.020 1 351 42 42 ASN HA H 5.094 0.020 1 352 42 42 ASN HB2 H 2.348 0.020 1 353 42 42 ASN HB3 H 2.348 0.020 2 354 42 42 ASN CA C 48.694 0.3 1 355 42 42 ASN CB C 36.554 0.3 1 356 42 42 ASN N N 115.671 0.3 1 357 43 43 PRO HA H 4.711 0.020 1 358 43 43 PRO HD2 H 3.448 0.020 1 359 44 44 THR H H 8.882 0.020 1 360 44 44 THR HA H 4.321 0.020 1 361 44 44 THR HB H 4.595 0.020 1 362 44 44 THR HG2 H 1.162 0.020 1 363 44 44 THR CA C 57.638 0.3 1 364 44 44 THR CB C 68.466 0.3 1 365 44 44 THR CG2 C 18.990 0.3 1 366 44 44 THR N N 113.509 0.3 1 367 45 45 GLU H H 8.662 0.020 1 368 45 45 GLU HA H 3.880 0.020 1 369 45 45 GLU HB2 H 1.893 0.020 1 370 45 45 GLU HB3 H 1.893 0.020 1 371 45 45 GLU HG2 H 2.175 0.020 1 372 45 45 GLU HG3 H 2.175 0.020 1 373 45 45 GLU CA C 57.101 0.3 1 374 45 45 GLU CB C 26.274 0.3 1 375 45 45 GLU CG C 33.696 0.3 1 376 45 45 GLU N N 120.506 0.3 1 377 46 46 ALA H H 8.139 0.020 1 378 46 46 ALA HA H 3.925 0.020 1 379 46 46 ALA HB H 1.260 0.020 1 380 46 46 ALA CA C 52.311 0.3 1 381 46 46 ALA CB C 15.080 0.3 1 382 46 46 ALA N N 120.586 0.3 1 383 47 47 GLU H H 7.597 0.020 1 384 47 47 GLU HA H 3.876 0.020 1 385 47 47 GLU HB2 H 1.908 0.020 1 386 47 47 GLU HB3 H 1.908 0.020 1 387 47 47 GLU HG2 H 2.189 0.020 1 388 47 47 GLU HG3 H 2.189 0.020 1 389 47 47 GLU CA C 56.270 0.3 1 390 47 47 GLU CB C 26.286 0.3 1 391 47 47 GLU CG C 33.468 0.3 1 392 47 47 GLU N N 118.171 0.3 1 393 48 48 LEU H H 7.848 0.020 1 394 48 48 LEU HA H 3.927 0.020 1 395 48 48 LEU HB2 H 1.937 0.020 1 396 48 48 LEU HB3 H 1.937 0.020 1 397 48 48 LEU HG H 1.629 0.020 1 398 48 48 LEU HD1 H 0.763 0.020 1 399 48 48 LEU HD2 H 1.086 0.020 1 400 48 48 LEU CA C 55.048 0.3 1 401 48 48 LEU CB C 39.981 0.3 1 402 48 48 LEU CG C 23.532 0.3 1 403 48 48 LEU CD1 C 20.562 0.3 1 404 48 48 LEU N N 120.228 0.3 1 405 49 49 GLN H H 8.037 0.020 1 406 49 49 GLN HA H 3.901 0.020 1 407 49 49 GLN HB2 H 1.978 0.020 1 408 49 49 GLN HB3 H 1.978 0.020 1 409 49 49 GLN HG2 H 2.219 0.020 1 410 49 49 GLN HG3 H 2.219 0.020 1 411 49 49 GLN CA C 55.732 0.3 1 412 49 49 GLN CB C 27.882 0.3 1 413 49 49 GLN CG C 33.354 0.3 1 414 49 49 GLN N N 117.910 0.3 1 415 50 50 ASP H H 8.010 0.020 1 416 50 50 ASP HA H 4.157 0.020 1 417 50 50 ASP HB2 H 2.517 0.020 1 418 50 50 ASP HB3 H 2.517 0.020 1 419 50 50 ASP CA C 54.706 0.3 1 420 50 50 ASP CB C 37.572 0.3 1 421 50 50 ASP N N 119.284 0.3 1 422 51 51 MET H H 7.614 0.020 1 423 51 51 MET HA H 3.923 0.020 1 424 51 51 MET HB2 H 1.728 0.020 1 425 51 51 MET HB3 H 1.728 0.020 1 426 51 51 MET CA C 56.563 0.3 1 427 51 51 MET CB C 29.478 0.3 1 428 51 51 MET N N 119.245 0.3 1 429 52 52 ILE H H 7.514 0.020 1 430 52 52 ILE HA H 3.328 0.020 1 431 52 52 ILE HB H 1.786 0.020 1 432 52 52 ILE HG12 H 0.905 0.020 1 433 52 52 ILE HG13 H 0.905 0.020 1 434 52 52 ILE HG2 H 0.557 0.020 1 435 52 52 ILE HD1 H 0.554 0.020 1 436 52 52 ILE CA C 61.890 0.3 1 437 52 52 ILE CB C 34.494 0.3 1 438 52 52 ILE CG1 C 26.058 0.3 1 439 52 52 ILE CG2 C 13.518 0.3 1 440 52 52 ILE CD1 C 9.984 0.3 1 441 52 52 ILE N N 117.584 0.3 1 442 53 53 ASN H H 8.418 0.020 1 443 53 53 ASN HA H 4.222 0.020 1 444 53 53 ASN HB2 H 2.832 0.020 1 445 53 53 ASN HB3 H 2.832 0.020 1 446 53 53 ASN CA C 53.093 0.3 1 447 53 53 ASN CB C 35.292 0.3 1 448 53 53 ASN N N 117.126 0.3 1 449 54 54 GLU H H 7.466 0.020 1 450 54 54 GLU HA H 3.903 0.020 1 451 54 54 GLU HB2 H 1.908 0.020 1 452 54 54 GLU HB3 H 1.908 0.020 1 453 54 54 GLU HG2 H 2.216 0.020 1 454 54 54 GLU HG3 H 2.216 0.020 1 455 54 54 GLU CA C 56.123 0.3 1 456 54 54 GLU CB C 26.400 0.3 1 457 54 54 GLU CG C 33.582 0.3 1 458 54 54 GLU N N 116.380 0.3 1 459 55 55 VAL H H 7.044 0.020 1 460 55 55 VAL HA H 4.314 0.020 1 461 55 55 VAL HB H 2.216 0.020 1 462 55 55 VAL HG1 H 1.159 0.020 1 463 55 55 VAL HG2 H 0.778 0.020 1 464 55 55 VAL CA C 58.176 0.3 1 465 55 55 VAL CB C 30.162 0.3 1 466 55 55 VAL CG1 C 18.990 0.3 1 467 55 55 VAL CG2 C 16.824 0.3 1 468 55 55 VAL N N 108.622 0.3 1 469 56 56 ASP H H 7.561 0.020 1 470 56 56 ASP HA H 4.390 0.020 1 471 56 56 ASP HB2 H 2.943 0.020 1 472 56 56 ASP HB3 H 2.503 0.020 2 473 56 56 ASP CA C 50.991 0.3 1 474 56 56 ASP CB C 36.896 0.3 1 475 56 56 ASP N N 121.430 0.3 1 476 57 57 ALA H H 8.357 0.020 1 477 57 57 ALA HA H 4.053 0.020 1 478 57 57 ALA HB H 1.369 0.020 1 479 57 57 ALA CA C 51.480 0.3 1 480 57 57 ALA CB C 16.793 0.3 1 481 57 57 ALA N N 131.840 0.3 1 482 58 58 ASP H H 7.985 0.020 1 483 58 58 ASP HA H 4.490 0.020 1 484 58 58 ASP HB2 H 2.921 0.020 1 485 58 58 ASP HB3 H 2.517 0.020 2 486 58 58 ASP CA C 49.916 0.3 1 487 58 58 ASP CB C 36.774 0.3 1 488 58 58 ASP N N 113.565 0.3 1 489 59 59 GLY H H 7.424 0.020 1 490 59 59 GLY HA2 H 3.727 0.020 1 491 59 59 GLY HA3 H 3.727 0.020 1 492 59 59 GLY CA C 44.491 0.3 1 493 59 59 GLY N N 108.187 0.3 1 494 60 60 ASN H H 7.919 0.020 1 495 60 60 ASN HA H 4.446 0.020 1 496 60 60 ASN HB2 H 2.517 0.020 1 497 60 60 ASN HB3 H 2.517 0.020 2 498 60 60 ASN CA C 49.769 0.3 1 499 60 60 ASN CB C 36.554 0.3 1 500 60 60 ASN N N 118.065 0.3 1 501 61 61 GLY H H 10.485 0.020 1 502 61 61 GLY HA2 H 4.020 0.020 1 503 61 61 GLY HA3 H 4.020 0.020 2 504 61 61 GLY CA C 42.878 0.3 1 505 61 61 GLY N N 113.247 0.3 1 506 62 62 THR H H 7.511 0.020 1 507 62 62 THR HA H 4.580 0.020 1 508 62 62 THR HB H 3.788 0.020 1 509 62 62 THR HG2 H 0.948 0.020 1 510 62 62 THR CA C 56.661 0.3 1 511 62 62 THR N N 108.699 0.3 1 512 63 63 ILE H H 8.741 0.020 1 513 63 63 ILE HA H 5.054 0.020 1 514 63 63 ILE HB H 1.893 0.020 1 515 63 63 ILE HG12 H 0.631 0.020 1 516 63 63 ILE HG13 H 0.631 0.020 1 517 63 63 ILE HG2 H 1.071 0.020 1 518 63 63 ILE HD1 H 0.705 0.020 1 519 63 63 ILE CA C 57.101 0.3 1 520 63 63 ILE CB C 37.344 0.3 1 521 63 63 ILE CG1 C 24.462 0.3 1 522 63 63 ILE CG2 C 15.684 0.3 1 523 63 63 ILE CD1 C 10.554 0.3 1 524 63 63 ILE N N 122.834 0.3 1 525 64 64 ASP H H 8.702 0.020 1 526 64 64 ASP HA H 5.238 0.020 1 527 64 64 ASP HB2 H 2.626 0.020 1 528 64 64 ASP HB3 H 2.945 0.020 2 529 64 64 ASP CA C 49.378 0.3 1 530 64 64 ASP CB C 36.782 0.3 1 531 64 64 ASP N N 127.818 0.3 1 532 65 65 PHE H H 8.847 0.020 1 533 65 65 PHE HA H 3.861 0.020 1 534 65 65 PHE HB2 H 2.216 0.020 1 535 65 65 PHE HB3 H 2.216 0.020 1 536 65 65 PHE HD1 H 6.590 0.020 1 537 65 65 PHE HD2 H 6.590 0.020 1 538 65 65 PHE HZ H 7.035 0.020 1 539 65 65 PHE CA C 60.717 0.3 1 540 65 65 PHE CB C 33.126 0.3 1 541 65 65 PHE N N 118.653 0.3 1 542 67 67 GLU H H 7.940 0.020 1 543 67 67 GLU HA H 3.903 0.020 1 544 67 67 GLU HB2 H 1.908 0.020 1 545 67 67 GLU HB3 H 1.908 0.020 1 546 67 67 GLU HG2 H 2.216 0.020 1 547 67 67 GLU HG3 H 2.216 0.020 1 548 67 67 GLU CA C 56.337 0.3 1 549 67 67 GLU CB C 26.045 0.3 1 550 67 67 GLU CG C 33.470 0.3 1 551 67 67 GLU N N 117.631 0.3 1 552 68 68 PHE H H 8.757 0.020 1 553 68 68 PHE HA H 3.840 0.020 1 554 68 68 PHE HB2 H 3.081 0.020 1 555 68 68 PHE HB3 H 3.081 0.020 1 556 68 68 PHE HD1 H 6.844 0.020 1 557 68 68 PHE HD2 H 6.844 0.020 1 558 68 68 PHE HE1 H 6.502 0.020 1 559 68 68 PHE HE2 H 6.502 0.020 1 560 68 68 PHE HZ H 7.001 0.020 1 561 68 68 PHE CA C 58.727 0.3 1 562 68 68 PHE CB C 37.572 0.3 1 563 68 68 PHE N N 123.289 0.3 1 564 69 69 LEU H H 8.403 0.020 1 565 69 69 LEU HA H 3.245 0.020 1 566 69 69 LEU HB2 H 1.361 0.020 1 567 69 69 LEU HB3 H 1.361 0.020 1 568 69 69 LEU HG H 0.881 0.020 1 569 69 69 LEU HD1 H 0.514 0.020 1 570 69 69 LEU CA C 55.158 0.3 1 571 69 69 LEU CB C 38.256 0.3 1 572 69 69 LEU CG C 22.752 0.3 1 573 69 69 LEU CD1 C 21.270 0.3 1 574 69 69 LEU CD2 C 22.752 0.3 1 575 69 69 LEU N N 118.867 0.3 1 576 70 70 THR H H 7.540 0.020 1 577 70 70 THR HA H 3.624 0.020 1 578 70 70 THR HB H 4.168 0.020 1 579 70 70 THR HG2 H 1.068 0.020 1 580 70 70 THR CA C 63.843 0.3 1 581 70 70 THR CB C 65.502 0.3 1 582 70 70 THR CG2 C 19.192 0.3 1 583 70 70 THR N N 116.302 0.3 1 584 71 71 MET H H 7.723 0.020 1 585 71 71 MET HA H 3.903 0.020 1 586 71 71 MET HB2 H 1.707 0.020 1 587 71 71 MET HB3 H 1.707 0.020 1 588 71 71 MET HG2 H 2.197 0.020 1 589 71 71 MET HG3 H 2.197 0.020 1 590 71 71 MET CA C 56.303 0.3 1 591 71 71 MET CB C 29.706 0.3 1 592 71 71 MET N N 121.710 0.3 1 593 72 72 MET H H 7.982 0.020 1 594 72 72 MET HA H 3.773 0.020 1 595 72 72 MET HB2 H 1.291 0.020 1 596 72 72 MET HB3 H 1.291 0.020 1 597 72 72 MET HG2 H 1.732 0.020 1 598 72 72 MET HG3 H 1.732 0.020 1 599 72 72 MET CA C 53.307 0.3 1 600 72 72 MET CB C 28.787 0.3 1 601 72 72 MET CG C 28.787 0.3 1 602 72 72 MET CE C 15.194 0.3 1 603 72 72 MET N N 116.535 0.3 1 604 73 73 ALA H H 8.074 0.020 1 605 73 73 ALA HA H 3.880 0.020 1 606 73 73 ALA HB H 1.252 0.020 1 607 73 73 ALA CA C 52.095 0.3 1 608 73 73 ALA CB C 15.342 0.3 1 609 73 73 ALA N N 121.584 0.3 1 610 74 74 ARG H H 7.358 0.020 1 611 74 74 ARG HA H 3.903 0.020 1 612 74 74 ARG HB2 H 1.805 0.020 1 613 74 74 ARG HB3 H 1.805 0.020 1 614 74 74 ARG HG2 H 2.201 0.020 1 615 74 74 ARG HG3 H 2.201 0.020 1 616 74 74 ARG HD2 H 3.067 0.020 1 617 74 74 ARG HD3 H 3.067 0.020 1 618 74 74 ARG CA C 55.731 0.3 1 619 74 74 ARG CB C 27.987 0.3 1 620 74 74 ARG N N 115.784 0.3 1 621 75 75 LYS H H 7.640 0.020 1 622 75 75 LYS HA H 3.949 0.020 1 623 75 75 LYS HB2 H 2.230 0.020 1 624 75 75 LYS HB3 H 2.230 0.020 1 625 75 75 LYS HG2 H 1.335 0.020 1 626 75 75 LYS HG3 H 1.335 0.020 1 627 75 75 LYS HD2 H 1.658 0.020 1 628 75 75 LYS HD3 H 1.658 0.020 1 629 75 75 LYS HE2 H 2.832 0.020 1 630 75 75 LYS HE3 H 2.832 0.020 1 631 75 75 LYS CA C 53.947 0.3 1 632 75 75 LYS CB C 26.400 0.3 1 633 75 75 LYS CG C 22.068 0.3 1 634 75 75 LYS CD C 30.960 0.3 1 635 75 75 LYS CE C 39.738 0.3 1 636 75 75 LYS N N 117.245 0.3 1 637 76 76 MET H H 7.794 0.020 1 638 76 76 MET HA H 4.242 0.020 1 639 76 76 MET HB2 H 2.027 0.020 1 640 76 76 MET HB3 H 2.027 0.020 1 641 76 76 MET HG2 H 2.591 0.020 1 642 76 76 MET HG3 H 2.591 0.020 1 643 76 76 MET CA C 53.947 0.3 1 644 76 76 MET CB C 29.478 0.3 1 645 76 76 MET CG C 29.815 0.3 1 646 76 76 MET N N 117.971 0.3 1 647 77 77 LYS H H 7.622 0.020 1 648 77 77 LYS HA H 4.152 0.020 1 649 77 77 LYS HB2 H 2.538 0.020 1 650 77 77 LYS HB3 H 2.538 0.020 1 651 77 77 LYS HG2 H 2.025 0.020 1 652 77 77 LYS HG3 H 2.025 0.020 1 653 77 77 LYS HD2 H 1.693 0.020 1 654 77 77 LYS HD3 H 1.693 0.020 1 655 77 77 LYS CA C 54.283 0.3 1 656 77 77 LYS CB C 29.478 0.3 1 657 77 77 LYS CG C 26.400 0.3 1 658 77 77 LYS N N 119.902 0.3 1 659 78 78 ASP H H 7.991 0.020 1 660 78 78 ASP HA H 4.243 0.020 1 661 78 78 ASP HB2 H 1.864 0.020 1 662 78 78 ASP HB3 H 1.864 0.020 1 663 78 78 ASP CA C 52.061 0.3 1 664 78 78 ASP N N 119.146 0.3 1 665 79 79 THR H H 7.587 0.020 1 666 79 79 THR HA H 4.170 0.020 1 667 79 79 THR HB H 4.096 0.020 1 668 79 79 THR HG2 H 1.080 0.020 1 669 79 79 THR CA C 59.030 0.3 1 670 79 79 THR CB C 67.668 0.3 1 671 79 79 THR CG2 C 18.534 0.3 1 672 79 79 THR N N 112.750 0.3 1 673 80 80 ASP H H 8.354 0.020 1 674 80 80 ASP HA H 4.371 0.020 1 675 80 80 ASP HB2 H 2.512 0.020 1 676 80 80 ASP HB3 H 2.512 0.020 1 677 80 80 ASP CA C 50.850 0.3 1 678 80 80 ASP CB C 37.353 0.3 1 679 80 80 ASP N N 122.888 0.3 1 680 81 81 SER H H 8.232 0.020 1 681 81 81 SER HA H 4.115 0.020 1 682 81 81 SER HB2 H 3.796 0.020 1 683 81 81 SER HB3 H 3.796 0.020 1 684 81 81 SER CA C 57.717 0.3 1 685 81 81 SER CB C 60.884 0.3 1 686 81 81 SER N N 117.571 0.3 1 687 82 82 GLU H H 8.364 0.020 1 688 82 82 GLU HA H 3.883 0.020 1 689 82 82 GLU HB2 H 1.965 0.020 1 690 82 82 GLU HG2 H 2.175 0.020 1 691 82 82 GLU CA C 56.707 0.3 1 692 82 82 GLU CB C 29.592 0.3 1 693 82 82 GLU CG C 33.468 0.3 1 694 82 82 GLU N N 121.860 0.3 1 695 83 83 GLU H H 8.032 0.020 1 696 83 83 GLU HA H 3.883 0.020 1 697 83 83 GLU HB2 H 1.956 0.020 1 698 83 83 GLU HB3 H 1.956 0.020 1 699 83 83 GLU HG2 H 2.219 0.020 1 700 83 83 GLU HG3 H 2.219 0.020 1 701 83 83 GLU CA C 56.606 0.3 1 702 83 83 GLU CB C 29.364 0.3 1 703 83 83 GLU CG C 33.582 0.3 1 704 83 83 GLU N N 119.398 0.3 1 705 84 84 GLU H H 8.153 0.020 1 706 84 84 GLU HA H 3.871 0.020 1 707 84 84 GLU HB2 H 1.917 0.020 1 708 84 84 GLU HB3 H 1.917 0.020 1 709 84 84 GLU HG2 H 2.226 0.020 1 710 84 84 GLU HG3 H 2.226 0.020 1 711 84 84 GLU CA C 56.606 0.3 1 712 84 84 GLU CB C 25.817 0.3 1 713 84 84 GLU CG C 33.470 0.3 1 714 84 84 GLU N N 118.279 0.3 1 715 85 85 ILE H H 7.927 0.020 1 716 85 85 ILE HA H 3.612 0.020 1 717 85 85 ILE HB H 1.778 0.020 1 718 85 85 ILE HG12 H 0.919 0.020 1 719 85 85 ILE HG13 H 0.919 0.020 1 720 85 85 ILE HG2 H 1.261 0.020 1 721 85 85 ILE HD1 H 0.707 0.020 1 722 85 85 ILE CA C 63.439 0.3 1 723 85 85 ILE CB C 34.608 0.3 1 724 85 85 ILE CG1 C 27.654 0.3 1 725 85 85 ILE CG2 C 15.912 0.3 1 726 85 85 ILE CD1 C 10.212 0.3 1 727 85 85 ILE N N 120.970 0.3 1 728 86 86 ARG H H 8.233 0.020 1 729 86 86 ARG HA H 4.008 0.020 1 730 86 86 ARG HB2 H 1.899 0.020 1 731 86 86 ARG HB3 H 1.899 0.020 1 732 86 86 ARG HG2 H 1.496 0.020 1 733 86 86 ARG HG3 H 1.496 0.020 1 734 86 86 ARG HD2 H 2.810 0.020 1 735 86 86 ARG HD3 H 2.810 0.020 1 736 86 86 ARG CA C 57.515 0.3 1 737 86 86 ARG CB C 26.856 0.3 1 738 86 86 ARG CG C 24.690 0.3 1 739 86 86 ARG CD C 40.536 0.3 1 740 86 86 ARG N N 121.766 0.3 1 741 87 87 GLU H H 8.156 0.020 1 742 87 87 GLU HA H 3.902 0.020 1 743 87 87 GLU HB2 H 1.890 0.020 1 744 87 87 GLU HB3 H 1.890 0.020 1 745 87 87 GLU HG2 H 2.175 0.020 1 746 87 87 GLU HG3 H 2.175 0.020 1 747 87 87 GLU CA C 56.606 0.3 1 748 87 87 GLU CB C 25.817 0.3 1 749 87 87 GLU CG C 33.698 0.3 1 750 87 87 GLU N N 118.369 0.3 1 751 88 88 ALA H H 7.877 0.020 1 752 88 88 ALA HA H 3.949 0.020 1 753 88 88 ALA HB H 1.368 0.020 1 754 88 88 ALA CA C 52.263 0.3 1 755 88 88 ALA CB C 15.080 0.3 1 756 88 88 ALA N N 120.337 0.3 1 757 89 89 PHE H H 8.459 0.020 1 758 89 89 PHE HA H 3.115 0.020 1 759 89 89 PHE HB2 H 2.731 0.020 1 760 89 89 PHE HB3 H 2.731 0.020 1 761 89 89 PHE HD1 H 6.478 0.020 1 762 89 89 PHE HD2 H 6.478 0.020 1 763 89 89 PHE HE1 H 7.054 0.020 1 764 89 89 PHE HE2 H 7.054 0.020 1 765 89 89 PHE CA C 59.703 0.3 1 766 89 89 PHE CB C 36.774 0.3 1 767 89 89 PHE N N 118.191 0.3 1 768 90 90 ARG H H 7.764 0.020 1 769 90 90 ARG HA H 3.905 0.020 1 770 90 90 ARG HB2 H 1.803 0.020 1 771 90 90 ARG HB3 H 1.803 0.020 1 772 90 90 ARG HG2 H 2.135 0.020 1 773 90 90 ARG HG3 H 2.135 0.020 1 774 90 90 ARG HD2 H 3.073 0.020 1 775 90 90 ARG HD3 H 3.073 0.020 1 776 90 90 ARG CA C 56.168 0.3 1 777 90 90 ARG CB C 27.654 0.3 1 778 90 90 ARG CG C 25.716 0.3 1 779 90 90 ARG CD C 40.764 0.3 1 780 90 90 ARG N N 115.953 0.3 1 781 91 91 VAL H H 7.229 0.020 1 782 91 91 VAL HA H 3.285 0.020 1 783 91 91 VAL HB H 1.901 0.020 1 784 91 91 VAL HG1 H 0.388 0.020 1 785 91 91 VAL HG2 H 0.856 0.020 1 786 91 91 VAL CA C 63.357 0.3 1 787 91 91 VAL CB C 28.444 0.3 1 788 91 91 VAL CG1 C 18.164 0.3 1 789 91 91 VAL CG2 C 19.877 0.3 1 790 91 91 VAL N N 118.202 0.3 1 791 92 92 PHE H H 6.699 0.020 1 792 92 92 PHE HA H 3.945 0.020 1 793 92 92 PHE HB2 H 2.561 0.020 1 794 92 92 PHE HB3 H 2.561 0.020 1 795 92 92 PHE HD1 H 6.373 0.020 1 796 92 92 PHE HD2 H 6.373 0.020 1 797 92 92 PHE CA C 58.029 0.3 1 798 92 92 PHE CB C 38.838 0.3 1 799 92 92 PHE N N 112.447 0.3 1 800 93 93 ASP H H 7.881 0.020 1 801 93 93 ASP HA H 4.476 0.020 1 802 93 93 ASP HB2 H 2.517 0.020 1 803 93 93 ASP HB3 H 2.517 0.020 2 804 93 93 ASP CA C 49.525 0.3 1 805 93 93 ASP CB C 35.183 0.3 1 806 93 93 ASP N N 116.461 0.3 1 807 94 94 LYS H H 7.596 0.020 1 808 94 94 LYS HA H 3.668 0.020 1 809 94 94 LYS HB2 H 2.198 0.020 1 810 94 94 LYS HB3 H 2.198 0.020 1 811 94 94 LYS HG2 H 1.517 0.020 2 812 94 94 LYS HG3 H 1.283 0.020 2 813 94 94 LYS HD2 H 1.794 0.020 1 814 94 94 LYS HD3 H 1.794 0.020 1 815 94 94 LYS CA C 55.976 0.3 1 816 94 94 LYS CB C 31.414 0.3 1 817 94 94 LYS CG C 25.246 0.3 1 818 94 94 LYS CD C 27.644 0.3 1 819 94 94 LYS CE C 40.764 0.3 1 820 94 94 LYS N N 125.494 0.3 1 821 95 95 ASP H H 8.097 0.020 1 822 95 95 ASP HA H 4.415 0.020 1 823 95 95 ASP HB2 H 2.924 0.020 1 824 95 95 ASP HB3 H 2.498 0.020 2 825 95 95 ASP CA C 50.307 0.3 1 826 95 95 ASP CB C 36.774 0.3 1 827 95 95 ASP N N 114.015 0.3 1 828 96 96 GLY H H 7.677 0.020 1 829 96 96 GLY HA2 H 3.711 0.020 1 830 96 96 GLY HA3 H 3.711 0.020 1 831 96 96 GLY CA C 44.344 0.3 1 832 96 96 GLY N N 109.147 0.3 1 833 97 97 ASN H H 8.252 0.020 1 834 97 97 ASN HA H 4.500 0.020 1 835 97 97 ASN HB2 H 3.271 0.020 1 836 97 97 ASN HB3 H 3.271 0.020 1 837 97 97 ASN CA C 49.916 0.3 1 838 97 97 ASN CB C 35.183 0.3 1 839 97 97 ASN N N 119.575 0.3 1 840 98 98 GLY H H 10.462 0.020 1 841 98 98 GLY HA2 H 3.986 0.020 1 842 98 98 GLY HA3 H 3.986 0.020 2 843 98 98 GLY CA C 42.292 0.3 1 844 98 98 GLY N N 112.465 0.3 1 845 99 99 TYR H H 7.557 0.020 1 846 99 99 TYR HA H 4.882 0.020 1 847 99 99 TYR HB2 H 2.412 0.020 1 848 99 99 TYR HB3 H 2.412 0.020 1 849 99 99 TYR HD1 H 6.736 0.020 1 850 99 99 TYR HD2 H 6.736 0.020 1 851 99 99 TYR CA C 53.582 0.3 1 852 99 99 TYR CB C 39.981 0.3 1 853 99 99 TYR N N 116.256 0.3 1 854 100 100 ILE H H 9.972 0.020 1 855 100 100 ILE HA H 4.457 0.020 1 856 100 100 ILE HB H 1.731 0.020 1 857 100 100 ILE HG2 H 0.751 0.020 1 858 100 100 ILE HD1 H 0.771 0.020 1 859 100 100 ILE CA C 58.616 0.3 1 860 100 100 ILE CB C 36.432 0.3 1 861 100 100 ILE CG1 C 24.234 0.3 1 862 100 100 ILE CG2 C 14.316 0.3 1 863 100 100 ILE CD1 C 13.632 0.3 1 864 100 100 ILE N N 126.957 0.3 1 865 101 101 SER H H 8.844 0.020 1 866 101 101 SER HA H 4.711 0.020 1 867 101 101 SER HB2 H 3.818 0.020 1 868 101 101 SER HB3 H 3.818 0.020 1 869 101 101 SER CA C 52.897 0.3 1 870 101 101 SER CB C 64.134 0.3 1 871 101 101 SER N N 123.739 0.3 1 872 102 102 ALA H H 9.178 0.020 1 873 102 102 ALA HA H 3.711 0.020 1 874 102 102 ALA HB H 1.325 0.020 1 875 102 102 ALA CA C 53.093 0.3 1 876 102 102 ALA CB C 15.114 0.3 1 877 102 102 ALA N N 123.028 0.3 1 878 103 103 ALA H H 8.132 0.020 1 879 103 103 ALA HA H 3.861 0.020 1 880 103 103 ALA HB H 1.262 0.020 1 881 103 103 ALA CA C 52.409 0.3 1 882 103 103 ALA CB C 15.456 0.3 1 883 103 103 ALA N N 118.443 0.3 1 884 104 104 GLU H H 7.786 0.020 1 885 104 104 GLU HA H 3.839 0.020 1 886 104 104 GLU HB2 H 1.917 0.020 1 887 104 104 GLU HB3 H 1.917 0.020 1 888 104 104 GLU HG2 H 2.260 0.020 1 889 104 104 GLU HG3 H 2.260 0.020 1 890 104 104 GLU CA C 56.563 0.3 1 891 104 104 GLU CB C 26.400 0.3 1 892 104 104 GLU CG C 33.582 0.3 1 893 104 104 GLU N N 120.139 0.3 1 894 105 105 LEU H H 8.240 0.020 1 895 105 105 LEU HA H 3.902 0.020 1 896 105 105 LEU HB2 H 1.623 0.020 1 897 105 105 LEU HB3 H 1.623 0.020 1 898 105 105 LEU HG H 1.645 0.020 1 899 105 105 LEU HD1 H 0.643 0.020 1 900 105 105 LEU HD2 H 1.036 0.020 1 901 105 105 LEU CA C 55.732 0.3 1 902 105 105 LEU CB C 40.209 0.3 1 903 105 105 LEU CG C 23.532 0.3 1 904 105 105 LEU CD1 C 20.791 0.3 1 905 105 105 LEU N N 121.545 0.3 1 906 106 106 ARG H H 8.761 0.020 1 907 106 106 ARG HA H 3.839 0.020 1 908 106 106 ARG HB2 H 1.730 0.020 1 909 106 106 ARG HB3 H 1.730 0.020 1 910 106 106 ARG HG2 H 1.922 0.020 1 911 106 106 ARG HG3 H 1.922 0.020 1 912 106 106 ARG CA C 57.345 0.3 1 913 106 106 ARG CB C 30.390 0.3 1 914 106 106 ARG CG C 25.944 0.3 1 915 106 106 ARG CD C 39.054 0.3 1 916 106 106 ARG N N 118.625 0.3 1 917 107 107 HIS H H 7.946 0.020 1 918 107 107 HIS HA H 3.902 0.020 1 919 107 107 HIS HB2 H 2.24 0.020 1 920 107 107 HIS HB3 H 1.794 0.020 1 921 107 107 HIS CA C 56.807 0.3 1 922 107 107 HIS CB C 27.198 0.3 1 923 107 107 HIS N N 119.052 0.3 1 924 108 108 VAL H H 7.736 0.020 1 925 108 108 VAL HA H 3.442 0.020 1 926 108 108 VAL HB H 2.027 0.020 1 927 108 108 VAL HG1 H 0.466 0.020 1 928 108 108 VAL HG2 H 0.861 0.020 1 929 108 108 VAL CA C 64.285 0.3 1 930 108 108 VAL CB C 28.908 0.3 1 931 108 108 VAL CG1 C 18.078 0.3 1 932 108 108 VAL CG2 C 20.700 0.3 1 933 108 108 VAL N N 119.160 0.3 1 934 109 109 MET H H 8.074 0.020 1 935 109 109 MET HA H 4.139 0.020 1 936 109 109 MET HB2 H 1.709 0.020 1 937 109 109 MET HB3 H 1.709 0.020 1 938 109 109 MET HG2 H 2.038 0.020 1 939 109 109 MET HG3 H 2.038 0.020 1 940 109 109 MET CA C 54.686 0.3 1 941 109 109 MET CB C 29.706 0.3 1 942 109 109 MET N N 115.333 0.3 1 943 110 110 THR H H 8.515 0.020 1 944 110 110 THR HA H 3.935 0.020 1 945 110 110 THR HB H 4.168 0.020 1 946 110 110 THR HG2 H 1.080 0.020 1 947 110 110 THR CA C 63.845 0.3 1 948 110 110 THR CB C 66.072 0.3 1 949 110 110 THR CG2 C 18.876 0.3 1 950 110 110 THR N N 116.714 0.3 1 951 111 111 ASN H H 7.890 0.020 1 952 111 111 ASN HA H 4.242 0.020 1 953 111 111 ASN HB2 H 2.689 0.020 1 954 111 111 ASN HB3 H 2.859 0.020 2 955 111 111 ASN CA C 53.093 0.3 1 956 111 111 ASN CB C 35.292 0.3 1 957 111 111 ASN N N 123.784 0.3 1 958 112 112 LEU H H 7.621 0.020 1 959 112 112 LEU HA H 4.115 0.020 1 960 112 112 LEU HB2 H 1.750 0.020 1 961 112 112 LEU HB3 H 1.750 0.020 1 962 112 112 LEU HG H 1.643 0.020 1 963 112 112 LEU HD1 H 0.621 0.020 1 964 112 112 LEU HD2 H 0.621 0.020 1 965 112 112 LEU CA C 52.653 0.3 1 966 112 112 LEU CB C 39.738 0.3 1 967 112 112 LEU CG C 23.094 0.3 1 968 112 112 LEU CD1 C 20.244 0.3 1 969 112 112 LEU N N 118.227 0.3 1 970 113 113 GLY H H 7.701 0.020 1 971 113 113 GLY HA2 H 4.094 0.020 1 972 113 113 GLY HA3 H 4.094 0.020 2 973 113 113 GLY CA C 42.536 0.3 1 974 113 113 GLY N N 106.787 0.3 1 975 114 114 GLU H H 7.864 0.020 1 976 114 114 GLU HA H 4.242 0.020 1 977 114 114 GLU HB2 H 1.518 0.020 1 978 114 114 GLU HB3 H 1.518 0.020 1 979 114 114 GLU HG2 H 1.803 0.020 1 980 114 114 GLU HG3 H 1.803 0.020 1 981 114 114 GLU CA C 52.067 0.3 1 982 114 114 GLU CB C 26.616 0.3 1 983 114 114 GLU CG C 31.071 0.3 1 984 114 114 GLU N N 120.288 0.3 1 985 115 115 LYS H H 8.491 0.020 1 986 115 115 LYS HA H 4.223 0.020 1 987 115 115 LYS HB2 H 1.773 0.020 1 988 115 115 LYS HB3 H 1.773 0.020 1 989 115 115 LYS HG2 H 1.198 0.020 1 990 115 115 LYS HG3 H 1.198 0.020 2 991 115 115 LYS HD2 H 1.496 0.020 1 992 115 115 LYS HD3 H 1.496 0.020 1 993 115 115 LYS CA C 52.848 0.3 1 994 115 115 LYS CB C 30.957 0.3 1 995 115 115 LYS CG C 26.502 0.3 1 996 115 115 LYS N N 124.987 0.3 1 997 116 116 LEU H H 7.978 0.020 1 998 116 116 LEU HA H 4.712 0.020 1 999 116 116 LEU HB2 H 1.473 0.020 1 1000 116 116 LEU HB3 H 1.473 0.020 1 1001 116 116 LEU HG H 1.433 0.020 1 1002 116 116 LEU HD1 H 0.663 0.020 1 1003 116 116 LEU CA C 51.089 0.3 1 1004 116 116 LEU CB C 42.588 0.3 1 1005 116 116 LEU CG C 24.804 0.3 1 1006 116 116 LEU CD1 C 21.384 0.3 1 1007 116 116 LEU CD2 C 16.482 0.3 1 1008 116 116 LEU N N 124.912 0.3 1 1009 117 117 THR H H 9.093 0.020 1 1010 117 117 THR HA H 4.302 0.020 1 1011 117 117 THR HB H 4.647 0.020 1 1012 117 117 THR HG2 H 1.153 0.020 1 1013 117 117 THR CA C 57.834 0.3 1 1014 117 117 THR CB C 68.580 0.3 1 1015 117 117 THR CG2 C 18.990 0.3 1 1016 117 117 THR N N 114.220 0.3 1 1017 118 118 ASP H H 8.764 0.020 1 1018 118 118 ASP HA H 4.058 0.020 1 1019 118 118 ASP HB2 H 2.488 0.020 1 1020 118 118 ASP HB3 H 2.488 0.020 2 1021 118 118 ASP CA C 55.243 0.3 1 1022 118 118 ASP CB C 37.002 0.3 1 1023 118 118 ASP N N 120.925 0.3 1 1024 119 119 GLU H H 8.509 0.020 1 1025 119 119 GLU HA H 3.927 0.020 1 1026 119 119 GLU HB2 H 1.887 0.020 1 1027 119 119 GLU HB3 H 1.887 0.020 1 1028 119 119 GLU HG2 H 2.203 0.020 1 1029 119 119 GLU HG3 H 2.203 0.020 1 1030 119 119 GLU CA C 57.149 0.3 1 1031 119 119 GLU CB C 25.931 0.3 1 1032 119 119 GLU CG C 33.812 0.3 1 1033 119 119 GLU N N 119.395 0.3 1 1034 120 120 GLU H H 7.585 0.020 1 1035 120 120 GLU HA H 3.896 0.020 1 1036 120 120 GLU HB2 H 1.901 0.020 1 1037 120 120 GLU HB3 H 1.901 0.020 1 1038 120 120 GLU HG2 H 2.209 0.020 1 1039 120 120 GLU HG3 H 2.209 0.020 1 1040 120 120 GLU CA C 56.319 0.3 1 1041 120 120 GLU CB C 25.830 0.3 1 1042 120 120 GLU CG C 33.696 0.3 1 1043 120 120 GLU N N 119.909 0.3 1 1044 121 121 VAL H H 7.849 0.020 1 1045 121 121 VAL HA H 3.442 0.020 1 1046 121 121 VAL HB H 2.048 0.020 1 1047 121 121 VAL HG1 H 0.772 0.020 1 1048 121 121 VAL HG2 H 0.199 0.020 1 1049 121 121 VAL CA C 64.090 0.3 1 1050 121 121 VAL CB C 28.680 0.3 1 1051 121 121 VAL CG1 C 20.700 0.3 1 1052 121 121 VAL CG2 C 18.078 0.3 1 1053 121 121 VAL N N 122.092 0.3 1 1054 122 122 ASP H H 7.912 0.020 1 1055 122 122 ASP HA H 4.157 0.020 1 1056 122 122 ASP HB2 H 2.503 0.020 1 1057 122 122 ASP HB3 H 2.623 0.020 2 1058 122 122 ASP CA C 54.901 0.3 1 1059 122 122 ASP CB C 37.572 0.3 1 1060 122 122 ASP N N 120.167 0.3 1 1061 123 123 GLU H H 7.839 0.020 1 1062 123 123 GLU HA H 3.896 0.020 1 1063 123 123 GLU HB2 H 1.901 0.020 1 1064 123 123 GLU HB3 H 1.901 0.020 1 1065 123 123 GLU HG2 H 2.209 0.020 1 1066 123 123 GLU HG3 H 2.209 0.020 1 1067 123 123 GLU CA C 56.612 0.3 1 1068 123 123 GLU CB C 26.172 0.3 1 1069 123 123 GLU CG C 33.468 0.3 1 1070 123 123 GLU N N 119.087 0.3 1 1071 124 124 MET H H 7.433 0.020 1 1072 124 124 MET HA H 3.867 0.020 1 1073 124 124 MET HB2 H 1.755 0.020 1 1074 124 124 MET HB3 H 1.755 0.020 1 1075 124 124 MET HG2 H 2.195 0.020 1 1076 124 124 MET HG3 H 2.195 0.020 1 1077 124 124 MET CA C 56.905 0.3 1 1078 124 124 MET CB C 29.250 0.3 1 1079 124 124 MET N N 118.897 0.3 1 1080 125 125 ILE H H 7.658 0.020 1 1081 125 125 ILE HA H 3.380 0.020 1 1082 125 125 ILE HB H 2.086 0.020 1 1083 125 125 ILE HG12 H 0.554 0.020 1 1084 125 125 ILE HG13 H 0.554 0.020 1 1085 125 125 ILE HG2 H 1.241 0.020 1 1086 125 125 ILE HD1 H 0.434 0.020 1 1087 125 125 ILE CA C 60.131 0.3 1 1088 125 125 ILE CB C 33.240 0.3 1 1089 125 125 ILE CG1 C 13.595 0.3 1 1090 125 125 ILE CG2 C 24.789 0.3 1 1091 125 125 ILE N N 118.001 0.3 1 1092 126 126 ARG H H 7.974 0.020 1 1093 126 126 ARG HA H 3.883 0.020 1 1094 126 126 ARG HB2 H 1.725 0.020 1 1095 126 126 ARG HB3 H 1.725 0.020 1 1096 126 126 ARG CA C 56.673 0.3 1 1097 126 126 ARG CB C 29.478 0.3 1 1098 126 126 ARG CG C 26.058 0.3 1 1099 126 126 ARG CD C 40.992 0.3 1 1100 126 126 ARG N N 117.720 0.3 1 1101 127 127 GLU H H 7.635 0.020 1 1102 127 127 GLU HA H 3.967 0.020 1 1103 127 127 GLU HB2 H 1.916 0.020 1 1104 127 127 GLU HB3 H 1.916 0.020 1 1105 127 127 GLU HG2 H 2.253 0.020 1 1106 127 127 GLU HG3 H 2.253 0.020 1 1107 127 127 GLU CA C 56.319 0.3 1 1108 127 127 GLU CB C 26.286 0.3 1 1109 127 127 GLU CG C 33.696 0.3 1 1110 127 127 GLU N N 117.050 0.3 1 1111 128 128 ALA H H 7.155 0.020 1 1112 128 128 ALA HA H 4.500 0.020 1 1113 128 128 ALA HB H 1.329 0.020 1 1114 128 128 ALA CA C 48.205 0.3 1 1115 128 128 ALA CB C 20.105 0.3 1 1116 128 128 ALA N N 116.966 0.3 1 1117 129 129 ASP H H 7.806 0.020 1 1118 129 129 ASP HA H 4.351 0.020 1 1119 129 129 ASP HB2 H 2.517 0.020 1 1120 129 129 ASP HB3 H 2.517 0.020 2 1121 129 129 ASP CA C 51.822 0.3 1 1122 129 129 ASP CB C 37.686 0.3 1 1123 129 129 ASP N N 118.033 0.3 1 1124 130 130 ILE H H 8.115 0.020 1 1125 130 130 ILE HA H 3.797 0.020 1 1126 130 130 ILE HB H 1.837 0.020 1 1127 130 130 ILE HG12 H 1.549 0.020 1 1128 130 130 ILE HG13 H 1.549 0.020 1 1129 130 130 ILE HG2 H 0.772 0.020 1 1130 130 130 ILE HD1 H 0.708 0.020 1 1131 130 130 ILE CA C 60.522 0.3 1 1132 130 130 ILE CB C 36.090 0.3 1 1133 130 130 ILE CG1 C 25.032 0.3 1 1134 130 130 ILE CG2 C 14.430 0.3 1 1135 130 130 ILE CD1 C 9.756 0.3 1 1136 130 130 ILE N N 127.927 0.3 1 1137 131 131 ASP H H 8.202 0.020 1 1138 131 131 ASP HA H 4.343 0.020 1 1139 131 131 ASP HB2 H 2.900 0.020 1 1140 131 131 ASP HB3 H 2.900 0.020 2 1141 131 131 ASP CA C 51.187 0.3 1 1142 131 131 ASP CB C 37.468 0.3 1 1143 131 131 ASP N N 116.634 0.3 1 1144 132 132 GLY H H 7.535 0.020 1 1145 132 132 GLY HA2 H 3.706 0.020 1 1146 132 132 GLY HA3 H 3.706 0.020 1 1147 132 132 GLY CA C 44.638 0.3 1 1148 132 132 GLY N N 108.586 0.3 1 1149 133 133 ASP H H 8.215 0.020 1 1150 133 133 ASP HA H 4.351 0.020 1 1151 133 133 ASP HB2 H 2.327 0.020 1 1152 133 133 ASP HB3 H 2.899 0.020 2 1153 133 133 ASP CA C 50.942 0.3 1 1154 133 133 ASP CB C 37.458 0.3 1 1155 133 133 ASP N N 120.377 0.3 1 1156 134 134 GLY H H 9.971 0.020 1 1157 134 134 GLY HA2 H 3.295 0.020 1 1158 134 134 GLY HA3 H 3.295 0.020 2 1159 134 134 GLY CA C 43.122 0.3 1 1160 134 134 GLY N N 112.226 0.3 1 1161 135 135 GLN H H 7.835 0.020 1 1162 135 135 GLN HA H 4.131 0.020 1 1163 135 135 GLN HB2 H 1.617 0.020 1 1164 135 135 GLN HB3 H 1.617 0.020 1 1165 135 135 GLN HG2 H 1.711 0.020 1 1166 135 135 GLN HG3 H 1.711 0.020 1 1167 135 135 GLN CA C 50.454 0.3 1 1168 135 135 GLN CB C 30.614 0.3 1 1169 135 135 GLN CG C 30.614 0.3 1 1170 135 135 GLN N N 115.229 0.3 1 1171 136 136 VAL H H 8.958 0.020 1 1172 136 136 VAL HA H 5.096 0.020 1 1173 136 136 VAL HB H 2.195 0.020 1 1174 136 136 VAL HG1 H 0.948 0.020 1 1175 136 136 VAL HG2 H 1.153 0.020 1 1176 136 136 VAL CA C 58.713 0.3 1 1177 136 136 VAL CB C 31.416 0.3 1 1178 136 136 VAL CG1 C 20.358 0.3 1 1179 136 136 VAL CG2 C 19.104 0.3 1 1180 136 136 VAL N N 125.238 0.3 1 1181 137 137 ASN H H 9.435 0.020 1 1182 137 137 ASN HA H 5.226 0.020 1 1183 137 137 ASN HB2 H 2.964 0.020 1 1184 137 137 ASN HB3 H 2.964 0.020 1 1185 137 137 ASN CA C 48.352 0.3 1 1186 137 137 ASN CB C 35.640 0.3 1 1187 137 137 ASN N N 129.058 0.3 1 1188 138 138 TYR H H 8.146 0.020 1 1189 138 138 TYR HA H 3.192 0.020 1 1190 138 138 TYR HB2 H 1.916 0.020 1 1191 138 138 TYR HB3 H 1.916 0.020 1 1192 138 138 TYR HD1 H 6.865 0.020 1 1193 138 138 TYR HD2 H 6.865 0.020 1 1194 138 138 TYR CA C 59.669 0.3 1 1195 138 138 TYR CB C 37.572 0.3 1 1196 138 138 TYR N N 118.627 0.3 1 1197 139 139 GLU H H 7.974 0.020 1 1198 139 139 GLU HA H 3.511 0.020 1 1199 139 139 GLU HB2 H 1.960 0.020 1 1200 139 139 GLU HB3 H 1.960 0.020 1 1201 139 139 GLU HG2 H 2.180 0.020 1 1202 139 139 GLU HG3 H 2.180 0.020 1 1203 139 139 GLU CA C 57.540 0.3 1 1204 139 139 GLU CB C 26.274 0.3 1 1205 139 139 GLU CG C 33.812 0.3 1 1206 139 139 GLU N N 118.701 0.3 1 1207 140 140 GLU H H 8.676 0.020 1 1208 140 140 GLU HA H 3.911 0.020 1 1209 140 140 GLU HB2 H 1.901 0.020 1 1210 140 140 GLU HB3 H 1.901 0.020 1 1211 140 140 GLU HG2 H 2.197 0.020 1 1212 140 140 GLU HG3 H 2.197 0.020 1 1213 140 140 GLU CA C 56.025 0.3 1 1214 140 140 GLU CB C 26.274 0.3 1 1215 140 140 GLU CG C 33.240 0.3 1 1216 140 140 GLU N N 119.774 0.3 1 1217 141 141 PHE H H 8.507 0.020 1 1218 141 141 PHE HA H 3.647 0.020 1 1219 141 141 PHE HB2 H 3.178 0.020 1 1220 141 141 PHE HB3 H 3.178 0.020 1 1221 141 141 PHE HD1 H 6.630 0.020 1 1222 141 141 PHE HD2 H 6.630 0.020 1 1223 141 141 PHE HE1 H 6.990 0.020 1 1224 141 141 PHE HE2 H 6.990 0.020 1 1225 141 141 PHE HZ H 6.390 0.020 1 1226 141 141 PHE CA C 59.447 0.3 1 1227 141 141 PHE CB C 37.686 0.3 1 1228 141 141 PHE N N 124.074 0.3 1 1229 142 142 VAL H H 8.639 0.020 1 1230 142 142 VAL HA H 2.958 0.020 1 1231 142 142 VAL HB H 1.622 0.020 1 1232 142 142 VAL HG1 H 0.576 0.020 1 1233 142 142 VAL HG2 H 0.291 0.020 1 1234 142 142 VAL CA C 64.432 0.3 1 1235 142 142 VAL CB C 28.908 0.3 1 1236 142 142 VAL CG1 C 18.762 0.3 1 1237 142 142 VAL CG2 C 20.586 0.3 1 1238 142 142 VAL N N 119.203 0.3 1 1239 143 143 GLN H H 7.818 0.020 1 1240 143 143 GLN HA H 3.671 0.020 1 1241 143 143 GLN HB2 H 1.912 0.020 1 1242 143 143 GLN HB3 H 1.912 0.020 1 1243 143 143 GLN HG2 H 2.219 0.020 1 1244 143 143 GLN HG3 H 2.219 0.020 1 1245 143 143 GLN CA C 56.514 0.3 1 1246 143 143 GLN CB C 25.246 0.3 1 1247 143 143 GLN CG C 31.414 0.3 1 1248 143 143 GLN N N 120.173 0.3 1 1249 144 144 MET H H 7.403 0.020 1 1250 144 144 MET HA H 3.882 0.020 1 1251 144 144 MET HB2 H 1.781 0.020 1 1252 144 144 MET HB3 H 1.781 0.020 1 1253 144 144 MET HG2 H 1.781 0.020 1 1254 144 144 MET HG3 H 1.781 0.020 1 1255 144 144 MET HE H 3.090 0.020 1 1256 144 144 MET CA C 55.683 0.3 1 1257 144 144 MET CB C 28.110 0.3 1 1258 144 144 MET N N 118.573 0.3 1 1259 145 145 MET H H 7.534 0.020 1 1260 145 145 MET HA H 3.940 0.020 1 1261 145 145 MET HB2 H 1.725 0.020 1 1262 145 145 MET HB3 H 1.725 0.020 1 1263 145 145 MET HG2 H 1.672 0.020 1 1264 145 145 MET HG3 H 1.672 0.020 1 1265 145 145 MET CA C 53.630 0.3 1 1266 145 145 MET CB C 29.592 0.3 1 1267 145 145 MET N N 114.053 0.3 1 1268 146 146 THR H H 7.554 0.020 1 1269 146 146 THR HA H 4.175 0.020 1 1270 146 146 THR HB H 4.087 0.020 1 1271 146 146 THR HG2 H 0.977 0.020 1 1272 146 146 THR CA C 59.251 0.3 1 1273 146 146 THR CB C 67.896 0.3 1 1274 146 146 THR CG2 C 18.534 0.3 1 1275 146 146 THR N N 109.275 0.3 1 1276 147 147 ALA H H 7.406 0.020 1 1277 147 147 ALA HA H 4.117 0.020 1 1278 147 147 ALA HB H 1.256 0.020 1 1279 147 147 ALA CA C 50.307 0.3 1 1280 147 147 ALA CB C 16.336 0.3 1 1281 147 147 ALA N N 126.913 0.3 1 1282 148 148 LYS H H 7.834 0.020 1 1283 148 148 LYS HA H 3.955 0.020 1 1284 148 148 LYS HB2 H 1.652 0.020 1 1285 148 148 LYS HB3 H 1.652 0.020 1 1286 148 148 LYS HG2 H 1.220 0.020 1 1287 148 148 LYS HG3 H 1.220 0.020 1 1288 148 148 LYS HD2 H 1.916 0.020 1 1289 148 148 LYS HD3 H 1.916 0.020 1 1290 148 148 LYS CA C 54.803 0.3 1 1291 148 148 LYS CB C 30.843 0.3 1 1292 148 148 LYS CG C 21.933 0.3 1 1293 148 148 LYS CD C 26.388 0.3 1 1294 148 148 LYS CE C 39.852 0.3 1 1295 148 148 LYS N N 126.268 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 153 1 THR H H 8.298 0.020 1 2 153 1 THR HA H 4.078 0.020 1 3 153 1 THR HB H 3.963 0.020 1 4 153 1 THR HG2 H 0.910 0.020 1 5 154 2 PHE H H 8.432 0.020 1 6 154 2 PHE HA H 4.526 0.020 1 7 154 2 PHE HB2 H 4.241 0.020 1 8 154 2 PHE HB3 H 4.241 0.020 1 9 155 3 LYS H H 8.314 0.020 1 10 155 3 LYS HA H 3.989 0.020 1 11 155 3 LYS HB2 H 1.993 0.020 1 12 155 3 LYS HB3 H 1.993 0.020 1 13 155 3 LYS HG2 H 0.904 0.020 1 14 155 3 LYS HG3 H 0.904 0.020 1 15 155 3 LYS HD2 H 1.402 0.020 1 16 155 3 LYS HD3 H 1.402 0.020 1 17 156 4 GLU H H 7.797 0.020 1 18 156 4 GLU HA H 4.447 0.020 1 19 156 4 GLU HB2 H 1.402 0.020 1 20 156 4 GLU HB3 H 1.402 0.020 1 21 156 4 GLU HG2 H 1.756 0.020 1 22 156 4 GLU HG3 H 1.756 0.020 1 23 157 5 VAL H H 7.387 0.020 1 24 157 5 VAL HA H 3.945 0.020 1 25 157 5 VAL HB H 1.833 0.020 1 26 157 5 VAL HG1 H 0.613 0.020 1 27 157 5 VAL HG2 H 0.733 0.020 1 28 158 6 ALA H H 7.191 0.020 1 29 158 6 ALA HA H 4.167 0.020 1 30 158 6 ALA HB H 1.521 0.020 1 31 159 7 ASN H H 7.709 0.020 1 32 159 7 ASN HA H 4.087 0.020 1 33 159 7 ASN HB2 H 2.885 0.020 1 34 159 7 ASN HB3 H 2.885 0.020 2 35 160 8 ALA H H 6.782 0.020 1 36 160 8 ALA HB H 1.114 0.020 1 37 161 9 VAL H H 6.561 0.020 1 38 161 9 VAL HA H 4.393 0.020 1 39 161 9 VAL HB H 1.313 0.020 1 40 161 9 VAL HG1 H 0.476 0.020 1 41 161 9 VAL HG2 H 0.476 0.020 1 42 162 10 LYS H H 7.348 0.020 1 43 162 10 LYS HA H 4.393 0.020 1 44 162 10 LYS HB2 H 2.205 0.020 1 45 162 10 LYS HB3 H 2.205 0.020 1 46 162 10 LYS HG2 H 1.030 0.020 1 47 162 10 LYS HG3 H 1.030 0.020 1 48 163 11 ILE H H 9.267 0.020 1 49 163 11 ILE HA H 4.279 0.020 1 50 163 11 ILE HB H 2.197 0.020 1 51 163 11 ILE HG12 H 1.318 0.020 1 52 163 11 ILE HG13 H 1.318 0.020 1 53 163 11 ILE HD1 H 1.023 0.020 1 54 164 12 SER H H 8.802 0.020 1 55 164 12 SER HA H 4.418 0.020 1 56 164 12 SER HB2 H 2.890 0.020 1 57 164 12 SER HB3 H 2.890 0.020 2 58 165 13 ALA H H 7.784 0.020 1 59 165 13 ALA HA H 4.136 0.020 1 60 165 13 ALA HB H 1.504 0.020 1 61 166 14 SER H H 8.539 0.020 1 62 166 14 SER HA H 4.310 0.020 1 63 166 14 SER HB2 H 3.497 0.020 1 64 166 14 SER HB3 H 3.497 0.020 1 65 167 15 LEU H H 8.648 0.020 1 66 167 15 LEU HA H 3.857 0.020 1 67 167 15 LEU HB2 H 2.253 0.020 1 68 167 15 LEU HB3 H 2.253 0.020 1 69 167 15 LEU HG H 1.758 0.020 1 70 167 15 LEU HD1 H 1.226 0.020 1 71 167 15 LEU HD2 H 0.899 0.020 1 72 168 16 MET H H 8.451 0.020 1 73 168 16 MET HB2 H 1.793 0.020 1 74 168 16 MET HB3 H 1.793 0.020 1 75 168 16 MET HG2 H 1.993 0.020 1 76 168 16 MET HG3 H 1.993 0.020 1 stop_ save_