data_4284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4284 _Entry.Title ; NMR Solution Structure of a Complex of Calmodulin with a Binding Peptide of the Ca2+-Pump ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-12-16 _Entry.Accession_date 1998-12-16 _Entry.Last_release_date 1999-10-01 _Entry.Original_release_date 1999-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bettina Elshorst . . . 4284 2 Mirko Hennig . . . 4284 3 Holger Foersterling . . . 4284 4 Alexander Diener . . . 4284 5 Marcus Maurer . . . 4284 6 Petra Schulte . . . 4284 7 Harald Schwalbe . . . 4284 8 Christian Griesinger . . . 4284 9 Joachim Krebs . . . 4284 10 Holger Schmid . . . 4284 11 Thomas Vorherr . . . 4284 12 Ernesto Carafoli . . . 4284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 4284 '15N chemical shifts' 143 4284 '1H chemical shifts' 987 4284 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-10-01 1998-12-16 original author . 4284 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4284 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99425120 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Elshorst, B., Hennig, M., Foersterling, H., Diener, A., Maurer, M., Schulte P., Schwalbe, H., Griesinger, C., Krebs, J., Schmid, H., Vorherr, T., and Carafoli, E., "NMR Solution Structure of a Complex of Calmodulin with a Binding Peptide of the Ca2+-Pump," Biochemistry 38, 12320-12332 (1999). ; _Citation.Title ; NMR Solution Structure of a Complex of Calmodulin with a Binding Peptide of the Ca2+-Pump ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12320 _Citation.Page_last 12332 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bettina Elshorst . . . 4284 1 2 Mirko Hennig . . . 4284 1 3 Holger Foersterling . . . 4284 1 4 Alexander Diener . . . 4284 1 5 Marcus Maurer . . . 4284 1 6 Petra Schulte . . . 4284 1 7 Harald Schwalbe . . . 4284 1 8 Christian Griesinger . . . 4284 1 9 Joachim Krebs . . . 4284 1 10 Holger Schmid . . . 4284 1 11 Thomas Vorherr . . . 4284 1 12 Ernesto Carafoli . . . 4284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CaM-C20W-complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CaM-C20W-complex _Assembly.Entry_ID 4284 _Assembly.ID 1 _Assembly.Name 'Calmodulin-Ca2+-Pump-Peptide Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4284 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cam 1 $CaM . . . native . . . . . 4284 1 2 C20W 2 $C20W . . . native . . . . . 4284 1 3 Ca 3 $CA . . . native . . . . . 4284 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Calmodulin-Ca2+-Pump-Peptide Complex' system 4284 1 CaM-C20W-complex abbreviation 4284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 4284 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15184 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 2 no BMRB 15185 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 3 no BMRB 15186 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 4 no BMRB 15187 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 5 no BMRB 15188 . calmodulin . . . . . 100.00 148 99.32 100.00 9.77e-100 . . . . 4284 1 6 no BMRB 15191 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 7 no BMRB 15470 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 4284 1 8 no BMRB 15624 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 9 no BMRB 15650 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 4284 1 10 no BMRB 15852 . calmodulin . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 4284 1 11 no BMRB 1634 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 4284 1 12 no BMRB 16418 . apoCaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 13 no BMRB 16465 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 14 no BMRB 1648 . calmodulin . . . . . 100.00 148 97.30 99.32 2.54e-97 . . . . 4284 1 15 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 100.00 100.00 5.25e-100 . . . . 4284 1 16 no BMRB 17264 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 17 no BMRB 17360 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 18 no BMRB 17771 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 19 no BMRB 17807 . Calmodulin . . . . . 99.32 147 100.00 100.00 2.55e-99 . . . . 4284 1 20 no BMRB 18027 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 21 no BMRB 18028 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 22 no BMRB 18556 . Calmodulin . . . . . 100.00 148 98.65 99.32 2.65e-98 . . . . 4284 1 23 no BMRB 19036 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 24 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 25 no BMRB 19586 . entity_1 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 26 no BMRB 19604 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 27 no BMRB 25253 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 4284 1 28 no BMRB 25257 . CaM . . . . . 100.00 148 98.65 99.32 1.22e-97 . . . . 4284 1 29 no BMRB 26503 . Calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 30 no BMRB 26626 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 31 no BMRB 26627 . CaM . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 32 no BMRB 4056 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 33 no BMRB 4270 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 34 no BMRB 4310 . calmodulin . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 35 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 36 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 37 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 38 no 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 . . . . 4284 1 39 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 40 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 41 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 42 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 43 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 44 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 4284 1 45 no 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 . . . . 4284 1 46 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 47 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 48 no 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 . . . . 4284 1 49 no 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 . . . . 4284 1 50 no 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 . . . . 4284 1 51 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 52 no 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 . . . . 4284 1 53 no 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 . . . . 4284 1 54 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 4284 1 55 no 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 . . . . 4284 1 56 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 4284 1 57 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 100.00 149 99.32 99.32 4.27e-99 . . . . 4284 1 58 no 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 . . . . 4284 1 59 no 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 . . . . 4284 1 60 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 61 no 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 . . . . 4284 1 62 no 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 . . . . 4284 1 63 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 64 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 99.32 99.32 4.13e-99 . . . . 4284 1 65 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 66 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 67 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 68 no 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 . . . . 4284 1 69 no 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 . . . . 4284 1 70 no 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 . . . . 4284 1 71 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 1.22e-99 . . . . 4284 1 72 no 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 . . . . 4284 1 73 no 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 . . . . 4284 1 74 no 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 . . . . 4284 1 75 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 4284 1 76 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.97 99.32 6.77e-98 . . . . 4284 1 77 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 78 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 79 no PDB 2BKI . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 80 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 81 no 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 . . . . 4284 1 82 no 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 . . . . 4284 1 83 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 84 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 85 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 86 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 87 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 88 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 89 no 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 . . . . 4284 1 90 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 4284 1 91 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 99.32 100.00 3.32e-99 . . . . 4284 1 92 no 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 . . . . 4284 1 93 no 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 . . . . 4284 1 94 no 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 . . . . 4284 1 95 no 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 . . . . 4284 1 96 no 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 . . . . 4284 1 97 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 98 no 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 . . . . 4284 1 99 no 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 . . . . 4284 1 100 no 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 . . . . 4284 1 101 no 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 . . . . 4284 1 102 no 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 . . . . 4284 1 103 no 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 . . . . 4284 1 104 no 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 . . . . 4284 1 105 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 106 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 107 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 108 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 109 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 110 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 111 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 100.00 100.00 1.07e-98 . . . . 4284 1 112 no 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 . . . . 4284 1 113 no 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 . . . . 4284 1 114 no 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 . . . . 4284 1 115 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 116 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 117 no 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 . . . . 4284 1 118 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 100.00 100.00 5.60e-100 . . . . 4284 1 119 no 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 . . . . 4284 1 120 no 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 . . . . 4284 1 121 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 122 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 4284 1 123 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 124 no 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 . . . . 4284 1 125 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 126 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 127 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 4284 1 128 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 4284 1 129 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 100.00 100.00 1.33e-95 . . . . 4284 1 130 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 99.32 99.32 9.09e-95 . . . . 4284 1 131 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 4284 1 132 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 100.00 100.00 9.40e-96 . . . . 4284 1 133 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 4284 1 134 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 4284 1 135 no 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 . . . . 4284 1 136 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 137 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 138 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 139 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 140 no 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 . . . . 4284 1 141 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 142 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 100.00 100.00 4.22e-96 . . . . 4284 1 143 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 100.00 100.00 4.65e-96 . . . . 4284 1 144 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 145 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 99.32 99.32 1.34e-94 . . . . 4284 1 146 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 98.64 99.32 1.70e-93 . . . . 4284 1 147 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 1.17e-93 . . . . 4284 1 148 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 100.00 448 97.97 98.65 9.63e-94 . . . . 4284 1 149 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 100.00 100.00 1.20e-95 . . . . 4284 1 150 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 99.32 100.00 8.02e-95 . . . . 4284 1 151 no 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 . . . . 4284 1 152 no 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 . . . . 4284 1 153 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 98.64 99.32 2.87e-94 . . . . 4284 1 154 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 100.00 100.00 5.91e-100 . . . . 4284 1 155 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 156 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 157 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 158 no 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 . . . . 4284 1 159 no 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 . . . . 4284 1 160 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 161 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 162 no 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 . . . . 4284 1 163 no 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 . . . . 4284 1 164 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 100.00 100.00 2.67e-100 . . . . 4284 1 165 no 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 . . . . 4284 1 166 no 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 . . . . 4284 1 167 no 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 . . . . 4284 1 168 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 100.00 100.00 2.20e-100 . . . . 4284 1 169 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 98.64 99.32 1.47e-93 . . . . 4284 1 170 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 4284 1 171 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 4284 1 172 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 99.32 100.00 3.73e-95 . . . . 4284 1 173 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 4284 1 174 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 99.32 448 99.32 100.00 9.53e-95 . . . . 4284 1 175 no 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 . . . . 4284 1 176 no 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 . . . . 4284 1 177 no 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 . . . . 4284 1 178 no 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 . . . . 4284 1 179 no 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 . . . . 4284 1 180 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 181 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 182 no 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 . . . . 4284 1 183 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 184 no 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 . . . . 4284 1 185 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 186 no 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 . . . . 4284 1 187 no 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 . . . . 4284 1 188 no 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 . . . . 4284 1 189 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 190 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 191 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 192 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 193 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 194 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 4284 1 195 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 196 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 197 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 198 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 199 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 200 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 201 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 202 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 203 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 204 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 205 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 4284 1 206 no PRF 0409298A . "troponin C-like protein" . . . . . 100.00 148 97.30 100.00 2.53e-98 . . . . 4284 1 207 no PRF 0608335A . calmodulin . . . . . 100.00 148 97.97 99.32 3.48e-97 . . . . 4284 1 208 no REF NP_001008160 . "calmodulin [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 209 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 210 no REF NP_001027633 . "calmodulin [Ciona intestinalis]" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 4284 1 211 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 212 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.97 99.32 5.16e-98 . . . . 4284 1 213 no SP O02367 . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM" . . . . . 100.00 149 97.30 98.65 3.34e-97 . . . . 4284 1 214 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.97 98.65 1.28e-97 . . . . 4284 1 215 no SP O96081 . "RecName: Full=Calmodulin-B; Short=CaM B" . . . . . 100.00 149 97.30 98.65 3.76e-97 . . . . 4284 1 216 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 99.32 100.00 1.65e-99 . . . . 4284 1 217 no SP P05932 . "RecName: Full=Calmodulin-beta; Short=Cam B" . . . . . 93.24 138 97.10 99.28 5.25e-90 . . . . 4284 1 218 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 98.65 98.65 2.49e-98 . . . . 4284 1 219 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 98.65 99.32 7.54e-99 . . . . 4284 1 220 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 221 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 222 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 4284 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Calmodulin common 4284 1 CaM abbreviation 4284 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 4284 1 2 . ASP . 4284 1 3 . GLN . 4284 1 4 . LEU . 4284 1 5 . THR . 4284 1 6 . GLU . 4284 1 7 . GLU . 4284 1 8 . GLN . 4284 1 9 . ILE . 4284 1 10 . ALA . 4284 1 11 . GLU . 4284 1 12 . PHE . 4284 1 13 . LYS . 4284 1 14 . GLU . 4284 1 15 . ALA . 4284 1 16 . PHE . 4284 1 17 . SER . 4284 1 18 . LEU . 4284 1 19 . PHE . 4284 1 20 . ASP . 4284 1 21 . LYS . 4284 1 22 . ASP . 4284 1 23 . GLY . 4284 1 24 . ASP . 4284 1 25 . GLY . 4284 1 26 . THR . 4284 1 27 . ILE . 4284 1 28 . THR . 4284 1 29 . THR . 4284 1 30 . LYS . 4284 1 31 . GLU . 4284 1 32 . LEU . 4284 1 33 . GLY . 4284 1 34 . THR . 4284 1 35 . VAL . 4284 1 36 . MET . 4284 1 37 . ARG . 4284 1 38 . SER . 4284 1 39 . LEU . 4284 1 40 . GLY . 4284 1 41 . GLN . 4284 1 42 . ASN . 4284 1 43 . PRO . 4284 1 44 . THR . 4284 1 45 . GLU . 4284 1 46 . ALA . 4284 1 47 . GLU . 4284 1 48 . LEU . 4284 1 49 . GLN . 4284 1 50 . ASP . 4284 1 51 . MET . 4284 1 52 . ILE . 4284 1 53 . ASN . 4284 1 54 . GLU . 4284 1 55 . VAL . 4284 1 56 . ASP . 4284 1 57 . ALA . 4284 1 58 . ASP . 4284 1 59 . GLY . 4284 1 60 . ASN . 4284 1 61 . GLY . 4284 1 62 . THR . 4284 1 63 . ILE . 4284 1 64 . ASP . 4284 1 65 . PHE . 4284 1 66 . PRO . 4284 1 67 . GLU . 4284 1 68 . PHE . 4284 1 69 . LEU . 4284 1 70 . THR . 4284 1 71 . MET . 4284 1 72 . MET . 4284 1 73 . ALA . 4284 1 74 . ARG . 4284 1 75 . LYS . 4284 1 76 . MET . 4284 1 77 . LYS . 4284 1 78 . ASP . 4284 1 79 . THR . 4284 1 80 . ASP . 4284 1 81 . SER . 4284 1 82 . GLU . 4284 1 83 . GLU . 4284 1 84 . GLU . 4284 1 85 . ILE . 4284 1 86 . ARG . 4284 1 87 . GLU . 4284 1 88 . ALA . 4284 1 89 . PHE . 4284 1 90 . ARG . 4284 1 91 . VAL . 4284 1 92 . PHE . 4284 1 93 . ASP . 4284 1 94 . LYS . 4284 1 95 . ASP . 4284 1 96 . GLY . 4284 1 97 . ASN . 4284 1 98 . GLY . 4284 1 99 . TYR . 4284 1 100 . ILE . 4284 1 101 . SER . 4284 1 102 . ALA . 4284 1 103 . ALA . 4284 1 104 . GLU . 4284 1 105 . LEU . 4284 1 106 . ARG . 4284 1 107 . HIS . 4284 1 108 . VAL . 4284 1 109 . MET . 4284 1 110 . THR . 4284 1 111 . ASN . 4284 1 112 . LEU . 4284 1 113 . GLY . 4284 1 114 . GLU . 4284 1 115 . LYS . 4284 1 116 . LEU . 4284 1 117 . THR . 4284 1 118 . ASP . 4284 1 119 . GLU . 4284 1 120 . GLU . 4284 1 121 . VAL . 4284 1 122 . ASP . 4284 1 123 . GLU . 4284 1 124 . MET . 4284 1 125 . ILE . 4284 1 126 . ARG . 4284 1 127 . GLU . 4284 1 128 . ALA . 4284 1 129 . ASP . 4284 1 130 . ILE . 4284 1 131 . ASP . 4284 1 132 . GLY . 4284 1 133 . ASP . 4284 1 134 . GLY . 4284 1 135 . GLN . 4284 1 136 . VAL . 4284 1 137 . ASN . 4284 1 138 . TYR . 4284 1 139 . GLU . 4284 1 140 . GLU . 4284 1 141 . PHE . 4284 1 142 . VAL . 4284 1 143 . GLN . 4284 1 144 . MET . 4284 1 145 . MET . 4284 1 146 . THR . 4284 1 147 . ALA . 4284 1 148 . LYS . 4284 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 4284 1 . ASP 2 2 4284 1 . GLN 3 3 4284 1 . LEU 4 4 4284 1 . THR 5 5 4284 1 . GLU 6 6 4284 1 . GLU 7 7 4284 1 . GLN 8 8 4284 1 . ILE 9 9 4284 1 . ALA 10 10 4284 1 . GLU 11 11 4284 1 . PHE 12 12 4284 1 . LYS 13 13 4284 1 . GLU 14 14 4284 1 . ALA 15 15 4284 1 . PHE 16 16 4284 1 . SER 17 17 4284 1 . LEU 18 18 4284 1 . PHE 19 19 4284 1 . ASP 20 20 4284 1 . LYS 21 21 4284 1 . ASP 22 22 4284 1 . GLY 23 23 4284 1 . ASP 24 24 4284 1 . GLY 25 25 4284 1 . THR 26 26 4284 1 . ILE 27 27 4284 1 . THR 28 28 4284 1 . THR 29 29 4284 1 . LYS 30 30 4284 1 . GLU 31 31 4284 1 . LEU 32 32 4284 1 . GLY 33 33 4284 1 . THR 34 34 4284 1 . VAL 35 35 4284 1 . MET 36 36 4284 1 . ARG 37 37 4284 1 . SER 38 38 4284 1 . LEU 39 39 4284 1 . GLY 40 40 4284 1 . GLN 41 41 4284 1 . ASN 42 42 4284 1 . PRO 43 43 4284 1 . THR 44 44 4284 1 . GLU 45 45 4284 1 . ALA 46 46 4284 1 . GLU 47 47 4284 1 . LEU 48 48 4284 1 . GLN 49 49 4284 1 . ASP 50 50 4284 1 . MET 51 51 4284 1 . ILE 52 52 4284 1 . ASN 53 53 4284 1 . GLU 54 54 4284 1 . VAL 55 55 4284 1 . ASP 56 56 4284 1 . ALA 57 57 4284 1 . ASP 58 58 4284 1 . GLY 59 59 4284 1 . ASN 60 60 4284 1 . GLY 61 61 4284 1 . THR 62 62 4284 1 . ILE 63 63 4284 1 . ASP 64 64 4284 1 . PHE 65 65 4284 1 . PRO 66 66 4284 1 . GLU 67 67 4284 1 . PHE 68 68 4284 1 . LEU 69 69 4284 1 . THR 70 70 4284 1 . MET 71 71 4284 1 . MET 72 72 4284 1 . ALA 73 73 4284 1 . ARG 74 74 4284 1 . LYS 75 75 4284 1 . MET 76 76 4284 1 . LYS 77 77 4284 1 . ASP 78 78 4284 1 . THR 79 79 4284 1 . ASP 80 80 4284 1 . SER 81 81 4284 1 . GLU 82 82 4284 1 . GLU 83 83 4284 1 . GLU 84 84 4284 1 . ILE 85 85 4284 1 . ARG 86 86 4284 1 . GLU 87 87 4284 1 . ALA 88 88 4284 1 . PHE 89 89 4284 1 . ARG 90 90 4284 1 . VAL 91 91 4284 1 . PHE 92 92 4284 1 . ASP 93 93 4284 1 . LYS 94 94 4284 1 . ASP 95 95 4284 1 . GLY 96 96 4284 1 . ASN 97 97 4284 1 . GLY 98 98 4284 1 . TYR 99 99 4284 1 . ILE 100 100 4284 1 . SER 101 101 4284 1 . ALA 102 102 4284 1 . ALA 103 103 4284 1 . GLU 104 104 4284 1 . LEU 105 105 4284 1 . ARG 106 106 4284 1 . HIS 107 107 4284 1 . VAL 108 108 4284 1 . MET 109 109 4284 1 . THR 110 110 4284 1 . ASN 111 111 4284 1 . LEU 112 112 4284 1 . GLY 113 113 4284 1 . GLU 114 114 4284 1 . LYS 115 115 4284 1 . LEU 116 116 4284 1 . THR 117 117 4284 1 . ASP 118 118 4284 1 . GLU 119 119 4284 1 . GLU 120 120 4284 1 . VAL 121 121 4284 1 . ASP 122 122 4284 1 . GLU 123 123 4284 1 . MET 124 124 4284 1 . ILE 125 125 4284 1 . ARG 126 126 4284 1 . GLU 127 127 4284 1 . ALA 128 128 4284 1 . ASP 129 129 4284 1 . ILE 130 130 4284 1 . ASP 131 131 4284 1 . GLY 132 132 4284 1 . ASP 133 133 4284 1 . GLY 134 134 4284 1 . GLN 135 135 4284 1 . VAL 136 136 4284 1 . ASN 137 137 4284 1 . TYR 138 138 4284 1 . GLU 139 139 4284 1 . GLU 140 140 4284 1 . PHE 141 141 4284 1 . VAL 142 142 4284 1 . GLN 143 143 4284 1 . MET 144 144 4284 1 . MET 145 145 4284 1 . THR 146 146 4284 1 . ALA 147 147 4284 1 . LYS 148 148 4284 1 stop_ save_ save_C20W _Entity.Sf_category entity _Entity.Sf_framecode C20W _Entity.Entry_ID 4284 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'C20W peptide' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LRRGQILWFRGLNRIQTQIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID C20W abbreviation 4284 2 'C20W peptide' common 4284 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . LEU . 4284 2 2 . ARG . 4284 2 3 . ARG . 4284 2 4 . GLY . 4284 2 5 . GLN . 4284 2 6 . ILE . 4284 2 7 . LEU . 4284 2 8 . TRP . 4284 2 9 . PHE . 4284 2 10 . ARG . 4284 2 11 . GLY . 4284 2 12 . LEU . 4284 2 13 . ASN . 4284 2 14 . ARG . 4284 2 15 . ILE . 4284 2 16 . GLN . 4284 2 17 . THR . 4284 2 18 . GLN . 4284 2 19 . ILE . 4284 2 20 . LYS . 4284 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LEU 1 1 4284 2 . ARG 2 2 4284 2 . ARG 3 3 4284 2 . GLY 4 4 4284 2 . GLN 5 5 4284 2 . ILE 6 6 4284 2 . LEU 7 7 4284 2 . TRP 8 8 4284 2 . PHE 9 9 4284 2 . ARG 10 10 4284 2 . GLY 11 11 4284 2 . LEU 12 12 4284 2 . ASN 13 13 4284 2 . ARG 14 14 4284 2 . ILE 15 15 4284 2 . GLN 16 16 4284 2 . THR 17 17 4284 2 . GLN 18 18 4284 2 . ILE 19 19 4284 2 . LYS 20 20 4284 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4284 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 4284 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 4284 3 CA 'Three letter code' 4284 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 4284 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 4284 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4284 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaM . 8355 . . 'Xenopus laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . . . . . . . . . 4284 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4284 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaM . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli . . . . . . . . . . . . . plasmid . . pTSNco12 . . . . . . 4284 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4284 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4284 CA [Ca++] SMILES CACTVS 3.341 4284 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4284 CA [Ca+2] SMILES ACDLabs 10.04 4284 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4284 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4284 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4284 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4284 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4284 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4284 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4284 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Calmodulin . . . 1 $CaM . . 1.7 . . mM . . . . 4284 1 2 'C20W peptide' . . . 2 $C20W . . 1.7 . . mM . . . . 4284 1 3 KCl . . . . . . . 100 . . mM . . . . 4284 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 4284 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4284 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 4284 1 temperature 303 0.05 K 4284 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4284 _Software.ID 1 _Software.Name FELIX _Software.Version 970 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Molecular Simulations Inc.' '9685 Scranton Road, San Diego, CA 92121-2777' 'USA http://www.msi.com/' 4284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'resonance assignment' 4284 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4284 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4284 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4284 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker DRX . 600 . . . 4284 1 2 NMR_spectrometer_two Bruker DRX . 800 . . . 4284 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4284 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 15N-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 2 13C-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 3 HNCO . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 4 HNCA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 5 CBCACONH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 6 CBCANH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 7 HBHA(CO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 8 HCCH-TOCSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 9 (H)CC(CO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 10 H(CCCO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 11 NOESY-13C-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 12 NOESY-15N-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 13 (HB)CB(CCarom)H . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 14 HMBC-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 15 LRCC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 16 12C,14N-NOESY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4284 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name (H)CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name H(CCCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name NOESY-13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name NOESY-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name (HB)CB(CCarom)H _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HMBC-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name LRCC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4284 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name 12C,14N-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4284 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4284 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4284 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4284 1 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4284 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4284 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA CA C 13 52.141 0.1 . 1 . . . . . . . . 4284 1 2 . 1 1 1 1 ALA C C 13 175.940 0.1 . 1 . . . . . . . . 4284 1 3 . 1 1 1 1 ALA CB C 13 19.123 0.1 . 1 . . . . . . . . 4284 1 4 . 1 1 1 1 ALA HB1 H 1 1.146 0.05 . 1 . . . . . . . . 4284 1 5 . 1 1 1 1 ALA HB2 H 1 1.146 0.05 . 1 . . . . . . . . 4284 1 6 . 1 1 1 1 ALA HB3 H 1 1.146 0.05 . 1 . . . . . . . . 4284 1 7 . 1 1 1 1 ALA HA H 1 4.102 0.05 . 1 . . . . . . . . 4284 1 8 . 1 1 2 2 ASP CA C 13 58.836 0.1 . 1 . . . . . . . . 4284 1 9 . 1 1 2 2 ASP CB C 13 40.064 0.1 . 1 . . . . . . . . 4284 1 10 . 1 1 2 2 ASP N N 15 123.043 0.05 . 1 . . . . . . . . 4284 1 11 . 1 1 2 2 ASP HB3 H 1 1.780 0.05 . 2 . . . . . . . . 4284 1 12 . 1 1 2 2 ASP HB2 H 1 2.340 0.05 . 2 . . . . . . . . 4284 1 13 . 1 1 2 2 ASP HA H 1 3.780 0.05 . 1 . . . . . . . . 4284 1 14 . 1 1 2 2 ASP H H 1 7.488 0.05 . 1 . . . . . . . . 4284 1 15 . 1 1 4 4 LEU CA C 13 54.480 0.1 . 1 . . . . . . . . 4284 1 16 . 1 1 4 4 LEU C C 13 177.590 0.1 . 1 . . . . . . . . 4284 1 17 . 1 1 4 4 LEU CB C 13 43.301 0.1 . 1 . . . . . . . . 4284 1 18 . 1 1 4 4 LEU CG C 13 26.663 0.1 . 1 . . . . . . . . 4284 1 19 . 1 1 4 4 LEU CD1 C 13 23.543 0.1 . 1 . . . . . . . . 4284 1 20 . 1 1 4 4 LEU CD2 C 13 23.543 0.1 . 1 . . . . . . . . 4284 1 21 . 1 1 4 4 LEU N N 15 122.412 0.05 . 1 . . . . . . . . 4284 1 22 . 1 1 4 4 LEU HG H 1 1.661 0.05 . 1 . . . . . . . . 4284 1 23 . 1 1 4 4 LEU HB3 H 1 1.417 0.05 . 2 . . . . . . . . 4284 1 24 . 1 1 4 4 LEU HB2 H 1 1.661 0.05 . 2 . . . . . . . . 4284 1 25 . 1 1 4 4 LEU HA H 1 4.661 0.05 . 1 . . . . . . . . 4284 1 26 . 1 1 4 4 LEU H H 1 8.171 0.05 . 1 . . . . . . . . 4284 1 27 . 1 1 5 5 THR CA C 13 60.353 0.1 . 1 . . . . . . . . 4284 1 28 . 1 1 5 5 THR C C 13 175.320 0.1 . 1 . . . . . . . . 4284 1 29 . 1 1 5 5 THR CB C 13 71.065 0.1 . 1 . . . . . . . . 4284 1 30 . 1 1 5 5 THR N N 15 112.360 0.05 . 1 . . . . . . . . 4284 1 31 . 1 1 5 5 THR HG21 H 1 1.240 0.05 . 1 . . . . . . . . 4284 1 32 . 1 1 5 5 THR HG22 H 1 1.240 0.05 . 1 . . . . . . . . 4284 1 33 . 1 1 5 5 THR HG23 H 1 1.240 0.05 . 1 . . . . . . . . 4284 1 34 . 1 1 5 5 THR HB H 1 4.590 0.05 . 1 . . . . . . . . 4284 1 35 . 1 1 5 5 THR HA H 1 4.370 0.05 . 1 . . . . . . . . 4284 1 36 . 1 1 5 5 THR H H 1 8.617 0.05 . 1 . . . . . . . . 4284 1 37 . 1 1 6 6 GLU CA C 13 60.042 0.1 . 1 . . . . . . . . 4284 1 38 . 1 1 6 6 GLU C C 13 179.410 0.1 . 1 . . . . . . . . 4284 1 39 . 1 1 6 6 GLU CB C 13 28.834 0.1 . 1 . . . . . . . . 4284 1 40 . 1 1 6 6 GLU CG C 13 36.282 0.1 . 1 . . . . . . . . 4284 1 41 . 1 1 6 6 GLU N N 15 119.829 0.05 . 1 . . . . . . . . 4284 1 42 . 1 1 6 6 GLU HG3 H 1 2.280 0.05 . 1 . . . . . . . . 4284 1 43 . 1 1 6 6 GLU HG2 H 1 2.280 0.05 . 1 . . . . . . . . 4284 1 44 . 1 1 6 6 GLU HB3 H 1 1.950 0.05 . 1 . . . . . . . . 4284 1 45 . 1 1 6 6 GLU HB2 H 1 1.950 0.05 . 1 . . . . . . . . 4284 1 46 . 1 1 6 6 GLU HA H 1 3.880 0.05 . 1 . . . . . . . . 4284 1 47 . 1 1 6 6 GLU H H 1 8.914 0.05 . 1 . . . . . . . . 4284 1 48 . 1 1 7 7 GLU CA C 13 59.914 0.1 . 1 . . . . . . . . 4284 1 49 . 1 1 7 7 GLU C C 13 179.120 0.1 . 1 . . . . . . . . 4284 1 50 . 1 1 7 7 GLU CB C 13 28.702 0.1 . 1 . . . . . . . . 4284 1 51 . 1 1 7 7 GLU CG C 13 36.802 0.1 . 1 . . . . . . . . 4284 1 52 . 1 1 7 7 GLU N N 15 118.842 0.05 . 1 . . . . . . . . 4284 1 53 . 1 1 7 7 GLU HG3 H 1 2.230 0.05 . 1 . . . . . . . . 4284 1 54 . 1 1 7 7 GLU HG2 H 1 2.230 0.05 . 1 . . . . . . . . 4284 1 55 . 1 1 7 7 GLU HB3 H 1 1.930 0.05 . 1 . . . . . . . . 4284 1 56 . 1 1 7 7 GLU HB2 H 1 1.930 0.05 . 1 . . . . . . . . 4284 1 57 . 1 1 7 7 GLU HA H 1 3.950 0.05 . 1 . . . . . . . . 4284 1 58 . 1 1 7 7 GLU H H 1 8.622 0.05 . 1 . . . . . . . . 4284 1 59 . 1 1 8 8 GLN CA C 13 58.536 0.1 . 1 . . . . . . . . 4284 1 60 . 1 1 8 8 GLN C C 13 178.160 0.1 . 1 . . . . . . . . 4284 1 61 . 1 1 8 8 GLN CB C 13 28.746 0.1 . 1 . . . . . . . . 4284 1 62 . 1 1 8 8 GLN CG C 13 34.462 0.1 . 1 . . . . . . . . 4284 1 63 . 1 1 8 8 GLN N N 15 119.692 0.05 . 1 . . . . . . . . 4284 1 64 . 1 1 8 8 GLN HG3 H 1 2.240 0.05 . 1 . . . . . . . . 4284 1 65 . 1 1 8 8 GLN HG2 H 1 2.240 0.05 . 1 . . . . . . . . 4284 1 66 . 1 1 8 8 GLN HB3 H 1 1.890 0.05 . 1 . . . . . . . . 4284 1 67 . 1 1 8 8 GLN HB2 H 1 1.890 0.05 . 1 . . . . . . . . 4284 1 68 . 1 1 8 8 GLN HA H 1 3.770 0.05 . 1 . . . . . . . . 4284 1 69 . 1 1 8 8 GLN H H 1 7.629 0.05 . 1 . . . . . . . . 4284 1 70 . 1 1 9 9 ILE CA C 13 66.090 0.1 . 1 . . . . . . . . 4284 1 71 . 1 1 9 9 ILE CB C 13 37.556 0.1 . 1 . . . . . . . . 4284 1 72 . 1 1 9 9 ILE CG1 C 13 29.523 0.1 . 1 . . . . . . . . 4284 1 73 . 1 1 9 9 ILE CG2 C 13 17.044 0.1 . 1 . . . . . . . . 4284 1 74 . 1 1 9 9 ILE N N 15 118.892 0.05 . 1 . . . . . . . . 4284 1 75 . 1 1 9 9 ILE HD11 H 1 0.780 0.05 . 1 . . . . . . . . 4284 1 76 . 1 1 9 9 ILE HD12 H 1 0.780 0.05 . 1 . . . . . . . . 4284 1 77 . 1 1 9 9 ILE HD13 H 1 0.780 0.05 . 1 . . . . . . . . 4284 1 78 . 1 1 9 9 ILE HG21 H 1 1.000 0.05 . 1 . . . . . . . . 4284 1 79 . 1 1 9 9 ILE HG22 H 1 1.000 0.05 . 1 . . . . . . . . 4284 1 80 . 1 1 9 9 ILE HG23 H 1 1.000 0.05 . 1 . . . . . . . . 4284 1 81 . 1 1 9 9 ILE HG13 H 1 1.720 0.05 . 1 . . . . . . . . 4284 1 82 . 1 1 9 9 ILE HG12 H 1 1.720 0.05 . 1 . . . . . . . . 4284 1 83 . 1 1 9 9 ILE HB H 1 1.830 0.05 . 1 . . . . . . . . 4284 1 84 . 1 1 9 9 ILE HA H 1 3.610 0.05 . 1 . . . . . . . . 4284 1 85 . 1 1 9 9 ILE H H 1 8.274 0.05 . 1 . . . . . . . . 4284 1 86 . 1 1 10 10 ALA CA C 13 55.331 0.1 . 1 . . . . . . . . 4284 1 87 . 1 1 10 10 ALA C C 13 179.160 0.1 . 1 . . . . . . . . 4284 1 88 . 1 1 10 10 ALA CB C 13 17.510 0.1 . 1 . . . . . . . . 4284 1 89 . 1 1 10 10 ALA N N 15 120.481 0.05 . 1 . . . . . . . . 4284 1 90 . 1 1 10 10 ALA HB1 H 1 1.430 0.05 . 1 . . . . . . . . 4284 1 91 . 1 1 10 10 ALA HB2 H 1 1.430 0.05 . 1 . . . . . . . . 4284 1 92 . 1 1 10 10 ALA HB3 H 1 1.430 0.05 . 1 . . . . . . . . 4284 1 93 . 1 1 10 10 ALA HA H 1 4.030 0.05 . 1 . . . . . . . . 4284 1 94 . 1 1 10 10 ALA H H 1 7.896 0.05 . 1 . . . . . . . . 4284 1 95 . 1 1 11 11 GLU CA C 13 58.857 0.1 . 1 . . . . . . . . 4284 1 96 . 1 1 11 11 GLU C C 13 180.430 0.1 . 1 . . . . . . . . 4284 1 97 . 1 1 11 11 GLU CB C 13 29.431 0.1 . 1 . . . . . . . . 4284 1 98 . 1 1 11 11 GLU CG C 13 35.762 0.1 . 1 . . . . . . . . 4284 1 99 . 1 1 11 11 GLU N N 15 118.406 0.05 . 1 . . . . . . . . 4284 1 100 . 1 1 11 11 GLU HG3 H 1 2.250 0.05 . 1 . . . . . . . . 4284 1 101 . 1 1 11 11 GLU HG2 H 1 2.250 0.05 . 1 . . . . . . . . 4284 1 102 . 1 1 11 11 GLU HB3 H 1 1.950 0.05 . 1 . . . . . . . . 4284 1 103 . 1 1 11 11 GLU HB2 H 1 1.950 0.05 . 1 . . . . . . . . 4284 1 104 . 1 1 11 11 GLU HA H 1 4.080 0.05 . 1 . . . . . . . . 4284 1 105 . 1 1 11 11 GLU H H 1 7.576 0.05 . 1 . . . . . . . . 4284 1 106 . 1 1 12 12 PHE CA C 13 59.077 0.1 . 1 . . . . . . . . 4284 1 107 . 1 1 12 12 PHE C C 13 178.640 0.1 . 1 . . . . . . . . 4284 1 108 . 1 1 12 12 PHE CB C 13 37.452 0.1 . 1 . . . . . . . . 4284 1 109 . 1 1 12 12 PHE CD1 C 13 130.673 0.1 . 1 . . . . . . . . 4284 1 110 . 1 1 12 12 PHE CD2 C 13 130.673 0.1 . 1 . . . . . . . . 4284 1 111 . 1 1 12 12 PHE N N 15 119.489 0.05 . 1 . . . . . . . . 4284 1 112 . 1 1 12 12 PHE HD2 H 1 7.031 0.05 . 1 . . . . . . . . 4284 1 113 . 1 1 12 12 PHE HE2 H 1 7.105 0.05 . 1 . . . . . . . . 4284 1 114 . 1 1 12 12 PHE HZ H 1 7.113 0.05 . 1 . . . . . . . . 4284 1 115 . 1 1 12 12 PHE HE1 H 1 7.105 0.05 . 1 . . . . . . . . 4284 1 116 . 1 1 12 12 PHE HD1 H 1 7.031 0.05 . 1 . . . . . . . . 4284 1 117 . 1 1 12 12 PHE HB3 H 1 3.380 0.05 . 1 . . . . . . . . 4284 1 118 . 1 1 12 12 PHE HB2 H 1 3.380 0.05 . 1 . . . . . . . . 4284 1 119 . 1 1 12 12 PHE HA H 1 4.940 0.05 . 1 . . . . . . . . 4284 1 120 . 1 1 12 12 PHE H H 1 8.486 0.05 . 1 . . . . . . . . 4284 1 121 . 1 1 13 13 LYS CA C 13 60.001 0.1 . 1 . . . . . . . . 4284 1 122 . 1 1 13 13 LYS CB C 13 31.510 0.1 . 1 . . . . . . . . 4284 1 123 . 1 1 13 13 LYS CG C 13 25.103 0.1 . 1 . . . . . . . . 4284 1 124 . 1 1 13 13 LYS CD C 13 28.743 0.1 . 1 . . . . . . . . 4284 1 125 . 1 1 13 13 LYS CE C 13 39.402 0.1 . 1 . . . . . . . . 4284 1 126 . 1 1 13 13 LYS N N 15 122.906 0.05 . 1 . . . . . . . . 4284 1 127 . 1 1 13 13 LYS HG3 H 1 0.939 0.05 . 1 . . . . . . . . 4284 1 128 . 1 1 13 13 LYS HG2 H 1 0.939 0.05 . 1 . . . . . . . . 4284 1 129 . 1 1 13 13 LYS HB3 H 1 1.830 0.05 . 1 . . . . . . . . 4284 1 130 . 1 1 13 13 LYS HB2 H 1 1.830 0.05 . 1 . . . . . . . . 4284 1 131 . 1 1 13 13 LYS HA H 1 3.980 0.05 . 1 . . . . . . . . 4284 1 132 . 1 1 13 13 LYS H H 1 9.101 0.05 . 1 . . . . . . . . 4284 1 133 . 1 1 14 14 GLU CA C 13 59.308 0.1 . 1 . . . . . . . . 4284 1 134 . 1 1 14 14 GLU C C 13 179.430 0.1 . 1 . . . . . . . . 4284 1 135 . 1 1 14 14 GLU CB C 13 28.781 0.1 . 1 . . . . . . . . 4284 1 136 . 1 1 14 14 GLU CG C 13 35.762 0.1 . 1 . . . . . . . . 4284 1 137 . 1 1 14 14 GLU N N 15 119.738 0.05 . 1 . . . . . . . . 4284 1 138 . 1 1 14 14 GLU HG3 H 1 2.320 0.05 . 1 . . . . . . . . 4284 1 139 . 1 1 14 14 GLU HG2 H 1 2.320 0.05 . 1 . . . . . . . . 4284 1 140 . 1 1 14 14 GLU HB3 H 1 2.140 0.05 . 1 . . . . . . . . 4284 1 141 . 1 1 14 14 GLU HB2 H 1 2.140 0.05 . 1 . . . . . . . . 4284 1 142 . 1 1 14 14 GLU HA H 1 4.050 0.05 . 1 . . . . . . . . 4284 1 143 . 1 1 14 14 GLU H H 1 7.694 0.05 . 1 . . . . . . . . 4284 1 144 . 1 1 15 15 ALA CA C 13 55.242 0.1 . 1 . . . . . . . . 4284 1 145 . 1 1 15 15 ALA C C 13 178.900 0.1 . 1 . . . . . . . . 4284 1 146 . 1 1 15 15 ALA CB C 13 17.620 0.1 . 1 . . . . . . . . 4284 1 147 . 1 1 15 15 ALA N N 15 121.966 0.05 . 1 . . . . . . . . 4284 1 148 . 1 1 15 15 ALA HB1 H 1 1.870 0.05 . 1 . . . . . . . . 4284 1 149 . 1 1 15 15 ALA HB2 H 1 1.870 0.05 . 1 . . . . . . . . 4284 1 150 . 1 1 15 15 ALA HB3 H 1 1.870 0.05 . 1 . . . . . . . . 4284 1 151 . 1 1 15 15 ALA HA H 1 4.180 0.05 . 1 . . . . . . . . 4284 1 152 . 1 1 15 15 ALA H H 1 7.902 0.05 . 1 . . . . . . . . 4284 1 153 . 1 1 16 16 PHE CA C 13 61.874 0.1 . 1 . . . . . . . . 4284 1 154 . 1 1 16 16 PHE C C 13 177.210 0.1 . 1 . . . . . . . . 4284 1 155 . 1 1 16 16 PHE CB C 13 39.313 0.1 . 1 . . . . . . . . 4284 1 156 . 1 1 16 16 PHE N N 15 118.557 0.05 . 1 . . . . . . . . 4284 1 157 . 1 1 16 16 PHE HD2 H 1 6.524 0.05 . 1 . . . . . . . . 4284 1 158 . 1 1 16 16 PHE HE2 H 1 7.075 0.05 . 1 . . . . . . . . 4284 1 159 . 1 1 16 16 PHE HZ H 1 7.196 0.05 . 1 . . . . . . . . 4284 1 160 . 1 1 16 16 PHE HE1 H 1 7.075 0.05 . 1 . . . . . . . . 4284 1 161 . 1 1 16 16 PHE HD1 H 1 6.524 0.05 . 1 . . . . . . . . 4284 1 162 . 1 1 16 16 PHE HB3 H 1 3.127 0.05 . 2 . . . . . . . . 4284 1 163 . 1 1 16 16 PHE HB2 H 1 2.830 0.05 . 2 . . . . . . . . 4284 1 164 . 1 1 16 16 PHE HA H 1 3.120 0.05 . 1 . . . . . . . . 4284 1 165 . 1 1 16 16 PHE H H 1 8.706 0.05 . 1 . . . . . . . . 4284 1 166 . 1 1 17 17 SER CA C 13 61.468 0.1 . 1 . . . . . . . . 4284 1 167 . 1 1 17 17 SER C C 13 174.750 0.1 . 1 . . . . . . . . 4284 1 168 . 1 1 17 17 SER CB C 13 63.224 0.1 . 1 . . . . . . . . 4284 1 169 . 1 1 17 17 SER N N 15 112.018 0.05 . 1 . . . . . . . . 4284 1 170 . 1 1 17 17 SER HB3 H 1 3.970 0.05 . 1 . . . . . . . . 4284 1 171 . 1 1 17 17 SER HB2 H 1 3.970 0.05 . 1 . . . . . . . . 4284 1 172 . 1 1 17 17 SER HA H 1 3.970 0.05 . 1 . . . . . . . . 4284 1 173 . 1 1 17 17 SER H H 1 7.837 0.05 . 1 . . . . . . . . 4284 1 174 . 1 1 18 18 LEU CA C 13 57.076 0.1 . 1 . . . . . . . . 4284 1 175 . 1 1 18 18 LEU C C 13 177.840 0.1 . 1 . . . . . . . . 4284 1 176 . 1 1 18 18 LEU CB C 13 41.222 0.1 . 1 . . . . . . . . 4284 1 177 . 1 1 18 18 LEU N N 15 120.220 0.05 . 1 . . . . . . . . 4284 1 178 . 1 1 18 18 LEU HD21 H 1 0.625 0.05 . 2 . . . . . . . . 4284 1 179 . 1 1 18 18 LEU HD22 H 1 0.625 0.05 . 2 . . . . . . . . 4284 1 180 . 1 1 18 18 LEU HD23 H 1 0.625 0.05 . 2 . . . . . . . . 4284 1 181 . 1 1 18 18 LEU HD11 H 1 0.731 0.05 . 2 . . . . . . . . 4284 1 182 . 1 1 18 18 LEU HD12 H 1 0.731 0.05 . 2 . . . . . . . . 4284 1 183 . 1 1 18 18 LEU HD13 H 1 0.731 0.05 . 2 . . . . . . . . 4284 1 184 . 1 1 18 18 LEU HG H 1 1.370 0.05 . 1 . . . . . . . . 4284 1 185 . 1 1 18 18 LEU HB3 H 1 1.580 0.05 . 1 . . . . . . . . 4284 1 186 . 1 1 18 18 LEU HB2 H 1 1.580 0.05 . 1 . . . . . . . . 4284 1 187 . 1 1 18 18 LEU HA H 1 3.930 0.05 . 1 . . . . . . . . 4284 1 188 . 1 1 18 18 LEU H H 1 7.312 0.05 . 1 . . . . . . . . 4284 1 189 . 1 1 19 19 PHE CA C 13 59.250 0.1 . 1 . . . . . . . . 4284 1 190 . 1 1 19 19 PHE C C 13 176.510 0.1 . 1 . . . . . . . . 4284 1 191 . 1 1 19 19 PHE CB C 13 40.788 0.1 . 1 . . . . . . . . 4284 1 192 . 1 1 19 19 PHE N N 15 114.164 0.05 . 1 . . . . . . . . 4284 1 193 . 1 1 19 19 PHE HD2 H 1 7.180 0.05 . 1 . . . . . . . . 4284 1 194 . 1 1 19 19 PHE HE2 H 1 7.248 0.05 . 1 . . . . . . . . 4284 1 195 . 1 1 19 19 PHE HE1 H 1 7.248 0.05 . 1 . . . . . . . . 4284 1 196 . 1 1 19 19 PHE HD1 H 1 7.180 0.05 . 1 . . . . . . . . 4284 1 197 . 1 1 19 19 PHE HB3 H 1 2.570 0.05 . 1 . . . . . . . . 4284 1 198 . 1 1 19 19 PHE HB2 H 1 2.570 0.05 . 1 . . . . . . . . 4284 1 199 . 1 1 19 19 PHE HA H 1 4.100 0.05 . 1 . . . . . . . . 4284 1 200 . 1 1 19 19 PHE H H 1 7.147 0.05 . 1 . . . . . . . . 4284 1 201 . 1 1 20 20 ASP CA C 13 52.251 0.1 . 1 . . . . . . . . 4284 1 202 . 1 1 20 20 ASP C C 13 177.050 0.1 . 1 . . . . . . . . 4284 1 203 . 1 1 20 20 ASP CB C 13 38.760 0.1 . 1 . . . . . . . . 4284 1 204 . 1 1 20 20 ASP N N 15 116.801 0.05 . 1 . . . . . . . . 4284 1 205 . 1 1 20 20 ASP HB3 H 1 1.430 0.05 . 2 . . . . . . . . 4284 1 206 . 1 1 20 20 ASP HB2 H 1 2.290 0.05 . 2 . . . . . . . . 4284 1 207 . 1 1 20 20 ASP HA H 1 4.470 0.05 . 1 . . . . . . . . 4284 1 208 . 1 1 20 20 ASP H H 1 7.698 0.05 . 1 . . . . . . . . 4284 1 209 . 1 1 21 21 LYS CA C 13 58.477 0.1 . 1 . . . . . . . . 4284 1 210 . 1 1 21 21 LYS CB C 13 32.244 0.1 . 1 . . . . . . . . 4284 1 211 . 1 1 21 21 LYS CG C 13 24.323 0.1 . 1 . . . . . . . . 4284 1 212 . 1 1 21 21 LYS CD C 13 27.963 0.1 . 1 . . . . . . . . 4284 1 213 . 1 1 21 21 LYS CE C 13 42.002 0.1 . 1 . . . . . . . . 4284 1 214 . 1 1 21 21 LYS N N 15 123.973 0.05 . 1 . . . . . . . . 4284 1 215 . 1 1 21 21 LYS HE3 H 1 2.920 0.05 . 1 . . . . . . . . 4284 1 216 . 1 1 21 21 LYS HE2 H 1 2.920 0.05 . 1 . . . . . . . . 4284 1 217 . 1 1 21 21 LYS HD3 H 1 1.790 0.05 . 1 . . . . . . . . 4284 1 218 . 1 1 21 21 LYS HD2 H 1 1.790 0.05 . 1 . . . . . . . . 4284 1 219 . 1 1 21 21 LYS HG3 H 1 1.420 0.05 . 1 . . . . . . . . 4284 1 220 . 1 1 21 21 LYS HG2 H 1 1.420 0.05 . 1 . . . . . . . . 4284 1 221 . 1 1 21 21 LYS HB3 H 1 1.790 0.05 . 1 . . . . . . . . 4284 1 222 . 1 1 21 21 LYS HB2 H 1 1.790 0.05 . 1 . . . . . . . . 4284 1 223 . 1 1 21 21 LYS HA H 1 3.880 0.05 . 1 . . . . . . . . 4284 1 224 . 1 1 21 21 LYS H H 1 7.591 0.05 . 1 . . . . . . . . 4284 1 225 . 1 1 22 22 ASP CA C 13 52.699 0.1 . 1 . . . . . . . . 4284 1 226 . 1 1 22 22 ASP C C 13 177.630 0.1 . 1 . . . . . . . . 4284 1 227 . 1 1 22 22 ASP CB C 13 39.343 0.1 . 1 . . . . . . . . 4284 1 228 . 1 1 22 22 ASP N N 15 113.315 0.05 . 1 . . . . . . . . 4284 1 229 . 1 1 22 22 ASP HB3 H 1 2.540 0.05 . 2 . . . . . . . . 4284 1 230 . 1 1 22 22 ASP HB2 H 1 2.950 0.05 . 2 . . . . . . . . 4284 1 231 . 1 1 22 22 ASP HA H 1 4.490 0.05 . 1 . . . . . . . . 4284 1 232 . 1 1 22 22 ASP H H 1 8.000 0.05 . 1 . . . . . . . . 4284 1 233 . 1 1 23 23 GLY CA C 13 47.144 0.1 . 1 . . . . . . . . 4284 1 234 . 1 1 23 23 GLY C C 13 175.000 0.1 . 1 . . . . . . . . 4284 1 235 . 1 1 23 23 GLY N N 15 108.678 0.05 . 1 . . . . . . . . 4284 1 236 . 1 1 23 23 GLY HA3 H 1 3.780 0.05 . 1 . . . . . . . . 4284 1 237 . 1 1 23 23 GLY HA2 H 1 3.780 0.05 . 1 . . . . . . . . 4284 1 238 . 1 1 23 23 GLY H H 1 7.587 0.05 . 1 . . . . . . . . 4284 1 239 . 1 1 24 24 ASP CA C 13 53.591 0.1 . 1 . . . . . . . . 4284 1 240 . 1 1 24 24 ASP C C 13 177.360 0.1 . 1 . . . . . . . . 4284 1 241 . 1 1 24 24 ASP CB C 13 40.157 0.1 . 1 . . . . . . . . 4284 1 242 . 1 1 24 24 ASP N N 15 120.112 0.05 . 1 . . . . . . . . 4284 1 243 . 1 1 24 24 ASP HB3 H 1 2.360 0.05 . 2 . . . . . . . . 4284 1 244 . 1 1 24 24 ASP HB2 H 1 2.950 0.05 . 2 . . . . . . . . 4284 1 245 . 1 1 24 24 ASP HA H 1 4.420 0.05 . 1 . . . . . . . . 4284 1 246 . 1 1 24 24 ASP H H 1 8.304 0.05 . 1 . . . . . . . . 4284 1 247 . 1 1 25 25 GLY CA C 13 45.285 0.1 . 1 . . . . . . . . 4284 1 248 . 1 1 25 25 GLY C C 13 173.520 0.1 . 1 . . . . . . . . 4284 1 249 . 1 1 25 25 GLY N N 15 112.549 0.05 . 1 . . . . . . . . 4284 1 250 . 1 1 25 25 GLY HA3 H 1 3.610 0.05 . 2 . . . . . . . . 4284 1 251 . 1 1 25 25 GLY HA2 H 1 4.280 0.05 . 2 . . . . . . . . 4284 1 252 . 1 1 25 25 GLY H H 1 10.530 0.05 . 1 . . . . . . . . 4284 1 253 . 1 1 26 26 THR CA C 13 59.779 0.1 . 1 . . . . . . . . 4284 1 254 . 1 1 26 26 THR C C 13 172.710 0.1 . 1 . . . . . . . . 4284 1 255 . 1 1 26 26 THR CB C 13 72.452 0.1 . 1 . . . . . . . . 4284 1 256 . 1 1 26 26 THR N N 15 112.239 0.05 . 1 . . . . . . . . 4284 1 257 . 1 1 26 26 THR HG21 H 1 0.954 0.05 . 1 . . . . . . . . 4284 1 258 . 1 1 26 26 THR HG22 H 1 0.954 0.05 . 1 . . . . . . . . 4284 1 259 . 1 1 26 26 THR HG23 H 1 0.954 0.05 . 1 . . . . . . . . 4284 1 260 . 1 1 26 26 THR HB H 1 3.736 0.05 . 1 . . . . . . . . 4284 1 261 . 1 1 26 26 THR HA H 1 5.230 0.05 . 1 . . . . . . . . 4284 1 262 . 1 1 26 26 THR H H 1 8.046 0.05 . 1 . . . . . . . . 4284 1 263 . 1 1 27 27 ILE CA C 13 60.345 0.1 . 1 . . . . . . . . 4284 1 264 . 1 1 27 27 ILE C C 13 175.950 0.1 . 1 . . . . . . . . 4284 1 265 . 1 1 27 27 ILE CB C 13 39.402 0.1 . 1 . . . . . . . . 4284 1 266 . 1 1 27 27 ILE CG1 C 13 26.403 0.1 . 1 . . . . . . . . 4284 1 267 . 1 1 27 27 ILE CG2 C 13 15.250 0.1 . 1 . . . . . . . . 4284 1 268 . 1 1 27 27 ILE N N 15 126.303 0.05 . 1 . . . . . . . . 4284 1 269 . 1 1 27 27 ILE HD11 H 1 0.748 0.05 . 1 . . . . . . . . 4284 1 270 . 1 1 27 27 ILE HD12 H 1 0.748 0.05 . 1 . . . . . . . . 4284 1 271 . 1 1 27 27 ILE HD13 H 1 0.748 0.05 . 1 . . . . . . . . 4284 1 272 . 1 1 27 27 ILE HG21 H 1 0.156 0.05 . 1 . . . . . . . . 4284 1 273 . 1 1 27 27 ILE HG22 H 1 0.156 0.05 . 1 . . . . . . . . 4284 1 274 . 1 1 27 27 ILE HG23 H 1 0.156 0.05 . 1 . . . . . . . . 4284 1 275 . 1 1 27 27 ILE HG13 H 1 1.010 0.05 . 1 . . . . . . . . 4284 1 276 . 1 1 27 27 ILE HG12 H 1 1.010 0.05 . 1 . . . . . . . . 4284 1 277 . 1 1 27 27 ILE HB H 1 1.670 0.05 . 1 . . . . . . . . 4284 1 278 . 1 1 27 27 ILE HA H 1 4.840 0.05 . 1 . . . . . . . . 4284 1 279 . 1 1 27 27 ILE H H 1 9.696 0.05 . 1 . . . . . . . . 4284 1 280 . 1 1 28 28 THR CA C 13 59.666 0.1 . 1 . . . . . . . . 4284 1 281 . 1 1 28 28 THR C C 13 176.360 0.1 . 1 . . . . . . . . 4284 1 282 . 1 1 28 28 THR CB C 13 72.222 0.1 . 1 . . . . . . . . 4284 1 283 . 1 1 28 28 THR N N 15 115.868 0.05 . 1 . . . . . . . . 4284 1 284 . 1 1 28 28 THR HG21 H 1 1.200 0.05 . 1 . . . . . . . . 4284 1 285 . 1 1 28 28 THR HG22 H 1 1.200 0.05 . 1 . . . . . . . . 4284 1 286 . 1 1 28 28 THR HG23 H 1 1.200 0.05 . 1 . . . . . . . . 4284 1 287 . 1 1 28 28 THR HB H 1 4.660 0.05 . 1 . . . . . . . . 4284 1 288 . 1 1 28 28 THR HA H 1 4.660 0.05 . 1 . . . . . . . . 4284 1 289 . 1 1 28 28 THR H H 1 8.368 0.05 . 1 . . . . . . . . 4284 1 290 . 1 1 29 29 THR CA C 13 66.254 0.1 . 1 . . . . . . . . 4284 1 291 . 1 1 29 29 THR C C 13 177.000 0.1 . 1 . . . . . . . . 4284 1 292 . 1 1 29 29 THR CB C 13 67.680 0.1 . 1 . . . . . . . . 4284 1 293 . 1 1 29 29 THR N N 15 112.198 0.05 . 1 . . . . . . . . 4284 1 294 . 1 1 29 29 THR HG21 H 1 1.170 0.05 . 1 . . . . . . . . 4284 1 295 . 1 1 29 29 THR HG22 H 1 1.170 0.05 . 1 . . . . . . . . 4284 1 296 . 1 1 29 29 THR HG23 H 1 1.170 0.05 . 1 . . . . . . . . 4284 1 297 . 1 1 29 29 THR HB H 1 4.110 0.05 . 1 . . . . . . . . 4284 1 298 . 1 1 29 29 THR HA H 1 3.710 0.05 . 1 . . . . . . . . 4284 1 299 . 1 1 29 29 THR H H 1 8.978 0.05 . 1 . . . . . . . . 4284 1 300 . 1 1 30 30 LYS CA C 13 59.150 0.1 . 1 . . . . . . . . 4284 1 301 . 1 1 30 30 LYS C C 13 179.790 0.1 . 1 . . . . . . . . 4284 1 302 . 1 1 30 30 LYS CB C 13 32.116 0.1 . 1 . . . . . . . . 4284 1 303 . 1 1 30 30 LYS CG C 13 24.583 0.1 . 1 . . . . . . . . 4284 1 304 . 1 1 30 30 LYS CD C 13 28.743 0.1 . 1 . . . . . . . . 4284 1 305 . 1 1 30 30 LYS CE C 13 41.742 0.1 . 1 . . . . . . . . 4284 1 306 . 1 1 30 30 LYS N N 15 120.174 0.05 . 1 . . . . . . . . 4284 1 307 . 1 1 30 30 LYS HE3 H 1 2.860 0.05 . 1 . . . . . . . . 4284 1 308 . 1 1 30 30 LYS HE2 H 1 2.860 0.05 . 1 . . . . . . . . 4284 1 309 . 1 1 30 30 LYS HG3 H 1 1.400 0.05 . 1 . . . . . . . . 4284 1 310 . 1 1 30 30 LYS HG2 H 1 1.400 0.05 . 1 . . . . . . . . 4284 1 311 . 1 1 30 30 LYS HB3 H 1 1.750 0.05 . 1 . . . . . . . . 4284 1 312 . 1 1 30 30 LYS HB2 H 1 1.750 0.05 . 1 . . . . . . . . 4284 1 313 . 1 1 30 30 LYS HA H 1 4.050 0.05 . 1 . . . . . . . . 4284 1 314 . 1 1 30 30 LYS H H 1 7.571 0.05 . 1 . . . . . . . . 4284 1 315 . 1 1 31 31 GLU CA C 13 59.128 0.1 . 1 . . . . . . . . 4284 1 316 . 1 1 31 31 GLU C C 13 178.080 0.1 . 1 . . . . . . . . 4284 1 317 . 1 1 31 31 GLU CB C 13 29.372 0.1 . 1 . . . . . . . . 4284 1 318 . 1 1 31 31 GLU CG C 13 37.842 0.1 . 1 . . . . . . . . 4284 1 319 . 1 1 31 31 GLU N N 15 120.882 0.05 . 1 . . . . . . . . 4284 1 320 . 1 1 31 31 GLU HB3 H 1 2.420 0.05 . 1 . . . . . . . . 4284 1 321 . 1 1 31 31 GLU HB2 H 1 2.420 0.05 . 1 . . . . . . . . 4284 1 322 . 1 1 31 31 GLU HA H 1 3.980 0.05 . 1 . . . . . . . . 4284 1 323 . 1 1 31 31 GLU H H 1 7.574 0.05 . 1 . . . . . . . . 4284 1 324 . 1 1 32 32 LEU CA C 13 58.814 0.1 . 1 . . . . . . . . 4284 1 325 . 1 1 32 32 LEU C C 13 178.850 0.1 . 1 . . . . . . . . 4284 1 326 . 1 1 32 32 LEU CB C 13 42.242 0.1 . 1 . . . . . . . . 4284 1 327 . 1 1 32 32 LEU CG C 13 25.623 0.1 . 1 . . . . . . . . 4284 1 328 . 1 1 32 32 LEU CD1 C 13 23.283 0.1 . 1 . . . . . . . . 4284 1 329 . 1 1 32 32 LEU CD2 C 13 23.283 0.1 . 1 . . . . . . . . 4284 1 330 . 1 1 32 32 LEU N N 15 119.063 0.05 . 1 . . . . . . . . 4284 1 331 . 1 1 32 32 LEU HB3 H 1 1.330 0.05 . 2 . . . . . . . . 4284 1 332 . 1 1 32 32 LEU HB2 H 1 1.650 0.05 . 2 . . . . . . . . 4284 1 333 . 1 1 32 32 LEU HA H 1 3.940 0.05 . 1 . . . . . . . . 4284 1 334 . 1 1 32 32 LEU H H 1 8.437 0.05 . 1 . . . . . . . . 4284 1 335 . 1 1 33 33 GLY CA C 13 48.218 0.1 . 1 . . . . . . . . 4284 1 336 . 1 1 33 33 GLY C C 13 175.030 0.1 . 1 . . . . . . . . 4284 1 337 . 1 1 33 33 GLY N N 15 104.936 0.05 . 1 . . . . . . . . 4284 1 338 . 1 1 33 33 GLY HA3 H 1 3.470 0.05 . 2 . . . . . . . . 4284 1 339 . 1 1 33 33 GLY HA2 H 1 3.890 0.05 . 2 . . . . . . . . 4284 1 340 . 1 1 33 33 GLY H H 1 8.558 0.05 . 1 . . . . . . . . 4284 1 341 . 1 1 34 34 THR CA C 13 66.785 0.1 . 1 . . . . . . . . 4284 1 342 . 1 1 34 34 THR C C 13 177.050 0.1 . 1 . . . . . . . . 4284 1 343 . 1 1 34 34 THR CB C 13 68.582 0.1 . 1 . . . . . . . . 4284 1 344 . 1 1 34 34 THR N N 15 117.460 0.05 . 1 . . . . . . . . 4284 1 345 . 1 1 34 34 THR HG21 H 1 1.180 0.05 . 1 . . . . . . . . 4284 1 346 . 1 1 34 34 THR HG22 H 1 1.180 0.05 . 1 . . . . . . . . 4284 1 347 . 1 1 34 34 THR HG23 H 1 1.180 0.05 . 1 . . . . . . . . 4284 1 348 . 1 1 34 34 THR HB H 1 4.240 0.05 . 1 . . . . . . . . 4284 1 349 . 1 1 34 34 THR HA H 1 3.800 0.05 . 1 . . . . . . . . 4284 1 350 . 1 1 34 34 THR H H 1 7.838 0.05 . 1 . . . . . . . . 4284 1 351 . 1 1 35 35 VAL CA C 13 66.257 0.1 . 1 . . . . . . . . 4284 1 352 . 1 1 35 35 VAL C C 13 179.110 0.1 . 1 . . . . . . . . 4284 1 353 . 1 1 35 35 VAL CB C 13 31.024 0.1 . 1 . . . . . . . . 4284 1 354 . 1 1 35 35 VAL CG1 C 13 22.503 0.1 . 1 . . . . . . . . 4284 1 355 . 1 1 35 35 VAL CG2 C 13 20.164 0.1 . 1 . . . . . . . . 4284 1 356 . 1 1 35 35 VAL N N 15 121.522 0.05 . 1 . . . . . . . . 4284 1 357 . 1 1 35 35 VAL HG21 H 1 0.317 0.05 . 2 . . . . . . . . 4284 1 358 . 1 1 35 35 VAL HG22 H 1 0.317 0.05 . 2 . . . . . . . . 4284 1 359 . 1 1 35 35 VAL HG23 H 1 0.317 0.05 . 2 . . . . . . . . 4284 1 360 . 1 1 35 35 VAL HG11 H 1 0.612 0.05 . 2 . . . . . . . . 4284 1 361 . 1 1 35 35 VAL HG12 H 1 0.612 0.05 . 2 . . . . . . . . 4284 1 362 . 1 1 35 35 VAL HG13 H 1 0.612 0.05 . 2 . . . . . . . . 4284 1 363 . 1 1 35 35 VAL HB H 1 1.890 0.05 . 1 . . . . . . . . 4284 1 364 . 1 1 35 35 VAL HA H 1 3.430 0.05 . 1 . . . . . . . . 4284 1 365 . 1 1 35 35 VAL H H 1 7.563 0.05 . 1 . . . . . . . . 4284 1 366 . 1 1 36 36 MET CA C 13 59.181 0.1 . 1 . . . . . . . . 4284 1 367 . 1 1 36 36 MET C C 13 179.120 0.1 . 1 . . . . . . . . 4284 1 368 . 1 1 36 36 MET CB C 13 31.140 0.1 . 1 . . . . . . . . 4284 1 369 . 1 1 36 36 MET CG C 13 31.648 0.1 . 1 . . . . . . . . 4284 1 370 . 1 1 36 36 MET CE C 13 16.503 0.1 . 1 . . . . . . . . 4284 1 371 . 1 1 36 36 MET N N 15 117.849 0.05 . 1 . . . . . . . . 4284 1 372 . 1 1 36 36 MET HE1 H 1 2.022 0.05 . 1 . . . . . . . . 4284 1 373 . 1 1 36 36 MET HE2 H 1 2.022 0.05 . 1 . . . . . . . . 4284 1 374 . 1 1 36 36 MET HE3 H 1 2.022 0.05 . 1 . . . . . . . . 4284 1 375 . 1 1 36 36 MET HG3 H 1 2.232 0.05 . 1 . . . . . . . . 4284 1 376 . 1 1 36 36 MET HG2 H 1 2.232 0.05 . 1 . . . . . . . . 4284 1 377 . 1 1 36 36 MET HB3 H 1 1.890 0.05 . 1 . . . . . . . . 4284 1 378 . 1 1 36 36 MET HB2 H 1 1.890 0.05 . 1 . . . . . . . . 4284 1 379 . 1 1 36 36 MET HA H 1 4.000 0.05 . 1 . . . . . . . . 4284 1 380 . 1 1 36 36 MET H H 1 8.382 0.05 . 1 . . . . . . . . 4284 1 381 . 1 1 37 37 ARG CA C 13 59.809 0.1 . 1 . . . . . . . . 4284 1 382 . 1 1 37 37 ARG C C 13 181.230 0.1 . 1 . . . . . . . . 4284 1 383 . 1 1 37 37 ARG CB C 13 37.842 0.1 . 1 . . . . . . . . 4284 1 384 . 1 1 37 37 ARG CG C 13 29.003 0.1 . 1 . . . . . . . . 4284 1 385 . 1 1 37 37 ARG CD C 13 43.301 0.1 . 1 . . . . . . . . 4284 1 386 . 1 1 37 37 ARG N N 15 118.139 0.05 . 1 . . . . . . . . 4284 1 387 . 1 1 37 37 ARG H H 1 7.959 0.05 . 1 . . . . . . . . 4284 1 388 . 1 1 38 38 SER CA C 13 61.364 0.1 . 1 . . . . . . . . 4284 1 389 . 1 1 38 38 SER C C 13 174.730 0.1 . 1 . . . . . . . . 4284 1 390 . 1 1 38 38 SER CB C 13 62.716 0.1 . 1 . . . . . . . . 4284 1 391 . 1 1 38 38 SER N N 15 118.299 0.05 . 1 . . . . . . . . 4284 1 392 . 1 1 38 38 SER HB3 H 1 4.000 0.05 . 1 . . . . . . . . 4284 1 393 . 1 1 38 38 SER HB2 H 1 4.000 0.05 . 1 . . . . . . . . 4284 1 394 . 1 1 38 38 SER HA H 1 4.310 0.05 . 1 . . . . . . . . 4284 1 395 . 1 1 38 38 SER H H 1 7.827 0.05 . 1 . . . . . . . . 4284 1 396 . 1 1 39 39 LEU CA C 13 54.394 0.1 . 1 . . . . . . . . 4284 1 397 . 1 1 39 39 LEU C C 13 177.320 0.1 . 1 . . . . . . . . 4284 1 398 . 1 1 39 39 LEU CB C 13 41.351 0.1 . 1 . . . . . . . . 4284 1 399 . 1 1 39 39 LEU CG C 13 25.363 0.1 . 1 . . . . . . . . 4284 1 400 . 1 1 39 39 LEU CD1 C 13 21.984 0.1 . 1 . . . . . . . . 4284 1 401 . 1 1 39 39 LEU CD2 C 13 21.984 0.1 . 1 . . . . . . . . 4284 1 402 . 1 1 39 39 LEU N N 15 120.055 0.05 . 1 . . . . . . . . 4284 1 403 . 1 1 39 39 LEU HG H 1 1.740 0.05 . 1 . . . . . . . . 4284 1 404 . 1 1 39 39 LEU HB3 H 1 1.740 0.05 . 1 . . . . . . . . 4284 1 405 . 1 1 39 39 LEU HB2 H 1 1.740 0.05 . 1 . . . . . . . . 4284 1 406 . 1 1 39 39 LEU HA H 1 4.380 0.05 . 1 . . . . . . . . 4284 1 407 . 1 1 39 39 LEU H H 1 7.281 0.05 . 1 . . . . . . . . 4284 1 408 . 1 1 40 40 GLY CA C 13 45.416 0.1 . 1 . . . . . . . . 4284 1 409 . 1 1 40 40 GLY N N 15 106.061 0.05 . 1 . . . . . . . . 4284 1 410 . 1 1 40 40 GLY HA3 H 1 4.180 0.05 . 2 . . . . . . . . 4284 1 411 . 1 1 40 40 GLY HA2 H 1 3.700 0.05 . 2 . . . . . . . . 4284 1 412 . 1 1 40 40 GLY H H 1 7.753 0.05 . 1 . . . . . . . . 4284 1 413 . 1 1 41 41 GLN CA C 13 54.406 0.1 . 1 . . . . . . . . 4284 1 414 . 1 1 41 41 GLN C C 13 173.970 0.1 . 1 . . . . . . . . 4284 1 415 . 1 1 41 41 GLN CB C 13 30.194 0.1 . 1 . . . . . . . . 4284 1 416 . 1 1 41 41 GLN CG C 13 33.682 0.1 . 1 . . . . . . . . 4284 1 417 . 1 1 41 41 GLN N N 15 117.769 0.05 . 1 . . . . . . . . 4284 1 418 . 1 1 41 41 GLN HE22 H 1 7.429 0.05 . 1 . . . . . . . . 4284 1 419 . 1 1 41 41 GLN HE21 H 1 6.724 0.05 . 1 . . . . . . . . 4284 1 420 . 1 1 41 41 GLN HG3 H 1 2.100 0.05 . 1 . . . . . . . . 4284 1 421 . 1 1 41 41 GLN HG2 H 1 2.100 0.05 . 1 . . . . . . . . 4284 1 422 . 1 1 41 41 GLN HB3 H 1 1.550 0.05 . 1 . . . . . . . . 4284 1 423 . 1 1 41 41 GLN HB2 H 1 1.550 0.05 . 1 . . . . . . . . 4284 1 424 . 1 1 41 41 GLN HA H 1 4.390 0.05 . 1 . . . . . . . . 4284 1 425 . 1 1 41 41 GLN H H 1 7.700 0.05 . 1 . . . . . . . . 4284 1 426 . 1 1 42 42 ASN CA C 13 51.158 0.1 . 1 . . . . . . . . 4284 1 427 . 1 1 42 42 ASN CB C 13 38.913 0.1 . 1 . . . . . . . . 4284 1 428 . 1 1 42 42 ASN ND2 N 15 111.493 0.05 . 1 . . . . . . . . 4284 1 429 . 1 1 42 42 ASN N N 15 115.763 0.05 . 1 . . . . . . . . 4284 1 430 . 1 1 42 42 ASN HD22 H 1 7.419 0.05 . 1 . . . . . . . . 4284 1 431 . 1 1 42 42 ASN HD21 H 1 6.605 0.05 . 1 . . . . . . . . 4284 1 432 . 1 1 42 42 ASN HA H 1 4.610 0.05 . 1 . . . . . . . . 4284 1 433 . 1 1 42 42 ASN H H 1 8.602 0.05 . 1 . . . . . . . . 4284 1 434 . 1 1 43 43 PRO CA C 13 62.020 0.1 . 1 . . . . . . . . 4284 1 435 . 1 1 43 43 PRO C C 13 177.590 0.1 . 1 . . . . . . . . 4284 1 436 . 1 1 43 43 PRO CB C 13 31.603 0.1 . 1 . . . . . . . . 4284 1 437 . 1 1 43 43 PRO CG C 13 26.923 0.1 . 1 . . . . . . . . 4284 1 438 . 1 1 43 43 PRO CD C 13 43.301 0.1 . 1 . . . . . . . . 4284 1 439 . 1 1 43 43 PRO HB3 H 1 2.062 0.05 . 2 . . . . . . . . 4284 1 440 . 1 1 43 43 PRO HB2 H 1 1.774 0.05 . 2 . . . . . . . . 4284 1 441 . 1 1 43 43 PRO HA H 1 4.625 0.05 . 1 . . . . . . . . 4284 1 442 . 1 1 44 44 THR CA C 13 60.363 0.1 . 1 . . . . . . . . 4284 1 443 . 1 1 44 44 THR C C 13 175.010 0.1 . 1 . . . . . . . . 4284 1 444 . 1 1 44 44 THR CB C 13 71.073 0.1 . 1 . . . . . . . . 4284 1 445 . 1 1 44 44 THR N N 15 112.354 0.05 . 1 . . . . . . . . 4284 1 446 . 1 1 44 44 THR HG21 H 1 1.250 0.05 . 1 . . . . . . . . 4284 1 447 . 1 1 44 44 THR HG22 H 1 1.250 0.05 . 1 . . . . . . . . 4284 1 448 . 1 1 44 44 THR HG23 H 1 1.250 0.05 . 1 . . . . . . . . 4284 1 449 . 1 1 44 44 THR HB H 1 4.640 0.05 . 1 . . . . . . . . 4284 1 450 . 1 1 44 44 THR HA H 1 4.360 0.05 . 1 . . . . . . . . 4284 1 451 . 1 1 44 44 THR H H 1 8.643 0.05 . 1 . . . . . . . . 4284 1 452 . 1 1 45 45 GLU CA C 13 60.060 0.1 . 1 . . . . . . . . 4284 1 453 . 1 1 45 45 GLU C C 13 178.860 0.1 . 1 . . . . . . . . 4284 1 454 . 1 1 45 45 GLU CB C 13 28.624 0.1 . 1 . . . . . . . . 4284 1 455 . 1 1 45 45 GLU CG C 13 36.022 0.1 . 1 . . . . . . . . 4284 1 456 . 1 1 45 45 GLU N N 15 120.106 0.05 . 1 . . . . . . . . 4284 1 457 . 1 1 45 45 GLU HG3 H 1 2.240 0.05 . 1 . . . . . . . . 4284 1 458 . 1 1 45 45 GLU HG2 H 1 2.240 0.05 . 1 . . . . . . . . 4284 1 459 . 1 1 45 45 GLU HB3 H 1 1.950 0.05 . 1 . . . . . . . . 4284 1 460 . 1 1 45 45 GLU HB2 H 1 1.950 0.05 . 1 . . . . . . . . 4284 1 461 . 1 1 45 45 GLU HA H 1 3.880 0.05 . 1 . . . . . . . . 4284 1 462 . 1 1 45 45 GLU H H 1 8.707 0.05 . 1 . . . . . . . . 4284 1 463 . 1 1 46 46 ALA CA C 13 54.838 0.1 . 1 . . . . . . . . 4284 1 464 . 1 1 46 46 ALA C C 13 180.150 0.1 . 1 . . . . . . . . 4284 1 465 . 1 1 46 46 ALA CB C 13 17.691 0.1 . 1 . . . . . . . . 4284 1 466 . 1 1 46 46 ALA N N 15 120.104 0.05 . 1 . . . . . . . . 4284 1 467 . 1 1 46 46 ALA HB1 H 1 1.300 0.05 . 1 . . . . . . . . 4284 1 468 . 1 1 46 46 ALA HB2 H 1 1.300 0.05 . 1 . . . . . . . . 4284 1 469 . 1 1 46 46 ALA HB3 H 1 1.300 0.05 . 1 . . . . . . . . 4284 1 470 . 1 1 46 46 ALA HA H 1 4.000 0.05 . 1 . . . . . . . . 4284 1 471 . 1 1 46 46 ALA H H 1 8.153 0.05 . 1 . . . . . . . . 4284 1 472 . 1 1 47 47 GLU CA C 13 58.860 0.1 . 1 . . . . . . . . 4284 1 473 . 1 1 47 47 GLU C C 13 180.100 0.1 . 1 . . . . . . . . 4284 1 474 . 1 1 47 47 GLU CB C 13 29.432 0.1 . 1 . . . . . . . . 4284 1 475 . 1 1 47 47 GLU CG C 13 37.062 0.1 . 1 . . . . . . . . 4284 1 476 . 1 1 47 47 GLU N N 15 118.055 0.05 . 1 . . . . . . . . 4284 1 477 . 1 1 47 47 GLU HG3 H 1 1.960 0.05 . 1 . . . . . . . . 4284 1 478 . 1 1 47 47 GLU HG2 H 1 1.960 0.05 . 1 . . . . . . . . 4284 1 479 . 1 1 47 47 GLU HB3 H 1 1.790 0.05 . 2 . . . . . . . . 4284 1 480 . 1 1 47 47 GLU HB2 H 1 2.230 0.05 . 2 . . . . . . . . 4284 1 481 . 1 1 47 47 GLU HA H 1 3.940 0.05 . 1 . . . . . . . . 4284 1 482 . 1 1 47 47 GLU H H 1 7.581 0.05 . 1 . . . . . . . . 4284 1 483 . 1 1 48 48 LEU CA C 13 58.147 0.1 . 1 . . . . . . . . 4284 1 484 . 1 1 48 48 LEU C C 13 178.460 0.1 . 1 . . . . . . . . 4284 1 485 . 1 1 48 48 LEU CB C 13 42.092 0.1 . 1 . . . . . . . . 4284 1 486 . 1 1 48 48 LEU CG C 13 26.403 0.1 . 1 . . . . . . . . 4284 1 487 . 1 1 48 48 LEU CD1 C 13 25.363 0.1 . 1 . . . . . . . . 4284 1 488 . 1 1 48 48 LEU CD2 C 13 23.283 0.1 . 1 . . . . . . . . 4284 1 489 . 1 1 48 48 LEU N N 15 119.713 0.05 . 1 . . . . . . . . 4284 1 490 . 1 1 48 48 LEU HG H 1 1.650 0.05 . 1 . . . . . . . . 4284 1 491 . 1 1 48 48 LEU HB3 H 1 1.160 0.05 . 2 . . . . . . . . 4284 1 492 . 1 1 48 48 LEU HB2 H 1 1.960 0.05 . 2 . . . . . . . . 4284 1 493 . 1 1 48 48 LEU HA H 1 3.950 0.05 . 1 . . . . . . . . 4284 1 494 . 1 1 48 48 LEU H H 1 8.067 0.05 . 1 . . . . . . . . 4284 1 495 . 1 1 49 49 GLN CA C 13 58.543 0.1 . 1 . . . . . . . . 4284 1 496 . 1 1 49 49 GLN C C 13 178.520 0.1 . 1 . . . . . . . . 4284 1 497 . 1 1 49 49 GLN CB C 13 27.790 0.1 . 1 . . . . . . . . 4284 1 498 . 1 1 49 49 GLN CG C 13 33.682 0.1 . 1 . . . . . . . . 4284 1 499 . 1 1 49 49 GLN N N 15 117.569 0.05 . 1 . . . . . . . . 4284 1 500 . 1 1 49 49 GLN HG3 H 1 2.330 0.05 . 1 . . . . . . . . 4284 1 501 . 1 1 49 49 GLN HG2 H 1 2.330 0.05 . 1 . . . . . . . . 4284 1 502 . 1 1 49 49 GLN HB3 H 1 2.060 0.05 . 1 . . . . . . . . 4284 1 503 . 1 1 49 49 GLN HB2 H 1 2.060 0.05 . 1 . . . . . . . . 4284 1 504 . 1 1 49 49 GLN HA H 1 3.740 0.05 . 1 . . . . . . . . 4284 1 505 . 1 1 49 49 GLN H H 1 8.090 0.05 . 1 . . . . . . . . 4284 1 506 . 1 1 50 50 ASP CA C 13 57.573 0.1 . 1 . . . . . . . . 4284 1 507 . 1 1 50 50 ASP C C 13 178.630 0.1 . 1 . . . . . . . . 4284 1 508 . 1 1 50 50 ASP CB C 13 40.065 0.1 . 1 . . . . . . . . 4284 1 509 . 1 1 50 50 ASP N N 15 119.382 0.05 . 1 . . . . . . . . 4284 1 510 . 1 1 50 50 ASP HB3 H 1 2.570 0.05 . 2 . . . . . . . . 4284 1 511 . 1 1 50 50 ASP HB2 H 1 2.690 0.05 . 2 . . . . . . . . 4284 1 512 . 1 1 50 50 ASP HA H 1 4.320 0.05 . 1 . . . . . . . . 4284 1 513 . 1 1 50 50 ASP H H 1 7.986 0.05 . 1 . . . . . . . . 4284 1 514 . 1 1 51 51 MET CA C 13 59.339 0.1 . 1 . . . . . . . . 4284 1 515 . 1 1 51 51 MET C C 13 178.830 0.1 . 1 . . . . . . . . 4284 1 516 . 1 1 51 51 MET CB C 13 32.553 0.1 . 1 . . . . . . . . 4284 1 517 . 1 1 51 51 MET CG C 13 32.750 0.1 . 1 . . . . . . . . 4284 1 518 . 1 1 51 51 MET CE C 13 16.779 0.1 . 1 . . . . . . . . 4284 1 519 . 1 1 51 51 MET N N 15 118.744 0.05 . 1 . . . . . . . . 4284 1 520 . 1 1 51 51 MET HE1 H 1 1.939 0.05 . 1 . . . . . . . . 4284 1 521 . 1 1 51 51 MET HE2 H 1 1.939 0.05 . 1 . . . . . . . . 4284 1 522 . 1 1 51 51 MET HE3 H 1 1.939 0.05 . 1 . . . . . . . . 4284 1 523 . 1 1 51 51 MET HG3 H 1 2.645 0.05 . 2 . . . . . . . . 4284 1 524 . 1 1 51 51 MET HG2 H 1 2.439 0.05 . 2 . . . . . . . . 4284 1 525 . 1 1 51 51 MET HB3 H 1 1.870 0.05 . 2 . . . . . . . . 4284 1 526 . 1 1 51 51 MET HB2 H 1 2.180 0.05 . 2 . . . . . . . . 4284 1 527 . 1 1 51 51 MET HA H 1 3.960 0.05 . 1 . . . . . . . . 4284 1 528 . 1 1 51 51 MET H H 1 7.764 0.05 . 1 . . . . . . . . 4284 1 529 . 1 1 52 52 ILE CA C 13 64.613 0.1 . 1 . . . . . . . . 4284 1 530 . 1 1 52 52 ILE C C 13 177.720 0.1 . 1 . . . . . . . . 4284 1 531 . 1 1 52 52 ILE CB C 13 36.611 0.1 . 1 . . . . . . . . 4284 1 532 . 1 1 52 52 ILE CG1 C 13 28.743 0.1 . 1 . . . . . . . . 4284 1 533 . 1 1 52 52 ILE CG2 C 13 21.464 0.1 . 1 . . . . . . . . 4284 1 534 . 1 1 52 52 ILE N N 15 117.677 0.05 . 1 . . . . . . . . 4284 1 535 . 1 1 52 52 ILE HD11 H 1 0.618 0.05 . 1 . . . . . . . . 4284 1 536 . 1 1 52 52 ILE HD12 H 1 0.618 0.05 . 1 . . . . . . . . 4284 1 537 . 1 1 52 52 ILE HD13 H 1 0.618 0.05 . 1 . . . . . . . . 4284 1 538 . 1 1 52 52 ILE HG21 H 1 0.968 0.05 . 1 . . . . . . . . 4284 1 539 . 1 1 52 52 ILE HG22 H 1 0.968 0.05 . 1 . . . . . . . . 4284 1 540 . 1 1 52 52 ILE HG23 H 1 0.968 0.05 . 1 . . . . . . . . 4284 1 541 . 1 1 52 52 ILE HG13 H 1 1.550 0.05 . 1 . . . . . . . . 4284 1 542 . 1 1 52 52 ILE HG12 H 1 1.550 0.05 . 1 . . . . . . . . 4284 1 543 . 1 1 52 52 ILE HB H 1 1.860 0.05 . 1 . . . . . . . . 4284 1 544 . 1 1 52 52 ILE HA H 1 3.440 0.05 . 1 . . . . . . . . 4284 1 545 . 1 1 52 52 ILE H H 1 7.649 0.05 . 1 . . . . . . . . 4284 1 546 . 1 1 53 53 ASN CA C 13 55.787 0.1 . 1 . . . . . . . . 4284 1 547 . 1 1 53 53 ASN C C 13 177.260 0.1 . 1 . . . . . . . . 4284 1 548 . 1 1 53 53 ASN CB C 13 37.718 0.1 . 1 . . . . . . . . 4284 1 549 . 1 1 53 53 ASN ND2 N 15 111.141 0.05 . 1 . . . . . . . . 4284 1 550 . 1 1 53 53 ASN N N 15 117.095 0.05 . 1 . . . . . . . . 4284 1 551 . 1 1 53 53 ASN HD22 H 1 7.732 0.05 . 1 . . . . . . . . 4284 1 552 . 1 1 53 53 ASN HD21 H 1 6.825 0.05 . 1 . . . . . . . . 4284 1 553 . 1 1 53 53 ASN HB3 H 1 2.890 0.05 . 2 . . . . . . . . 4284 1 554 . 1 1 53 53 ASN HB2 H 1 2.820 0.05 . 2 . . . . . . . . 4284 1 555 . 1 1 53 53 ASN HA H 1 4.310 0.05 . 1 . . . . . . . . 4284 1 556 . 1 1 53 53 ASN H H 1 8.485 0.05 . 1 . . . . . . . . 4284 1 557 . 1 1 54 54 GLU CA C 13 58.615 0.1 . 1 . . . . . . . . 4284 1 558 . 1 1 54 54 GLU C C 13 177.450 0.1 . 1 . . . . . . . . 4284 1 559 . 1 1 54 54 GLU CB C 13 29.956 0.1 . 1 . . . . . . . . 4284 1 560 . 1 1 54 54 GLU CG C 13 36.022 0.1 . 1 . . . . . . . . 4284 1 561 . 1 1 54 54 GLU N N 15 115.765 0.05 . 1 . . . . . . . . 4284 1 562 . 1 1 54 54 GLU HG3 H 1 2.300 0.05 . 1 . . . . . . . . 4284 1 563 . 1 1 54 54 GLU HG2 H 1 2.300 0.05 . 1 . . . . . . . . 4284 1 564 . 1 1 54 54 GLU HB3 H 1 2.050 0.05 . 2 . . . . . . . . 4284 1 565 . 1 1 54 54 GLU HB2 H 1 1.950 0.05 . 2 . . . . . . . . 4284 1 566 . 1 1 54 54 GLU HA H 1 3.930 0.05 . 1 . . . . . . . . 4284 1 567 . 1 1 54 54 GLU H H 1 7.469 0.05 . 1 . . . . . . . . 4284 1 568 . 1 1 55 55 VAL CA C 13 60.670 0.1 . 1 . . . . . . . . 4284 1 569 . 1 1 55 55 VAL C C 13 175.660 0.1 . 1 . . . . . . . . 4284 1 570 . 1 1 55 55 VAL CB C 13 32.123 0.1 . 1 . . . . . . . . 4284 1 571 . 1 1 55 55 VAL CG1 C 13 21.724 0.1 . 1 . . . . . . . . 4284 1 572 . 1 1 55 55 VAL CG2 C 13 19.384 0.1 . 1 . . . . . . . . 4284 1 573 . 1 1 55 55 VAL N N 15 108.472 0.05 . 1 . . . . . . . . 4284 1 574 . 1 1 55 55 VAL HG21 H 1 0.785 0.05 . 1 . . . . . . . . 4284 1 575 . 1 1 55 55 VAL HG22 H 1 0.785 0.05 . 1 . . . . . . . . 4284 1 576 . 1 1 55 55 VAL HG23 H 1 0.785 0.05 . 1 . . . . . . . . 4284 1 577 . 1 1 55 55 VAL HG11 H 1 0.785 0.05 . 1 . . . . . . . . 4284 1 578 . 1 1 55 55 VAL HG12 H 1 0.785 0.05 . 1 . . . . . . . . 4284 1 579 . 1 1 55 55 VAL HG13 H 1 0.785 0.05 . 1 . . . . . . . . 4284 1 580 . 1 1 55 55 VAL HB H 1 2.240 0.05 . 1 . . . . . . . . 4284 1 581 . 1 1 55 55 VAL HA H 1 4.320 0.05 . 1 . . . . . . . . 4284 1 582 . 1 1 55 55 VAL H H 1 7.099 0.05 . 1 . . . . . . . . 4284 1 583 . 1 1 56 56 ASP CA C 13 53.726 0.1 . 1 . . . . . . . . 4284 1 584 . 1 1 56 56 ASP C C 13 176.040 0.1 . 1 . . . . . . . . 4284 1 585 . 1 1 56 56 ASP CB C 13 39.829 0.1 . 1 . . . . . . . . 4284 1 586 . 1 1 56 56 ASP N N 15 120.993 0.05 . 1 . . . . . . . . 4284 1 587 . 1 1 56 56 ASP HB3 H 1 2.450 0.05 . 2 . . . . . . . . 4284 1 588 . 1 1 56 56 ASP HB2 H 1 2.650 0.05 . 2 . . . . . . . . 4284 1 589 . 1 1 56 56 ASP HA H 1 4.530 0.05 . 1 . . . . . . . . 4284 1 590 . 1 1 56 56 ASP H H 1 7.597 0.05 . 1 . . . . . . . . 4284 1 591 . 1 1 57 57 ALA CA C 13 54.055 0.1 . 1 . . . . . . . . 4284 1 592 . 1 1 57 57 ALA C C 13 178.570 0.1 . 1 . . . . . . . . 4284 1 593 . 1 1 57 57 ALA CB C 13 19.103 0.1 . 1 . . . . . . . . 4284 1 594 . 1 1 57 57 ALA N N 15 131.083 0.05 . 1 . . . . . . . . 4284 1 595 . 1 1 57 57 ALA HB1 H 1 1.430 0.05 . 1 . . . . . . . . 4284 1 596 . 1 1 57 57 ALA HB2 H 1 1.430 0.05 . 1 . . . . . . . . 4284 1 597 . 1 1 57 57 ALA HB3 H 1 1.430 0.05 . 1 . . . . . . . . 4284 1 598 . 1 1 57 57 ALA HA H 1 4.120 0.05 . 1 . . . . . . . . 4284 1 599 . 1 1 57 57 ALA H H 1 8.311 0.05 . 1 . . . . . . . . 4284 1 600 . 1 1 58 58 ASP CA C 13 52.597 0.1 . 1 . . . . . . . . 4284 1 601 . 1 1 58 58 ASP C C 13 177.800 0.1 . 1 . . . . . . . . 4284 1 602 . 1 1 58 58 ASP CB C 13 39.435 0.1 . 1 . . . . . . . . 4284 1 603 . 1 1 58 58 ASP N N 15 113.132 0.05 . 1 . . . . . . . . 4284 1 604 . 1 1 58 58 ASP HB3 H 1 2.560 0.05 . 2 . . . . . . . . 4284 1 605 . 1 1 58 58 ASP HB2 H 1 2.940 0.05 . 2 . . . . . . . . 4284 1 606 . 1 1 58 58 ASP HA H 1 4.550 0.05 . 1 . . . . . . . . 4284 1 607 . 1 1 58 58 ASP H H 1 8.074 0.05 . 1 . . . . . . . . 4284 1 608 . 1 1 59 59 GLY CA C 13 47.022 0.1 . 1 . . . . . . . . 4284 1 609 . 1 1 59 59 GLY C C 13 174.800 0.1 . 1 . . . . . . . . 4284 1 610 . 1 1 59 59 GLY N N 15 107.749 0.05 . 1 . . . . . . . . 4284 1 611 . 1 1 59 59 GLY HA3 H 1 3.780 0.05 . 2 . . . . . . . . 4284 1 612 . 1 1 59 59 GLY HA2 H 1 3.720 0.05 . 2 . . . . . . . . 4284 1 613 . 1 1 59 59 GLY H H 1 7.476 0.05 . 1 . . . . . . . . 4284 1 614 . 1 1 60 60 ASN CA C 13 52.509 0.1 . 1 . . . . . . . . 4284 1 615 . 1 1 60 60 ASN C C 13 176.710 0.1 . 1 . . . . . . . . 4284 1 616 . 1 1 60 60 ASN CB C 13 37.447 0.1 . 1 . . . . . . . . 4284 1 617 . 1 1 60 60 ASN N N 15 117.898 0.05 . 1 . . . . . . . . 4284 1 618 . 1 1 60 60 ASN HB3 H 1 2.550 0.05 . 2 . . . . . . . . 4284 1 619 . 1 1 60 60 ASN HB2 H 1 3.210 0.05 . 2 . . . . . . . . 4284 1 620 . 1 1 60 60 ASN HA H 1 4.570 0.05 . 1 . . . . . . . . 4284 1 621 . 1 1 60 60 ASN H H 1 8.003 0.05 . 1 . . . . . . . . 4284 1 622 . 1 1 61 61 GLY CA C 13 45.500 0.1 . 1 . . . . . . . . 4284 1 623 . 1 1 61 61 GLY C C 13 173.070 0.1 . 1 . . . . . . . . 4284 1 624 . 1 1 61 61 GLY N N 15 112.682 0.05 . 1 . . . . . . . . 4284 1 625 . 1 1 61 61 GLY HA3 H 1 3.390 0.05 . 2 . . . . . . . . 4284 1 626 . 1 1 61 61 GLY HA2 H 1 4.120 0.05 . 2 . . . . . . . . 4284 1 627 . 1 1 61 61 GLY H H 1 10.471 0.05 . 1 . . . . . . . . 4284 1 628 . 1 1 62 62 THR CA C 13 59.429 0.1 . 1 . . . . . . . . 4284 1 629 . 1 1 62 62 THR C C 13 173.030 0.1 . 1 . . . . . . . . 4284 1 630 . 1 1 62 62 THR CB C 13 71.823 0.1 . 1 . . . . . . . . 4284 1 631 . 1 1 62 62 THR N N 15 108.256 0.05 . 1 . . . . . . . . 4284 1 632 . 1 1 62 62 THR HG21 H 1 1.010 0.05 . 1 . . . . . . . . 4284 1 633 . 1 1 62 62 THR HG22 H 1 1.010 0.05 . 1 . . . . . . . . 4284 1 634 . 1 1 62 62 THR HG23 H 1 1.010 0.05 . 1 . . . . . . . . 4284 1 635 . 1 1 62 62 THR HB H 1 3.910 0.05 . 1 . . . . . . . . 4284 1 636 . 1 1 62 62 THR HA H 1 4.660 0.05 . 1 . . . . . . . . 4284 1 637 . 1 1 62 62 THR H H 1 7.577 0.05 . 1 . . . . . . . . 4284 1 638 . 1 1 63 63 ILE CA C 13 59.624 0.1 . 1 . . . . . . . . 4284 1 639 . 1 1 63 63 ILE C C 13 175.360 0.1 . 1 . . . . . . . . 4284 1 640 . 1 1 63 63 ILE CB C 13 39.309 0.1 . 1 . . . . . . . . 4284 1 641 . 1 1 63 63 ILE CG1 C 13 26.923 0.1 . 1 . . . . . . . . 4284 1 642 . 1 1 63 63 ILE CG2 C 13 18.084 0.1 . 1 . . . . . . . . 4284 1 643 . 1 1 63 63 ILE N N 15 123.137 0.05 . 1 . . . . . . . . 4284 1 644 . 1 1 63 63 ILE HD11 H 1 0.685 0.05 . 1 . . . . . . . . 4284 1 645 . 1 1 63 63 ILE HD12 H 1 0.685 0.05 . 1 . . . . . . . . 4284 1 646 . 1 1 63 63 ILE HD13 H 1 0.685 0.05 . 1 . . . . . . . . 4284 1 647 . 1 1 63 63 ILE HG21 H 1 1.160 0.05 . 1 . . . . . . . . 4284 1 648 . 1 1 63 63 ILE HG22 H 1 1.160 0.05 . 1 . . . . . . . . 4284 1 649 . 1 1 63 63 ILE HG23 H 1 1.160 0.05 . 1 . . . . . . . . 4284 1 650 . 1 1 63 63 ILE HG13 H 1 1.460 0.05 . 1 . . . . . . . . 4284 1 651 . 1 1 63 63 ILE HG12 H 1 1.460 0.05 . 1 . . . . . . . . 4284 1 652 . 1 1 63 63 ILE HB H 1 1.970 0.05 . 1 . . . . . . . . 4284 1 653 . 1 1 63 63 ILE HA H 1 5.080 0.05 . 1 . . . . . . . . 4284 1 654 . 1 1 63 63 ILE H H 1 8.795 0.05 . 1 . . . . . . . . 4284 1 655 . 1 1 64 64 ASP CA C 13 51.977 0.1 . 1 . . . . . . . . 4284 1 656 . 1 1 64 64 ASP C C 13 176.180 0.1 . 1 . . . . . . . . 4284 1 657 . 1 1 64 64 ASP CB C 13 42.029 0.1 . 1 . . . . . . . . 4284 1 658 . 1 1 64 64 ASP N N 15 127.595 0.05 . 1 . . . . . . . . 4284 1 659 . 1 1 64 64 ASP HB3 H 1 2.709 0.05 . 2 . . . . . . . . 4284 1 660 . 1 1 64 64 ASP HB2 H 1 2.959 0.05 . 2 . . . . . . . . 4284 1 661 . 1 1 64 64 ASP HA H 1 5.300 0.05 . 1 . . . . . . . . 4284 1 662 . 1 1 64 64 ASP H H 1 8.742 0.05 . 1 . . . . . . . . 4284 1 663 . 1 1 65 65 PHE CA C 13 63.389 0.1 . 1 . . . . . . . . 4284 1 664 . 1 1 65 65 PHE CB C 13 35.620 0.1 . 1 . . . . . . . . 4284 1 665 . 1 1 65 65 PHE CD1 C 13 132.700 0.1 . 1 . . . . . . . . 4284 1 666 . 1 1 65 65 PHE CE1 C 13 131.190 0.1 . 1 . . . . . . . . 4284 1 667 . 1 1 65 65 PHE CE2 C 13 131.190 0.1 . 1 . . . . . . . . 4284 1 668 . 1 1 65 65 PHE CD2 C 13 132.700 0.1 . 1 . . . . . . . . 4284 1 669 . 1 1 65 65 PHE N N 15 118.217 0.05 . 1 . . . . . . . . 4284 1 670 . 1 1 65 65 PHE HD2 H 1 6.610 0.05 . 1 . . . . . . . . 4284 1 671 . 1 1 65 65 PHE HE2 H 1 7.063 0.05 . 1 . . . . . . . . 4284 1 672 . 1 1 65 65 PHE HZ H 1 7.095 0.05 . 1 . . . . . . . . 4284 1 673 . 1 1 65 65 PHE HE1 H 1 7.063 0.05 . 1 . . . . . . . . 4284 1 674 . 1 1 65 65 PHE HD1 H 1 6.610 0.05 . 1 . . . . . . . . 4284 1 675 . 1 1 65 65 PHE HB3 H 1 2.730 0.05 . 2 . . . . . . . . 4284 1 676 . 1 1 65 65 PHE HB2 H 1 2.030 0.05 . 2 . . . . . . . . 4284 1 677 . 1 1 65 65 PHE HA H 1 3.900 0.05 . 1 . . . . . . . . 4284 1 678 . 1 1 65 65 PHE H H 1 8.852 0.05 . 1 . . . . . . . . 4284 1 679 . 1 1 66 66 PRO CA C 13 66.179 0.1 . 1 . . . . . . . . 4284 1 680 . 1 1 66 66 PRO C C 13 179.980 0.1 . 1 . . . . . . . . 4284 1 681 . 1 1 66 66 PRO CB C 13 30.303 0.1 . 1 . . . . . . . . 4284 1 682 . 1 1 66 66 PRO CG C 13 27.963 0.1 . 1 . . . . . . . . 4284 1 683 . 1 1 66 66 PRO CD C 13 40.442 0.1 . 1 . . . . . . . . 4284 1 684 . 1 1 66 66 PRO HB3 H 1 2.507 0.05 . 1 . . . . . . . . 4284 1 685 . 1 1 66 66 PRO HB2 H 1 2.507 0.05 . 1 . . . . . . . . 4284 1 686 . 1 1 66 66 PRO HA H 1 3.762 0.05 . 1 . . . . . . . . 4284 1 687 . 1 1 67 67 GLU CA C 13 58.609 0.1 . 1 . . . . . . . . 4284 1 688 . 1 1 67 67 GLU C C 13 178.800 0.1 . 1 . . . . . . . . 4284 1 689 . 1 1 67 67 GLU CB C 13 29.195 0.1 . 1 . . . . . . . . 4284 1 690 . 1 1 67 67 GLU CG C 13 36.542 0.1 . 1 . . . . . . . . 4284 1 691 . 1 1 67 67 GLU N N 15 116.955 0.05 . 1 . . . . . . . . 4284 1 692 . 1 1 67 67 GLU HG3 H 1 2.528 0.05 . 2 . . . . . . . . 4284 1 693 . 1 1 67 67 GLU HG2 H 1 2.850 0.05 . 2 . . . . . . . . 4284 1 694 . 1 1 67 67 GLU HB3 H 1 2.010 0.05 . 1 . . . . . . . . 4284 1 695 . 1 1 67 67 GLU HB2 H 1 2.010 0.05 . 1 . . . . . . . . 4284 1 696 . 1 1 67 67 GLU HA H 1 4.030 0.05 . 1 . . . . . . . . 4284 1 697 . 1 1 67 67 GLU H H 1 7.855 0.05 . 1 . . . . . . . . 4284 1 698 . 1 1 68 68 PHE CA C 13 61.133 0.1 . 1 . . . . . . . . 4284 1 699 . 1 1 68 68 PHE C C 13 176.840 0.1 . 1 . . . . . . . . 4284 1 700 . 1 1 68 68 PHE CB C 13 39.878 0.1 . 1 . . . . . . . . 4284 1 701 . 1 1 68 68 PHE CD1 C 13 132.460 0.1 . 1 . . . . . . . . 4284 1 702 . 1 1 68 68 PHE CE1 C 13 131.870 0.1 . 1 . . . . . . . . 4284 1 703 . 1 1 68 68 PHE CE2 C 13 131.870 0.1 . 1 . . . . . . . . 4284 1 704 . 1 1 68 68 PHE CD2 C 13 132.460 0.1 . 1 . . . . . . . . 4284 1 705 . 1 1 68 68 PHE N N 15 122.998 0.05 . 1 . . . . . . . . 4284 1 706 . 1 1 68 68 PHE HD2 H 1 6.490 0.05 . 1 . . . . . . . . 4284 1 707 . 1 1 68 68 PHE HE2 H 1 6.920 0.05 . 1 . . . . . . . . 4284 1 708 . 1 1 68 68 PHE HZ H 1 7.080 0.05 . 1 . . . . . . . . 4284 1 709 . 1 1 68 68 PHE HE1 H 1 6.920 0.05 . 1 . . . . . . . . 4284 1 710 . 1 1 68 68 PHE HD1 H 1 6.490 0.05 . 1 . . . . . . . . 4284 1 711 . 1 1 68 68 PHE HB3 H 1 3.370 0.05 . 2 . . . . . . . . 4284 1 712 . 1 1 68 68 PHE HB2 H 1 3.070 0.05 . 2 . . . . . . . . 4284 1 713 . 1 1 68 68 PHE HA H 1 3.870 0.05 . 1 . . . . . . . . 4284 1 714 . 1 1 68 68 PHE H H 1 8.696 0.05 . 1 . . . . . . . . 4284 1 715 . 1 1 69 69 LEU CA C 13 58.137 0.1 . 1 . . . . . . . . 4284 1 716 . 1 1 69 69 LEU C C 13 179.040 0.1 . 1 . . . . . . . . 4284 1 717 . 1 1 69 69 LEU CB C 13 40.612 0.1 . 1 . . . . . . . . 4284 1 718 . 1 1 69 69 LEU CG C 13 25.103 0.1 . 1 . . . . . . . . 4284 1 719 . 1 1 69 69 LEU CD1 C 13 23.803 0.1 . 1 . . . . . . . . 4284 1 720 . 1 1 69 69 LEU CD2 C 13 20.424 0.1 . 1 . . . . . . . . 4284 1 721 . 1 1 69 69 LEU N N 15 118.504 0.05 . 1 . . . . . . . . 4284 1 722 . 1 1 69 69 LEU HG H 1 0.924 0.05 . 1 . . . . . . . . 4284 1 723 . 1 1 69 69 LEU HB3 H 1 1.050 0.05 . 2 . . . . . . . . 4284 1 724 . 1 1 69 69 LEU HB2 H 1 1.410 0.05 . 2 . . . . . . . . 4284 1 725 . 1 1 69 69 LEU HA H 1 3.230 0.05 . 1 . . . . . . . . 4284 1 726 . 1 1 69 69 LEU H H 1 8.348 0.05 . 1 . . . . . . . . 4284 1 727 . 1 1 70 70 THR CA C 13 66.350 0.1 . 1 . . . . . . . . 4284 1 728 . 1 1 70 70 THR CB C 13 68.318 0.1 . 1 . . . . . . . . 4284 1 729 . 1 1 70 70 THR N N 15 114.811 0.05 . 1 . . . . . . . . 4284 1 730 . 1 1 70 70 THR HG21 H 1 1.080 0.05 . 1 . . . . . . . . 4284 1 731 . 1 1 70 70 THR HG22 H 1 1.080 0.05 . 1 . . . . . . . . 4284 1 732 . 1 1 70 70 THR HG23 H 1 1.080 0.05 . 1 . . . . . . . . 4284 1 733 . 1 1 70 70 THR HB H 1 4.200 0.05 . 1 . . . . . . . . 4284 1 734 . 1 1 70 70 THR HA H 1 3.690 0.05 . 1 . . . . . . . . 4284 1 735 . 1 1 70 70 THR H H 1 7.447 0.05 . 1 . . . . . . . . 4284 1 736 . 1 1 71 71 MET CA C 13 58.637 0.1 . 1 . . . . . . . . 4284 1 737 . 1 1 71 71 MET C C 13 178.020 0.1 . 1 . . . . . . . . 4284 1 738 . 1 1 71 71 MET CB C 13 30.929 0.1 . 1 . . . . . . . . 4284 1 739 . 1 1 71 71 MET CG C 13 31.648 0.1 . 1 . . . . . . . . 4284 1 740 . 1 1 71 71 MET CE C 13 16.847 0.1 . 1 . . . . . . . . 4284 1 741 . 1 1 71 71 MET HE1 H 1 1.638 0.05 . 1 . . . . . . . . 4284 1 742 . 1 1 71 71 MET HE2 H 1 1.638 0.05 . 1 . . . . . . . . 4284 1 743 . 1 1 71 71 MET HE3 H 1 1.638 0.05 . 1 . . . . . . . . 4284 1 744 . 1 1 71 71 MET HG3 H 1 2.335 0.05 . 1 . . . . . . . . 4284 1 745 . 1 1 71 71 MET HG2 H 1 2.335 0.05 . 1 . . . . . . . . 4284 1 746 . 1 1 71 71 MET HB3 H 1 2.010 0.05 . 1 . . . . . . . . 4284 1 747 . 1 1 71 71 MET HB2 H 1 2.010 0.05 . 1 . . . . . . . . 4284 1 748 . 1 1 71 71 MET HA H 1 3.657 0.05 . 1 . . . . . . . . 4284 1 749 . 1 1 72 72 MET CA C 13 55.654 0.1 . 1 . . . . . . . . 4284 1 750 . 1 1 72 72 MET C C 13 178.420 0.1 . 1 . . . . . . . . 4284 1 751 . 1 1 72 72 MET CB C 13 30.440 0.1 . 1 . . . . . . . . 4284 1 752 . 1 1 72 72 MET CG C 13 31.648 0.1 . 1 . . . . . . . . 4284 1 753 . 1 1 72 72 MET CE C 13 17.054 0.1 . 1 . . . . . . . . 4284 1 754 . 1 1 72 72 MET N N 15 116.338 0.05 . 1 . . . . . . . . 4284 1 755 . 1 1 72 72 MET HE1 H 1 1.581 0.05 . 1 . . . . . . . . 4284 1 756 . 1 1 72 72 MET HE2 H 1 1.581 0.05 . 1 . . . . . . . . 4284 1 757 . 1 1 72 72 MET HE3 H 1 1.581 0.05 . 1 . . . . . . . . 4284 1 758 . 1 1 72 72 MET HB3 H 1 1.000 0.05 . 1 . . . . . . . . 4284 1 759 . 1 1 72 72 MET HB2 H 1 1.000 0.05 . 1 . . . . . . . . 4284 1 760 . 1 1 72 72 MET HA H 1 3.890 0.05 . 1 . . . . . . . . 4284 1 761 . 1 1 72 72 MET H H 1 7.944 0.05 . 1 . . . . . . . . 4284 1 762 . 1 1 73 73 ALA CA C 13 54.767 0.1 . 1 . . . . . . . . 4284 1 763 . 1 1 73 73 ALA C C 13 179.720 0.1 . 1 . . . . . . . . 4284 1 764 . 1 1 73 73 ALA CB C 13 17.666 0.1 . 1 . . . . . . . . 4284 1 765 . 1 1 73 73 ALA N N 15 121.423 0.05 . 1 . . . . . . . . 4284 1 766 . 1 1 73 73 ALA HB1 H 1 1.310 0.05 . 1 . . . . . . . . 4284 1 767 . 1 1 73 73 ALA HB2 H 1 1.310 0.05 . 1 . . . . . . . . 4284 1 768 . 1 1 73 73 ALA HB3 H 1 1.310 0.05 . 1 . . . . . . . . 4284 1 769 . 1 1 73 73 ALA HA H 1 3.960 0.05 . 1 . . . . . . . . 4284 1 770 . 1 1 73 73 ALA H H 1 8.101 0.05 . 1 . . . . . . . . 4284 1 771 . 1 1 74 74 ARG CA C 13 58.397 0.1 . 1 . . . . . . . . 4284 1 772 . 1 1 74 74 ARG CB C 13 29.937 0.1 . 1 . . . . . . . . 4284 1 773 . 1 1 74 74 ARG CD C 13 40.962 0.1 . 1 . . . . . . . . 4284 1 774 . 1 1 74 74 ARG N N 15 116.220 0.05 . 1 . . . . . . . . 4284 1 775 . 1 1 74 74 ARG HD3 H 1 2.980 0.05 . 1 . . . . . . . . 4284 1 776 . 1 1 74 74 ARG HD2 H 1 2.980 0.05 . 1 . . . . . . . . 4284 1 777 . 1 1 74 74 ARG HG3 H 1 1.320 0.05 . 1 . . . . . . . . 4284 1 778 . 1 1 74 74 ARG HG2 H 1 1.320 0.05 . 1 . . . . . . . . 4284 1 779 . 1 1 74 74 ARG HB3 H 1 1.560 0.05 . 2 . . . . . . . . 4284 1 780 . 1 1 74 74 ARG HB2 H 1 1.730 0.05 . 2 . . . . . . . . 4284 1 781 . 1 1 74 74 ARG HA H 1 3.980 0.05 . 1 . . . . . . . . 4284 1 782 . 1 1 74 74 ARG H H 1 7.450 0.05 . 1 . . . . . . . . 4284 1 783 . 1 1 75 75 LYS CA C 13 57.079 0.1 . 1 . . . . . . . . 4284 1 784 . 1 1 75 75 LYS CB C 13 32.122 0.1 . 1 . . . . . . . . 4284 1 785 . 1 1 75 75 LYS CG C 13 24.583 0.1 . 1 . . . . . . . . 4284 1 786 . 1 1 75 75 LYS N N 15 118.037 0.05 . 1 . . . . . . . . 4284 1 787 . 1 1 75 75 LYS HG3 H 1 1.300 0.05 . 1 . . . . . . . . 4284 1 788 . 1 1 75 75 LYS HG2 H 1 1.300 0.05 . 1 . . . . . . . . 4284 1 789 . 1 1 75 75 LYS HB3 H 1 1.760 0.05 . 1 . . . . . . . . 4284 1 790 . 1 1 75 75 LYS HB2 H 1 1.760 0.05 . 1 . . . . . . . . 4284 1 791 . 1 1 75 75 LYS HA H 1 3.950 0.05 . 1 . . . . . . . . 4284 1 792 . 1 1 75 75 LYS H H 1 7.548 0.05 . 1 . . . . . . . . 4284 1 793 . 1 1 76 76 MET CA C 13 56.559 0.1 . 1 . . . . . . . . 4284 1 794 . 1 1 76 76 MET CB C 13 32.381 0.1 . 1 . . . . . . . . 4284 1 795 . 1 1 76 76 MET CG C 13 32.199 0.1 . 1 . . . . . . . . 4284 1 796 . 1 1 76 76 MET CE C 13 16.916 0.1 . 1 . . . . . . . . 4284 1 797 . 1 1 76 76 MET N N 15 117.832 0.05 . 1 . . . . . . . . 4284 1 798 . 1 1 76 76 MET HE1 H 1 1.895 0.05 . 1 . . . . . . . . 4284 1 799 . 1 1 76 76 MET HE2 H 1 1.895 0.05 . 1 . . . . . . . . 4284 1 800 . 1 1 76 76 MET HE3 H 1 1.895 0.05 . 1 . . . . . . . . 4284 1 801 . 1 1 76 76 MET H H 1 7.736 0.05 . 1 . . . . . . . . 4284 1 802 . 1 1 77 77 LYS CA C 13 56.560 0.1 . 1 . . . . . . . . 4284 1 803 . 1 1 77 77 LYS C C 13 176.350 0.1 . 1 . . . . . . . . 4284 1 804 . 1 1 77 77 LYS CB C 13 32.642 0.1 . 1 . . . . . . . . 4284 1 805 . 1 1 77 77 LYS CG C 13 24.323 0.1 . 1 . . . . . . . . 4284 1 806 . 1 1 77 77 LYS CD C 13 28.743 0.1 . 1 . . . . . . . . 4284 1 807 . 1 1 77 77 LYS CE C 13 40.962 0.1 . 1 . . . . . . . . 4284 1 808 . 1 1 77 77 LYS HE3 H 1 2.860 0.05 . 1 . . . . . . . . 4284 1 809 . 1 1 77 77 LYS HE2 H 1 2.860 0.05 . 1 . . . . . . . . 4284 1 810 . 1 1 77 77 LYS HD3 H 1 1.530 0.05 . 1 . . . . . . . . 4284 1 811 . 1 1 77 77 LYS HD2 H 1 1.530 0.05 . 1 . . . . . . . . 4284 1 812 . 1 1 77 77 LYS HG3 H 1 1.330 0.05 . 1 . . . . . . . . 4284 1 813 . 1 1 77 77 LYS HG2 H 1 1.330 0.05 . 1 . . . . . . . . 4284 1 814 . 1 1 77 77 LYS HB3 H 1 1.722 0.05 . 1 . . . . . . . . 4284 1 815 . 1 1 77 77 LYS HB2 H 1 1.722 0.05 . 1 . . . . . . . . 4284 1 816 . 1 1 77 77 LYS HA H 1 4.180 0.05 . 1 . . . . . . . . 4284 1 817 . 1 1 78 78 ASP CA C 13 54.818 0.1 . 1 . . . . . . . . 4284 1 818 . 1 1 78 78 ASP C C 13 176.460 0.1 . 1 . . . . . . . . 4284 1 819 . 1 1 78 78 ASP CB C 13 40.874 0.1 . 1 . . . . . . . . 4284 1 820 . 1 1 78 78 ASP N N 15 120.866 0.05 . 1 . . . . . . . . 4284 1 821 . 1 1 78 78 ASP HB3 H 1 2.590 0.05 . 2 . . . . . . . . 4284 1 822 . 1 1 78 78 ASP HB2 H 1 2.610 0.05 . 2 . . . . . . . . 4284 1 823 . 1 1 78 78 ASP HA H 1 4.610 0.05 . 1 . . . . . . . . 4284 1 824 . 1 1 78 78 ASP H H 1 8.134 0.05 . 1 . . . . . . . . 4284 1 825 . 1 1 79 79 THR CA C 13 62.135 0.1 . 1 . . . . . . . . 4284 1 826 . 1 1 79 79 THR C C 13 174.340 0.1 . 1 . . . . . . . . 4284 1 827 . 1 1 79 79 THR CB C 13 69.697 0.1 . 1 . . . . . . . . 4284 1 828 . 1 1 79 79 THR N N 15 113.610 0.05 . 1 . . . . . . . . 4284 1 829 . 1 1 79 79 THR HG21 H 1 1.090 0.05 . 1 . . . . . . . . 4284 1 830 . 1 1 79 79 THR HG22 H 1 1.090 0.05 . 1 . . . . . . . . 4284 1 831 . 1 1 79 79 THR HG23 H 1 1.090 0.05 . 1 . . . . . . . . 4284 1 832 . 1 1 79 79 THR HB H 1 4.200 0.05 . 1 . . . . . . . . 4284 1 833 . 1 1 79 79 THR HA H 1 4.200 0.05 . 1 . . . . . . . . 4284 1 834 . 1 1 79 79 THR H H 1 7.950 0.05 . 1 . . . . . . . . 4284 1 835 . 1 1 80 80 ASP CA C 13 54.583 0.1 . 1 . . . . . . . . 4284 1 836 . 1 1 80 80 ASP C C 13 176.660 0.1 . 1 . . . . . . . . 4284 1 837 . 1 1 80 80 ASP CB C 13 41.145 0.1 . 1 . . . . . . . . 4284 1 838 . 1 1 80 80 ASP N N 15 122.501 0.05 . 1 . . . . . . . . 4284 1 839 . 1 1 80 80 ASP HB3 H 1 2.630 0.05 . 1 . . . . . . . . 4284 1 840 . 1 1 80 80 ASP HB2 H 1 2.630 0.05 . 1 . . . . . . . . 4284 1 841 . 1 1 80 80 ASP HA H 1 4.610 0.05 . 1 . . . . . . . . 4284 1 842 . 1 1 80 80 ASP H H 1 8.306 0.05 . 1 . . . . . . . . 4284 1 843 . 1 1 81 81 SER CA C 13 59.335 0.1 . 1 . . . . . . . . 4284 1 844 . 1 1 81 81 SER C C 13 175.300 0.1 . 1 . . . . . . . . 4284 1 845 . 1 1 81 81 SER CB C 13 63.528 0.1 . 1 . . . . . . . . 4284 1 846 . 1 1 81 81 SER N N 15 116.586 0.05 . 1 . . . . . . . . 4284 1 847 . 1 1 81 81 SER HB3 H 1 3.920 0.05 . 1 . . . . . . . . 4284 1 848 . 1 1 81 81 SER HB2 H 1 3.920 0.05 . 1 . . . . . . . . 4284 1 849 . 1 1 81 81 SER HA H 1 4.340 0.05 . 1 . . . . . . . . 4284 1 850 . 1 1 81 81 SER H H 1 8.324 0.05 . 1 . . . . . . . . 4284 1 851 . 1 1 82 82 GLU CA C 13 58.746 0.1 . 1 . . . . . . . . 4284 1 852 . 1 1 82 82 GLU C C 13 177.940 0.1 . 1 . . . . . . . . 4284 1 853 . 1 1 82 82 GLU CB C 13 29.258 0.1 . 1 . . . . . . . . 4284 1 854 . 1 1 82 82 GLU CG C 13 36.282 0.1 . 1 . . . . . . . . 4284 1 855 . 1 1 82 82 GLU N N 15 122.059 0.05 . 1 . . . . . . . . 4284 1 856 . 1 1 82 82 GLU HG3 H 1 2.250 0.05 . 1 . . . . . . . . 4284 1 857 . 1 1 82 82 GLU HG2 H 1 2.250 0.05 . 1 . . . . . . . . 4284 1 858 . 1 1 82 82 GLU HB3 H 1 2.030 0.05 . 1 . . . . . . . . 4284 1 859 . 1 1 82 82 GLU HB2 H 1 2.030 0.05 . 1 . . . . . . . . 4284 1 860 . 1 1 82 82 GLU HA H 1 4.030 0.05 . 1 . . . . . . . . 4284 1 861 . 1 1 82 82 GLU H H 1 8.399 0.05 . 1 . . . . . . . . 4284 1 862 . 1 1 83 83 GLU CA C 13 59.418 0.1 . 1 . . . . . . . . 4284 1 863 . 1 1 83 83 GLU C C 13 175.540 0.1 . 1 . . . . . . . . 4284 1 864 . 1 1 83 83 GLU CB C 13 29.234 0.1 . 1 . . . . . . . . 4284 1 865 . 1 1 83 83 GLU N N 15 118.992 0.05 . 1 . . . . . . . . 4284 1 866 . 1 1 83 83 GLU HA H 1 4.380 0.05 . 1 . . . . . . . . 4284 1 867 . 1 1 83 83 GLU H H 1 8.199 0.05 . 1 . . . . . . . . 4284 1 868 . 1 1 84 84 GLU CA C 13 55.216 0.1 . 1 . . . . . . . . 4284 1 869 . 1 1 84 84 GLU C C 13 175.520 0.1 . 1 . . . . . . . . 4284 1 870 . 1 1 84 84 GLU CB C 13 29.293 0.1 . 1 . . . . . . . . 4284 1 871 . 1 1 84 84 GLU CG C 13 33.422 0.1 . 1 . . . . . . . . 4284 1 872 . 1 1 84 84 GLU N N 15 119.054 0.05 . 1 . . . . . . . . 4284 1 873 . 1 1 84 84 GLU HG3 H 1 2.258 0.05 . 1 . . . . . . . . 4284 1 874 . 1 1 84 84 GLU HG2 H 1 2.258 0.05 . 1 . . . . . . . . 4284 1 875 . 1 1 84 84 GLU HB3 H 1 1.840 0.05 . 1 . . . . . . . . 4284 1 876 . 1 1 84 84 GLU HB2 H 1 1.840 0.05 . 1 . . . . . . . . 4284 1 877 . 1 1 84 84 GLU HA H 1 4.259 0.05 . 1 . . . . . . . . 4284 1 878 . 1 1 84 84 GLU H H 1 8.231 0.05 . 1 . . . . . . . . 4284 1 879 . 1 1 86 86 ARG CA C 13 58.637 0.1 . 1 . . . . . . . . 4284 1 880 . 1 1 86 86 ARG CB C 13 28.857 0.1 . 1 . . . . . . . . 4284 1 881 . 1 1 86 86 ARG HB3 H 1 1.984 0.05 . 1 . . . . . . . . 4284 1 882 . 1 1 86 86 ARG HB2 H 1 1.984 0.05 . 1 . . . . . . . . 4284 1 883 . 1 1 86 86 ARG HA H 1 3.997 0.05 . 1 . . . . . . . . 4284 1 884 . 1 1 87 87 GLU CA C 13 58.899 0.1 . 1 . . . . . . . . 4284 1 885 . 1 1 87 87 GLU C C 13 178.970 0.1 . 1 . . . . . . . . 4284 1 886 . 1 1 87 87 GLU CB C 13 32.642 0.1 . 1 . . . . . . . . 4284 1 887 . 1 1 87 87 GLU CG C 13 39.402 0.1 . 1 . . . . . . . . 4284 1 888 . 1 1 87 87 GLU N N 15 120.531 0.05 . 1 . . . . . . . . 4284 1 889 . 1 1 87 87 GLU HB3 H 1 1.810 0.05 . 1 . . . . . . . . 4284 1 890 . 1 1 87 87 GLU HB2 H 1 1.810 0.05 . 1 . . . . . . . . 4284 1 891 . 1 1 87 87 GLU HA H 1 4.030 0.05 . 1 . . . . . . . . 4284 1 892 . 1 1 87 87 GLU H H 1 7.891 0.05 . 1 . . . . . . . . 4284 1 893 . 1 1 88 88 ALA CA C 13 55.234 0.1 . 1 . . . . . . . . 4284 1 894 . 1 1 88 88 ALA C C 13 178.910 0.1 . 1 . . . . . . . . 4284 1 895 . 1 1 88 88 ALA CB C 13 17.583 0.1 . 1 . . . . . . . . 4284 1 896 . 1 1 88 88 ALA N N 15 118.364 0.05 . 1 . . . . . . . . 4284 1 897 . 1 1 88 88 ALA HB1 H 1 1.800 0.05 . 1 . . . . . . . . 4284 1 898 . 1 1 88 88 ALA HB2 H 1 1.800 0.05 . 1 . . . . . . . . 4284 1 899 . 1 1 88 88 ALA HB3 H 1 1.800 0.05 . 1 . . . . . . . . 4284 1 900 . 1 1 88 88 ALA HA H 1 4.050 0.05 . 1 . . . . . . . . 4284 1 901 . 1 1 88 88 ALA H H 1 8.434 0.05 . 1 . . . . . . . . 4284 1 902 . 1 1 89 89 PHE CA C 13 62.357 0.1 . 1 . . . . . . . . 4284 1 903 . 1 1 89 89 PHE C C 13 176.220 0.1 . 1 . . . . . . . . 4284 1 904 . 1 1 89 89 PHE CB C 13 38.751 0.1 . 1 . . . . . . . . 4284 1 905 . 1 1 89 89 PHE N N 15 118.039 0.05 . 1 . . . . . . . . 4284 1 906 . 1 1 89 89 PHE HB3 H 1 2.900 0.05 . 1 . . . . . . . . 4284 1 907 . 1 1 89 89 PHE HB2 H 1 2.900 0.05 . 1 . . . . . . . . 4284 1 908 . 1 1 89 89 PHE HA H 1 3.130 0.05 . 1 . . . . . . . . 4284 1 909 . 1 1 89 89 PHE H H 1 8.448 0.05 . 1 . . . . . . . . 4284 1 910 . 1 1 90 90 ARG CA C 13 58.463 0.1 . 1 . . . . . . . . 4284 1 911 . 1 1 90 90 ARG C C 13 177.660 0.1 . 1 . . . . . . . . 4284 1 912 . 1 1 90 90 ARG CB C 13 29.755 0.1 . 1 . . . . . . . . 4284 1 913 . 1 1 90 90 ARG CG C 13 27.443 0.1 . 1 . . . . . . . . 4284 1 914 . 1 1 90 90 ARG CD C 13 43.301 0.1 . 1 . . . . . . . . 4284 1 915 . 1 1 90 90 ARG N N 15 114.095 0.05 . 1 . . . . . . . . 4284 1 916 . 1 1 90 90 ARG HD3 H 1 3.140 0.05 . 1 . . . . . . . . 4284 1 917 . 1 1 90 90 ARG HD2 H 1 3.140 0.05 . 1 . . . . . . . . 4284 1 918 . 1 1 90 90 ARG HG3 H 1 1.640 0.05 . 1 . . . . . . . . 4284 1 919 . 1 1 90 90 ARG HG2 H 1 1.640 0.05 . 1 . . . . . . . . 4284 1 920 . 1 1 90 90 ARG HB3 H 1 1.860 0.05 . 1 . . . . . . . . 4284 1 921 . 1 1 90 90 ARG HB2 H 1 1.860 0.05 . 1 . . . . . . . . 4284 1 922 . 1 1 90 90 ARG HA H 1 3.790 0.05 . 1 . . . . . . . . 4284 1 923 . 1 1 90 90 ARG H H 1 7.605 0.05 . 1 . . . . . . . . 4284 1 924 . 1 1 91 91 VAL CA C 13 65.631 0.1 . 1 . . . . . . . . 4284 1 925 . 1 1 91 91 VAL C C 13 176.690 0.1 . 1 . . . . . . . . 4284 1 926 . 1 1 91 91 VAL CB C 13 30.757 0.1 . 1 . . . . . . . . 4284 1 927 . 1 1 91 91 VAL CG1 C 13 22.243 0.1 . 1 . . . . . . . . 4284 1 928 . 1 1 91 91 VAL CG2 C 13 20.684 0.1 . 1 . . . . . . . . 4284 1 929 . 1 1 91 91 VAL N N 15 117.981 0.05 . 1 . . . . . . . . 4284 1 930 . 1 1 91 91 VAL HG21 H 1 0.488 0.05 . 2 . . . . . . . . 4284 1 931 . 1 1 91 91 VAL HG22 H 1 0.488 0.05 . 2 . . . . . . . . 4284 1 932 . 1 1 91 91 VAL HG23 H 1 0.488 0.05 . 2 . . . . . . . . 4284 1 933 . 1 1 91 91 VAL HG11 H 1 0.904 0.05 . 2 . . . . . . . . 4284 1 934 . 1 1 91 91 VAL HG12 H 1 0.904 0.05 . 2 . . . . . . . . 4284 1 935 . 1 1 91 91 VAL HG13 H 1 0.904 0.05 . 2 . . . . . . . . 4284 1 936 . 1 1 91 91 VAL HB H 1 1.990 0.05 . 1 . . . . . . . . 4284 1 937 . 1 1 91 91 VAL HA H 1 3.360 0.05 . 1 . . . . . . . . 4284 1 938 . 1 1 91 91 VAL H H 1 7.269 0.05 . 1 . . . . . . . . 4284 1 939 . 1 1 92 92 PHE CA C 13 61.073 0.1 . 1 . . . . . . . . 4284 1 940 . 1 1 92 92 PHE C C 13 176.010 0.1 . 1 . . . . . . . . 4284 1 941 . 1 1 92 92 PHE CB C 13 40.782 0.1 . 1 . . . . . . . . 4284 1 942 . 1 1 92 92 PHE N N 15 113.887 0.05 . 1 . . . . . . . . 4284 1 943 . 1 1 92 92 PHE HD2 H 1 7.118 0.05 . 1 . . . . . . . . 4284 1 944 . 1 1 92 92 PHE HD1 H 1 7.118 0.05 . 1 . . . . . . . . 4284 1 945 . 1 1 92 92 PHE HB3 H 1 2.440 0.05 . 2 . . . . . . . . 4284 1 946 . 1 1 92 92 PHE HB2 H 1 2.740 0.05 . 2 . . . . . . . . 4284 1 947 . 1 1 92 92 PHE HA H 1 4.140 0.05 . 1 . . . . . . . . 4284 1 948 . 1 1 92 92 PHE H H 1 6.923 0.05 . 1 . . . . . . . . 4284 1 949 . 1 1 93 93 ASP CA C 13 51.682 0.1 . 1 . . . . . . . . 4284 1 950 . 1 1 93 93 ASP C C 13 177.710 0.1 . 1 . . . . . . . . 4284 1 951 . 1 1 93 93 ASP CB C 13 37.927 0.1 . 1 . . . . . . . . 4284 1 952 . 1 1 93 93 ASP N N 15 114.002 0.05 . 1 . . . . . . . . 4284 1 953 . 1 1 93 93 ASP HB3 H 1 1.200 0.05 . 2 . . . . . . . . 4284 1 954 . 1 1 93 93 ASP HB2 H 1 2.110 0.05 . 2 . . . . . . . . 4284 1 955 . 1 1 93 93 ASP HA H 1 4.470 0.05 . 1 . . . . . . . . 4284 1 956 . 1 1 93 93 ASP H H 1 7.768 0.05 . 1 . . . . . . . . 4284 1 957 . 1 1 94 94 LYS CA C 13 59.213 0.1 . 1 . . . . . . . . 4284 1 958 . 1 1 94 94 LYS C C 13 178.210 0.1 . 1 . . . . . . . . 4284 1 959 . 1 1 94 94 LYS CB C 13 32.442 0.1 . 1 . . . . . . . . 4284 1 960 . 1 1 94 94 LYS CG C 13 23.543 0.1 . 1 . . . . . . . . 4284 1 961 . 1 1 94 94 LYS CD C 13 28.483 0.1 . 1 . . . . . . . . 4284 1 962 . 1 1 94 94 LYS CE C 13 40.182 0.1 . 1 . . . . . . . . 4284 1 963 . 1 1 94 94 LYS N N 15 124.816 0.05 . 1 . . . . . . . . 4284 1 964 . 1 1 94 94 LYS HG3 H 1 1.405 0.05 . 1 . . . . . . . . 4284 1 965 . 1 1 94 94 LYS HG2 H 1 1.405 0.05 . 1 . . . . . . . . 4284 1 966 . 1 1 94 94 LYS HB3 H 1 1.690 0.05 . 1 . . . . . . . . 4284 1 967 . 1 1 94 94 LYS HB2 H 1 1.690 0.05 . 1 . . . . . . . . 4284 1 968 . 1 1 94 94 LYS HA H 1 3.770 0.05 . 1 . . . . . . . . 4284 1 969 . 1 1 94 94 LYS H H 1 7.534 0.05 . 1 . . . . . . . . 4284 1 970 . 1 1 95 95 ASP CA C 13 52.985 0.1 . 1 . . . . . . . . 4284 1 971 . 1 1 95 95 ASP C C 13 177.810 0.1 . 1 . . . . . . . . 4284 1 972 . 1 1 95 95 ASP CB C 13 39.477 0.1 . 1 . . . . . . . . 4284 1 973 . 1 1 95 95 ASP N N 15 113.652 0.05 . 1 . . . . . . . . 4284 1 974 . 1 1 95 95 ASP HB3 H 1 2.590 0.05 . 2 . . . . . . . . 4284 1 975 . 1 1 95 95 ASP HB2 H 1 3.000 0.05 . 2 . . . . . . . . 4284 1 976 . 1 1 95 95 ASP HA H 1 4.450 0.05 . 1 . . . . . . . . 4284 1 977 . 1 1 95 95 ASP H H 1 8.363 0.05 . 1 . . . . . . . . 4284 1 978 . 1 1 96 96 GLY CA C 13 46.884 0.1 . 1 . . . . . . . . 4284 1 979 . 1 1 96 96 GLY C C 13 175.100 0.1 . 1 . . . . . . . . 4284 1 980 . 1 1 96 96 GLY N N 15 108.862 0.05 . 1 . . . . . . . . 4284 1 981 . 1 1 96 96 GLY HA3 H 1 3.760 0.05 . 1 . . . . . . . . 4284 1 982 . 1 1 96 96 GLY HA2 H 1 3.760 0.05 . 1 . . . . . . . . 4284 1 983 . 1 1 96 96 GLY H H 1 7.783 0.05 . 1 . . . . . . . . 4284 1 984 . 1 1 97 97 ASN CA C 13 53.083 0.1 . 1 . . . . . . . . 4284 1 985 . 1 1 97 97 ASN C C 13 175.980 0.1 . 1 . . . . . . . . 4284 1 986 . 1 1 97 97 ASN CB C 13 37.831 0.1 . 1 . . . . . . . . 4284 1 987 . 1 1 97 97 ASN N N 15 119.368 0.05 . 1 . . . . . . . . 4284 1 988 . 1 1 97 97 ASN HB3 H 1 2.600 0.05 . 2 . . . . . . . . 4284 1 989 . 1 1 97 97 ASN HB2 H 1 3.320 0.05 . 2 . . . . . . . . 4284 1 990 . 1 1 97 97 ASN HA H 1 4.570 0.05 . 1 . . . . . . . . 4284 1 991 . 1 1 97 97 ASN H H 1 8.301 0.05 . 1 . . . . . . . . 4284 1 992 . 1 1 98 98 GLY CA C 13 44.786 0.1 . 1 . . . . . . . . 4284 1 993 . 1 1 98 98 GLY C C 13 172.680 0.1 . 1 . . . . . . . . 4284 1 994 . 1 1 98 98 GLY N N 15 112.396 0.05 . 1 . . . . . . . . 4284 1 995 . 1 1 98 98 GLY HA3 H 1 3.390 0.05 . 2 . . . . . . . . 4284 1 996 . 1 1 98 98 GLY HA2 H 1 4.040 0.05 . 2 . . . . . . . . 4284 1 997 . 1 1 98 98 GLY H H 1 10.657 0.05 . 1 . . . . . . . . 4284 1 998 . 1 1 99 99 TYR CA C 13 56.136 0.1 . 1 . . . . . . . . 4284 1 999 . 1 1 99 99 TYR C C 13 174.560 0.1 . 1 . . . . . . . . 4284 1 1000 . 1 1 99 99 TYR CB C 13 42.335 0.1 . 1 . . . . . . . . 4284 1 1001 . 1 1 99 99 TYR CD1 C 13 132.462 0.1 . 1 . . . . . . . . 4284 1 1002 . 1 1 99 99 TYR CE1 C 13 118.791 0.1 . 1 . . . . . . . . 4284 1 1003 . 1 1 99 99 TYR CE2 C 13 118.791 0.1 . 1 . . . . . . . . 4284 1 1004 . 1 1 99 99 TYR CD2 C 13 132.462 0.1 . 1 . . . . . . . . 4284 1 1005 . 1 1 99 99 TYR N N 15 115.917 0.05 . 1 . . . . . . . . 4284 1 1006 . 1 1 99 99 TYR HD2 H 1 6.654 0.05 . 1 . . . . . . . . 4284 1 1007 . 1 1 99 99 TYR HE2 H 1 6.790 0.05 . 1 . . . . . . . . 4284 1 1008 . 1 1 99 99 TYR HE1 H 1 6.790 0.05 . 1 . . . . . . . . 4284 1 1009 . 1 1 99 99 TYR HD1 H 1 6.654 0.05 . 1 . . . . . . . . 4284 1 1010 . 1 1 99 99 TYR HB3 H 1 2.412 0.05 . 2 . . . . . . . . 4284 1 1011 . 1 1 99 99 TYR HB2 H 1 2.480 0.05 . 2 . . . . . . . . 4284 1 1012 . 1 1 99 99 TYR HA H 1 4.910 0.05 . 1 . . . . . . . . 4284 1 1013 . 1 1 99 99 TYR H H 1 7.616 0.05 . 1 . . . . . . . . 4284 1 1014 . 1 1 100 100 ILE CA C 13 61.234 0.1 . 1 . . . . . . . . 4284 1 1015 . 1 1 100 100 ILE C C 13 175.500 0.1 . 1 . . . . . . . . 4284 1 1016 . 1 1 100 100 ILE CB C 13 39.141 0.1 . 1 . . . . . . . . 4284 1 1017 . 1 1 100 100 ILE CG1 C 13 26.143 0.1 . 1 . . . . . . . . 4284 1 1018 . 1 1 100 100 ILE CG2 C 13 17.564 0.1 . 1 . . . . . . . . 4284 1 1019 . 1 1 100 100 ILE N N 15 127.027 0.05 . 1 . . . . . . . . 4284 1 1020 . 1 1 100 100 ILE HD11 H 1 0.473 0.05 . 1 . . . . . . . . 4284 1 1021 . 1 1 100 100 ILE HD12 H 1 0.473 0.05 . 1 . . . . . . . . 4284 1 1022 . 1 1 100 100 ILE HD13 H 1 0.473 0.05 . 1 . . . . . . . . 4284 1 1023 . 1 1 100 100 ILE HG21 H 1 0.913 0.05 . 1 . . . . . . . . 4284 1 1024 . 1 1 100 100 ILE HG22 H 1 0.913 0.05 . 1 . . . . . . . . 4284 1 1025 . 1 1 100 100 ILE HG23 H 1 0.913 0.05 . 1 . . . . . . . . 4284 1 1026 . 1 1 100 100 ILE HG13 H 1 1.270 0.05 . 2 . . . . . . . . 4284 1 1027 . 1 1 100 100 ILE HG12 H 1 0.090 0.05 . 2 . . . . . . . . 4284 1 1028 . 1 1 100 100 ILE HB H 1 1.870 0.05 . 1 . . . . . . . . 4284 1 1029 . 1 1 100 100 ILE HA H 1 4.570 0.05 . 1 . . . . . . . . 4284 1 1030 . 1 1 100 100 ILE H H 1 10.033 0.05 . 1 . . . . . . . . 4284 1 1031 . 1 1 101 101 SER CA C 13 55.609 0.1 . 1 . . . . . . . . 4284 1 1032 . 1 1 101 101 SER C C 13 174.960 0.1 . 1 . . . . . . . . 4284 1 1033 . 1 1 101 101 SER CB C 13 66.615 0.1 . 1 . . . . . . . . 4284 1 1034 . 1 1 101 101 SER N N 15 123.351 0.05 . 1 . . . . . . . . 4284 1 1035 . 1 1 101 101 SER HB3 H 1 3.900 0.05 . 2 . . . . . . . . 4284 1 1036 . 1 1 101 101 SER HB2 H 1 4.390 0.05 . 2 . . . . . . . . 4284 1 1037 . 1 1 101 101 SER HA H 1 4.880 0.05 . 1 . . . . . . . . 4284 1 1038 . 1 1 101 101 SER H H 1 8.868 0.05 . 1 . . . . . . . . 4284 1 1039 . 1 1 102 102 ALA CA C 13 55.746 0.1 . 1 . . . . . . . . 4284 1 1040 . 1 1 102 102 ALA C C 13 179.200 0.1 . 1 . . . . . . . . 4284 1 1041 . 1 1 102 102 ALA CB C 13 17.571 0.1 . 1 . . . . . . . . 4284 1 1042 . 1 1 102 102 ALA N N 15 122.815 0.05 . 1 . . . . . . . . 4284 1 1043 . 1 1 102 102 ALA HB1 H 1 1.370 0.05 . 1 . . . . . . . . 4284 1 1044 . 1 1 102 102 ALA HB2 H 1 1.370 0.05 . 1 . . . . . . . . 4284 1 1045 . 1 1 102 102 ALA HB3 H 1 1.370 0.05 . 1 . . . . . . . . 4284 1 1046 . 1 1 102 102 ALA HA H 1 3.805 0.05 . 1 . . . . . . . . 4284 1 1047 . 1 1 102 102 ALA H H 1 9.265 0.05 . 1 . . . . . . . . 4284 1 1048 . 1 1 103 103 ALA CA C 13 55.162 0.1 . 1 . . . . . . . . 4284 1 1049 . 1 1 103 103 ALA C C 13 180.980 0.1 . 1 . . . . . . . . 4284 1 1050 . 1 1 103 103 ALA CB C 13 17.861 0.1 . 1 . . . . . . . . 4284 1 1051 . 1 1 103 103 ALA N N 15 117.886 0.05 . 1 . . . . . . . . 4284 1 1052 . 1 1 103 103 ALA HB1 H 1 1.350 0.05 . 1 . . . . . . . . 4284 1 1053 . 1 1 103 103 ALA HB2 H 1 1.350 0.05 . 1 . . . . . . . . 4284 1 1054 . 1 1 103 103 ALA HB3 H 1 1.350 0.05 . 1 . . . . . . . . 4284 1 1055 . 1 1 103 103 ALA HA H 1 3.960 0.05 . 1 . . . . . . . . 4284 1 1056 . 1 1 103 103 ALA H H 1 8.152 0.05 . 1 . . . . . . . . 4284 1 1057 . 1 1 104 104 GLU CA C 13 59.238 0.1 . 1 . . . . . . . . 4284 1 1058 . 1 1 104 104 GLU C C 13 179.020 0.1 . 1 . . . . . . . . 4284 1 1059 . 1 1 104 104 GLU CB C 13 28.788 0.1 . 1 . . . . . . . . 4284 1 1060 . 1 1 104 104 GLU CG C 13 37.842 0.1 . 1 . . . . . . . . 4284 1 1061 . 1 1 104 104 GLU N N 15 119.063 0.05 . 1 . . . . . . . . 4284 1 1062 . 1 1 104 104 GLU HG3 H 1 2.280 0.05 . 1 . . . . . . . . 4284 1 1063 . 1 1 104 104 GLU HG2 H 1 2.280 0.05 . 1 . . . . . . . . 4284 1 1064 . 1 1 104 104 GLU HB3 H 1 1.890 0.05 . 1 . . . . . . . . 4284 1 1065 . 1 1 104 104 GLU HB2 H 1 1.890 0.05 . 1 . . . . . . . . 4284 1 1066 . 1 1 104 104 GLU HA H 1 4.050 0.05 . 1 . . . . . . . . 4284 1 1067 . 1 1 104 104 GLU H H 1 7.665 0.05 . 1 . . . . . . . . 4284 1 1068 . 1 1 105 105 LEU CA C 13 58.322 0.1 . 1 . . . . . . . . 4284 1 1069 . 1 1 105 105 LEU C C 13 178.500 0.1 . 1 . . . . . . . . 4284 1 1070 . 1 1 105 105 LEU CB C 13 42.329 0.1 . 1 . . . . . . . . 4284 1 1071 . 1 1 105 105 LEU CG C 13 26.670 0.1 . 1 . . . . . . . . 4284 1 1072 . 1 1 105 105 LEU CD1 C 13 25.880 0.1 . 1 . . . . . . . . 4284 1 1073 . 1 1 105 105 LEU CD2 C 13 24.583 0.1 . 1 . . . . . . . . 4284 1 1074 . 1 1 105 105 LEU N N 15 119.904 0.05 . 1 . . . . . . . . 4284 1 1075 . 1 1 105 105 LEU HD21 H 1 0.470 0.05 . 2 . . . . . . . . 4284 1 1076 . 1 1 105 105 LEU HD22 H 1 0.470 0.05 . 2 . . . . . . . . 4284 1 1077 . 1 1 105 105 LEU HD23 H 1 0.470 0.05 . 2 . . . . . . . . 4284 1 1078 . 1 1 105 105 LEU HD11 H 1 0.540 0.05 . 2 . . . . . . . . 4284 1 1079 . 1 1 105 105 LEU HD12 H 1 0.540 0.05 . 2 . . . . . . . . 4284 1 1080 . 1 1 105 105 LEU HD13 H 1 0.540 0.05 . 2 . . . . . . . . 4284 1 1081 . 1 1 105 105 LEU HG H 1 1.240 0.05 . 1 . . . . . . . . 4284 1 1082 . 1 1 105 105 LEU HB3 H 1 1.644 0.05 . 2 . . . . . . . . 4284 1 1083 . 1 1 105 105 LEU HB2 H 1 1.434 0.05 . 2 . . . . . . . . 4284 1 1084 . 1 1 105 105 LEU HA H 1 3.910 0.05 . 1 . . . . . . . . 4284 1 1085 . 1 1 105 105 LEU H H 1 8.570 0.05 . 1 . . . . . . . . 4284 1 1086 . 1 1 106 106 ARG CA C 13 59.784 0.1 . 1 . . . . . . . . 4284 1 1087 . 1 1 106 106 ARG C C 13 178.840 0.1 . 1 . . . . . . . . 4284 1 1088 . 1 1 106 106 ARG CB C 13 30.167 0.1 . 1 . . . . . . . . 4284 1 1089 . 1 1 106 106 ARG CG C 13 27.443 0.1 . 1 . . . . . . . . 4284 1 1090 . 1 1 106 106 ARG CD C 13 43.561 0.1 . 1 . . . . . . . . 4284 1 1091 . 1 1 106 106 ARG N N 15 116.322 0.05 . 1 . . . . . . . . 4284 1 1092 . 1 1 106 106 ARG HD3 H 1 3.140 0.05 . 1 . . . . . . . . 4284 1 1093 . 1 1 106 106 ARG HD2 H 1 3.140 0.05 . 1 . . . . . . . . 4284 1 1094 . 1 1 106 106 ARG HG3 H 1 1.500 0.05 . 1 . . . . . . . . 4284 1 1095 . 1 1 106 106 ARG HG2 H 1 1.500 0.05 . 1 . . . . . . . . 4284 1 1096 . 1 1 106 106 ARG HB3 H 1 1.840 0.05 . 1 . . . . . . . . 4284 1 1097 . 1 1 106 106 ARG HB2 H 1 1.840 0.05 . 1 . . . . . . . . 4284 1 1098 . 1 1 106 106 ARG HA H 1 3.640 0.05 . 1 . . . . . . . . 4284 1 1099 . 1 1 106 106 ARG H H 1 8.340 0.05 . 1 . . . . . . . . 4284 1 1100 . 1 1 107 107 HIS CA C 13 59.809 0.1 . 1 . . . . . . . . 4284 1 1101 . 1 1 107 107 HIS C C 13 177.740 0.1 . 1 . . . . . . . . 4284 1 1102 . 1 1 107 107 HIS CB C 13 30.439 0.1 . 1 . . . . . . . . 4284 1 1103 . 1 1 107 107 HIS N N 15 119.391 0.05 . 1 . . . . . . . . 4284 1 1104 . 1 1 107 107 HIS HB3 H 1 3.230 0.05 . 2 . . . . . . . . 4284 1 1105 . 1 1 107 107 HIS HB2 H 1 3.130 0.05 . 2 . . . . . . . . 4284 1 1106 . 1 1 107 107 HIS HA H 1 4.170 0.05 . 1 . . . . . . . . 4284 1 1107 . 1 1 107 107 HIS H H 1 7.837 0.05 . 1 . . . . . . . . 4284 1 1108 . 1 1 108 108 VAL CA C 13 66.864 0.1 . 1 . . . . . . . . 4284 1 1109 . 1 1 108 108 VAL C C 13 178.480 0.1 . 1 . . . . . . . . 4284 1 1110 . 1 1 108 108 VAL CB C 13 31.863 0.1 . 1 . . . . . . . . 4284 1 1111 . 1 1 108 108 VAL CG1 C 13 23.543 0.1 . 1 . . . . . . . . 4284 1 1112 . 1 1 108 108 VAL CG2 C 13 20.684 0.1 . 1 . . . . . . . . 4284 1 1113 . 1 1 108 108 VAL N N 15 119.487 0.05 . 1 . . . . . . . . 4284 1 1114 . 1 1 108 108 VAL HG21 H 1 0.440 0.05 . 2 . . . . . . . . 4284 1 1115 . 1 1 108 108 VAL HG22 H 1 0.440 0.05 . 2 . . . . . . . . 4284 1 1116 . 1 1 108 108 VAL HG23 H 1 0.440 0.05 . 2 . . . . . . . . 4284 1 1117 . 1 1 108 108 VAL HG11 H 1 1.180 0.05 . 2 . . . . . . . . 4284 1 1118 . 1 1 108 108 VAL HG12 H 1 1.180 0.05 . 2 . . . . . . . . 4284 1 1119 . 1 1 108 108 VAL HG13 H 1 1.180 0.05 . 2 . . . . . . . . 4284 1 1120 . 1 1 108 108 VAL HB H 1 2.030 0.05 . 1 . . . . . . . . 4284 1 1121 . 1 1 108 108 VAL HA H 1 3.450 0.05 . 1 . . . . . . . . 4284 1 1122 . 1 1 108 108 VAL H H 1 8.906 0.05 . 1 . . . . . . . . 4284 1 1123 . 1 1 109 109 MET CA C 13 57.554 0.1 . 1 . . . . . . . . 4284 1 1124 . 1 1 109 109 MET C C 13 178.870 0.1 . 1 . . . . . . . . 4284 1 1125 . 1 1 109 109 MET CB C 13 29.820 0.1 . 1 . . . . . . . . 4284 1 1126 . 1 1 109 109 MET CG C 13 33.519 0.1 . 1 . . . . . . . . 4284 1 1127 . 1 1 109 109 MET CE C 13 15.921 0.1 . 1 . . . . . . . . 4284 1 1128 . 1 1 109 109 MET N N 15 114.866 0.05 . 1 . . . . . . . . 4284 1 1129 . 1 1 109 109 MET HE1 H 1 1.788 0.05 . 1 . . . . . . . . 4284 1 1130 . 1 1 109 109 MET HE2 H 1 1.788 0.05 . 1 . . . . . . . . 4284 1 1131 . 1 1 109 109 MET HE3 H 1 1.788 0.05 . 1 . . . . . . . . 4284 1 1132 . 1 1 109 109 MET HG3 H 1 2.599 0.05 . 2 . . . . . . . . 4284 1 1133 . 1 1 109 109 MET HG2 H 1 2.506 0.05 . 2 . . . . . . . . 4284 1 1134 . 1 1 109 109 MET HB3 H 1 1.850 0.05 . 2 . . . . . . . . 4284 1 1135 . 1 1 109 109 MET HB2 H 1 2.060 0.05 . 2 . . . . . . . . 4284 1 1136 . 1 1 109 109 MET HA H 1 4.210 0.05 . 1 . . . . . . . . 4284 1 1137 . 1 1 109 109 MET H H 1 8.453 0.05 . 1 . . . . . . . . 4284 1 1138 . 1 1 110 110 THR CA C 13 66.676 0.1 . 1 . . . . . . . . 4284 1 1139 . 1 1 110 110 THR C C 13 178.260 0.1 . 1 . . . . . . . . 4284 1 1140 . 1 1 110 110 THR CB C 13 68.385 0.1 . 1 . . . . . . . . 4284 1 1141 . 1 1 110 110 THR N N 15 114.900 0.05 . 1 . . . . . . . . 4284 1 1142 . 1 1 110 110 THR HG21 H 1 1.120 0.05 . 1 . . . . . . . . 4284 1 1143 . 1 1 110 110 THR HG22 H 1 1.120 0.05 . 1 . . . . . . . . 4284 1 1144 . 1 1 110 110 THR HG23 H 1 1.120 0.05 . 1 . . . . . . . . 4284 1 1145 . 1 1 110 110 THR HB H 1 4.210 0.05 . 1 . . . . . . . . 4284 1 1146 . 1 1 110 110 THR HA H 1 3.930 0.05 . 1 . . . . . . . . 4284 1 1147 . 1 1 110 110 THR H H 1 7.765 0.05 . 1 . . . . . . . . 4284 1 1148 . 1 1 111 111 ASN CA C 13 56.007 0.1 . 1 . . . . . . . . 4284 1 1149 . 1 1 111 111 ASN C C 13 176.630 0.1 . 1 . . . . . . . . 4284 1 1150 . 1 1 111 111 ASN CB C 13 37.988 0.1 . 1 . . . . . . . . 4284 1 1151 . 1 1 111 111 ASN ND2 N 15 110.936 0.05 . 1 . . . . . . . . 4284 1 1152 . 1 1 111 111 ASN N N 15 122.422 0.05 . 1 . . . . . . . . 4284 1 1153 . 1 1 111 111 ASN HD22 H 1 7.238 0.05 . 1 . . . . . . . . 4284 1 1154 . 1 1 111 111 ASN HD21 H 1 6.388 0.05 . 1 . . . . . . . . 4284 1 1155 . 1 1 111 111 ASN HB3 H 1 2.700 0.05 . 1 . . . . . . . . 4284 1 1156 . 1 1 111 111 ASN HB2 H 1 2.700 0.05 . 1 . . . . . . . . 4284 1 1157 . 1 1 111 111 ASN HA H 1 4.260 0.05 . 1 . . . . . . . . 4284 1 1158 . 1 1 111 111 ASN H H 1 7.834 0.05 . 1 . . . . . . . . 4284 1 1159 . 1 1 112 112 LEU CA C 13 55.197 0.1 . 1 . . . . . . . . 4284 1 1160 . 1 1 112 112 LEU C C 13 176.660 0.1 . 1 . . . . . . . . 4284 1 1161 . 1 1 112 112 LEU CB C 13 41.748 0.1 . 1 . . . . . . . . 4284 1 1162 . 1 1 112 112 LEU CG C 13 26.143 0.1 . 1 . . . . . . . . 4284 1 1163 . 1 1 112 112 LEU CD1 C 13 21.724 0.1 . 1 . . . . . . . . 4284 1 1164 . 1 1 112 112 LEU CD2 C 13 21.724 0.1 . 1 . . . . . . . . 4284 1 1165 . 1 1 112 112 LEU N N 15 117.907 0.05 . 1 . . . . . . . . 4284 1 1166 . 1 1 112 112 LEU HG H 1 1.830 0.05 . 1 . . . . . . . . 4284 1 1167 . 1 1 112 112 LEU HB3 H 1 1.490 0.05 . 2 . . . . . . . . 4284 1 1168 . 1 1 112 112 LEU HB2 H 1 1.830 0.05 . 2 . . . . . . . . 4284 1 1169 . 1 1 112 112 LEU HA H 1 4.230 0.05 . 1 . . . . . . . . 4284 1 1170 . 1 1 112 112 LEU H H 1 7.797 0.05 . 1 . . . . . . . . 4284 1 1171 . 1 1 113 113 GLY CA C 13 44.895 0.1 . 1 . . . . . . . . 4284 1 1172 . 1 1 113 113 GLY C C 13 173.990 0.1 . 1 . . . . . . . . 4284 1 1173 . 1 1 113 113 GLY N N 15 105.014 0.05 . 1 . . . . . . . . 4284 1 1174 . 1 1 113 113 GLY HA3 H 1 3.580 0.05 . 2 . . . . . . . . 4284 1 1175 . 1 1 113 113 GLY HA2 H 1 4.220 0.05 . 2 . . . . . . . . 4284 1 1176 . 1 1 113 113 GLY H H 1 7.609 0.05 . 1 . . . . . . . . 4284 1 1177 . 1 1 114 114 GLU CA C 13 54.414 0.1 . 1 . . . . . . . . 4284 1 1178 . 1 1 114 114 GLU C C 13 174.210 0.1 . 1 . . . . . . . . 4284 1 1179 . 1 1 114 114 GLU CB C 13 29.642 0.1 . 1 . . . . . . . . 4284 1 1180 . 1 1 114 114 GLU CG C 13 34.722 0.1 . 1 . . . . . . . . 4284 1 1181 . 1 1 114 114 GLU N N 15 120.417 0.05 . 1 . . . . . . . . 4284 1 1182 . 1 1 114 114 GLU HG3 H 1 1.820 0.05 . 1 . . . . . . . . 4284 1 1183 . 1 1 114 114 GLU HG2 H 1 1.820 0.05 . 1 . . . . . . . . 4284 1 1184 . 1 1 114 114 GLU HB3 H 1 1.520 0.05 . 1 . . . . . . . . 4284 1 1185 . 1 1 114 114 GLU HB2 H 1 1.520 0.05 . 1 . . . . . . . . 4284 1 1186 . 1 1 114 114 GLU HA H 1 4.260 0.05 . 1 . . . . . . . . 4284 1 1187 . 1 1 114 114 GLU H H 1 7.952 0.05 . 1 . . . . . . . . 4284 1 1188 . 1 1 115 115 LYS CA C 13 55.620 0.1 . 1 . . . . . . . . 4284 1 1189 . 1 1 115 115 LYS C C 13 175.470 0.1 . 1 . . . . . . . . 4284 1 1190 . 1 1 115 115 LYS CB C 13 31.377 0.1 . 1 . . . . . . . . 4284 1 1191 . 1 1 115 115 LYS CG C 13 24.323 0.1 . 1 . . . . . . . . 4284 1 1192 . 1 1 115 115 LYS CD C 13 29.003 0.1 . 1 . . . . . . . . 4284 1 1193 . 1 1 115 115 LYS CE C 13 41.742 0.1 . 1 . . . . . . . . 4284 1 1194 . 1 1 115 115 LYS N N 15 123.699 0.05 . 1 . . . . . . . . 4284 1 1195 . 1 1 115 115 LYS HG3 H 1 1.220 0.05 . 1 . . . . . . . . 4284 1 1196 . 1 1 115 115 LYS HG2 H 1 1.220 0.05 . 1 . . . . . . . . 4284 1 1197 . 1 1 115 115 LYS HB3 H 1 1.600 0.05 . 1 . . . . . . . . 4284 1 1198 . 1 1 115 115 LYS HB2 H 1 1.600 0.05 . 1 . . . . . . . . 4284 1 1199 . 1 1 115 115 LYS HA H 1 4.190 0.05 . 1 . . . . . . . . 4284 1 1200 . 1 1 115 115 LYS H H 1 8.252 0.05 . 1 . . . . . . . . 4284 1 1201 . 1 1 116 116 LEU CA C 13 53.793 0.1 . 1 . . . . . . . . 4284 1 1202 . 1 1 116 116 LEU C C 13 178.130 0.1 . 1 . . . . . . . . 4284 1 1203 . 1 1 116 116 LEU CB C 13 44.405 0.1 . 1 . . . . . . . . 4284 1 1204 . 1 1 116 116 LEU CG C 13 27.703 0.1 . 1 . . . . . . . . 4284 1 1205 . 1 1 116 116 LEU CD1 C 13 26.923 0.1 . 1 . . . . . . . . 4284 1 1206 . 1 1 116 116 LEU CD2 C 13 26.923 0.1 . 1 . . . . . . . . 4284 1 1207 . 1 1 116 116 LEU N N 15 124.420 0.05 . 1 . . . . . . . . 4284 1 1208 . 1 1 116 116 LEU HG H 1 0.618 0.05 . 1 . . . . . . . . 4284 1 1209 . 1 1 116 116 LEU HB3 H 1 1.470 0.05 . 1 . . . . . . . . 4284 1 1210 . 1 1 116 116 LEU HB2 H 1 1.470 0.05 . 1 . . . . . . . . 4284 1 1211 . 1 1 116 116 LEU HA H 1 4.670 0.05 . 1 . . . . . . . . 4284 1 1212 . 1 1 116 116 LEU H H 1 7.983 0.05 . 1 . . . . . . . . 4284 1 1213 . 1 1 117 117 THR CA C 13 60.318 0.1 . 1 . . . . . . . . 4284 1 1214 . 1 1 117 117 THR C C 13 175.440 0.1 . 1 . . . . . . . . 4284 1 1215 . 1 1 117 117 THR CB C 13 71.169 0.1 . 1 . . . . . . . . 4284 1 1216 . 1 1 117 117 THR N N 15 113.414 0.05 . 1 . . . . . . . . 4284 1 1217 . 1 1 117 117 THR HG21 H 1 1.200 0.05 . 1 . . . . . . . . 4284 1 1218 . 1 1 117 117 THR HG22 H 1 1.200 0.05 . 1 . . . . . . . . 4284 1 1219 . 1 1 117 117 THR HG23 H 1 1.200 0.05 . 1 . . . . . . . . 4284 1 1220 . 1 1 117 117 THR HB H 1 4.680 0.05 . 1 . . . . . . . . 4284 1 1221 . 1 1 117 117 THR HA H 1 4.400 0.05 . 1 . . . . . . . . 4284 1 1222 . 1 1 117 117 THR H H 1 9.072 0.05 . 1 . . . . . . . . 4284 1 1223 . 1 1 118 118 ASP CA C 13 57.787 0.1 . 1 . . . . . . . . 4284 1 1224 . 1 1 118 118 ASP C C 13 178.590 0.1 . 1 . . . . . . . . 4284 1 1225 . 1 1 118 118 ASP CB C 13 39.446 0.1 . 1 . . . . . . . . 4284 1 1226 . 1 1 118 118 ASP N N 15 120.273 0.05 . 1 . . . . . . . . 4284 1 1227 . 1 1 118 118 ASP HB3 H 1 2.490 0.05 . 2 . . . . . . . . 4284 1 1228 . 1 1 118 118 ASP HB2 H 1 2.630 0.05 . 2 . . . . . . . . 4284 1 1229 . 1 1 118 118 ASP HA H 1 4.140 0.05 . 1 . . . . . . . . 4284 1 1230 . 1 1 118 118 ASP H H 1 8.746 0.05 . 1 . . . . . . . . 4284 1 1231 . 1 1 119 119 GLU CA C 13 59.470 0.1 . 1 . . . . . . . . 4284 1 1232 . 1 1 119 119 GLU C C 13 179.030 0.1 . 1 . . . . . . . . 4284 1 1233 . 1 1 119 119 GLU CB C 13 28.789 0.1 . 1 . . . . . . . . 4284 1 1234 . 1 1 119 119 GLU CG C 13 36.542 0.1 . 1 . . . . . . . . 4284 1 1235 . 1 1 119 119 GLU N N 15 118.618 0.05 . 1 . . . . . . . . 4284 1 1236 . 1 1 119 119 GLU HG3 H 1 2.250 0.05 . 1 . . . . . . . . 4284 1 1237 . 1 1 119 119 GLU HG2 H 1 2.250 0.05 . 1 . . . . . . . . 4284 1 1238 . 1 1 119 119 GLU HB3 H 1 1.860 0.05 . 1 . . . . . . . . 4284 1 1239 . 1 1 119 119 GLU HB2 H 1 1.860 0.05 . 1 . . . . . . . . 4284 1 1240 . 1 1 119 119 GLU HA H 1 3.990 0.05 . 1 . . . . . . . . 4284 1 1241 . 1 1 119 119 GLU H H 1 8.403 0.05 . 1 . . . . . . . . 4284 1 1242 . 1 1 120 120 GLU CA C 13 59.429 0.1 . 1 . . . . . . . . 4284 1 1243 . 1 1 120 120 GLU C C 13 179.350 0.1 . 1 . . . . . . . . 4284 1 1244 . 1 1 120 120 GLU CB C 13 29.913 0.1 . 1 . . . . . . . . 4284 1 1245 . 1 1 120 120 GLU CG C 13 36.542 0.1 . 1 . . . . . . . . 4284 1 1246 . 1 1 120 120 GLU N N 15 120.029 0.05 . 1 . . . . . . . . 4284 1 1247 . 1 1 120 120 GLU HG3 H 1 2.260 0.05 . 1 . . . . . . . . 4284 1 1248 . 1 1 120 120 GLU HG2 H 1 2.260 0.05 . 1 . . . . . . . . 4284 1 1249 . 1 1 120 120 GLU HB3 H 1 1.910 0.05 . 1 . . . . . . . . 4284 1 1250 . 1 1 120 120 GLU HB2 H 1 1.910 0.05 . 1 . . . . . . . . 4284 1 1251 . 1 1 120 120 GLU HA H 1 3.970 0.05 . 1 . . . . . . . . 4284 1 1252 . 1 1 120 120 GLU H H 1 7.525 0.05 . 1 . . . . . . . . 4284 1 1253 . 1 1 121 121 VAL CA C 13 64.606 0.1 . 1 . . . . . . . . 4284 1 1254 . 1 1 121 121 VAL C C 13 177.920 0.1 . 1 . . . . . . . . 4284 1 1255 . 1 1 121 121 VAL CB C 13 36.979 0.1 . 1 . . . . . . . . 4284 1 1256 . 1 1 121 121 VAL CG1 C 13 18.604 0.1 . 1 . . . . . . . . 4284 1 1257 . 1 1 121 121 VAL CG2 C 13 28.743 0.1 . 1 . . . . . . . . 4284 1 1258 . 1 1 121 121 VAL N N 15 120.504 0.05 . 1 . . . . . . . . 4284 1 1259 . 1 1 121 121 VAL HG21 H 1 0.659 0.05 . 2 . . . . . . . . 4284 1 1260 . 1 1 121 121 VAL HG22 H 1 0.659 0.05 . 2 . . . . . . . . 4284 1 1261 . 1 1 121 121 VAL HG23 H 1 0.659 0.05 . 2 . . . . . . . . 4284 1 1262 . 1 1 121 121 VAL HG11 H 1 1.040 0.05 . 2 . . . . . . . . 4284 1 1263 . 1 1 121 121 VAL HG12 H 1 1.040 0.05 . 2 . . . . . . . . 4284 1 1264 . 1 1 121 121 VAL HG13 H 1 1.040 0.05 . 2 . . . . . . . . 4284 1 1265 . 1 1 121 121 VAL HB H 1 2.100 0.05 . 1 . . . . . . . . 4284 1 1266 . 1 1 121 121 VAL HA H 1 3.880 0.05 . 1 . . . . . . . . 4284 1 1267 . 1 1 121 121 VAL H H 1 7.791 0.05 . 1 . . . . . . . . 4284 1 1268 . 1 1 122 122 ASP CA C 13 60.017 0.1 . 1 . . . . . . . . 4284 1 1269 . 1 1 122 122 ASP C C 13 179.130 0.1 . 1 . . . . . . . . 4284 1 1270 . 1 1 122 122 ASP CB C 13 29.505 0.1 . 1 . . . . . . . . 4284 1 1271 . 1 1 122 122 ASP N N 15 120.998 0.05 . 1 . . . . . . . . 4284 1 1272 . 1 1 122 122 ASP HB3 H 1 1.790 0.05 . 2 . . . . . . . . 4284 1 1273 . 1 1 122 122 ASP HB2 H 1 2.020 0.05 . 2 . . . . . . . . 4284 1 1274 . 1 1 122 122 ASP HA H 1 4.050 0.05 . 1 . . . . . . . . 4284 1 1275 . 1 1 122 122 ASP H H 1 8.322 0.05 . 1 . . . . . . . . 4284 1 1276 . 1 1 123 123 GLU CA C 13 59.420 0.1 . 1 . . . . . . . . 4284 1 1277 . 1 1 123 123 GLU C C 13 178.500 0.1 . 1 . . . . . . . . 4284 1 1278 . 1 1 123 123 GLU CB C 13 29.003 0.1 . 1 . . . . . . . . 4284 1 1279 . 1 1 123 123 GLU CG C 13 35.762 0.1 . 1 . . . . . . . . 4284 1 1280 . 1 1 123 123 GLU N N 15 117.405 0.05 . 1 . . . . . . . . 4284 1 1281 . 1 1 123 123 GLU HG3 H 1 2.270 0.05 . 1 . . . . . . . . 4284 1 1282 . 1 1 123 123 GLU HG2 H 1 2.270 0.05 . 1 . . . . . . . . 4284 1 1283 . 1 1 123 123 GLU HB3 H 1 2.020 0.05 . 1 . . . . . . . . 4284 1 1284 . 1 1 123 123 GLU HB2 H 1 2.020 0.05 . 1 . . . . . . . . 4284 1 1285 . 1 1 123 123 GLU HA H 1 4.030 0.05 . 1 . . . . . . . . 4284 1 1286 . 1 1 123 123 GLU H H 1 8.125 0.05 . 1 . . . . . . . . 4284 1 1287 . 1 1 124 124 MET CA C 13 59.420 0.1 . 1 . . . . . . . . 4284 1 1288 . 1 1 124 124 MET C C 13 180.090 0.1 . 1 . . . . . . . . 4284 1 1289 . 1 1 124 124 MET CB C 13 29.102 0.1 . 1 . . . . . . . . 4284 1 1290 . 1 1 124 124 MET CG C 13 33.850 0.1 . 1 . . . . . . . . 4284 1 1291 . 1 1 124 124 MET CE C 13 14.850 0.1 . 1 . . . . . . . . 4284 1 1292 . 1 1 124 124 MET N N 15 117.961 0.05 . 1 . . . . . . . . 4284 1 1293 . 1 1 124 124 MET HE1 H 1 0.419 0.05 . 1 . . . . . . . . 4284 1 1294 . 1 1 124 124 MET HE2 H 1 0.419 0.05 . 1 . . . . . . . . 4284 1 1295 . 1 1 124 124 MET HE3 H 1 0.419 0.05 . 1 . . . . . . . . 4284 1 1296 . 1 1 124 124 MET HB3 H 1 2.040 0.05 . 1 . . . . . . . . 4284 1 1297 . 1 1 124 124 MET HB2 H 1 2.040 0.05 . 1 . . . . . . . . 4284 1 1298 . 1 1 124 124 MET H H 1 8.021 0.05 . 1 . . . . . . . . 4284 1 1299 . 1 1 125 125 ILE CA C 13 64.020 0.1 . 1 . . . . . . . . 4284 1 1300 . 1 1 125 125 ILE C C 13 177.380 0.1 . 1 . . . . . . . . 4284 1 1301 . 1 1 125 125 ILE CB C 13 35.762 0.1 . 1 . . . . . . . . 4284 1 1302 . 1 1 125 125 ILE CG1 C 13 27.443 0.1 . 1 . . . . . . . . 4284 1 1303 . 1 1 125 125 ILE CG2 C 13 16.524 0.1 . 1 . . . . . . . . 4284 1 1304 . 1 1 125 125 ILE N N 15 119.873 0.05 . 1 . . . . . . . . 4284 1 1305 . 1 1 125 125 ILE HD11 H 1 0.672 0.05 . 1 . . . . . . . . 4284 1 1306 . 1 1 125 125 ILE HD12 H 1 0.672 0.05 . 1 . . . . . . . . 4284 1 1307 . 1 1 125 125 ILE HD13 H 1 0.672 0.05 . 1 . . . . . . . . 4284 1 1308 . 1 1 125 125 ILE HG21 H 1 0.672 0.05 . 1 . . . . . . . . 4284 1 1309 . 1 1 125 125 ILE HG22 H 1 0.672 0.05 . 1 . . . . . . . . 4284 1 1310 . 1 1 125 125 ILE HG23 H 1 0.672 0.05 . 1 . . . . . . . . 4284 1 1311 . 1 1 125 125 ILE HG13 H 1 1.310 0.05 . 2 . . . . . . . . 4284 1 1312 . 1 1 125 125 ILE HG12 H 1 1.500 0.05 . 2 . . . . . . . . 4284 1 1313 . 1 1 125 125 ILE HB H 1 2.130 0.05 . 1 . . . . . . . . 4284 1 1314 . 1 1 125 125 ILE HA H 1 3.630 0.05 . 1 . . . . . . . . 4284 1 1315 . 1 1 125 125 ILE H H 1 7.991 0.05 . 1 . . . . . . . . 4284 1 1316 . 1 1 126 126 ARG CA C 13 59.457 0.1 . 1 . . . . . . . . 4284 1 1317 . 1 1 126 126 ARG C C 13 178.870 0.1 . 1 . . . . . . . . 4284 1 1318 . 1 1 126 126 ARG CB C 13 29.895 0.1 . 1 . . . . . . . . 4284 1 1319 . 1 1 126 126 ARG CG C 13 27.703 0.1 . 1 . . . . . . . . 4284 1 1320 . 1 1 126 126 ARG CD C 13 43.301 0.1 . 1 . . . . . . . . 4284 1 1321 . 1 1 126 126 ARG N N 15 117.804 0.05 . 1 . . . . . . . . 4284 1 1322 . 1 1 126 126 ARG HD3 H 1 3.220 0.05 . 1 . . . . . . . . 4284 1 1323 . 1 1 126 126 ARG HD2 H 1 3.220 0.05 . 1 . . . . . . . . 4284 1 1324 . 1 1 126 126 ARG HG3 H 1 1.570 0.05 . 1 . . . . . . . . 4284 1 1325 . 1 1 126 126 ARG HG2 H 1 1.570 0.05 . 1 . . . . . . . . 4284 1 1326 . 1 1 126 126 ARG HB3 H 1 1.800 0.05 . 1 . . . . . . . . 4284 1 1327 . 1 1 126 126 ARG HB2 H 1 1.800 0.05 . 1 . . . . . . . . 4284 1 1328 . 1 1 126 126 ARG HA H 1 3.940 0.05 . 1 . . . . . . . . 4284 1 1329 . 1 1 126 126 ARG H H 1 8.558 0.05 . 1 . . . . . . . . 4284 1 1330 . 1 1 127 127 GLU CA C 13 58.067 0.1 . 1 . . . . . . . . 4284 1 1331 . 1 1 127 127 GLU C C 13 176.280 0.1 . 1 . . . . . . . . 4284 1 1332 . 1 1 127 127 GLU CB C 13 29.646 0.1 . 1 . . . . . . . . 4284 1 1333 . 1 1 127 127 GLU CG C 13 35.242 0.1 . 1 . . . . . . . . 4284 1 1334 . 1 1 127 127 GLU N N 15 115.002 0.05 . 1 . . . . . . . . 4284 1 1335 . 1 1 127 127 GLU HG3 H 1 2.280 0.05 . 1 . . . . . . . . 4284 1 1336 . 1 1 127 127 GLU HG2 H 1 2.280 0.05 . 1 . . . . . . . . 4284 1 1337 . 1 1 127 127 GLU HB3 H 1 2.060 0.05 . 1 . . . . . . . . 4284 1 1338 . 1 1 127 127 GLU HB2 H 1 2.060 0.05 . 1 . . . . . . . . 4284 1 1339 . 1 1 127 127 GLU HA H 1 3.930 0.05 . 1 . . . . . . . . 4284 1 1340 . 1 1 127 127 GLU H H 1 7.784 0.05 . 1 . . . . . . . . 4284 1 1341 . 1 1 128 128 ALA CA C 13 51.427 0.1 . 1 . . . . . . . . 4284 1 1342 . 1 1 128 128 ALA C C 13 177.680 0.1 . 1 . . . . . . . . 4284 1 1343 . 1 1 128 128 ALA CB C 13 21.725 0.1 . 1 . . . . . . . . 4284 1 1344 . 1 1 128 128 ALA N N 15 115.779 0.05 . 1 . . . . . . . . 4284 1 1345 . 1 1 128 128 ALA HB1 H 1 1.140 0.05 . 1 . . . . . . . . 4284 1 1346 . 1 1 128 128 ALA HB2 H 1 1.140 0.05 . 1 . . . . . . . . 4284 1 1347 . 1 1 128 128 ALA HB3 H 1 1.140 0.05 . 1 . . . . . . . . 4284 1 1348 . 1 1 128 128 ALA HA H 1 4.370 0.05 . 1 . . . . . . . . 4284 1 1349 . 1 1 128 128 ALA H H 1 6.994 0.05 . 1 . . . . . . . . 4284 1 1350 . 1 1 129 129 ASP CA C 13 54.158 0.1 . 1 . . . . . . . . 4284 1 1351 . 1 1 129 129 ASP C C 13 175.730 0.1 . 1 . . . . . . . . 4284 1 1352 . 1 1 129 129 ASP CB C 13 39.876 0.1 . 1 . . . . . . . . 4284 1 1353 . 1 1 129 129 ASP N N 15 116.908 0.05 . 1 . . . . . . . . 4284 1 1354 . 1 1 129 129 ASP HB3 H 1 2.410 0.05 . 2 . . . . . . . . 4284 1 1355 . 1 1 129 129 ASP HB2 H 1 2.730 0.05 . 2 . . . . . . . . 4284 1 1356 . 1 1 129 129 ASP HA H 1 4.380 0.05 . 1 . . . . . . . . 4284 1 1357 . 1 1 129 129 ASP H H 1 8.222 0.05 . 1 . . . . . . . . 4284 1 1358 . 1 1 130 130 ILE CA C 13 63.097 0.1 . 1 . . . . . . . . 4284 1 1359 . 1 1 130 130 ILE C C 13 177.680 0.1 . 1 . . . . . . . . 4284 1 1360 . 1 1 130 130 ILE CB C 13 38.707 0.1 . 1 . . . . . . . . 4284 1 1361 . 1 1 130 130 ILE CG1 C 13 27.443 0.1 . 1 . . . . . . . . 4284 1 1362 . 1 1 130 130 ILE CG2 C 13 17.044 0.1 . 1 . . . . . . . . 4284 1 1363 . 1 1 130 130 ILE N N 15 127.534 0.05 . 1 . . . . . . . . 4284 1 1364 . 1 1 130 130 ILE HD11 H 1 0.795 0.05 . 1 . . . . . . . . 4284 1 1365 . 1 1 130 130 ILE HD12 H 1 0.795 0.05 . 1 . . . . . . . . 4284 1 1366 . 1 1 130 130 ILE HD13 H 1 0.795 0.05 . 1 . . . . . . . . 4284 1 1367 . 1 1 130 130 ILE HG21 H 1 1.160 0.05 . 1 . . . . . . . . 4284 1 1368 . 1 1 130 130 ILE HG22 H 1 1.160 0.05 . 1 . . . . . . . . 4284 1 1369 . 1 1 130 130 ILE HG23 H 1 1.160 0.05 . 1 . . . . . . . . 4284 1 1370 . 1 1 130 130 ILE HG13 H 1 1.590 0.05 . 1 . . . . . . . . 4284 1 1371 . 1 1 130 130 ILE HG12 H 1 1.590 0.05 . 1 . . . . . . . . 4284 1 1372 . 1 1 130 130 ILE HB H 1 1.870 0.05 . 1 . . . . . . . . 4284 1 1373 . 1 1 130 130 ILE HA H 1 3.870 0.05 . 1 . . . . . . . . 4284 1 1374 . 1 1 130 130 ILE H H 1 8.287 0.05 . 1 . . . . . . . . 4284 1 1375 . 1 1 131 131 ASP CA C 13 53.889 0.1 . 1 . . . . . . . . 4284 1 1376 . 1 1 131 131 ASP C C 13 178.190 0.1 . 1 . . . . . . . . 4284 1 1377 . 1 1 131 131 ASP CB C 13 39.585 0.1 . 1 . . . . . . . . 4284 1 1378 . 1 1 131 131 ASP N N 15 116.362 0.05 . 1 . . . . . . . . 4284 1 1379 . 1 1 131 131 ASP HB3 H 1 2.570 0.05 . 2 . . . . . . . . 4284 1 1380 . 1 1 131 131 ASP HB2 H 1 2.980 0.05 . 2 . . . . . . . . 4284 1 1381 . 1 1 131 131 ASP HA H 1 4.420 0.05 . 1 . . . . . . . . 4284 1 1382 . 1 1 131 131 ASP H H 1 8.226 0.05 . 1 . . . . . . . . 4284 1 1383 . 1 1 132 132 GLY CA C 13 47.318 0.1 . 1 . . . . . . . . 4284 1 1384 . 1 1 132 132 GLY C C 13 175.120 0.1 . 1 . . . . . . . . 4284 1 1385 . 1 1 132 132 GLY N N 15 107.942 0.05 . 1 . . . . . . . . 4284 1 1386 . 1 1 132 132 GLY HA3 H 1 3.730 0.05 . 2 . . . . . . . . 4284 1 1387 . 1 1 132 132 GLY HA2 H 1 3.910 0.05 . 2 . . . . . . . . 4284 1 1388 . 1 1 132 132 GLY H H 1 7.569 0.05 . 1 . . . . . . . . 4284 1 1389 . 1 1 133 133 ASP CA C 13 53.536 0.1 . 1 . . . . . . . . 4284 1 1390 . 1 1 133 133 ASP C C 13 177.480 0.1 . 1 . . . . . . . . 4284 1 1391 . 1 1 133 133 ASP CB C 13 39.908 0.1 . 1 . . . . . . . . 4284 1 1392 . 1 1 133 133 ASP N N 15 120.090 0.05 . 1 . . . . . . . . 4284 1 1393 . 1 1 133 133 ASP HB3 H 1 2.430 0.05 . 2 . . . . . . . . 4284 1 1394 . 1 1 133 133 ASP HB2 H 1 2.890 0.05 . 2 . . . . . . . . 4284 1 1395 . 1 1 133 133 ASP HA H 1 4.400 0.05 . 1 . . . . . . . . 4284 1 1396 . 1 1 133 133 ASP H H 1 8.253 0.05 . 1 . . . . . . . . 4284 1 1397 . 1 1 134 134 GLY CA C 13 45.695 0.1 . 1 . . . . . . . . 4284 1 1398 . 1 1 134 134 GLY C C 13 172.580 0.1 . 1 . . . . . . . . 4284 1 1399 . 1 1 134 134 GLY N N 15 111.850 0.05 . 1 . . . . . . . . 4284 1 1400 . 1 1 134 134 GLY HA3 H 1 3.330 0.05 . 2 . . . . . . . . 4284 1 1401 . 1 1 134 134 GLY HA2 H 1 3.960 0.05 . 2 . . . . . . . . 4284 1 1402 . 1 1 134 134 GLY H H 1 10.047 0.05 . 1 . . . . . . . . 4284 1 1403 . 1 1 135 135 GLN CA C 13 53.055 0.1 . 1 . . . . . . . . 4284 1 1404 . 1 1 135 135 GLN C C 13 175.060 0.1 . 1 . . . . . . . . 4284 1 1405 . 1 1 135 135 GLN CB C 13 32.490 0.1 . 1 . . . . . . . . 4284 1 1406 . 1 1 135 135 GLN CG C 13 32.490 0.1 . 1 . . . . . . . . 4284 1 1407 . 1 1 135 135 GLN N N 15 114.774 0.05 . 1 . . . . . . . . 4284 1 1408 . 1 1 135 135 GLN HE22 H 1 6.437 0.05 . 1 . . . . . . . . 4284 1 1409 . 1 1 135 135 GLN HE21 H 1 5.900 0.05 . 1 . . . . . . . . 4284 1 1410 . 1 1 135 135 GLN HG3 H 1 1.930 0.05 . 1 . . . . . . . . 4284 1 1411 . 1 1 135 135 GLN HG2 H 1 1.930 0.05 . 1 . . . . . . . . 4284 1 1412 . 1 1 135 135 GLN HB3 H 1 1.710 0.05 . 2 . . . . . . . . 4284 1 1413 . 1 1 135 135 GLN HB2 H 1 1.930 0.05 . 2 . . . . . . . . 4284 1 1414 . 1 1 135 135 GLN HA H 1 4.930 0.05 . 1 . . . . . . . . 4284 1 1415 . 1 1 135 135 GLN H H 1 7.952 0.05 . 1 . . . . . . . . 4284 1 1416 . 1 1 136 136 VAL CA C 13 61.523 0.1 . 1 . . . . . . . . 4284 1 1417 . 1 1 136 136 VAL C C 13 175.670 0.1 . 1 . . . . . . . . 4284 1 1418 . 1 1 136 136 VAL CB C 13 33.208 0.1 . 1 . . . . . . . . 4284 1 1419 . 1 1 136 136 VAL CG1 C 13 21.724 0.1 . 1 . . . . . . . . 4284 1 1420 . 1 1 136 136 VAL CG2 C 13 21.724 0.1 . 1 . . . . . . . . 4284 1 1421 . 1 1 136 136 VAL N N 15 124.739 0.05 . 1 . . . . . . . . 4284 1 1422 . 1 1 136 136 VAL HG21 H 1 0.991 0.05 . 1 . . . . . . . . 4284 1 1423 . 1 1 136 136 VAL HG22 H 1 0.991 0.05 . 1 . . . . . . . . 4284 1 1424 . 1 1 136 136 VAL HG23 H 1 0.991 0.05 . 1 . . . . . . . . 4284 1 1425 . 1 1 136 136 VAL HG11 H 1 0.991 0.05 . 1 . . . . . . . . 4284 1 1426 . 1 1 136 136 VAL HG12 H 1 0.991 0.05 . 1 . . . . . . . . 4284 1 1427 . 1 1 136 136 VAL HG13 H 1 0.991 0.05 . 1 . . . . . . . . 4284 1 1428 . 1 1 136 136 VAL HB H 1 2.280 0.05 . 1 . . . . . . . . 4284 1 1429 . 1 1 136 136 VAL HA H 1 5.100 0.05 . 1 . . . . . . . . 4284 1 1430 . 1 1 136 136 VAL H H 1 9.039 0.05 . 1 . . . . . . . . 4284 1 1431 . 1 1 137 137 ASN CA C 13 50.883 0.1 . 1 . . . . . . . . 4284 1 1432 . 1 1 137 137 ASN C C 13 174.690 0.1 . 1 . . . . . . . . 4284 1 1433 . 1 1 137 137 ASN CB C 13 38.214 0.1 . 1 . . . . . . . . 4284 1 1434 . 1 1 137 137 ASN ND2 N 15 110.672 0.05 . 1 . . . . . . . . 4284 1 1435 . 1 1 137 137 ASN N N 15 128.576 0.05 . 1 . . . . . . . . 4284 1 1436 . 1 1 137 137 ASN HD22 H 1 7.361 0.05 . 1 . . . . . . . . 4284 1 1437 . 1 1 137 137 ASN HD21 H 1 6.640 0.05 . 1 . . . . . . . . 4284 1 1438 . 1 1 137 137 ASN HB3 H 1 2.820 0.05 . 2 . . . . . . . . 4284 1 1439 . 1 1 137 137 ASN HB2 H 1 3.100 0.05 . 2 . . . . . . . . 4284 1 1440 . 1 1 137 137 ASN HA H 1 5.280 0.05 . 1 . . . . . . . . 4284 1 1441 . 1 1 137 137 ASN H H 1 9.446 0.05 . 1 . . . . . . . . 4284 1 1442 . 1 1 138 138 TYR CA C 13 62.226 0.1 . 1 . . . . . . . . 4284 1 1443 . 1 1 138 138 TYR C C 13 175.950 0.1 . 1 . . . . . . . . 4284 1 1444 . 1 1 138 138 TYR CB C 13 37.619 0.1 . 1 . . . . . . . . 4284 1 1445 . 1 1 138 138 TYR CD1 C 13 133.351 0.1 . 1 . . . . . . . . 4284 1 1446 . 1 1 138 138 TYR CE1 C 13 118.612 0.1 . 1 . . . . . . . . 4284 1 1447 . 1 1 138 138 TYR CE2 C 13 118.612 0.1 . 1 . . . . . . . . 4284 1 1448 . 1 1 138 138 TYR CD2 C 13 133.351 0.1 . 1 . . . . . . . . 4284 1 1449 . 1 1 138 138 TYR N N 15 118.140 0.05 . 1 . . . . . . . . 4284 1 1450 . 1 1 138 138 TYR HD2 H 1 6.140 0.05 . 1 . . . . . . . . 4284 1 1451 . 1 1 138 138 TYR HE2 H 1 6.369 0.05 . 1 . . . . . . . . 4284 1 1452 . 1 1 138 138 TYR HE1 H 1 6.369 0.05 . 1 . . . . . . . . 4284 1 1453 . 1 1 138 138 TYR HD1 H 1 6.140 0.05 . 1 . . . . . . . . 4284 1 1454 . 1 1 138 138 TYR HB3 H 1 1.942 0.05 . 2 . . . . . . . . 4284 1 1455 . 1 1 138 138 TYR HB2 H 1 2.285 0.05 . 2 . . . . . . . . 4284 1 1456 . 1 1 138 138 TYR HA H 1 3.141 0.05 . 1 . . . . . . . . 4284 1 1457 . 1 1 138 138 TYR H H 1 8.227 0.05 . 1 . . . . . . . . 4284 1 1458 . 1 1 139 139 GLU CA C 13 60.108 0.1 . 1 . . . . . . . . 4284 1 1459 . 1 1 139 139 GLU C C 13 180.250 0.1 . 1 . . . . . . . . 4284 1 1460 . 1 1 139 139 GLU CB C 13 28.546 0.1 . 1 . . . . . . . . 4284 1 1461 . 1 1 139 139 GLU CG C 13 36.542 0.1 . 1 . . . . . . . . 4284 1 1462 . 1 1 139 139 GLU N N 15 117.825 0.05 . 1 . . . . . . . . 4284 1 1463 . 1 1 139 139 GLU HG3 H 1 2.220 0.05 . 1 . . . . . . . . 4284 1 1464 . 1 1 139 139 GLU HG2 H 1 2.220 0.05 . 1 . . . . . . . . 4284 1 1465 . 1 1 139 139 GLU HB3 H 1 1.850 0.05 . 2 . . . . . . . . 4284 1 1466 . 1 1 139 139 GLU HB2 H 1 1.940 0.05 . 2 . . . . . . . . 4284 1 1467 . 1 1 139 139 GLU HA H 1 3.530 0.05 . 1 . . . . . . . . 4284 1 1468 . 1 1 139 139 GLU H H 1 7.957 0.05 . 1 . . . . . . . . 4284 1 1469 . 1 1 140 140 GLU CA C 13 58.683 0.1 . 1 . . . . . . . . 4284 1 1470 . 1 1 140 140 GLU C C 13 179.220 0.1 . 1 . . . . . . . . 4284 1 1471 . 1 1 140 140 GLU CB C 13 28.736 0.1 . 1 . . . . . . . . 4284 1 1472 . 1 1 140 140 GLU CG C 13 36.802 0.1 . 1 . . . . . . . . 4284 1 1473 . 1 1 140 140 GLU N N 15 119.137 0.05 . 1 . . . . . . . . 4284 1 1474 . 1 1 140 140 GLU HG3 H 1 2.210 0.05 . 1 . . . . . . . . 4284 1 1475 . 1 1 140 140 GLU HG2 H 1 2.210 0.05 . 1 . . . . . . . . 4284 1 1476 . 1 1 140 140 GLU HB3 H 1 1.900 0.05 . 1 . . . . . . . . 4284 1 1477 . 1 1 140 140 GLU HB2 H 1 1.900 0.05 . 1 . . . . . . . . 4284 1 1478 . 1 1 140 140 GLU HA H 1 3.780 0.05 . 1 . . . . . . . . 4284 1 1479 . 1 1 140 140 GLU H H 1 8.578 0.05 . 1 . . . . . . . . 4284 1 1480 . 1 1 141 141 PHE CA C 13 61.901 0.1 . 1 . . . . . . . . 4284 1 1481 . 1 1 141 141 PHE C C 13 176.420 0.1 . 1 . . . . . . . . 4284 1 1482 . 1 1 141 141 PHE CB C 13 39.964 0.1 . 1 . . . . . . . . 4284 1 1483 . 1 1 141 141 PHE N N 15 123.219 0.05 . 1 . . . . . . . . 4284 1 1484 . 1 1 141 141 PHE HD2 H 1 6.530 0.05 . 1 . . . . . . . . 4284 1 1485 . 1 1 141 141 PHE HE2 H 1 7.070 0.05 . 1 . . . . . . . . 4284 1 1486 . 1 1 141 141 PHE HE1 H 1 7.070 0.05 . 1 . . . . . . . . 4284 1 1487 . 1 1 141 141 PHE HD1 H 1 6.530 0.05 . 1 . . . . . . . . 4284 1 1488 . 1 1 141 141 PHE HB3 H 1 2.820 0.05 . 2 . . . . . . . . 4284 1 1489 . 1 1 141 141 PHE HB2 H 1 3.070 0.05 . 2 . . . . . . . . 4284 1 1490 . 1 1 141 141 PHE HA H 1 3.148 0.05 . 1 . . . . . . . . 4284 1 1491 . 1 1 141 141 PHE H H 1 8.442 0.05 . 1 . . . . . . . . 4284 1 1492 . 1 1 142 142 VAL CA C 13 66.714 0.1 . 1 . . . . . . . . 4284 1 1493 . 1 1 142 142 VAL CB C 13 31.019 0.1 . 1 . . . . . . . . 4284 1 1494 . 1 1 142 142 VAL N N 15 118.254 0.05 . 1 . . . . . . . . 4284 1 1495 . 1 1 142 142 VAL HG21 H 1 0.343 0.05 . 2 . . . . . . . . 4284 1 1496 . 1 1 142 142 VAL HG22 H 1 0.343 0.05 . 2 . . . . . . . . 4284 1 1497 . 1 1 142 142 VAL HG23 H 1 0.343 0.05 . 2 . . . . . . . . 4284 1 1498 . 1 1 142 142 VAL HG11 H 1 0.616 0.05 . 2 . . . . . . . . 4284 1 1499 . 1 1 142 142 VAL HG12 H 1 0.616 0.05 . 2 . . . . . . . . 4284 1 1500 . 1 1 142 142 VAL HG13 H 1 0.616 0.05 . 2 . . . . . . . . 4284 1 1501 . 1 1 142 142 VAL HB H 1 1.630 0.05 . 1 . . . . . . . . 4284 1 1502 . 1 1 142 142 VAL HA H 1 3.000 0.05 . 1 . . . . . . . . 4284 1 1503 . 1 1 142 142 VAL H H 1 8.534 0.05 . 1 . . . . . . . . 4284 1 1504 . 1 1 143 143 GLN CA C 13 58.639 0.1 . 1 . . . . . . . . 4284 1 1505 . 1 1 143 143 GLN C C 13 177.760 0.1 . 1 . . . . . . . . 4284 1 1506 . 1 1 143 143 GLN CB C 13 27.703 0.1 . 1 . . . . . . . . 4284 1 1507 . 1 1 143 143 GLN CG C 13 33.682 0.1 . 1 . . . . . . . . 4284 1 1508 . 1 1 143 143 GLN HG3 H 1 2.284 0.05 . 1 . . . . . . . . 4284 1 1509 . 1 1 143 143 GLN HG2 H 1 2.284 0.05 . 1 . . . . . . . . 4284 1 1510 . 1 1 143 143 GLN HB3 H 1 1.915 0.05 . 1 . . . . . . . . 4284 1 1511 . 1 1 143 143 GLN HB2 H 1 1.915 0.05 . 1 . . . . . . . . 4284 1 1512 . 1 1 143 143 GLN HA H 1 3.713 0.05 . 1 . . . . . . . . 4284 1 1513 . 1 1 144 144 MET CA C 13 57.204 0.1 . 1 . . . . . . . . 4284 1 1514 . 1 1 144 144 MET C C 13 177.430 0.1 . 1 . . . . . . . . 4284 1 1515 . 1 1 144 144 MET CB C 13 30.770 0.1 . 1 . . . . . . . . 4284 1 1516 . 1 1 144 144 MET CG C 13 30.546 0.1 . 1 . . . . . . . . 4284 1 1517 . 1 1 144 144 MET CE C 13 15.952 0.1 . 1 . . . . . . . . 4284 1 1518 . 1 1 144 144 MET N N 15 117.527 0.05 . 1 . . . . . . . . 4284 1 1519 . 1 1 144 144 MET HE1 H 1 1.037 0.05 . 1 . . . . . . . . 4284 1 1520 . 1 1 144 144 MET HE2 H 1 1.037 0.05 . 1 . . . . . . . . 4284 1 1521 . 1 1 144 144 MET HE3 H 1 1.037 0.05 . 1 . . . . . . . . 4284 1 1522 . 1 1 144 144 MET HB3 H 1 1.600 0.05 . 1 . . . . . . . . 4284 1 1523 . 1 1 144 144 MET HB2 H 1 1.600 0.05 . 1 . . . . . . . . 4284 1 1524 . 1 1 144 144 MET HA H 1 4.060 0.05 . 1 . . . . . . . . 4284 1 1525 . 1 1 144 144 MET H H 1 7.320 0.05 . 1 . . . . . . . . 4284 1 1526 . 1 1 145 145 MET CA C 13 57.013 0.1 . 1 . . . . . . . . 4284 1 1527 . 1 1 145 145 MET C C 13 177.440 0.1 . 1 . . . . . . . . 4284 1 1528 . 1 1 145 145 MET CB C 13 31.108 0.1 . 1 . . . . . . . . 4284 1 1529 . 1 1 145 145 MET CG C 13 31.097 0.1 . 1 . . . . . . . . 4284 1 1530 . 1 1 145 145 MET CE C 13 17.536 0.1 . 1 . . . . . . . . 4284 1 1531 . 1 1 145 145 MET N N 15 113.501 0.05 . 1 . . . . . . . . 4284 1 1532 . 1 1 145 145 MET HE1 H 1 1.561 0.05 . 1 . . . . . . . . 4284 1 1533 . 1 1 145 145 MET HE2 H 1 1.561 0.05 . 1 . . . . . . . . 4284 1 1534 . 1 1 145 145 MET HE3 H 1 1.561 0.05 . 1 . . . . . . . . 4284 1 1535 . 1 1 145 145 MET HB3 H 1 1.700 0.05 . 1 . . . . . . . . 4284 1 1536 . 1 1 145 145 MET HB2 H 1 1.700 0.05 . 1 . . . . . . . . 4284 1 1537 . 1 1 145 145 MET HA H 1 4.050 0.05 . 1 . . . . . . . . 4284 1 1538 . 1 1 145 145 MET H H 1 7.519 0.05 . 1 . . . . . . . . 4284 1 1539 . 1 1 146 146 THR CA C 13 61.952 0.1 . 1 . . . . . . . . 4284 1 1540 . 1 1 146 146 THR C C 13 174.060 0.1 . 1 . . . . . . . . 4284 1 1541 . 1 1 146 146 THR CB C 13 70.084 0.1 . 1 . . . . . . . . 4284 1 1542 . 1 1 146 146 THR N N 15 108.316 0.05 . 1 . . . . . . . . 4284 1 1543 . 1 1 146 146 THR HG21 H 1 1.060 0.05 . 1 . . . . . . . . 4284 1 1544 . 1 1 146 146 THR HG22 H 1 1.060 0.05 . 1 . . . . . . . . 4284 1 1545 . 1 1 146 146 THR HG23 H 1 1.060 0.05 . 1 . . . . . . . . 4284 1 1546 . 1 1 146 146 THR HB H 1 4.220 0.05 . 1 . . . . . . . . 4284 1 1547 . 1 1 146 146 THR HA H 1 4.220 0.05 . 1 . . . . . . . . 4284 1 1548 . 1 1 146 146 THR H H 1 7.480 0.05 . 1 . . . . . . . . 4284 1 1549 . 1 1 147 147 ALA CA C 13 52.711 0.1 . 1 . . . . . . . . 4284 1 1550 . 1 1 147 147 ALA C C 13 176.350 0.1 . 1 . . . . . . . . 4284 1 1551 . 1 1 147 147 ALA CB C 13 18.575 0.1 . 1 . . . . . . . . 4284 1 1552 . 1 1 147 147 ALA N N 15 125.837 0.05 . 1 . . . . . . . . 4284 1 1553 . 1 1 147 147 ALA HB1 H 1 1.350 0.05 . 1 . . . . . . . . 4284 1 1554 . 1 1 147 147 ALA HB2 H 1 1.350 0.05 . 1 . . . . . . . . 4284 1 1555 . 1 1 147 147 ALA HB3 H 1 1.350 0.05 . 1 . . . . . . . . 4284 1 1556 . 1 1 147 147 ALA HA H 1 4.230 0.05 . 1 . . . . . . . . 4284 1 1557 . 1 1 147 147 ALA H H 1 7.465 0.05 . 1 . . . . . . . . 4284 1 1558 . 1 1 148 148 LYS CA C 13 57.451 0.1 . 1 . . . . . . . . 4284 1 1559 . 1 1 148 148 LYS CB C 13 33.389 0.1 . 1 . . . . . . . . 4284 1 1560 . 1 1 148 148 LYS N N 15 125.094 0.05 . 1 . . . . . . . . 4284 1 1561 . 1 1 148 148 LYS HE3 H 1 2.800 0.05 . 1 . . . . . . . . 4284 1 1562 . 1 1 148 148 LYS HE2 H 1 2.800 0.05 . 1 . . . . . . . . 4284 1 1563 . 1 1 148 148 LYS HD3 H 1 1.640 0.05 . 1 . . . . . . . . 4284 1 1564 . 1 1 148 148 LYS HD2 H 1 1.640 0.05 . 1 . . . . . . . . 4284 1 1565 . 1 1 148 148 LYS HG3 H 1 1.290 0.05 . 1 . . . . . . . . 4284 1 1566 . 1 1 148 148 LYS HG2 H 1 1.290 0.05 . 1 . . . . . . . . 4284 1 1567 . 1 1 148 148 LYS HB3 H 1 1.510 0.05 . 1 . . . . . . . . 4284 1 1568 . 1 1 148 148 LYS HB2 H 1 1.510 0.05 . 1 . . . . . . . . 4284 1 1569 . 1 1 148 148 LYS HA H 1 3.950 0.05 . 1 . . . . . . . . 4284 1 1570 . 1 1 148 148 LYS H H 1 7.612 0.05 . 1 . . . . . . . . 4284 1 stop_ save_ save_assigned_chemical_shifts_two _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two _Assigned_chem_shift_list.Entry_ID 4284 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4284 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 4 4 GLY H H 1 7.84 0.05 . 1 . . . . . . . . 4284 2 2 . 2 2 4 4 GLY HA2 H 1 4.06 0.05 . 2 . . . . . . . . 4284 2 3 . 2 2 4 4 GLY HA3 H 1 3.56 0.05 . 2 . . . . . . . . 4284 2 4 . 2 2 5 5 GLN H H 1 8.00 0.05 . 1 . . . . . . . . 4284 2 5 . 2 2 5 5 GLN HA H 1 4.03 0.05 . 1 . . . . . . . . 4284 2 6 . 2 2 5 5 GLN HG2 H 1 2.05 0.05 . 2 . . . . . . . . 4284 2 7 . 2 2 5 5 GLN HG3 H 1 1.99 0.05 . 2 . . . . . . . . 4284 2 8 . 2 2 5 5 GLN HE21 H 1 7.58 0.05 . 1 . . . . . . . . 4284 2 9 . 2 2 5 5 GLN HE22 H 1 6.72 0.05 . 1 . . . . . . . . 4284 2 10 . 2 2 6 6 ILE H H 1 7.70 0.05 . 1 . . . . . . . . 4284 2 11 . 2 2 6 6 ILE HA H 1 3.73 0.05 . 1 . . . . . . . . 4284 2 12 . 2 2 6 6 ILE HB H 1 1.84 0.05 . 1 . . . . . . . . 4284 2 13 . 2 2 6 6 ILE HG12 H 1 1.57 0.05 . 1 . . . . . . . . 4284 2 14 . 2 2 6 6 ILE HG13 H 1 1.57 0.05 . 1 . . . . . . . . 4284 2 15 . 2 2 6 6 ILE HG21 H 1 0.76 0.05 . 1 . . . . . . . . 4284 2 16 . 2 2 6 6 ILE HG22 H 1 0.76 0.05 . 1 . . . . . . . . 4284 2 17 . 2 2 6 6 ILE HG23 H 1 0.76 0.05 . 1 . . . . . . . . 4284 2 18 . 2 2 6 6 ILE HD11 H 1 0.57 0.05 . 1 . . . . . . . . 4284 2 19 . 2 2 6 6 ILE HD12 H 1 0.57 0.05 . 1 . . . . . . . . 4284 2 20 . 2 2 6 6 ILE HD13 H 1 0.57 0.05 . 1 . . . . . . . . 4284 2 21 . 2 2 7 7 LEU H H 1 7.52 0.05 . 1 . . . . . . . . 4284 2 22 . 2 2 7 7 LEU HA H 1 4.03 0.05 . 1 . . . . . . . . 4284 2 23 . 2 2 7 7 LEU HB2 H 1 1.59 0.05 . 2 . . . . . . . . 4284 2 24 . 2 2 7 7 LEU HB3 H 1 1.40 0.05 . 2 . . . . . . . . 4284 2 25 . 2 2 7 7 LEU HD21 H 1 0.59 0.05 . 1 . . . . . . . . 4284 2 26 . 2 2 7 7 LEU HD22 H 1 0.59 0.05 . 1 . . . . . . . . 4284 2 27 . 2 2 7 7 LEU HD23 H 1 0.59 0.05 . 1 . . . . . . . . 4284 2 28 . 2 2 8 8 TRP H H 1 8.06 0.05 . 1 . . . . . . . . 4284 2 29 . 2 2 8 8 TRP HA H 1 4.29 0.05 . 1 . . . . . . . . 4284 2 30 . 2 2 8 8 TRP HB2 H 1 3.49 0.05 . 2 . . . . . . . . 4284 2 31 . 2 2 8 8 TRP HB3 H 1 3.08 0.05 . 2 . . . . . . . . 4284 2 32 . 2 2 8 8 TRP HD1 H 1 7.10 0.05 . 1 . . . . . . . . 4284 2 33 . 2 2 8 8 TRP HE1 H 1 10.23 0.05 . 1 . . . . . . . . 4284 2 34 . 2 2 8 8 TRP HE3 H 1 7.04 0.05 . 1 . . . . . . . . 4284 2 35 . 2 2 8 8 TRP HZ2 H 1 6.76 0.05 . 1 . . . . . . . . 4284 2 36 . 2 2 8 8 TRP HZ3 H 1 5.76 0.05 . 1 . . . . . . . . 4284 2 37 . 2 2 8 8 TRP HH2 H 1 6.51 0.05 . 1 . . . . . . . . 4284 2 38 . 2 2 9 9 PHE H H 1 8.45 0.05 . 1 . . . . . . . . 4284 2 39 . 2 2 9 9 PHE HA H 1 4.02 0.05 . 1 . . . . . . . . 4284 2 40 . 2 2 9 9 PHE HB2 H 1 3.07 0.05 . 2 . . . . . . . . 4284 2 41 . 2 2 9 9 PHE HB3 H 1 2.97 0.05 . 2 . . . . . . . . 4284 2 42 . 2 2 9 9 PHE HD1 H 1 7.09 0.05 . 1 . . . . . . . . 4284 2 43 . 2 2 9 9 PHE HD2 H 1 7.09 0.05 . 1 . . . . . . . . 4284 2 44 . 2 2 9 9 PHE HE1 H 1 7.16 0.05 . 1 . . . . . . . . 4284 2 45 . 2 2 9 9 PHE HE2 H 1 7.16 0.05 . 1 . . . . . . . . 4284 2 46 . 2 2 10 10 ARG H H 1 8.17 0.05 . 1 . . . . . . . . 4284 2 47 . 2 2 10 10 ARG HA H 1 3.62 0.05 . 1 . . . . . . . . 4284 2 48 . 2 2 10 10 ARG HB2 H 1 1.86 0.05 . 1 . . . . . . . . 4284 2 49 . 2 2 10 10 ARG HB3 H 1 1.86 0.05 . 1 . . . . . . . . 4284 2 50 . 2 2 10 10 ARG HG2 H 1 1.74 0.05 . 1 . . . . . . . . 4284 2 51 . 2 2 10 10 ARG HG3 H 1 1.74 0.05 . 1 . . . . . . . . 4284 2 52 . 2 2 11 11 GLY H H 1 8.59 0.05 . 1 . . . . . . . . 4284 2 53 . 2 2 11 11 GLY HA2 H 1 4.06 0.05 . 2 . . . . . . . . 4284 2 54 . 2 2 11 11 GLY HA3 H 1 3.64 0.05 . 2 . . . . . . . . 4284 2 55 . 2 2 12 12 LEU H H 1 8.58 0.05 . 1 . . . . . . . . 4284 2 56 . 2 2 12 12 LEU HA H 1 4.39 0.05 . 1 . . . . . . . . 4284 2 57 . 2 2 12 12 LEU HB2 H 1 1.71 0.05 . 1 . . . . . . . . 4284 2 58 . 2 2 12 12 LEU HB3 H 1 1.71 0.05 . 1 . . . . . . . . 4284 2 59 . 2 2 12 12 LEU HG H 1 1.75 0.05 . 1 . . . . . . . . 4284 2 60 . 2 2 12 12 LEU HD11 H 1 0.79 0.05 . 1 . . . . . . . . 4284 2 61 . 2 2 12 12 LEU HD12 H 1 0.79 0.05 . 1 . . . . . . . . 4284 2 62 . 2 2 12 12 LEU HD13 H 1 0.79 0.05 . 1 . . . . . . . . 4284 2 63 . 2 2 12 12 LEU HD21 H 1 0.92 0.05 . 1 . . . . . . . . 4284 2 64 . 2 2 12 12 LEU HD22 H 1 0.92 0.05 . 1 . . . . . . . . 4284 2 65 . 2 2 12 12 LEU HD23 H 1 0.92 0.05 . 1 . . . . . . . . 4284 2 66 . 2 2 13 13 ASN H H 1 8.21 0.05 . 1 . . . . . . . . 4284 2 67 . 2 2 13 13 ASN HA H 1 4.39 0.05 . 1 . . . . . . . . 4284 2 68 . 2 2 13 13 ASN HB2 H 1 2.77 0.05 . 2 . . . . . . . . 4284 2 69 . 2 2 13 13 ASN HB3 H 1 2.67 0.05 . 2 . . . . . . . . 4284 2 70 . 2 2 13 13 ASN HD21 H 1 6.68 0.05 . 1 . . . . . . . . 4284 2 71 . 2 2 13 13 ASN HD22 H 1 7.47 0.05 . 1 . . . . . . . . 4284 2 72 . 2 2 14 14 ARG H H 1 7.87 0.05 . 1 . . . . . . . . 4284 2 73 . 2 2 14 14 ARG HA H 1 4.05 0.05 . 1 . . . . . . . . 4284 2 74 . 2 2 14 14 ARG HB2 H 1 2.02 0.05 . 2 . . . . . . . . 4284 2 75 . 2 2 14 14 ARG HB3 H 1 1.81 0.05 . 2 . . . . . . . . 4284 2 76 . 2 2 14 14 ARG HG2 H 1 1.70 0.05 . 1 . . . . . . . . 4284 2 77 . 2 2 14 14 ARG HG3 H 1 1.70 0.05 . 1 . . . . . . . . 4284 2 78 . 2 2 14 14 ARG HD2 H 1 3.63 0.05 . 2 . . . . . . . . 4284 2 79 . 2 2 14 14 ARG HD3 H 1 3.55 0.05 . 2 . . . . . . . . 4284 2 80 . 2 2 14 14 ARG HE H 1 7.45 0.05 . 1 . . . . . . . . 4284 2 81 . 2 2 15 15 ILE H H 1 7.64 0.05 . 1 . . . . . . . . 4284 2 82 . 2 2 15 15 ILE HA H 1 4.00 0.05 . 1 . . . . . . . . 4284 2 83 . 2 2 15 15 ILE HB H 1 1.78 0.05 . 1 . . . . . . . . 4284 2 84 . 2 2 15 15 ILE HG12 H 1 1.64 0.05 . 2 . . . . . . . . 4284 2 85 . 2 2 15 15 ILE HG13 H 1 1.55 0.05 . 2 . . . . . . . . 4284 2 86 . 2 2 15 15 ILE HG21 H 1 1.21 0.05 . 1 . . . . . . . . 4284 2 87 . 2 2 15 15 ILE HG22 H 1 1.21 0.05 . 1 . . . . . . . . 4284 2 88 . 2 2 15 15 ILE HG23 H 1 1.21 0.05 . 1 . . . . . . . . 4284 2 89 . 2 2 15 15 ILE HD11 H 1 0.72 0.05 . 1 . . . . . . . . 4284 2 90 . 2 2 15 15 ILE HD12 H 1 0.72 0.05 . 1 . . . . . . . . 4284 2 91 . 2 2 15 15 ILE HD13 H 1 0.72 0.05 . 1 . . . . . . . . 4284 2 92 . 2 2 16 16 GLN H H 1 7.74 0.05 . 1 . . . . . . . . 4284 2 93 . 2 2 16 16 GLN HA H 1 4.20 0.05 . 1 . . . . . . . . 4284 2 94 . 2 2 16 16 GLN HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4284 2 95 . 2 2 16 16 GLN HB3 H 1 1.89 0.05 . 2 . . . . . . . . 4284 2 96 . 2 2 16 16 GLN HG2 H 1 2.25 0.05 . 2 . . . . . . . . 4284 2 97 . 2 2 16 16 GLN HG3 H 1 2.22 0.05 . 2 . . . . . . . . 4284 2 98 . 2 2 16 16 GLN HE21 H 1 6.61 0.05 . 1 . . . . . . . . 4284 2 99 . 2 2 16 16 GLN HE22 H 1 7.28 0.05 . 1 . . . . . . . . 4284 2 100 . 2 2 17 17 THR H H 1 7.72 0.05 . 1 . . . . . . . . 4284 2 101 . 2 2 17 17 THR HA H 1 4.19 0.05 . 1 . . . . . . . . 4284 2 102 . 2 2 17 17 THR HB H 1 4.00 0.05 . 1 . . . . . . . . 4284 2 103 . 2 2 17 17 THR HG21 H 1 0.73 0.05 . 1 . . . . . . . . 4284 2 104 . 2 2 17 17 THR HG22 H 1 0.73 0.05 . 1 . . . . . . . . 4284 2 105 . 2 2 17 17 THR HG23 H 1 0.73 0.05 . 1 . . . . . . . . 4284 2 106 . 2 2 18 18 GLN H H 1 8.01 0.05 . 1 . . . . . . . . 4284 2 107 . 2 2 18 18 GLN HA H 1 3.56 0.05 . 1 . . . . . . . . 4284 2 108 . 2 2 18 18 GLN HB2 H 1 1.89 0.05 . 1 . . . . . . . . 4284 2 109 . 2 2 18 18 GLN HB3 H 1 1.89 0.05 . 1 . . . . . . . . 4284 2 110 . 2 2 18 18 GLN HG2 H 1 2.42 0.05 . 2 . . . . . . . . 4284 2 111 . 2 2 18 18 GLN HG3 H 1 2.29 0.05 . 2 . . . . . . . . 4284 2 112 . 2 2 18 18 GLN HE21 H 1 7.37 0.05 . 1 . . . . . . . . 4284 2 113 . 2 2 18 18 GLN HE22 H 1 6.74 0.05 . 1 . . . . . . . . 4284 2 114 . 2 2 19 19 ILE H H 1 7.60 0.05 . 1 . . . . . . . . 4284 2 115 . 2 2 19 19 ILE HA H 1 4.15 0.05 . 1 . . . . . . . . 4284 2 116 . 2 2 19 19 ILE HB H 1 1.99 0.05 . 1 . . . . . . . . 4284 2 stop_ save_