data_15470 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15470 _Entry.Title ; Resonance assignment of the Calmodulin-Munc13-1 peptide complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-14 _Entry.Accession_date 2007-09-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Sequential 1H, 13C and 15N backbone and side-chain resonance assignment for calmoduliln - Munc13-1 (458-492)peptide complex' _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 Fernando Rodriguez-Castaneda . A. . 15470 2 Teresa Carlomagno . . . 15470 3 Nils Brose . . . 15470 4 Christian Griesinger . . . 15470 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15470 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 666 15470 '15N chemical shifts' 191 15470 '1H chemical shifts' 1105 15470 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 2 . . 2010-05-18 2007-09-14 update BMRB 'complete entry citation' 15470 1 . . 2009-12-21 2007-09-14 original author 'original release' 15470 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 15470 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20013162 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the Calmodulin-Munc13-1 peptide complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 45 _Citation.Page_last 48 _Citation.Year 2009 _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 Fernando Rodriguez-Castaneda . . . 15470 1 2 Nicolas Coudevylle . . . 15470 1 3 Stefan Becker . . . 15470 1 4 Nils Brose . . . 15470 1 5 Teresa Carlomagno . . . 15470 1 6 Christian Griesinger . . . 15470 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID calmodulin 15470 1 Munc13 15470 1 'neurotransmitter release' 15470 1 synaptosome 15470 1 'vesicle priming' 15470 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15470 _Assembly.ID 1 _Assembly.Name Calmodulin-Munc13-1 _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21900 _Assembly.Enzyme_commission_number . _Assembly.Details '[4Ca2+]bound calmodulin complexed with a fragment consisting of residues 458-492 of the diacylglycerol-binding protein Munc13-1' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 calmodulin 1 $calmodulin A . yes native no no 1 'calcium dependent activation of Munc13-1' . 15470 1 2 Munc13-1 2 $Munc13-1_(458-492) B . yes native no no 2 'Calmodulin binding domain of Munc13-1' . 15470 1 3 'Calcium I' 3 $CA C . no native no no . 'calmodulin activation' . 15470 1 4 'Calcium II' 3 $CA C . no native no no . 'calmodulin activation' . 15470 1 5 'Calcium III' 3 $CA C . no native no no . 'calmodulin activation' . 15470 1 6 'Calcium IV' 3 $CA C . no native no no . 'calmodulin activation' . 15470 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CKK . . 'solution NMR' . 'Ca2+ bound calmodulin complexed with a Ca2+/Calmodulin dependent protein kinase fragment' 'Similar molecular assembly system to the one reported in this study' 15470 1 yes PDB 1PRW . . X-ray 1.7 'Compact structure of Ca2+ bound calmodulin' . 15470 1 yes PDB 3CLN . . X-ray 2.2 'sturcture of Ca2+ bound calmodulin' . 15470 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 15470 1 2 1 3 'Slow exchange' 15470 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'potentiation of neurotransmitter release' 15470 1 'presynaptic synaptic plasticity' 15470 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calmodulin _Entity.Sf_category entity _Entity.Sf_framecode calmodulin _Entity.Entry_ID 15470 _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 VDEMIREANIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16700 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Molecular entity ID _ 1' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 yes BMRB 4056 . "Calmodulin-W-7 complex" . . . . . . . . . . . . . . 15470 1 2 yes BMRB 4270 . Calmodulin . . . . . . . . . . . . . . 15470 1 3 yes BMRB 4284 . "Calmodulin-Ca2+-Pump-peptide complex" . . . . . . . . . . . . . . 15470 1 4 yes BMRB 5480 . "Calmodulin-olfactory channel peptide complex" . . . . . . . . . . . . . . 15470 1 5 yes BMRB 5770 . "Ca2+/calmodulin-glutamate decarboxylase peptide comlex" . . . . . . . . . . . . . . 15470 1 6 yes BMRB 6541 . "Ca-bound calmodulin" . . . . . . . . . . . . . . 15470 1 7 yes PDB 1CDL . Calmodulin . . . . . . . . . . . . . . 15470 1 8 yes PDB 1CDM . Calmodulin . . . . . . . . . . . . . . 15470 1 9 yes PDB 1CFF . Calmodulin . . . . . . . . . . . . . . 15470 1 10 yes PDB 1CKK . Calmodulin . . . . . . . . . . . . . . 15470 1 11 yes PDB 1IQ5 . Calmodulin . . . . . . . . . . . . . . 15470 1 12 yes PDB 1MUX . Calmodulin . . . . . . . . . . . . . . 15470 1 13 yes PDB 1PRW . Calmodulin . . . . . . . . . . . . . . 15470 1 14 yes PDB 1UP5 . Calmodulin . . . . . . . . . . . . . . 15470 1 15 yes PDB 2BE6 . Calmodulin . . . . . . . . . . . . . . 15470 1 16 yes PDB 2F3Y . Calmodulin . . . . . . . . . . . . . . 15470 1 17 yes PDB 3CLN . Calmodulin . . . . . . . . . . . . . . 15470 1 18 no BMRB 15184 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 19 no BMRB 15185 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 20 no BMRB 15186 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 21 no BMRB 15187 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 22 no BMRB 15188 . calmodulin . . . . . 100.00 148 98.65 100.00 4.87e-99 . . . . 15470 1 23 no BMRB 15191 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 24 no BMRB 15624 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 25 no BMRB 15650 . calmodulin . . . . . 100.00 148 98.65 100.00 1.22e-98 . . . . 15470 1 26 no BMRB 15852 . calmodulin . . . . . 100.00 148 98.65 100.00 1.22e-98 . . . . 15470 1 27 no BMRB 1634 . calmodulin . . . . . 100.00 148 97.97 99.32 3.22e-98 . . . . 15470 1 28 no BMRB 16418 . apoCaM . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 29 no BMRB 16465 . entity_1 . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 30 no BMRB 1648 . calmodulin . . . . . 100.00 148 97.97 99.32 3.22e-98 . . . . 15470 1 31 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 99.32 100.00 2.15e-99 . . . . 15470 1 32 no BMRB 17264 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 33 no BMRB 17360 . entity_1 . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 34 no BMRB 17771 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 35 no BMRB 17807 . Calmodulin . . . . . 99.32 147 99.32 100.00 8.87e-99 . . . . 15470 1 36 no BMRB 18027 . CaM . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 37 no BMRB 18028 . CaM . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 38 no BMRB 18556 . Calmodulin . . . . . 100.00 148 97.97 99.32 9.29e-98 . . . . 15470 1 39 no BMRB 19036 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 40 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 41 no BMRB 19586 . entity_1 . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 42 no BMRB 19604 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 43 no BMRB 25253 . CaM . . . . . 100.00 148 97.97 99.32 4.68e-97 . . . . 15470 1 44 no BMRB 25257 . CaM . . . . . 100.00 148 97.97 99.32 4.68e-97 . . . . 15470 1 45 no BMRB 26503 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 46 no BMRB 26626 . CaM . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 47 no BMRB 26627 . CaM . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 48 no BMRB 4056 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 49 no BMRB 4270 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 50 no BMRB 4284 . Calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 51 no BMRB 4310 . calmodulin . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 52 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 53 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 54 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 55 no PDB 1CFF . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 56 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 57 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 58 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 59 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 60 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 61 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 100.00 100.00 2.60e-100 . . . . 15470 1 62 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 63 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 64 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 65 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 99.32 100.00 2.01e-99 . . . . 15470 1 66 no PDB 1K93 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 97.30 144 99.31 100.00 1.64e-96 . . . . 15470 1 67 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 68 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 69 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 99.32 100.00 2.19e-99 . . . . 15470 1 70 no PDB 1MUX . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 71 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 97.30 99.32 2.57e-97 . . . . 15470 1 72 no PDB 1NWD . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 73 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 97.30 98.65 5.06e-97 . . . . 15470 1 74 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 100.00 149 98.65 99.32 1.48e-98 . . . . 15470 1 75 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 99.32 100.00 2.01e-99 . . . . 15470 1 76 no PDB 1QIW . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 77 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 78 no PDB 1S26 . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 79 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 99.32 100.00 2.01e-99 . . . . 15470 1 80 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 81 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 100.00 148 98.65 99.32 1.44e-98 . . . . 15470 1 82 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 83 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 84 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 85 no PDB 1XFU . "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" . . . . . 100.00 149 98.65 100.00 5.32e-99 . . . . 15470 1 86 no PDB 1XFV . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 149 98.65 100.00 5.32e-99 . . . . 15470 1 87 no PDB 1XFW . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" . . . . . 100.00 149 98.65 100.00 5.32e-99 . . . . 15470 1 88 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 100.00 149 98.65 100.00 5.32e-99 . . . . 15470 1 89 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 98.65 100.00 5.32e-99 . . . . 15470 1 90 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 97.30 146 99.31 100.00 1.68e-96 . . . . 15470 1 91 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 92 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.30 99.32 2.57e-97 . . . . 15470 1 93 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 97.30 99.32 2.57e-97 . . . . 15470 1 94 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 95 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 96 no PDB 2BKI . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 97 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 98 no PDB 2F2O . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 99.32 100.00 3.53e-99 . . . . 15470 1 99 no PDB 2F2P . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 99.32 100.00 3.53e-99 . . . . 15470 1 100 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 101 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 102 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 103 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 104 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 105 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 106 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 107 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 100.00 148 98.65 100.00 1.22e-98 . . . . 15470 1 108 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 100.00 148 98.65 100.00 1.22e-98 . . . . 15470 1 109 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 99.32 100.00 2.01e-99 . . . . 15470 1 110 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 99.32 100.00 2.01e-99 . . . . 15470 1 111 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 99.32 100.00 2.01e-99 . . . . 15470 1 112 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 113 no PDB 2LGF . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" . . . . . 98.65 146 99.32 100.00 5.32e-98 . . . . 15470 1 114 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 115 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 116 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 97.97 99.32 9.29e-98 . . . . 15470 1 117 no PDB 2M0J . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 118 no PDB 2M0K . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 119 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 120 no PDB 2MG5 . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 121 no PDB 2MGU . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 122 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 123 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 124 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 125 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 126 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 127 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 128 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 99.32 100.00 5.32e-98 . . . . 15470 1 129 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 130 no PDB 2WEL . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" . . . . . 100.00 150 99.32 100.00 1.29e-99 . . . . 15470 1 131 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 132 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 133 no PDB 2Y4V . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 134 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 99.32 100.00 1.37e-99 . . . . 15470 1 135 no PDB 3BXK . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 136 no PDB 3BXL . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 137 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 138 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 100.00 100.00 2.60e-100 . . . . 15470 1 139 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 140 no PDB 3DVJ . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 141 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 142 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 143 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 99.32 100.00 4.13e-95 . . . . 15470 1 144 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 99.32 100.00 4.13e-95 . . . . 15470 1 145 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 99.32 100.00 4.22e-95 . . . . 15470 1 146 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 99.32 449 98.64 99.32 3.63e-94 . . . . 15470 1 147 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 99.32 100.00 4.13e-95 . . . . 15470 1 148 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 99.32 100.00 4.13e-95 . . . . 15470 1 149 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 8.61e-100 . . . . 15470 1 150 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 99.32 100.00 8.61e-100 . . . . 15470 1 151 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 152 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 153 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 154 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 155 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 156 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 157 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 158 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 99.32 100.00 1.94e-95 . . . . 15470 1 159 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 99.32 100.00 1.94e-95 . . . . 15470 1 160 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 161 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 99.32 449 98.64 99.32 5.96e-94 . . . . 15470 1 162 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 99.32 449 97.96 99.32 4.69e-93 . . . . 15470 1 163 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 100.00 448 97.30 98.65 3.92e-93 . . . . 15470 1 164 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 100.00 448 97.30 98.65 4.01e-93 . . . . 15470 1 165 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 99.32 100.00 4.73e-95 . . . . 15470 1 166 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 99.32 448 98.64 100.00 3.56e-94 . . . . 15470 1 167 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 168 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 169 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 99.32 440 97.96 99.32 9.62e-94 . . . . 15470 1 170 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 99.32 100.00 2.10e-99 . . . . 15470 1 171 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 172 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 173 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 174 no PDB 4BYF . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 175 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 100.00 148 97.30 99.32 2.57e-97 . . . . 15470 1 176 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 177 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 178 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 179 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 100.00 152 99.32 100.00 1.35e-99 . . . . 15470 1 180 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 99.32 100.00 1.03e-99 . . . . 15470 1 181 no PDB 4EHQ . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 182 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 183 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 184 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 99.32 100.00 8.08e-100 . . . . 15470 1 185 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 99.32 448 97.96 99.32 4.46e-93 . . . . 15470 1 186 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 99.32 448 98.64 100.00 3.30e-94 . . . . 15470 1 187 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 99.32 448 98.64 100.00 3.30e-94 . . . . 15470 1 188 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 99.32 414 98.64 100.00 1.34e-94 . . . . 15470 1 189 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 99.32 448 98.64 100.00 3.30e-94 . . . . 15470 1 190 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 99.32 448 98.64 100.00 3.30e-94 . . . . 15470 1 191 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 192 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 193 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 194 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 195 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 196 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 197 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 198 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 199 no PDB 4QNH . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" . . . . . 100.00 149 98.65 99.32 2.53e-98 . . . . 15470 1 200 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 201 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 202 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 203 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 204 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 205 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 206 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 207 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 208 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 209 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 97.30 98.65 5.06e-97 . . . . 15470 1 210 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 211 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 212 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 213 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 214 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 215 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 216 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 217 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 218 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 219 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 220 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 99.32 100.00 2.01e-99 . . . . 15470 1 221 no PRF 0409298A . "troponin C-like protein" . . . . . 100.00 148 97.97 100.00 3.83e-99 . . . . 15470 1 222 no PRF 0608335A . calmodulin . . . . . 100.00 148 97.30 99.32 9.11e-97 . . . . 15470 1 223 no REF NP_001008160 . "calmodulin [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 224 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 225 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 226 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 227 no REF NP_001080864 . "calmodulin [Xenopus laevis]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 228 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.30 98.65 5.06e-97 . . . . 15470 1 229 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 98.65 100.00 6.91e-99 . . . . 15470 1 230 no SP P21251 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 97.97 99.32 4.14e-98 . . . . 15470 1 231 no SP P62144 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 232 no SP P62145 . "RecName: Full=Calmodulin; Short=CaM [Aplysia californica]" . . . . . 100.00 149 97.30 99.32 2.00e-97 . . . . 15470 1 233 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 216 97.97 98.65 1.12e-97 . . . . 15470 1 234 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 100.00 149 97.97 99.32 3.29e-98 . . . . 15470 1 235 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 236 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 237 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 99.32 100.00 2.19e-99 . . . . 15470 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Calcium signalling' 15470 1 'Protein kinase activator' 15470 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 . 15470 1 2 . ASP . 15470 1 3 . GLN . 15470 1 4 . LEU . 15470 1 5 . THR . 15470 1 6 . GLU . 15470 1 7 . GLU . 15470 1 8 . GLN . 15470 1 9 . ILE . 15470 1 10 . ALA . 15470 1 11 . GLU . 15470 1 12 . PHE . 15470 1 13 . LYS . 15470 1 14 . GLU . 15470 1 15 . ALA . 15470 1 16 . PHE . 15470 1 17 . SER . 15470 1 18 . LEU . 15470 1 19 . PHE . 15470 1 20 . ASP . 15470 1 21 . LYS . 15470 1 22 . ASP . 15470 1 23 . GLY . 15470 1 24 . ASP . 15470 1 25 . GLY . 15470 1 26 . THR . 15470 1 27 . ILE . 15470 1 28 . THR . 15470 1 29 . THR . 15470 1 30 . LYS . 15470 1 31 . GLU . 15470 1 32 . LEU . 15470 1 33 . GLY . 15470 1 34 . THR . 15470 1 35 . VAL . 15470 1 36 . MET . 15470 1 37 . ARG . 15470 1 38 . SER . 15470 1 39 . LEU . 15470 1 40 . GLY . 15470 1 41 . GLN . 15470 1 42 . ASN . 15470 1 43 . PRO . 15470 1 44 . THR . 15470 1 45 . GLU . 15470 1 46 . ALA . 15470 1 47 . GLU . 15470 1 48 . LEU . 15470 1 49 . GLN . 15470 1 50 . ASP . 15470 1 51 . MET . 15470 1 52 . ILE . 15470 1 53 . ASN . 15470 1 54 . GLU . 15470 1 55 . VAL . 15470 1 56 . ASP . 15470 1 57 . ALA . 15470 1 58 . ASP . 15470 1 59 . GLY . 15470 1 60 . ASN . 15470 1 61 . GLY . 15470 1 62 . THR . 15470 1 63 . ILE . 15470 1 64 . ASP . 15470 1 65 . PHE . 15470 1 66 . PRO . 15470 1 67 . GLU . 15470 1 68 . PHE . 15470 1 69 . LEU . 15470 1 70 . THR . 15470 1 71 . MET . 15470 1 72 . MET . 15470 1 73 . ALA . 15470 1 74 . ARG . 15470 1 75 . LYS . 15470 1 76 . MET . 15470 1 77 . LYS . 15470 1 78 . ASP . 15470 1 79 . THR . 15470 1 80 . ASP . 15470 1 81 . SER . 15470 1 82 . GLU . 15470 1 83 . GLU . 15470 1 84 . GLU . 15470 1 85 . ILE . 15470 1 86 . ARG . 15470 1 87 . GLU . 15470 1 88 . ALA . 15470 1 89 . PHE . 15470 1 90 . ARG . 15470 1 91 . VAL . 15470 1 92 . PHE . 15470 1 93 . ASP . 15470 1 94 . LYS . 15470 1 95 . ASP . 15470 1 96 . GLY . 15470 1 97 . ASN . 15470 1 98 . GLY . 15470 1 99 . TYR . 15470 1 100 . ILE . 15470 1 101 . SER . 15470 1 102 . ALA . 15470 1 103 . ALA . 15470 1 104 . GLU . 15470 1 105 . LEU . 15470 1 106 . ARG . 15470 1 107 . HIS . 15470 1 108 . VAL . 15470 1 109 . MET . 15470 1 110 . THR . 15470 1 111 . ASN . 15470 1 112 . LEU . 15470 1 113 . GLY . 15470 1 114 . GLU . 15470 1 115 . LYS . 15470 1 116 . LEU . 15470 1 117 . THR . 15470 1 118 . ASP . 15470 1 119 . GLU . 15470 1 120 . GLU . 15470 1 121 . VAL . 15470 1 122 . ASP . 15470 1 123 . GLU . 15470 1 124 . MET . 15470 1 125 . ILE . 15470 1 126 . ARG . 15470 1 127 . GLU . 15470 1 128 . ALA . 15470 1 129 . ASN . 15470 1 130 . ILE . 15470 1 131 . ASP . 15470 1 132 . GLY . 15470 1 133 . ASP . 15470 1 134 . GLY . 15470 1 135 . GLN . 15470 1 136 . VAL . 15470 1 137 . ASN . 15470 1 138 . TYR . 15470 1 139 . GLU . 15470 1 140 . GLU . 15470 1 141 . PHE . 15470 1 142 . VAL . 15470 1 143 . GLN . 15470 1 144 . MET . 15470 1 145 . MET . 15470 1 146 . THR . 15470 1 147 . ALA . 15470 1 148 . LYS . 15470 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 15470 1 . ASP 2 2 15470 1 . GLN 3 3 15470 1 . LEU 4 4 15470 1 . THR 5 5 15470 1 . GLU 6 6 15470 1 . GLU 7 7 15470 1 . GLN 8 8 15470 1 . ILE 9 9 15470 1 . ALA 10 10 15470 1 . GLU 11 11 15470 1 . PHE 12 12 15470 1 . LYS 13 13 15470 1 . GLU 14 14 15470 1 . ALA 15 15 15470 1 . PHE 16 16 15470 1 . SER 17 17 15470 1 . LEU 18 18 15470 1 . PHE 19 19 15470 1 . ASP 20 20 15470 1 . LYS 21 21 15470 1 . ASP 22 22 15470 1 . GLY 23 23 15470 1 . ASP 24 24 15470 1 . GLY 25 25 15470 1 . THR 26 26 15470 1 . ILE 27 27 15470 1 . THR 28 28 15470 1 . THR 29 29 15470 1 . LYS 30 30 15470 1 . GLU 31 31 15470 1 . LEU 32 32 15470 1 . GLY 33 33 15470 1 . THR 34 34 15470 1 . VAL 35 35 15470 1 . MET 36 36 15470 1 . ARG 37 37 15470 1 . SER 38 38 15470 1 . LEU 39 39 15470 1 . GLY 40 40 15470 1 . GLN 41 41 15470 1 . ASN 42 42 15470 1 . PRO 43 43 15470 1 . THR 44 44 15470 1 . GLU 45 45 15470 1 . ALA 46 46 15470 1 . GLU 47 47 15470 1 . LEU 48 48 15470 1 . GLN 49 49 15470 1 . ASP 50 50 15470 1 . MET 51 51 15470 1 . ILE 52 52 15470 1 . ASN 53 53 15470 1 . GLU 54 54 15470 1 . VAL 55 55 15470 1 . ASP 56 56 15470 1 . ALA 57 57 15470 1 . ASP 58 58 15470 1 . GLY 59 59 15470 1 . ASN 60 60 15470 1 . GLY 61 61 15470 1 . THR 62 62 15470 1 . ILE 63 63 15470 1 . ASP 64 64 15470 1 . PHE 65 65 15470 1 . PRO 66 66 15470 1 . GLU 67 67 15470 1 . PHE 68 68 15470 1 . LEU 69 69 15470 1 . THR 70 70 15470 1 . MET 71 71 15470 1 . MET 72 72 15470 1 . ALA 73 73 15470 1 . ARG 74 74 15470 1 . LYS 75 75 15470 1 . MET 76 76 15470 1 . LYS 77 77 15470 1 . ASP 78 78 15470 1 . THR 79 79 15470 1 . ASP 80 80 15470 1 . SER 81 81 15470 1 . GLU 82 82 15470 1 . GLU 83 83 15470 1 . GLU 84 84 15470 1 . ILE 85 85 15470 1 . ARG 86 86 15470 1 . GLU 87 87 15470 1 . ALA 88 88 15470 1 . PHE 89 89 15470 1 . ARG 90 90 15470 1 . VAL 91 91 15470 1 . PHE 92 92 15470 1 . ASP 93 93 15470 1 . LYS 94 94 15470 1 . ASP 95 95 15470 1 . GLY 96 96 15470 1 . ASN 97 97 15470 1 . GLY 98 98 15470 1 . TYR 99 99 15470 1 . ILE 100 100 15470 1 . SER 101 101 15470 1 . ALA 102 102 15470 1 . ALA 103 103 15470 1 . GLU 104 104 15470 1 . LEU 105 105 15470 1 . ARG 106 106 15470 1 . HIS 107 107 15470 1 . VAL 108 108 15470 1 . MET 109 109 15470 1 . THR 110 110 15470 1 . ASN 111 111 15470 1 . LEU 112 112 15470 1 . GLY 113 113 15470 1 . GLU 114 114 15470 1 . LYS 115 115 15470 1 . LEU 116 116 15470 1 . THR 117 117 15470 1 . ASP 118 118 15470 1 . GLU 119 119 15470 1 . GLU 120 120 15470 1 . VAL 121 121 15470 1 . ASP 122 122 15470 1 . GLU 123 123 15470 1 . MET 124 124 15470 1 . ILE 125 125 15470 1 . ARG 126 126 15470 1 . GLU 127 127 15470 1 . ALA 128 128 15470 1 . ASN 129 129 15470 1 . ILE 130 130 15470 1 . ASP 131 131 15470 1 . GLY 132 132 15470 1 . ASP 133 133 15470 1 . GLY 134 134 15470 1 . GLN 135 135 15470 1 . VAL 136 136 15470 1 . ASN 137 137 15470 1 . TYR 138 138 15470 1 . GLU 139 139 15470 1 . GLU 140 140 15470 1 . PHE 141 141 15470 1 . VAL 142 142 15470 1 . GLN 143 143 15470 1 . MET 144 144 15470 1 . MET 145 145 15470 1 . THR 146 146 15470 1 . ALA 147 147 15470 1 . LYS 148 148 15470 1 stop_ save_ save_Munc13-1_(458-492) _Entity.Sf_category entity _Entity.Sf_framecode Munc13-1_(458-492) _Entity.Entry_ID 15470 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Munc13-1_(458-492) _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 ; GSRAKANWLRAFNKVRMQLQ EARGEGEMSKSLWFKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Calmodulin binding region of Munc13-1 (458-492)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4170 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Molecular entity ID _ 2' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 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 yes PDB 1y8f . Munc13-1 . . . . . . . . . . . . . . 15470 2 2 yes PDB 2cjt . Munc13-1 . . . . . . . . . . . . . . 15470 2 3 yes PDB 2csj . Munc13-1 . . . . . . . . . . . . . . 15470 2 4 yes EMBL Q62768 . Munc13-1 . . . . . . . . . . . . . . 15470 2 5 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 36 100.00 100.00 1.20e-15 . . . . 15470 2 6 no DBJ BAA82984 . "KIAA1032 protein [Homo sapiens]" . . . . . 97.22 1702 100.00 100.00 1.38e-14 . . . . 15470 2 7 no DBJ BAE27895 . "unnamed protein product [Mus musculus]" . . . . . 97.22 1586 97.14 100.00 5.05e-14 . . . . 15470 2 8 no DBJ BAJ17676 . "unc-13 homolog A [synthetic construct]" . . . . . 97.22 1703 100.00 100.00 1.38e-14 . . . . 15470 2 9 no GB AAC52266 . "Munc13-1 [Rattus norvegicus]" . . . . . 97.22 1735 100.00 100.00 1.94e-14 . . . . 15470 2 10 no GB AAI72223 . "unc-13 homolog A (C. elegans), partial [synthetic construct]" . . . . . 97.22 1791 100.00 100.00 1.39e-14 . . . . 15470 2 11 no GB AAX09281 . "munc 13-1 [Mus musculus]" . . . . . 97.22 1712 100.00 100.00 2.21e-14 . . . . 15470 2 12 no GB EDL28951 . "unc-13 homolog A (C. elegans) [Mus musculus]" . . . . . 97.22 1638 97.14 100.00 5.99e-14 . . . . 15470 2 13 no GB ELK19163 . "Protein unc-13 like protein A [Pteropus alecto]" . . . . . 97.22 1693 97.14 100.00 4.89e-14 . . . . 15470 2 14 no REF NP_001025044 . "protein unc-13 homolog A [Mus musculus]" . . . . . 97.22 1712 97.14 100.00 6.60e-14 . . . . 15470 2 15 no REF NP_001073890 . "protein unc-13 homolog A [Homo sapiens]" . . . . . 97.22 1703 100.00 100.00 1.46e-14 . . . . 15470 2 16 no REF NP_074052 . "protein unc-13 homolog A [Rattus norvegicus]" . . . . . 97.22 1735 100.00 100.00 1.94e-14 . . . . 15470 2 17 no REF XP_002688619 . "PREDICTED: protein unc-13 homolog A isoform X9 [Bos taurus]" . . . . . 97.22 1707 97.14 100.00 4.67e-14 . . . . 15470 2 18 no REF XP_002801170 . "PREDICTED: protein unc-13 homolog A-like, partial [Macaca mulatta]" . . . . . 97.22 1029 100.00 100.00 1.62e-14 . . . . 15470 2 19 no SP Q4KUS2 . "RecName: Full=Protein unc-13 homolog A; AltName: Full=Munc13-1 [Mus musculus]" . . . . . 97.22 1712 97.14 100.00 6.60e-14 . . . . 15470 2 20 no SP Q62768 . "RecName: Full=Protein unc-13 homolog A; AltName: Full=Munc13-1 [Rattus norvegicus]" . . . . . 97.22 1735 100.00 100.00 1.94e-14 . . . . 15470 2 21 no SP Q9UPW8 . "RecName: Full=Protein unc-13 homolog A; AltName: Full=Munc13-1 [Homo sapiens]" . . . . . 97.22 1703 100.00 100.00 1.46e-14 . . . . 15470 2 22 no TPG DAA28231 . "TPA: protein unc-13 homolog A-like [Bos taurus]" . . . . . 97.22 1818 97.14 100.00 8.11e-14 . . . . 15470 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Neurotransmitter release' 15470 2 'Vesicle priming' 15470 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 -1 GLY . 15470 2 2 458 SER . 15470 2 3 459 ARG . 15470 2 4 460 ALA . 15470 2 5 461 LYS . 15470 2 6 462 ALA . 15470 2 7 463 ASN . 15470 2 8 464 TRP . 15470 2 9 465 LEU . 15470 2 10 466 ARG . 15470 2 11 467 ALA . 15470 2 12 468 PHE . 15470 2 13 469 ASN . 15470 2 14 470 LYS . 15470 2 15 471 VAL . 15470 2 16 472 ARG . 15470 2 17 473 MET . 15470 2 18 474 GLN . 15470 2 19 475 LEU . 15470 2 20 476 GLN . 15470 2 21 477 GLU . 15470 2 22 478 ALA . 15470 2 23 479 ARG . 15470 2 24 480 GLY . 15470 2 25 481 GLU . 15470 2 26 482 GLY . 15470 2 27 483 GLU . 15470 2 28 484 MET . 15470 2 29 485 SER . 15470 2 30 486 LYS . 15470 2 31 487 SER . 15470 2 32 488 LEU . 15470 2 33 489 TRP . 15470 2 34 490 PHE . 15470 2 35 491 LYS . 15470 2 36 492 GLY . 15470 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 . GLY 1 1 15470 2 . SER 2 2 15470 2 . ARG 3 3 15470 2 . ALA 4 4 15470 2 . LYS 5 5 15470 2 . ALA 6 6 15470 2 . ASN 7 7 15470 2 . TRP 8 8 15470 2 . LEU 9 9 15470 2 . ARG 10 10 15470 2 . ALA 11 11 15470 2 . PHE 12 12 15470 2 . ASN 13 13 15470 2 . LYS 14 14 15470 2 . VAL 15 15 15470 2 . ARG 16 16 15470 2 . MET 17 17 15470 2 . GLN 18 18 15470 2 . LEU 19 19 15470 2 . GLN 20 20 15470 2 . GLU 21 21 15470 2 . ALA 22 22 15470 2 . ARG 23 23 15470 2 . GLY 24 24 15470 2 . GLU 25 25 15470 2 . GLY 26 26 15470 2 . GLU 27 27 15470 2 . MET 28 28 15470 2 . SER 29 29 15470 2 . LYS 30 30 15470 2 . SER 31 31 15470 2 . LEU 32 32 15470 2 . TRP 33 33 15470 2 . PHE 34 34 15470 2 . LYS 35 35 15470 2 . GLY 36 36 15470 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15470 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 15470 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 15470 _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 $calmodulin . 8355 organism . 'Xenopus laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . . . . . . . . . . . 15470 1 2 2 $Munc13-1_(458-492) . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15470 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 15470 _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 $calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 (DE3) . . . . . . . . . . . . . . 'pET28a and pGEX-2T' . . . 'The his tag is off-frame, N-terminal GST fusion tag with thrombin cleavage recognition site' . . 15470 1 2 2 $Munc13-1_(458-492) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'This natural abundance synthetic peptide was used in the samples where calmodulin was uniformly labeled' . . 15470 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 15470 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007 ; _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 [Ca++] SMILES_CANONICAL CACTVS 2.87 15470 CA [Ca+2] SMILES OpenEye/OEToolkits 1.4.2 15470 CA [Ca+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15470 CA InChI=1/Ca/q+2 INCHI InChi 1 15470 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15470 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 . N . 2 . . . . no no . . . . . . . . . . . . . . . 15470 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15NCaM_Munc13-1 _Sample.Sf_category sample _Sample.Sf_framecode 13C15NCaM_Munc13-1 _Sample.Entry_ID 15470 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'uniformly 13C,15N labeled calmodulin bound to the syntethic Munc13-1(459-492) peptide' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 '[U-13C; U-15N]' . . 1 $calmodulin . . 1.5 . . mM 0.2 . . . 15470 1 2 Munc13-1 'natural abundance' . . 2 $Munc13-1_(458-492) . . 1.8 . . mM 0.2 . . . 15470 1 3 'Calcium chloride' 'natural abundance' . . . . . . 10 . . mM 1 . . . 15470 1 4 Bis-Tris 'natural abundance' . . . . . . 20 . . mM 2 . . . 15470 1 5 'Potassium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 15470 1 stop_ save_ save_13C15NMunc13-1_CaM _Sample.Sf_category sample _Sample.Sf_framecode 13C15NMunc13-1_CaM _Sample.Entry_ID 15470 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 13C,15N labeled Munc13-1 (458-492) peptide bound to calmodulin' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Munc13-1 '[U-13C; U-15N]' . . 2 $Munc13-1_(458-492) . . 0.5 . . mM 0.1 . . . 15470 2 2 calmodulin 'natural abundance' . . 1 $calmodulin . . 0.6 . . mM 0.1 . . . 15470 2 3 'Calcium chloride' 'natural abundance' . . . . . . 10 . . mM 1 . . . 15470 2 4 Bis-Tris 'natural abundance' . . . . . . 20 . . mM 2 . . . 15470 2 5 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 15470 2 stop_ save_ save_13C15NCaM_Munc13-1D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C15NCaM_Munc13-1D2O _Sample.Entry_ID 15470 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 13C,15N calmodulin bound to a Munc13-1 (459-492) synthetic peptide' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 '[U-13C; U-15N]' . . 1 $calmodulin . . 1.5 . . mM 0.2 . . . 15470 3 2 Munc13-1 'natural abundance' . . 2 $Munc13-1_(458-492) . . 1.8 . . mM 0.2 . . . 15470 3 3 'Calcium chloride' 'natural abundance' . . . . . . 10 . . mM 1 . . . 15470 3 4 Bis-Tris 'natural abundance' . . . . . . 20 . . mM 2 . . . 15470 3 5 'Potassium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 15470 3 stop_ save_ save_15NCaM_Munc13-1Pf1 _Sample.Sf_category sample _Sample.Sf_framecode 15NCaM_Munc13-1Pf1 _Sample.Entry_ID 15470 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 [U-15N] . . 1 $calmodulin . . 1.5 . . mM 0.2 . . . 15470 4 2 Munc13-1 'natural abundance' . . 2 $Munc13-1_(458-492) . . 1.8 . . mM 0.2 . . . 15470 4 3 'Calcium chloride' 'natural abundance' . . . . . . 10 . . mM 1 . . . 15470 4 4 Bis-Tris 'natural abundance' . . . . . . 20 . . mM 2 . . . 15470 4 5 'Potassium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 15470 4 6 'Bacteriophage Pf1' 'natural abundance' . . . . . . 4.2 . . mg 0.4 . . . 15470 4 stop_ save_ save_13C15NMunc13-1_CaMPf1 _Sample.Sf_category sample _Sample.Sf_framecode 13C15NMunc13-1_CaMPf1 _Sample.Entry_ID 15470 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Munc13-1 '[U-13C; U-15N]' . . 2 $Munc13-1_(458-492) . . 0.5 . . mM 0.1 . . . 15470 5 2 calmodulin 'natural abundance' . . 1 $calmodulin . . 0.6 . . mM 0.1 . . . 15470 5 3 'Calcium chloride' 'natural abundance' . . . . . . 10 . . mM 1 . . . 15470 5 4 Bis-Tris 'natural abundance' . . . . . . 20 . . mM 2 . . . 15470 5 5 'Potassium chloride' 'natural abundance' . . . . . . 150 . . mM 15 . . . 15470 5 6 'Bacteriophage Pf1' 'natural abundance' . . . . . . 4.2 . . mg 0.4 . . . 15470 5 stop_ save_ ####################### # Sample conditions # ####################### save_single _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode single _Sample_condition_list.Entry_ID 15470 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'single sample condition' 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 'ionic strength' 0.16 0.2 M 15470 1 pH 6.8 0.1 pH 15470 1 pressure 1 . atm 15470 1 temperature 308 0.1 K 15470 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15470 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details 'Software provided with Bruker NMR instruments for data acquisition, processing and analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' 'Rheinstetten, Germany' www.bruker-biospin.com 15470 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15470 1 processing 15470 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15470 _Software.ID 2 _Software.Name FELIX _Software.Version 2004 _Software.Details 'Felix 2004 (UNIX)' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' 'San Diego, CA. USA' www.felixnmr.com 15470 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15470 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15470 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' 'Bethesda, MD. USA' www.spin.niddk.nih.gov/nmrpipe 15470 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15470 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15470 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'San Francisco, CA. USA' www.cgl.ucsf.edu/home/sparky 15470 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15470 4 'data analysis' 15470 4 'peak picking' 15470 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600avance _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600avance _NMR_spectrometer.Entry_ID 15470 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryogenic cooled HCN probehead with Z-gradient coil unit' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600DRX _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600DRX _NMR_spectrometer.Entry_ID 15470 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'HCN probehead with Z-gradient coil unit' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700 _NMR_spectrometer.Entry_ID 15470 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'HCN probehead with triple-axis gradient coil unit' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 15470 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'Cryogenic cooled HCN probehead with Z-gradient coil unit' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 15470 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details 'Cryogenic cooled HCN probehead with Z-gradient coil unit' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15470 _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 600avance Bruker Avance . 600 'Cryogenic cooled HCN probehead with Z-gradient coil unit' . . 15470 1 2 600DRX Bruker DRX . 600 'HCN probehead with Z-gradient coil unit' . . 15470 1 3 700 Bruker Avance . 700 'HCN probehead with triple-axis gradient coil unit' . . 15470 1 4 800 Bruker DMX . 800 'Cryogenic cooled HCN probehead with Z-gradient coil unit' . . 15470 1 5 900 Bruker Avance . 900 'Cryogenic cooled HCN probehead with Z-gradient coil unit' . . 15470 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 15470 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 1 $600avance . . . . . . . . . . . . . . . . 15470 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $13C15NCaM_Munc13-1D2O isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 1 $600avance . . . . . . . . . . . . . . . . 15470 1 4 '3D HNCACB' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 3 $700 . . . . . . . . . . . . . . . . 15470 1 5 '3D HNCO' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 3 $700 . . . . . . . . . . . . . . . . 15470 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 1 $600avance . . . . . . . . . . . . . . . . 15470 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 5 $900 . . . . . . . . . . . . . . . . 15470 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $13C15NCaM_Munc13-1D2O isotropic . . 1 $single . . . 5 $900 . . . . . . . . . . . . . . . . 15470 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 3 $700 . . . . . . . . . . . . . . . . 15470 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $13C15NCaM_Munc13-1 isotropic . . 1 $single . . . 3 $700 . . . . . . . . . . . . . . . . 15470 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $13C15NCaM_Munc13-1D2O isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 12 '2D HBCBCaro' no . . . . . . . . . . 3 $13C15NCaM_Munc13-1D2O isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 13 '3D HMBCMet' no . . . . . . . . . . 3 $13C15NCaM_Munc13-1D2O isotropic . . 1 $single . . . 3 $700 . . . . . . . . . . . . . . . . 15470 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 1 $600avance . . . . . . . . . . . . . . . . 15470 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 16 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 17 '3D C(CO)NH' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 18 '3D HNCO' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 5 $900 . . . . . . . . . . . . . . . . 15470 1 19 '3D HNCACB' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 1 $600avance . . . . . . . . . . . . . . . . 15470 1 20 '3D H(CCO)NH' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 1 $600avance . . . . . . . . . . . . . . . . 15470 1 21 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 22 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 4 $800 . . . . . . . . . . . . . . . . 15470 1 23 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 4 $800 . . . . . . . . . . . . . . . . 15470 1 24 '3D HN(CA)CO' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 3 $700 . . . . . . . . . . . . . . . . 15470 1 25 '2D HBCBCaro' no . . . . . . . . . . 2 $13C15NMunc13-1_CaM isotropic . . 1 $single . . . 2 $600DRX . . . . . . . . . . . . . . . . 15470 1 26 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15NCaM_Munc13-1Pf1 anisotropic . . 1 $single . . . 5 $900 . . . . . . . . . . . . . . . . 15470 1 27 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $13C15NMunc13-1_CaMPf1 anisotropic . . 1 $single . . . 1 $600avance . . . . . . . . . . . . . . . . 15470 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 15470 _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 . . . . . . . . . 15470 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15470 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15470 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 15470 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $single _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Standard deviation from average value' _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 3 '3D CBCA(CO)NH' . . . 15470 1 4 '3D HNCACB' . . . 15470 1 5 '3D HNCO' . . . 15470 1 6 '3D HN(CA)CO' . . . 15470 1 9 '3D H(CCO)NH' . . . 15470 1 10 '3D C(CO)NH' . . . 15470 1 11 '3D HCCH-TOCSY' . . . 15470 1 12 '2D HBCBCaro' . . . 15470 1 13 '3D HMBCMet' . . . 15470 1 16 '3D CBCA(CO)NH' . . . 15470 1 17 '3D C(CO)NH' . . . 15470 1 18 '3D HNCO' . . . 15470 1 19 '3D HNCACB' . . . 15470 1 20 '3D H(CCO)NH' . . . 15470 1 21 '3D HCCH-TOCSY' . . . 15470 1 24 '3D HN(CA)CO' . . . 15470 1 25 '2D HBCBCaro' . . . 15470 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $SPARKY . . 15470 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 HA H 1 4.6268 0.050 . 1 . . . . 1 ALA HA . 15470 1 2 . 1 1 1 1 ALA HB1 H 1 1.5108 0.050 . 1 . . . . 1 ALA HB . 15470 1 3 . 1 1 1 1 ALA HB2 H 1 1.5108 0.050 . 1 . . . . 1 ALA HB . 15470 1 4 . 1 1 1 1 ALA HB3 H 1 1.5108 0.050 . 1 . . . . 1 ALA HB . 15470 1 5 . 1 1 1 1 ALA CB C 13 19.3538 0.400 . 1 . . . . 1 ALA CB . 15470 1 6 . 1 1 2 2 ASP H H 1 8.6498 0.050 . 1 . . . . 2 ASP H . 15470 1 7 . 1 1 2 2 ASP HA H 1 4.6238 0.050 . 1 . . . . 2 ASP HA . 15470 1 8 . 1 1 2 2 ASP HB2 H 1 2.6578 0.050 . 2 . . . . 2 ASP HB2 . 15470 1 9 . 1 1 2 2 ASP HB3 H 1 2.5778 0.050 . 2 . . . . 2 ASP HB3 . 15470 1 10 . 1 1 2 2 ASP C C 13 172.776 0.400 . 1 . . . . 2 ASP C . 15470 1 11 . 1 1 2 2 ASP CA C 13 54.7208 0.400 . 1 . . . . 2 ASP CA . 15470 1 12 . 1 1 2 2 ASP CB C 13 41.4108 0.400 . 1 . . . . 2 ASP CB . 15470 1 13 . 1 1 2 2 ASP N N 15 120.408 0.400 . 1 . . . . 2 ASP N . 15470 1 14 . 1 1 3 3 GLN H H 1 8.3488 0.050 . 1 . . . . 3 GLN H . 15470 1 15 . 1 1 3 3 GLN HA H 1 4.3718 0.050 . 1 . . . . 3 GLN HA . 15470 1 16 . 1 1 3 3 GLN HB2 H 1 2.0998 0.050 . 2 . . . . 3 GLN HB2 . 15470 1 17 . 1 1 3 3 GLN HB3 H 1 1.9848 0.050 . 2 . . . . 3 GLN HB3 . 15470 1 18 . 1 1 3 3 GLN HG2 H 1 2.3438 0.050 . 2 . . . . 3 GLN HG2 . 15470 1 19 . 1 1 3 3 GLN C C 13 172.795 0.400 . 1 . . . . 3 GLN C . 15470 1 20 . 1 1 3 3 GLN CA C 13 55.5088 0.400 . 1 . . . . 3 GLN CA . 15470 1 21 . 1 1 3 3 GLN CB C 13 29.6228 0.400 . 1 . . . . 3 GLN CB . 15470 1 22 . 1 1 3 3 GLN CG C 13 33.7638 0.400 . 1 . . . . 3 GLN CG . 15470 1 23 . 1 1 3 3 GLN N N 15 119.406 0.400 . 1 . . . . 3 GLN N . 15470 1 24 . 1 1 4 4 LEU H H 1 8.2758 0.050 . 1 . . . . 4 LEU H . 15470 1 25 . 1 1 4 4 LEU HA H 1 4.6658 0.050 . 1 . . . . 4 LEU HA . 15470 1 26 . 1 1 4 4 LEU HB2 H 1 1.7198 0.050 . 2 . . . . 4 LEU HB2 . 15470 1 27 . 1 1 4 4 LEU HB3 H 1 1.5088 0.050 . 2 . . . . 4 LEU HB3 . 15470 1 28 . 1 1 4 4 LEU HD11 H 1 0.9218 0.050 . 2 . . . . 4 LEU HD1 . 15470 1 29 . 1 1 4 4 LEU HD12 H 1 0.9218 0.050 . 2 . . . . 4 LEU HD1 . 15470 1 30 . 1 1 4 4 LEU HD13 H 1 0.9218 0.050 . 2 . . . . 4 LEU HD1 . 15470 1 31 . 1 1 4 4 LEU HD21 H 1 0.9138 0.050 . 2 . . . . 4 LEU HD2 . 15470 1 32 . 1 1 4 4 LEU HD22 H 1 0.9138 0.050 . 2 . . . . 4 LEU HD2 . 15470 1 33 . 1 1 4 4 LEU HD23 H 1 0.9138 0.050 . 2 . . . . 4 LEU HD2 . 15470 1 34 . 1 1 4 4 LEU C C 13 174.846 0.400 . 1 . . . . 4 LEU C . 15470 1 35 . 1 1 4 4 LEU CA C 13 54.4288 0.400 . 1 . . . . 4 LEU CA . 15470 1 36 . 1 1 4 4 LEU CB C 13 43.4358 0.400 . 1 . . . . 4 LEU CB . 15470 1 37 . 1 1 4 4 LEU CD1 C 13 26.5188 0.400 . 2 . . . . 4 LEU CD1 . 15470 1 38 . 1 1 4 4 LEU CD2 C 13 23.6078 0.400 . 2 . . . . 4 LEU CD2 . 15470 1 39 . 1 1 4 4 LEU CG C 13 26.7118 0.400 . 1 . . . . 4 LEU CG . 15470 1 40 . 1 1 4 4 LEU N N 15 122.558 0.400 . 1 . . . . 4 LEU N . 15470 1 41 . 1 1 5 5 THR H H 1 8.6608 0.050 . 1 . . . . 5 THR H . 15470 1 42 . 1 1 5 5 THR HA H 1 4.4578 0.050 . 1 . . . . 5 THR HA . 15470 1 43 . 1 1 5 5 THR HB H 1 4.7428 0.050 . 1 . . . . 5 THR HB . 15470 1 44 . 1 1 5 5 THR HG21 H 1 1.3348 0.050 . 1 . . . . 5 THR HG2 . 15470 1 45 . 1 1 5 5 THR HG22 H 1 1.3348 0.050 . 1 . . . . 5 THR HG2 . 15470 1 46 . 1 1 5 5 THR HG23 H 1 1.3348 0.050 . 1 . . . . 5 THR HG2 . 15470 1 47 . 1 1 5 5 THR C C 13 172.634 0.400 . 1 . . . . 5 THR C . 15470 1 48 . 1 1 5 5 THR CA C 13 60.4938 0.400 . 1 . . . . 5 THR CA . 15470 1 49 . 1 1 5 5 THR CB C 13 71.0398 0.400 . 1 . . . . 5 THR CB . 15470 1 50 . 1 1 5 5 THR N N 15 112.406 0.400 . 1 . . . . 5 THR N . 15470 1 51 . 1 1 6 6 GLU H H 1 9.0168 0.050 . 1 . . . . 6 GLU H . 15470 1 52 . 1 1 6 6 GLU HA H 1 3.9888 0.050 . 1 . . . . 6 GLU HA . 15470 1 53 . 1 1 6 6 GLU HB2 H 1 2.0698 0.050 . 2 . . . . 6 GLU HB2 . 15470 1 54 . 1 1 6 6 GLU HG2 H 1 2.3698 0.050 . 2 . . . . 6 GLU HG2 . 15470 1 55 . 1 1 6 6 GLU C C 13 176.679 0.400 . 1 . . . . 6 GLU C . 15470 1 56 . 1 1 6 6 GLU CA C 13 60.1138 0.400 . 1 . . . . 6 GLU CA . 15470 1 57 . 1 1 6 6 GLU CB C 13 28.8778 0.400 . 1 . . . . 6 GLU CB . 15470 1 58 . 1 1 6 6 GLU CG C 13 36.4658 0.400 . 1 . . . . 6 GLU CG . 15470 1 59 . 1 1 6 6 GLU N N 15 120.053 0.400 . 1 . . . . 6 GLU N . 15470 1 60 . 1 1 7 7 GLU H H 1 8.6658 0.050 . 1 . . . . 7 GLU H . 15470 1 61 . 1 1 7 7 GLU HA H 1 4.0888 0.050 . 1 . . . . 7 GLU HA . 15470 1 62 . 1 1 7 7 GLU HB2 H 1 2.1128 0.050 . 2 . . . . 7 GLU HB2 . 15470 1 63 . 1 1 7 7 GLU HB3 H 1 1.9568 0.050 . 2 . . . . 7 GLU HB3 . 15470 1 64 . 1 1 7 7 GLU HG2 H 1 2.3488 0.050 . 2 . . . . 7 GLU HG2 . 15470 1 65 . 1 1 7 7 GLU C C 13 176.396 0.400 . 1 . . . . 7 GLU C . 15470 1 66 . 1 1 7 7 GLU CA C 13 59.4768 0.400 . 1 . . . . 7 GLU CA . 15470 1 67 . 1 1 7 7 GLU CB C 13 29.2168 0.400 . 1 . . . . 7 GLU CB . 15470 1 68 . 1 1 7 7 GLU CG C 13 36.5738 0.400 . 1 . . . . 7 GLU CG . 15470 1 69 . 1 1 7 7 GLU N N 15 118.929 0.400 . 1 . . . . 7 GLU N . 15470 1 70 . 1 1 8 8 GLN H H 1 7.7268 0.050 . 1 . . . . 8 GLN H . 15470 1 71 . 1 1 8 8 GLN HA H 1 4.0168 0.050 . 1 . . . . 8 GLN HA . 15470 1 72 . 1 1 8 8 GLN HB2 H 1 2.0748 0.050 . 2 . . . . 8 GLN HB2 . 15470 1 73 . 1 1 8 8 GLN HB3 H 1 1.9518 0.050 . 2 . . . . 8 GLN HB3 . 15470 1 74 . 1 1 8 8 GLN HG2 H 1 2.3468 0.050 . 2 . . . . 8 GLN HG2 . 15470 1 75 . 1 1 8 8 GLN C C 13 175.426 0.400 . 1 . . . . 8 GLN C . 15470 1 76 . 1 1 8 8 GLN CA C 13 59.2018 0.400 . 1 . . . . 8 GLN CA . 15470 1 77 . 1 1 8 8 GLN CB C 13 29.2978 0.400 . 1 . . . . 8 GLN CB . 15470 1 78 . 1 1 8 8 GLN CG C 13 34.9948 0.400 . 1 . . . . 8 GLN CG . 15470 1 79 . 1 1 8 8 GLN N N 15 119.631 0.400 . 1 . . . . 8 GLN N . 15470 1 80 . 1 1 9 9 ILE H H 1 8.3558 0.050 . 1 . . . . 9 ILE H . 15470 1 81 . 1 1 9 9 ILE HA H 1 3.6678 0.050 . 1 . . . . 9 ILE HA . 15470 1 82 . 1 1 9 9 ILE HB H 1 1.9468 0.050 . 1 . . . . 9 ILE HB . 15470 1 83 . 1 1 9 9 ILE HD11 H 1 0.8698 0.050 . 1 . . . . 9 ILE HD1 . 15470 1 84 . 1 1 9 9 ILE HD12 H 1 0.8698 0.050 . 1 . . . . 9 ILE HD1 . 15470 1 85 . 1 1 9 9 ILE HD13 H 1 0.8698 0.050 . 1 . . . . 9 ILE HD1 . 15470 1 86 . 1 1 9 9 ILE HG12 H 1 1.7898 0.050 . 2 . . . . 9 ILE HG12 . 15470 1 87 . 1 1 9 9 ILE HG13 H 1 1.1008 0.050 . 2 . . . . 9 ILE HG13 . 15470 1 88 . 1 1 9 9 ILE HG21 H 1 1.1088 0.050 . 1 . . . . 9 ILE HG2 . 15470 1 89 . 1 1 9 9 ILE HG22 H 1 1.1088 0.050 . 1 . . . . 9 ILE HG2 . 15470 1 90 . 1 1 9 9 ILE HG23 H 1 1.1088 0.050 . 1 . . . . 9 ILE HG2 . 15470 1 91 . 1 1 9 9 ILE C C 13 174.972 0.400 . 1 . . . . 9 ILE C . 15470 1 92 . 1 1 9 9 ILE CA C 13 66.2438 0.400 . 1 . . . . 9 ILE CA . 15470 1 93 . 1 1 9 9 ILE CB C 13 37.6528 0.400 . 1 . . . . 9 ILE CB . 15470 1 94 . 1 1 9 9 ILE CG1 C 13 30.0558 0.400 . 1 . . . . 9 ILE CG1 . 15470 1 95 . 1 1 9 9 ILE CG2 C 13 17.3308 0.400 . 1 . . . . 9 ILE CG2 . 15470 1 96 . 1 1 9 9 ILE N N 15 119.286 0.400 . 1 . . . . 9 ILE N . 15470 1 97 . 1 1 10 10 ALA H H 1 8.0378 0.050 . 1 . . . . 10 ALA H . 15470 1 98 . 1 1 10 10 ALA HA H 1 4.1148 0.050 . 1 . . . . 10 ALA HA . 15470 1 99 . 1 1 10 10 ALA HB1 H 1 1.5208 0.050 . 1 . . . . 10 ALA HB . 15470 1 100 . 1 1 10 10 ALA HB2 H 1 1.5208 0.050 . 1 . . . . 10 ALA HB . 15470 1 101 . 1 1 10 10 ALA HB3 H 1 1.5208 0.050 . 1 . . . . 10 ALA HB . 15470 1 102 . 1 1 10 10 ALA C C 13 178.227 0.400 . 1 . . . . 10 ALA C . 15470 1 103 . 1 1 10 10 ALA CA C 13 55.3388 0.400 . 1 . . . . 10 ALA CA . 15470 1 104 . 1 1 10 10 ALA CB C 13 17.7468 0.400 . 1 . . . . 10 ALA CB . 15470 1 105 . 1 1 10 10 ALA N N 15 120.740 0.400 . 1 . . . . 10 ALA N . 15470 1 106 . 1 1 11 11 GLU H H 1 7.8478 0.050 . 1 . . . . 11 GLU H . 15470 1 107 . 1 1 11 11 GLU HA H 1 4.1628 0.050 . 1 . . . . 11 GLU HA . 15470 1 108 . 1 1 11 11 GLU HB2 H 1 2.0978 0.050 . 2 . . . . 11 GLU HB2 . 15470 1 109 . 1 1 11 11 GLU HB3 H 1 2.0178 0.050 . 2 . . . . 11 GLU HB3 . 15470 1 110 . 1 1 11 11 GLU HG2 H 1 2.0148 0.050 . 2 . . . . 11 GLU HG2 . 15470 1 111 . 1 1 11 11 GLU C C 13 177.704 0.400 . 1 . . . . 11 GLU C . 15470 1 112 . 1 1 11 11 GLU CA C 13 59.4538 0.400 . 1 . . . . 11 GLU CA . 15470 1 113 . 1 1 11 11 GLU CG C 13 35.5888 0.400 . 1 . . . . 11 GLU CG . 15470 1 114 . 1 1 11 11 GLU N N 15 118.942 0.400 . 1 . . . . 11 GLU N . 15470 1 115 . 1 1 12 12 PHE H H 1 8.6068 0.050 . 1 . . . . 12 PHE H . 15470 1 116 . 1 1 12 12 PHE HA H 1 5.0048 0.050 . 1 . . . . 12 PHE HA . 15470 1 117 . 1 1 12 12 PHE HB2 H 1 3.5338 0.050 . 2 . . . . 12 PHE HB2 . 15470 1 118 . 1 1 12 12 PHE HB3 H 1 3.4618 0.050 . 2 . . . . 12 PHE HB3 . 15470 1 119 . 1 1 12 12 PHE HD1 H 1 7.1668 0.050 . 3 . . . . 12 PHE HD1 . 15470 1 120 . 1 1 12 12 PHE HD2 H 1 7.1668 0.050 . 3 . . . . 12 PHE HD2 . 15470 1 121 . 1 1 12 12 PHE HE1 H 1 7.2128 0.050 . 3 . . . . 12 PHE HE1 . 15470 1 122 . 1 1 12 12 PHE HE2 H 1 7.2128 0.050 . 3 . . . . 12 PHE HE2 . 15470 1 123 . 1 1 12 12 PHE HZ H 1 6.7078 0.050 . 1 . . . . 12 PHE HZ . 15470 1 124 . 1 1 12 12 PHE C C 13 175.906 0.400 . 1 . . . . 12 PHE C . 15470 1 125 . 1 1 12 12 PHE CA C 13 58.9768 0.400 . 1 . . . . 12 PHE CA . 15470 1 126 . 1 1 12 12 PHE CB C 13 37.4318 0.400 . 1 . . . . 12 PHE CB . 15470 1 127 . 1 1 12 12 PHE CD1 C 13 128.343 0.400 . 3 . . . . 12 PHE CD1 . 15470 1 128 . 1 1 12 12 PHE CD2 C 13 128.343 0.400 . 3 . . . . 12 PHE CD2 . 15470 1 129 . 1 1 12 12 PHE N N 15 119.640 0.400 . 1 . . . . 12 PHE N . 15470 1 130 . 1 1 13 13 LYS H H 1 9.2148 0.050 . 1 . . . . 13 LYS H . 15470 1 131 . 1 1 13 13 LYS HA H 1 4.0098 0.050 . 1 . . . . 13 LYS HA . 15470 1 132 . 1 1 13 13 LYS HB2 H 1 1.9098 0.050 . 2 . . . . 13 LYS HB2 . 15470 1 133 . 1 1 13 13 LYS HD2 H 1 1.2578 0.050 . 2 . . . . 13 LYS HD2 . 15470 1 134 . 1 1 13 13 LYS HD3 H 1 1.1078 0.050 . 2 . . . . 13 LYS HD3 . 15470 1 135 . 1 1 13 13 LYS HE2 H 1 2.5478 0.050 . 2 . . . . 13 LYS HE2 . 15470 1 136 . 1 1 13 13 LYS HG2 H 1 0.6978 0.050 . 2 . . . . 13 LYS HG2 . 15470 1 137 . 1 1 13 13 LYS C C 13 176.515 0.400 . 1 . . . . 13 LYS C . 15470 1 138 . 1 1 13 13 LYS N N 15 122.920 0.400 . 1 . . . . 13 LYS N . 15470 1 139 . 1 1 14 14 GLU H H 1 7.7328 0.050 . 1 . . . . 14 GLU H . 15470 1 140 . 1 1 14 14 GLU HA H 1 3.8078 0.050 . 1 . . . . 14 GLU HA . 15470 1 141 . 1 1 14 14 GLU HB2 H 1 1.8978 0.050 . 2 . . . . 14 GLU HB2 . 15470 1 142 . 1 1 14 14 GLU HG2 H 1 2.0778 0.050 . 2 . . . . 14 GLU HG2 . 15470 1 143 . 1 1 14 14 GLU C C 13 176.562 0.400 . 1 . . . . 14 GLU C . 15470 1 144 . 1 1 14 14 GLU N N 15 119.254 0.400 . 1 . . . . 14 GLU N . 15470 1 145 . 1 1 15 15 ALA H H 1 8.0278 0.050 . 1 . . . . 15 ALA H . 15470 1 146 . 1 1 15 15 ALA HA H 1 4.2028 0.050 . 1 . . . . 15 ALA HA . 15470 1 147 . 1 1 15 15 ALA HB1 H 1 1.9258 0.050 . 1 . . . . 15 ALA HB . 15470 1 148 . 1 1 15 15 ALA HB2 H 1 1.9258 0.050 . 1 . . . . 15 ALA HB . 15470 1 149 . 1 1 15 15 ALA HB3 H 1 1.9258 0.050 . 1 . . . . 15 ALA HB . 15470 1 150 . 1 1 15 15 ALA C C 13 176.200 0.400 . 1 . . . . 15 ALA C . 15470 1 151 . 1 1 15 15 ALA CA C 13 55.2968 0.400 . 1 . . . . 15 ALA CA . 15470 1 152 . 1 1 15 15 ALA CB C 13 18.4428 0.400 . 1 . . . . 15 ALA CB . 15470 1 153 . 1 1 15 15 ALA N N 15 121.803 0.400 . 1 . . . . 15 ALA N . 15470 1 154 . 1 1 16 16 PHE H H 1 8.7548 0.050 . 1 . . . . 16 PHE H . 15470 1 155 . 1 1 16 16 PHE HA H 1 3.2708 0.050 . 1 . . . . 16 PHE HA . 15470 1 156 . 1 1 16 16 PHE HB2 H 1 2.9218 0.050 . 2 . . . . 16 PHE HB2 . 15470 1 157 . 1 1 16 16 PHE HD1 H 1 6.5058 0.050 . 3 . . . . 16 PHE HD1 . 15470 1 158 . 1 1 16 16 PHE HD2 H 1 6.5058 0.050 . 3 . . . . 16 PHE HD2 . 15470 1 159 . 1 1 16 16 PHE HE1 H 1 6.9738 0.050 . 3 . . . . 16 PHE HE1 . 15470 1 160 . 1 1 16 16 PHE HE2 H 1 6.9738 0.050 . 3 . . . . 16 PHE HE2 . 15470 1 161 . 1 1 16 16 PHE C C 13 174.515 0.400 . 1 . . . . 16 PHE C . 15470 1 162 . 1 1 16 16 PHE CA C 13 61.9028 0.400 . 1 . . . . 16 PHE CA . 15470 1 163 . 1 1 16 16 PHE CB C 13 39.7248 0.400 . 1 . . . . 16 PHE CB . 15470 1 164 . 1 1 16 16 PHE CE1 C 13 129.482 0.400 . 3 . . . . 16 PHE CE1 . 15470 1 165 . 1 1 16 16 PHE CE2 C 13 129.482 0.400 . 3 . . . . 16 PHE CE2 . 15470 1 166 . 1 1 16 16 PHE N N 15 118.544 0.400 . 1 . . . . 16 PHE N . 15470 1 167 . 1 1 17 17 SER H H 1 8.0948 0.050 . 1 . . . . 17 SER H . 15470 1 168 . 1 1 17 17 SER HA H 1 4.1188 0.050 . 1 . . . . 17 SER HA . 15470 1 169 . 1 1 17 17 SER HB2 H 1 4.1028 0.050 . 2 . . . . 17 SER HB2 . 15470 1 170 . 1 1 17 17 SER C C 13 172.086 0.400 . 1 . . . . 17 SER C . 15470 1 171 . 1 1 17 17 SER CA C 13 61.6608 0.400 . 1 . . . . 17 SER CA . 15470 1 172 . 1 1 17 17 SER CB C 13 63.2668 0.400 . 1 . . . . 17 SER CB . 15470 1 173 . 1 1 17 17 SER N N 15 112.660 0.400 . 1 . . . . 17 SER N . 15470 1 174 . 1 1 18 18 LEU H H 1 7.4048 0.050 . 1 . . . . 18 LEU H . 15470 1 175 . 1 1 18 18 LEU HA H 1 3.9878 0.050 . 1 . . . . 18 LEU HA . 15470 1 176 . 1 1 18 18 LEU HB2 H 1 1.6978 0.050 . 2 . . . . 18 LEU HB2 . 15470 1 177 . 1 1 18 18 LEU HB3 H 1 1.4898 0.050 . 2 . . . . 18 LEU HB3 . 15470 1 178 . 1 1 18 18 LEU HD11 H 1 0.6838 0.050 . 2 . . . . 18 LEU HD1 . 15470 1 179 . 1 1 18 18 LEU HD12 H 1 0.6838 0.050 . 2 . . . . 18 LEU HD1 . 15470 1 180 . 1 1 18 18 LEU HD13 H 1 0.6838 0.050 . 2 . . . . 18 LEU HD1 . 15470 1 181 . 1 1 18 18 LEU HD21 H 1 0.8008 0.050 . 2 . . . . 18 LEU HD2 . 15470 1 182 . 1 1 18 18 LEU HD22 H 1 0.8008 0.050 . 2 . . . . 18 LEU HD2 . 15470 1 183 . 1 1 18 18 LEU HD23 H 1 0.8008 0.050 . 2 . . . . 18 LEU HD2 . 15470 1 184 . 1 1 18 18 LEU HG H 1 1.3278 0.050 . 1 . . . . 18 LEU HG . 15470 1 185 . 1 1 18 18 LEU C C 13 174.982 0.400 . 1 . . . . 18 LEU C . 15470 1 186 . 1 1 18 18 LEU CB C 13 41.4138 0.400 . 1 . . . . 18 LEU CB . 15470 1 187 . 1 1 18 18 LEU N N 15 120.184 0.400 . 1 . . . . 18 LEU N . 15470 1 188 . 1 1 19 19 PHE H H 1 7.0848 0.050 . 1 . . . . 19 PHE H . 15470 1 189 . 1 1 19 19 PHE HA H 1 3.8578 0.050 . 1 . . . . 19 PHE HA . 15470 1 190 . 1 1 19 19 PHE HB2 H 1 2.631 0.050 . 2 . . . . 19 PHE HB2 . 15470 1 191 . 1 1 19 19 PHE HD1 H 1 7.3118 0.050 . 3 . . . . 19 PHE HD1 . 15470 1 192 . 1 1 19 19 PHE HD2 H 1 7.3118 0.050 . 3 . . . . 19 PHE HD2 . 15470 1 193 . 1 1 19 19 PHE HE1 H 1 7.2768 0.050 . 3 . . . . 19 PHE HE1 . 15470 1 194 . 1 1 19 19 PHE HE2 H 1 7.2768 0.050 . 3 . . . . 19 PHE HE2 . 15470 1 195 . 1 1 19 19 PHE C C 13 173.816 0.400 . 1 . . . . 19 PHE C . 15470 1 196 . 1 1 19 19 PHE CB C 13 41.4328 0.400 . 1 . . . . 19 PHE CB . 15470 1 197 . 1 1 19 19 PHE CD1 C 13 128.595 0.400 . 3 . . . . 19 PHE CD1 . 15470 1 198 . 1 1 19 19 PHE CD2 C 13 128.595 0.400 . 3 . . . . 19 PHE CD2 . 15470 1 199 . 1 1 19 19 PHE N N 15 114.926 0.400 . 1 . . . . 19 PHE N . 15470 1 200 . 1 1 20 20 ASP H H 1 7.7588 0.050 . 1 . . . . 20 ASP H . 15470 1 201 . 1 1 20 20 ASP HA H 1 4.5518 0.050 . 1 . . . . 20 ASP HA . 15470 1 202 . 1 1 20 20 ASP HB2 H 1 2.4478 0.050 . 2 . . . . 20 ASP HB2 . 15470 1 203 . 1 1 20 20 ASP C C 13 174.355 0.400 . 1 . . . . 20 ASP C . 15470 1 204 . 1 1 20 20 ASP CB C 13 39.0518 0.400 . 1 . . . . 20 ASP CB . 15470 1 205 . 1 1 20 20 ASP N N 15 116.333 0.400 . 1 . . . . 20 ASP N . 15470 1 206 . 1 1 21 21 LYS H H 1 7.6578 0.050 . 1 . . . . 21 LYS H . 15470 1 207 . 1 1 21 21 LYS HA H 1 3.9788 0.050 . 1 . . . . 21 LYS HA . 15470 1 208 . 1 1 21 21 LYS HB2 H 1 1.8628 0.050 . 2 . . . . 21 LYS HB2 . 15470 1 209 . 1 1 21 21 LYS HD2 H 1 1.8878 0.050 . 2 . . . . 21 LYS HD2 . 15470 1 210 . 1 1 21 21 LYS HE2 H 1 2.9678 0.050 . 2 . . . . 21 LYS HE2 . 15470 1 211 . 1 1 21 21 LYS HG2 H 1 1.5388 0.050 . 2 . . . . 21 LYS HG2 . 15470 1 212 . 1 1 21 21 LYS C C 13 175.352 0.400 . 1 . . . . 21 LYS C . 15470 1 213 . 1 1 21 21 LYS CA C 13 58.4158 0.400 . 1 . . . . 21 LYS CA . 15470 1 214 . 1 1 21 21 LYS CB C 13 32.6218 0.400 . 1 . . . . 21 LYS CB . 15470 1 215 . 1 1 21 21 LYS CD C 13 28.1138 0.400 . 1 . . . . 21 LYS CD . 15470 1 216 . 1 1 21 21 LYS CE C 13 41.9438 0.400 . 1 . . . . 21 LYS CE . 15470 1 217 . 1 1 21 21 LYS CG C 13 24.1018 0.400 . 1 . . . . 21 LYS CG . 15470 1 218 . 1 1 21 21 LYS N N 15 123.905 0.400 . 1 . . . . 21 LYS N . 15470 1 219 . 1 1 22 22 ASP H H 1 8.1708 0.050 . 1 . . . . 22 ASP H . 15470 1 220 . 1 1 22 22 ASP HA H 1 4.5878 0.050 . 1 . . . . 22 ASP HA . 15470 1 221 . 1 1 22 22 ASP HB2 H 1 2.7078 0.050 . 2 . . . . 22 ASP HB2 . 15470 1 222 . 1 1 22 22 ASP HB3 H 1 2.2978 0.050 . 2 . . . . 22 ASP HB3 . 15470 1 223 . 1 1 22 22 ASP C C 13 174.872 0.400 . 1 . . . . 22 ASP C . 15470 1 224 . 1 1 22 22 ASP CA C 13 52.9928 0.400 . 1 . . . . 22 ASP CA . 15470 1 225 . 1 1 22 22 ASP CB C 13 39.6798 0.400 . 1 . . . . 22 ASP CB . 15470 1 226 . 1 1 22 22 ASP N N 15 113.617 0.400 . 1 . . . . 22 ASP N . 15470 1 227 . 1 1 23 23 GLY H H 1 7.7238 0.050 . 1 . . . . 23 GLY H . 15470 1 228 . 1 1 23 23 GLY HA2 H 1 3.8868 0.050 . 2 . . . . 23 GLY HA2 . 15470 1 229 . 1 1 23 23 GLY HA3 H 1 3.8808 0.050 . 2 . . . . 23 GLY HA3 . 15470 1 230 . 1 1 23 23 GLY C C 13 172.439 0.400 . 1 . . . . 23 GLY C . 15470 1 231 . 1 1 23 23 GLY CA C 13 47.3378 0.400 . 1 . . . . 23 GLY CA . 15470 1 232 . 1 1 23 23 GLY N N 15 108.896 0.400 . 1 . . . . 23 GLY N . 15470 1 233 . 1 1 24 24 ASP H H 1 8.4838 0.050 . 1 . . . . 24 ASP H . 15470 1 234 . 1 1 24 24 ASP HA H 1 4.4938 0.050 . 1 . . . . 24 ASP HA . 15470 1 235 . 1 1 24 24 ASP HB2 H 1 3.0608 0.050 . 2 . . . . 24 ASP HB2 . 15470 1 236 . 1 1 24 24 ASP HB3 H 1 2.4508 0.050 . 2 . . . . 24 ASP HB3 . 15470 1 237 . 1 1 24 24 ASP C C 13 174.627 0.400 . 1 . . . . 24 ASP C . 15470 1 238 . 1 1 24 24 ASP CA C 13 53.8208 0.400 . 1 . . . . 24 ASP CA . 15470 1 239 . 1 1 24 24 ASP CB C 13 40.4658 0.400 . 1 . . . . 24 ASP CB . 15470 1 240 . 1 1 24 24 ASP N N 15 120.446 0.400 . 1 . . . . 24 ASP N . 15470 1 241 . 1 1 25 25 GLY H H 1 10.6268 0.050 . 1 . . . . 25 GLY H . 15470 1 242 . 1 1 25 25 GLY HA2 H 1 4.3938 0.050 . 2 . . . . 25 GLY HA2 . 15470 1 243 . 1 1 25 25 GLY HA3 H 1 3.7288 0.050 . 2 . . . . 25 GLY HA3 . 15470 1 244 . 1 1 25 25 GLY C C 13 170.854 0.400 . 1 . . . . 25 GLY C . 15470 1 245 . 1 1 25 25 GLY CA C 13 45.2538 0.400 . 1 . . . . 25 GLY CA . 15470 1 246 . 1 1 25 25 GLY N N 15 112.712 0.400 . 1 . . . . 25 GLY N . 15470 1 247 . 1 1 26 26 THR H H 1 8.2408 0.050 . 1 . . . . 26 THR H . 15470 1 248 . 1 1 26 26 THR HA H 1 5.4288 0.050 . 1 . . . . 26 THR HA . 15470 1 249 . 1 1 26 26 THR HB H 1 3.8598 0.050 . 1 . . . . 26 THR HB . 15470 1 250 . 1 1 26 26 THR HG21 H 1 1.0698 0.050 . 1 . . . . 26 THR HG2 . 15470 1 251 . 1 1 26 26 THR HG22 H 1 1.0698 0.050 . 1 . . . . 26 THR HG2 . 15470 1 252 . 1 1 26 26 THR HG23 H 1 1.0698 0.050 . 1 . . . . 26 THR HG2 . 15470 1 253 . 1 1 26 26 THR C C 13 170.112 0.400 . 1 . . . . 26 THR C . 15470 1 254 . 1 1 26 26 THR CB C 13 72.5468 0.400 . 1 . . . . 26 THR CB . 15470 1 255 . 1 1 26 26 THR CG2 C 13 21.7198 0.400 . 1 . . . . 26 THR CG2 . 15470 1 256 . 1 1 26 26 THR N N 15 111.977 0.400 . 1 . . . . 26 THR N . 15470 1 257 . 1 1 27 27 ILE H H 1 9.9298 0.050 . 1 . . . . 27 ILE H . 15470 1 258 . 1 1 27 27 ILE HA H 1 4.8338 0.050 . 1 . . . . 27 ILE HA . 15470 1 259 . 1 1 27 27 ILE HB H 1 1.8038 0.050 . 1 . . . . 27 ILE HB . 15470 1 260 . 1 1 27 27 ILE HG12 H 1 1.2588 0.050 . 2 . . . . 27 ILE HG12 . 15470 1 261 . 1 1 27 27 ILE HG13 H 1 0.9878 0.050 . 2 . . . . 27 ILE HG13 . 15470 1 262 . 1 1 27 27 ILE HG21 H 1 0.3518 0.050 . 1 . . . . 27 ILE HG2 . 15470 1 263 . 1 1 27 27 ILE HG22 H 1 0.3518 0.050 . 1 . . . . 27 ILE HG2 . 15470 1 264 . 1 1 27 27 ILE HG23 H 1 0.3518 0.050 . 1 . . . . 27 ILE HG2 . 15470 1 265 . 1 1 27 27 ILE C C 13 173.259 0.400 . 1 . . . . 27 ILE C . 15470 1 266 . 1 1 27 27 ILE N N 15 126.544 0.400 . 1 . . . . 27 ILE N . 15470 1 267 . 1 1 28 28 THR H H 1 8.3888 0.050 . 1 . . . . 28 THR H . 15470 1 268 . 1 1 28 28 THR HA H 1 4.8678 0.050 . 1 . . . . 28 THR HA . 15470 1 269 . 1 1 28 28 THR HB H 1 4.8228 0.050 . 1 . . . . 28 THR HB . 15470 1 270 . 1 1 28 28 THR HG21 H 1 1.2978 0.050 . 1 . . . . 28 THR HG2 . 15470 1 271 . 1 1 28 28 THR HG22 H 1 1.2978 0.050 . 1 . . . . 28 THR HG2 . 15470 1 272 . 1 1 28 28 THR HG23 H 1 1.2978 0.050 . 1 . . . . 28 THR HG2 . 15470 1 273 . 1 1 28 28 THR C C 13 173.729 0.400 . 1 . . . . 28 THR C . 15470 1 274 . 1 1 28 28 THR CA C 13 59.1738 0.400 . 1 . . . . 28 THR CA . 15470 1 275 . 1 1 28 28 THR CB C 13 72.1978 0.400 . 1 . . . . 28 THR CB . 15470 1 276 . 1 1 28 28 THR N N 15 115.935 0.400 . 1 . . . . 28 THR N . 15470 1 277 . 1 1 29 29 THR H H 1 9.1708 0.050 . 1 . . . . 29 THR H . 15470 1 278 . 1 1 29 29 THR HA H 1 3.7388 0.050 . 1 . . . . 29 THR HA . 15470 1 279 . 1 1 29 29 THR HB H 1 4.1838 0.050 . 1 . . . . 29 THR HB . 15470 1 280 . 1 1 29 29 THR HG21 H 1 1.1998 0.050 . 1 . . . . 29 THR HG2 . 15470 1 281 . 1 1 29 29 THR HG22 H 1 1.1998 0.050 . 1 . . . . 29 THR HG2 . 15470 1 282 . 1 1 29 29 THR HG23 H 1 1.1998 0.050 . 1 . . . . 29 THR HG2 . 15470 1 283 . 1 1 29 29 THR C C 13 174.376 0.400 . 1 . . . . 29 THR C . 15470 1 284 . 1 1 29 29 THR CA C 13 66.4158 0.400 . 1 . . . . 29 THR CA . 15470 1 285 . 1 1 29 29 THR CB C 13 68.1808 0.400 . 1 . . . . 29 THR CB . 15470 1 286 . 1 1 29 29 THR CG2 C 13 23.4908 0.400 . 1 . . . . 29 THR CG2 . 15470 1 287 . 1 1 29 29 THR N N 15 112.731 0.400 . 1 . . . . 29 THR N . 15470 1 288 . 1 1 30 30 LYS H H 1 7.6038 0.050 . 1 . . . . 30 LYS H . 15470 1 289 . 1 1 30 30 LYS HA H 1 4.1078 0.050 . 1 . . . . 30 LYS HA . 15470 1 290 . 1 1 30 30 LYS HB2 H 1 1.8228 0.050 . 2 . . . . 30 LYS HB2 . 15470 1 291 . 1 1 30 30 LYS HD2 H 1 1.6858 0.050 . 2 . . . . 30 LYS HD2 . 15470 1 292 . 1 1 30 30 LYS HE2 H 1 2.9798 0.050 . 2 . . . . 30 LYS HE2 . 15470 1 293 . 1 1 30 30 LYS HG2 H 1 1.4218 0.050 . 2 . . . . 30 LYS HG2 . 15470 1 294 . 1 1 30 30 LYS C C 13 177.096 0.400 . 1 . . . . 30 LYS C . 15470 1 295 . 1 1 30 30 LYS CA C 13 59.2648 0.400 . 1 . . . . 30 LYS CA . 15470 1 296 . 1 1 30 30 LYS CB C 13 32.4218 0.400 . 1 . . . . 30 LYS CB . 15470 1 297 . 1 1 30 30 LYS CD C 13 28.9608 0.400 . 1 . . . . 30 LYS CD . 15470 1 298 . 1 1 30 30 LYS CE C 13 41.8798 0.400 . 1 . . . . 30 LYS CE . 15470 1 299 . 1 1 30 30 LYS CG C 13 24.6968 0.400 . 1 . . . . 30 LYS CG . 15470 1 300 . 1 1 30 30 LYS N N 15 120.172 0.400 . 1 . . . . 30 LYS N . 15470 1 301 . 1 1 31 31 GLU H H 1 7.7168 0.050 . 1 . . . . 31 GLU H . 15470 1 302 . 1 1 31 31 GLU HA H 1 4.1198 0.050 . 1 . . . . 31 GLU HA . 15470 1 303 . 1 1 31 31 GLU HB2 H 1 2.7148 0.050 . 2 . . . . 31 GLU HB2 . 15470 1 304 . 1 1 31 31 GLU HG2 H 1 2.4038 0.050 . 2 . . . . 31 GLU HG2 . 15470 1 305 . 1 1 31 31 GLU C C 13 176.336 0.400 . 1 . . . . 31 GLU C . 15470 1 306 . 1 1 31 31 GLU CA C 13 59.5238 0.400 . 1 . . . . 31 GLU CA . 15470 1 307 . 1 1 31 31 GLU CG C 13 38.8128 0.400 . 1 . . . . 31 GLU CG . 15470 1 308 . 1 1 31 31 GLU N N 15 121.065 0.400 . 1 . . . . 31 GLU N . 15470 1 309 . 1 1 32 32 LEU H H 1 8.6388 0.050 . 1 . . . . 32 LEU H . 15470 1 310 . 1 1 32 32 LEU HA H 1 4.0978 0.050 . 1 . . . . 32 LEU HA . 15470 1 311 . 1 1 32 32 LEU HB2 H 1 1.8158 0.050 . 2 . . . . 32 LEU HB2 . 15470 1 312 . 1 1 32 32 LEU HB3 H 1 1.3948 0.050 . 2 . . . . 32 LEU HB3 . 15470 1 313 . 1 1 32 32 LEU HD11 H 1 0.6208 0.050 . 2 . . . . 32 LEU HD1 . 15470 1 314 . 1 1 32 32 LEU HD12 H 1 0.6208 0.050 . 2 . . . . 32 LEU HD1 . 15470 1 315 . 1 1 32 32 LEU HD13 H 1 0.6208 0.050 . 2 . . . . 32 LEU HD1 . 15470 1 316 . 1 1 32 32 LEU HD21 H 1 0.6018 0.050 . 2 . . . . 32 LEU HD2 . 15470 1 317 . 1 1 32 32 LEU HD22 H 1 0.6018 0.050 . 2 . . . . 32 LEU HD2 . 15470 1 318 . 1 1 32 32 LEU HD23 H 1 0.6018 0.050 . 2 . . . . 32 LEU HD2 . 15470 1 319 . 1 1 32 32 LEU HG H 1 0.5868 0.050 . 1 . . . . 32 LEU HG . 15470 1 320 . 1 1 32 32 LEU C C 13 176.129 0.400 . 1 . . . . 32 LEU C . 15470 1 321 . 1 1 32 32 LEU CA C 13 57.7408 0.400 . 1 . . . . 32 LEU CA . 15470 1 322 . 1 1 32 32 LEU CB C 13 42.2968 0.400 . 1 . . . . 32 LEU CB . 15470 1 323 . 1 1 32 32 LEU CD1 C 13 25.8618 0.400 . 2 . . . . 32 LEU CD1 . 15470 1 324 . 1 1 32 32 LEU CD2 C 13 23.5738 0.400 . 2 . . . . 32 LEU CD2 . 15470 1 325 . 1 1 32 32 LEU CG C 13 25.9618 0.400 . 1 . . . . 32 LEU CG . 15470 1 326 . 1 1 32 32 LEU N N 15 119.776 0.400 . 1 . . . . 32 LEU N . 15470 1 327 . 1 1 33 33 GLY H H 1 8.7038 0.050 . 1 . . . . 33 GLY H . 15470 1 328 . 1 1 33 33 GLY HA2 H 1 3.9738 0.050 . 2 . . . . 33 GLY HA2 . 15470 1 329 . 1 1 33 33 GLY HA3 H 1 3.5418 0.050 . 2 . . . . 33 GLY HA3 . 15470 1 330 . 1 1 33 33 GLY C C 13 172.329 0.400 . 1 . . . . 33 GLY C . 15470 1 331 . 1 1 33 33 GLY CA C 13 48.2338 0.400 . 1 . . . . 33 GLY CA . 15470 1 332 . 1 1 33 33 GLY N N 15 105.213 0.400 . 1 . . . . 33 GLY N . 15470 1 333 . 1 1 34 34 THR H H 1 7.9948 0.050 . 1 . . . . 34 THR H . 15470 1 334 . 1 1 34 34 THR HA H 1 3.9408 0.050 . 1 . . . . 34 THR HA . 15470 1 335 . 1 1 34 34 THR HB H 1 4.3668 0.050 . 1 . . . . 34 THR HB . 15470 1 336 . 1 1 34 34 THR HG21 H 1 1.2878 0.050 . 1 . . . . 34 THR HG2 . 15470 1 337 . 1 1 34 34 THR HG22 H 1 1.2878 0.050 . 1 . . . . 34 THR HG2 . 15470 1 338 . 1 1 34 34 THR HG23 H 1 1.2878 0.050 . 1 . . . . 34 THR HG2 . 15470 1 339 . 1 1 34 34 THR CA C 13 66.7648 0.400 . 1 . . . . 34 THR CA . 15470 1 340 . 1 1 34 34 THR CB C 13 68.6728 0.400 . 1 . . . . 34 THR CB . 15470 1 341 . 1 1 34 34 THR N N 15 117.782 0.400 . 1 . . . . 34 THR N . 15470 1 342 . 1 1 35 35 VAL H H 1 7.8458 0.050 . 1 . . . . 35 VAL H . 15470 1 343 . 1 1 35 35 VAL HA H 1 3.6148 0.050 . 1 . . . . 35 VAL HA . 15470 1 344 . 1 1 35 35 VAL HB H 1 2.0888 0.050 . 1 . . . . 35 VAL HB . 15470 1 345 . 1 1 35 35 VAL HG11 H 1 0.8688 0.050 . 2 . . . . 35 VAL HG1 . 15470 1 346 . 1 1 35 35 VAL HG12 H 1 0.8688 0.050 . 2 . . . . 35 VAL HG1 . 15470 1 347 . 1 1 35 35 VAL HG13 H 1 0.8688 0.050 . 2 . . . . 35 VAL HG1 . 15470 1 348 . 1 1 35 35 VAL HG21 H 1 0.5318 0.050 . 2 . . . . 35 VAL HG2 . 15470 1 349 . 1 1 35 35 VAL HG22 H 1 0.5318 0.050 . 2 . . . . 35 VAL HG2 . 15470 1 350 . 1 1 35 35 VAL HG23 H 1 0.5318 0.050 . 2 . . . . 35 VAL HG2 . 15470 1 351 . 1 1 35 35 VAL C C 13 176.416 0.400 . 1 . . . . 35 VAL C . 15470 1 352 . 1 1 35 35 VAL CA C 13 66.5858 0.400 . 1 . . . . 35 VAL CA . 15470 1 353 . 1 1 35 35 VAL CB C 13 31.4628 0.400 . 1 . . . . 35 VAL CB . 15470 1 354 . 1 1 35 35 VAL CG2 C 13 20.5538 0.400 . 2 . . . . 35 VAL CG2 . 15470 1 355 . 1 1 35 35 VAL N N 15 121.773 0.400 . 1 . . . . 35 VAL N . 15470 1 356 . 1 1 36 36 MET H H 1 8.6078 0.050 . 1 . . . . 36 MET H . 15470 1 357 . 1 1 36 36 MET HA H 1 4.1078 0.050 . 1 . . . . 36 MET HA . 15470 1 358 . 1 1 36 36 MET HB2 H 1 1.6478 0.050 . 2 . . . . 36 MET HB2 . 15470 1 359 . 1 1 36 36 MET HE1 H 1 1.8768 0.050 . 1 . . . . 36 MET HE . 15470 1 360 . 1 1 36 36 MET HE2 H 1 1.8768 0.050 . 1 . . . . 36 MET HE . 15470 1 361 . 1 1 36 36 MET HE3 H 1 1.8768 0.050 . 1 . . . . 36 MET HE . 15470 1 362 . 1 1 36 36 MET HG2 H 1 2.4908 0.050 . 2 . . . . 36 MET HG2 . 15470 1 363 . 1 1 36 36 MET C C 13 176.427 0.400 . 1 . . . . 36 MET C . 15470 1 364 . 1 1 36 36 MET CA C 13 59.0398 0.400 . 1 . . . . 36 MET CA . 15470 1 365 . 1 1 36 36 MET CE C 13 17.4538 0.400 . 1 . . . . 36 MET CE . 15470 1 366 . 1 1 36 36 MET CG C 13 32.9598 0.400 . 1 . . . . 36 MET CG . 15470 1 367 . 1 1 36 36 MET N N 15 117.819 0.400 . 1 . . . . 36 MET N . 15470 1 368 . 1 1 37 37 ARG H H 1 8.5168 0.050 . 1 . . . . 37 ARG H . 15470 1 369 . 1 1 37 37 ARG HA H 1 4.7788 0.050 . 1 . . . . 37 ARG HA . 15470 1 370 . 1 1 37 37 ARG HB2 H 1 1.9028 0.050 . 2 . . . . 37 ARG HB2 . 15470 1 371 . 1 1 37 37 ARG HD2 H 1 3.2908 0.050 . 2 . . . . 37 ARG HD2 . 15470 1 372 . 1 1 37 37 ARG HD3 H 1 3.1358 0.050 . 2 . . . . 37 ARG HD3 . 15470 1 373 . 1 1 37 37 ARG HG2 H 1 1.8178 0.050 . 2 . . . . 37 ARG HG2 . 15470 1 374 . 1 1 37 37 ARG C C 13 178.461 0.400 . 1 . . . . 37 ARG C . 15470 1 375 . 1 1 37 37 ARG CA C 13 59.2508 0.400 . 1 . . . . 37 ARG CA . 15470 1 376 . 1 1 37 37 ARG CB C 13 29.5288 0.400 . 1 . . . . 37 ARG CB . 15470 1 377 . 1 1 37 37 ARG CD C 13 43.3388 0.400 . 1 . . . . 37 ARG CD . 15470 1 378 . 1 1 37 37 ARG CG C 13 29.3938 0.400 . 1 . . . . 37 ARG CG . 15470 1 379 . 1 1 37 37 ARG N N 15 118.513 0.400 . 1 . . . . 37 ARG N . 15470 1 380 . 1 1 38 38 SER H H 1 7.9658 0.050 . 1 . . . . 38 SER H . 15470 1 381 . 1 1 38 38 SER HA H 1 4.4128 0.050 . 1 . . . . 38 SER HA . 15470 1 382 . 1 1 38 38 SER HB2 H 1 4.0548 0.050 . 2 . . . . 38 SER HB2 . 15470 1 383 . 1 1 38 38 SER C C 13 172.053 0.400 . 1 . . . . 38 SER C . 15470 1 384 . 1 1 38 38 SER CA C 13 61.2398 0.400 . 1 . . . . 38 SER CA . 15470 1 385 . 1 1 38 38 SER CB C 13 63.1948 0.400 . 1 . . . . 38 SER CB . 15470 1 386 . 1 1 38 38 SER N N 15 118.269 0.400 . 1 . . . . 38 SER N . 15470 1 387 . 1 1 39 39 LEU H H 1 7.4338 0.050 . 1 . . . . 39 LEU H . 15470 1 388 . 1 1 39 39 LEU HA H 1 4.4918 0.050 . 1 . . . . 39 LEU HA . 15470 1 389 . 1 1 39 39 LEU HB2 H 1 1.8358 0.050 . 2 . . . . 39 LEU HB2 . 15470 1 390 . 1 1 39 39 LEU HD11 H 1 0.8268 0.050 . 2 . . . . 39 LEU HD1 . 15470 1 391 . 1 1 39 39 LEU HD12 H 1 0.8268 0.050 . 2 . . . . 39 LEU HD1 . 15470 1 392 . 1 1 39 39 LEU HD13 H 1 0.8268 0.050 . 2 . . . . 39 LEU HD1 . 15470 1 393 . 1 1 39 39 LEU HD21 H 1 0.8108 0.050 . 2 . . . . 39 LEU HD2 . 15470 1 394 . 1 1 39 39 LEU HD22 H 1 0.8108 0.050 . 2 . . . . 39 LEU HD2 . 15470 1 395 . 1 1 39 39 LEU HD23 H 1 0.8108 0.050 . 2 . . . . 39 LEU HD2 . 15470 1 396 . 1 1 39 39 LEU HG H 1 0.8018 0.050 . 1 . . . . 39 LEU HG . 15470 1 397 . 1 1 39 39 LEU C C 13 174.161 0.400 . 1 . . . . 39 LEU C . 15470 1 398 . 1 1 39 39 LEU CA C 13 54.5358 0.400 . 1 . . . . 39 LEU CA . 15470 1 399 . 1 1 39 39 LEU CB C 13 42.0178 0.400 . 1 . . . . 39 LEU CB . 15470 1 400 . 1 1 39 39 LEU CD1 C 13 25.6788 0.400 . 2 . . . . 39 LEU CD1 . 15470 1 401 . 1 1 39 39 LEU CD2 C 13 22.4138 0.400 . 2 . . . . 39 LEU CD2 . 15470 1 402 . 1 1 39 39 LEU CG C 13 25.9148 0.400 . 1 . . . . 39 LEU CG . 15470 1 403 . 1 1 39 39 LEU N N 15 120.296 0.400 . 1 . . . . 39 LEU N . 15470 1 404 . 1 1 40 40 GLY H H 1 7.8938 0.050 . 1 . . . . 40 GLY H . 15470 1 405 . 1 1 40 40 GLY HA2 H 1 4.2518 0.050 . 2 . . . . 40 GLY HA2 . 15470 1 406 . 1 1 40 40 GLY HA3 H 1 3.7918 0.050 . 2 . . . . 40 GLY HA3 . 15470 1 407 . 1 1 40 40 GLY C C 13 171.564 0.400 . 1 . . . . 40 GLY C . 15470 1 408 . 1 1 40 40 GLY CA C 13 45.4398 0.400 . 1 . . . . 40 GLY CA . 15470 1 409 . 1 1 40 40 GLY N N 15 106.425 0.400 . 1 . . . . 40 GLY N . 15470 1 410 . 1 1 41 41 GLN H H 1 7.7978 0.050 . 1 . . . . 41 GLN H . 15470 1 411 . 1 1 41 41 GLN HA H 1 4.4858 0.050 . 1 . . . . 41 GLN HA . 15470 1 412 . 1 1 41 41 GLN HB2 H 1 1.6168 0.050 . 2 . . . . 41 GLN HB2 . 15470 1 413 . 1 1 41 41 GLN HE21 H 1 7.4098 0.050 . 2 . . . . 41 GLN HE21 . 15470 1 414 . 1 1 41 41 GLN HE22 H 1 6.7788 0.050 . 2 . . . . 41 GLN HE22 . 15470 1 415 . 1 1 41 41 GLN HG2 H 1 2.1668 0.050 . 2 . . . . 41 GLN HG2 . 15470 1 416 . 1 1 41 41 GLN HG3 H 1 2.1138 0.050 . 2 . . . . 41 GLN HG3 . 15470 1 417 . 1 1 41 41 GLN C C 13 171.332 0.400 . 1 . . . . 41 GLN C . 15470 1 418 . 1 1 41 41 GLN CA C 13 54.4658 0.400 . 1 . . . . 41 GLN CA . 15470 1 419 . 1 1 41 41 GLN CB C 13 30.6968 0.400 . 1 . . . . 41 GLN CB . 15470 1 420 . 1 1 41 41 GLN CG C 13 33.5098 0.400 . 1 . . . . 41 GLN CG . 15470 1 421 . 1 1 41 41 GLN N N 15 117.557 0.400 . 1 . . . . 41 GLN N . 15470 1 422 . 1 1 41 41 GLN NE2 N 15 110.556 0.400 . 1 . . . . 41 GLN NE2 . 15470 1 423 . 1 1 42 42 ASN H H 1 8.7018 0.050 . 1 . . . . 42 ASN H . 15470 1 424 . 1 1 42 42 ASN HA H 1 4.3298 0.050 . 1 . . . . 42 ASN HA . 15470 1 425 . 1 1 42 42 ASN HB2 H 1 2.6418 0.050 . 2 . . . . 42 ASN HB2 . 15470 1 426 . 1 1 42 42 ASN HD21 H 1 7.7668 0.050 . 2 . . . . 42 ASN HD21 . 15470 1 427 . 1 1 42 42 ASN HD22 H 1 6.9678 0.050 . 2 . . . . 42 ASN HD22 . 15470 1 428 . 1 1 42 42 ASN N N 15 116.151 0.400 . 1 . . . . 42 ASN N . 15470 1 429 . 1 1 42 42 ASN ND2 N 15 114.422 0.400 . 1 . . . . 42 ASN ND2 . 15470 1 430 . 1 1 43 43 PRO HA H 1 4.7228 0.050 . 1 . . . . 43 PRO HA . 15470 1 431 . 1 1 43 43 PRO HB2 H 1 1.9038 0.050 . 2 . . . . 43 PRO HB2 . 15470 1 432 . 1 1 43 43 PRO HD2 H 1 3.5758 0.050 . 2 . . . . 43 PRO HD2 . 15470 1 433 . 1 1 43 43 PRO HD3 H 1 3.2618 0.050 . 2 . . . . 43 PRO HD3 . 15470 1 434 . 1 1 43 43 PRO HG2 H 1 1.9418 0.050 . 2 . . . . 43 PRO HG2 . 15470 1 435 . 1 1 43 43 PRO C C 13 174.906 0.400 . 1 . . . . 43 PRO C . 15470 1 436 . 1 1 43 43 PRO CA C 13 61.9858 0.400 . 1 . . . . 43 PRO CA . 15470 1 437 . 1 1 43 43 PRO CB C 13 31.9148 0.400 . 1 . . . . 43 PRO CB . 15470 1 438 . 1 1 44 44 THR H H 1 8.6648 0.050 . 1 . . . . 44 THR H . 15470 1 439 . 1 1 44 44 THR HA H 1 4.4338 0.050 . 1 . . . . 44 THR HA . 15470 1 440 . 1 1 44 44 THR HB H 1 4.7188 0.050 . 1 . . . . 44 THR HB . 15470 1 441 . 1 1 44 44 THR HG21 H 1 1.4328 0.050 . 1 . . . . 44 THR HG2 . 15470 1 442 . 1 1 44 44 THR HG22 H 1 1.4328 0.050 . 1 . . . . 44 THR HG2 . 15470 1 443 . 1 1 44 44 THR HG23 H 1 1.4328 0.050 . 1 . . . . 44 THR HG2 . 15470 1 444 . 1 1 44 44 THR C C 13 172.336 0.400 . 1 . . . . 44 THR C . 15470 1 445 . 1 1 44 44 THR CA C 13 60.5658 0.400 . 1 . . . . 44 THR CA . 15470 1 446 . 1 1 44 44 THR CB C 13 70.7718 0.400 . 1 . . . . 44 THR CB . 15470 1 447 . 1 1 44 44 THR N N 15 112.272 0.400 . 1 . . . . 44 THR N . 15470 1 448 . 1 1 45 45 GLU H H 1 8.8228 0.050 . 1 . . . . 45 GLU H . 15470 1 449 . 1 1 45 45 GLU HA H 1 3.9828 0.050 . 1 . . . . 45 GLU HA . 15470 1 450 . 1 1 45 45 GLU HB2 H 1 1.4588 0.050 . 2 . . . . 45 GLU HB2 . 15470 1 451 . 1 1 45 45 GLU HG2 H 1 2.3548 0.050 . 2 . . . . 45 GLU HG2 . 15470 1 452 . 1 1 45 45 GLU C C 13 176.176 0.400 . 1 . . . . 45 GLU C . 15470 1 453 . 1 1 45 45 GLU CA C 13 59.9988 0.400 . 1 . . . . 45 GLU CA . 15470 1 454 . 1 1 45 45 GLU CB C 13 29.4078 0.400 . 1 . . . . 45 GLU CB . 15470 1 455 . 1 1 45 45 GLU CG C 13 36.3798 0.400 . 1 . . . . 45 GLU CG . 15470 1 456 . 1 1 45 45 GLU N N 15 120.212 0.400 . 1 . . . . 45 GLU N . 15470 1 457 . 1 1 46 46 ALA H H 1 8.2698 0.050 . 1 . . . . 46 ALA H . 15470 1 458 . 1 1 46 46 ALA HA H 1 4.0878 0.050 . 1 . . . . 46 ALA HA . 15470 1 459 . 1 1 46 46 ALA HB1 H 1 1.3958 0.050 . 1 . . . . 46 ALA HB . 15470 1 460 . 1 1 46 46 ALA HB2 H 1 1.3958 0.050 . 1 . . . . 46 ALA HB . 15470 1 461 . 1 1 46 46 ALA HB3 H 1 1.3958 0.050 . 1 . . . . 46 ALA HB . 15470 1 462 . 1 1 46 46 ALA C C 13 177.394 0.400 . 1 . . . . 46 ALA C . 15470 1 463 . 1 1 46 46 ALA CA C 13 55.0398 0.400 . 1 . . . . 46 ALA CA . 15470 1 464 . 1 1 46 46 ALA CB C 13 18.1898 0.400 . 1 . . . . 46 ALA CB . 15470 1 465 . 1 1 46 46 ALA N N 15 120.147 0.400 . 1 . . . . 46 ALA N . 15470 1 466 . 1 1 47 47 GLU H H 1 7.6948 0.050 . 1 . . . . 47 GLU H . 15470 1 467 . 1 1 47 47 GLU HA H 1 3.9848 0.050 . 1 . . . . 47 GLU HA . 15470 1 468 . 1 1 47 47 GLU HB2 H 1 1.8868 0.050 . 2 . . . . 47 GLU HB2 . 15470 1 469 . 1 1 47 47 GLU HG2 H 1 2.4058 0.050 . 2 . . . . 47 GLU HG2 . 15470 1 470 . 1 1 47 47 GLU C C 13 177.405 0.400 . 1 . . . . 47 GLU C . 15470 1 471 . 1 1 47 47 GLU CA C 13 58.9238 0.400 . 1 . . . . 47 GLU CA . 15470 1 472 . 1 1 47 47 GLU CB C 13 28.2468 0.400 . 1 . . . . 47 GLU CB . 15470 1 473 . 1 1 47 47 GLU CG C 13 33.9888 0.400 . 1 . . . . 47 GLU CG . 15470 1 474 . 1 1 47 47 GLU N N 15 118.332 0.400 . 1 . . . . 47 GLU N . 15470 1 475 . 1 1 48 48 LEU H H 1 8.1268 0.050 . 1 . . . . 48 LEU H . 15470 1 476 . 1 1 48 48 LEU HA H 1 4.0138 0.050 . 1 . . . . 48 LEU HA . 15470 1 477 . 1 1 48 48 LEU HB2 H 1 2.0508 0.050 . 2 . . . . 48 LEU HB2 . 15470 1 478 . 1 1 48 48 LEU HD11 H 1 0.7938 0.050 . 2 . . . . 48 LEU HD1 . 15470 1 479 . 1 1 48 48 LEU HD12 H 1 0.7938 0.050 . 2 . . . . 48 LEU HD1 . 15470 1 480 . 1 1 48 48 LEU HD13 H 1 0.7938 0.050 . 2 . . . . 48 LEU HD1 . 15470 1 481 . 1 1 48 48 LEU HD21 H 1 0.6978 0.050 . 2 . . . . 48 LEU HD2 . 15470 1 482 . 1 1 48 48 LEU HD22 H 1 0.6978 0.050 . 2 . . . . 48 LEU HD2 . 15470 1 483 . 1 1 48 48 LEU HD23 H 1 0.6978 0.050 . 2 . . . . 48 LEU HD2 . 15470 1 484 . 1 1 48 48 LEU HG H 1 1.0458 0.050 . 1 . . . . 48 LEU HG . 15470 1 485 . 1 1 48 48 LEU C C 13 175.752 0.400 . 1 . . . . 48 LEU C . 15470 1 486 . 1 1 48 48 LEU CA C 13 57.8508 0.400 . 1 . . . . 48 LEU CA . 15470 1 487 . 1 1 48 48 LEU CB C 13 42.1988 0.400 . 1 . . . . 48 LEU CB . 15470 1 488 . 1 1 48 48 LEU CG C 13 25.8498 0.400 . 1 . . . . 48 LEU CG . 15470 1 489 . 1 1 48 48 LEU N N 15 119.439 0.400 . 1 . . . . 48 LEU N . 15470 1 490 . 1 1 49 49 GLN H H 1 8.2468 0.050 . 1 . . . . 49 GLN H . 15470 1 491 . 1 1 49 49 GLN HA H 1 3.8418 0.050 . 1 . . . . 49 GLN HA . 15470 1 492 . 1 1 49 49 GLN HB2 H 1 1.8108 0.050 . 2 . . . . 49 GLN HB2 . 15470 1 493 . 1 1 49 49 GLN HE21 H 1 7.5158 0.050 . 2 . . . . 49 GLN HE21 . 15470 1 494 . 1 1 49 49 GLN HE22 H 1 6.9308 0.050 . 2 . . . . 49 GLN HE22 . 15470 1 495 . 1 1 49 49 GLN HG2 H 1 2.4358 0.050 . 2 . . . . 49 GLN HG2 . 15470 1 496 . 1 1 49 49 GLN C C 13 175.703 0.400 . 1 . . . . 49 GLN C . 15470 1 497 . 1 1 49 49 GLN CA C 13 59.1438 0.400 . 1 . . . . 49 GLN CA . 15470 1 498 . 1 1 49 49 GLN CG C 13 37.2758 0.400 . 1 . . . . 49 GLN CG . 15470 1 499 . 1 1 49 49 GLN N N 15 117.775 0.400 . 1 . . . . 49 GLN N . 15470 1 500 . 1 1 49 49 GLN NE2 N 15 112.455 0.400 . 1 . . . . 49 GLN NE2 . 15470 1 501 . 1 1 50 50 ASP H H 1 8.1208 0.050 . 1 . . . . 50 ASP H . 15470 1 502 . 1 1 50 50 ASP HA H 1 4.4378 0.050 . 1 . . . . 50 ASP HA . 15470 1 503 . 1 1 50 50 ASP HB2 H 1 2.8628 0.050 . 2 . . . . 50 ASP HB2 . 15470 1 504 . 1 1 50 50 ASP CA C 13 57.1128 0.400 . 1 . . . . 50 ASP CA . 15470 1 505 . 1 1 50 50 ASP CB C 13 40.0358 0.400 . 1 . . . . 50 ASP CB . 15470 1 506 . 1 1 50 50 ASP N N 15 119.405 0.400 . 1 . . . . 50 ASP N . 15470 1 507 . 1 1 51 51 MET H H 1 7.9218 0.050 . 1 . . . . 51 MET H . 15470 1 508 . 1 1 51 51 MET HA H 1 4.0798 0.050 . 1 . . . . 51 MET HA . 15470 1 509 . 1 1 51 51 MET HB2 H 1 1.9378 0.050 . 2 . . . . 51 MET HB2 . 15470 1 510 . 1 1 51 51 MET HB3 H 1 1.6278 0.050 . 2 . . . . 51 MET HB3 . 15470 1 511 . 1 1 51 51 MET HE1 H 1 1.6978 0.050 . 1 . . . . 51 MET HE . 15470 1 512 . 1 1 51 51 MET HE2 H 1 1.6978 0.050 . 1 . . . . 51 MET HE . 15470 1 513 . 1 1 51 51 MET HE3 H 1 1.6978 0.050 . 1 . . . . 51 MET HE . 15470 1 514 . 1 1 51 51 MET HG2 H 1 2.4078 0.050 . 2 . . . . 51 MET HG2 . 15470 1 515 . 1 1 51 51 MET HG3 H 1 2.1978 0.050 . 2 . . . . 51 MET HG3 . 15470 1 516 . 1 1 51 51 MET N N 15 118.728 0.400 . 1 . . . . 51 MET N . 15470 1 517 . 1 1 52 52 ILE H H 1 7.5878 0.050 . 1 . . . . 52 ILE H . 15470 1 518 . 1 1 52 52 ILE HA H 1 3.7538 0.050 . 1 . . . . 52 ILE HA . 15470 1 519 . 1 1 52 52 ILE HB H 1 2.0858 0.050 . 1 . . . . 52 ILE HB . 15470 1 520 . 1 1 52 52 ILE HD11 H 1 0.6988 0.050 . 1 . . . . 52 ILE HD1 . 15470 1 521 . 1 1 52 52 ILE HD12 H 1 0.6988 0.050 . 1 . . . . 52 ILE HD1 . 15470 1 522 . 1 1 52 52 ILE HD13 H 1 0.6988 0.050 . 1 . . . . 52 ILE HD1 . 15470 1 523 . 1 1 52 52 ILE HG12 H 1 1.5958 0.050 . 2 . . . . 52 ILE HG12 . 15470 1 524 . 1 1 52 52 ILE HG13 H 1 1.2778 0.050 . 2 . . . . 52 ILE HG13 . 15470 1 525 . 1 1 52 52 ILE HG21 H 1 0.7698 0.050 . 1 . . . . 52 ILE HG2 . 15470 1 526 . 1 1 52 52 ILE HG22 H 1 0.7698 0.050 . 1 . . . . 52 ILE HG2 . 15470 1 527 . 1 1 52 52 ILE HG23 H 1 0.7698 0.050 . 1 . . . . 52 ILE HG2 . 15470 1 528 . 1 1 52 52 ILE C C 13 174.965 0.400 . 1 . . . . 52 ILE C . 15470 1 529 . 1 1 52 52 ILE CA C 13 64.1228 0.400 . 1 . . . . 52 ILE CA . 15470 1 530 . 1 1 52 52 ILE CB C 13 36.377 0.400 . 1 . . . . 52 ILE CB . 15470 1 531 . 1 1 52 52 ILE CD1 C 13 11.4728 0.400 . 1 . . . . 52 ILE CD1 . 15470 1 532 . 1 1 52 52 ILE CG2 C 13 16.2578 0.400 . 1 . . . . 52 ILE CG2 . 15470 1 533 . 1 1 52 52 ILE N N 15 117.735 0.400 . 1 . . . . 52 ILE N . 15470 1 534 . 1 1 53 53 ASN H H 1 8.7088 0.050 . 1 . . . . 53 ASN H . 15470 1 535 . 1 1 53 53 ASN HA H 1 4.4348 0.050 . 1 . . . . 53 ASN HA . 15470 1 536 . 1 1 53 53 ASN HB2 H 1 2.9978 0.050 . 2 . . . . 53 ASN HB2 . 15470 1 537 . 1 1 53 53 ASN HB3 H 1 2.8708 0.050 . 2 . . . . 53 ASN HB3 . 15470 1 538 . 1 1 53 53 ASN HD21 H 1 7.8368 0.050 . 2 . . . . 53 ASN HD21 . 15470 1 539 . 1 1 53 53 ASN HD22 H 1 6.9718 0.050 . 2 . . . . 53 ASN HD22 . 15470 1 540 . 1 1 53 53 ASN C C 13 174.533 0.400 . 1 . . . . 53 ASN C . 15470 1 541 . 1 1 53 53 ASN CB C 13 37.9058 0.400 . 1 . . . . 53 ASN CB . 15470 1 542 . 1 1 53 53 ASN N N 15 117.691 0.400 . 1 . . . . 53 ASN N . 15470 1 543 . 1 1 53 53 ASN ND2 N 15 110.953 0.400 . 1 . . . . 53 ASN ND2 . 15470 1 544 . 1 1 54 54 GLU H H 1 7.6898 0.050 . 1 . . . . 54 GLU H . 15470 1 545 . 1 1 54 54 GLU HA H 1 4.0438 0.050 . 1 . . . . 54 GLU HA . 15470 1 546 . 1 1 54 54 GLU HB2 H 1 1.8668 0.050 . 2 . . . . 54 GLU HB2 . 15470 1 547 . 1 1 54 54 GLU HG2 H 1 2.3468 0.050 . 2 . . . . 54 GLU HG2 . 15470 1 548 . 1 1 54 54 GLU CA C 13 58.6148 0.400 . 1 . . . . 54 GLU CA . 15470 1 549 . 1 1 54 54 GLU CG C 13 35.9758 0.400 . 1 . . . . 54 GLU CG . 15470 1 550 . 1 1 54 54 GLU N N 15 115.838 0.400 . 1 . . . . 54 GLU N . 15470 1 551 . 1 1 55 55 VAL H H 1 7.2148 0.050 . 1 . . . . 55 VAL H . 15470 1 552 . 1 1 55 55 VAL HA H 1 4.2588 0.050 . 1 . . . . 55 VAL HA . 15470 1 553 . 1 1 55 55 VAL HB H 1 2.1608 0.050 . 1 . . . . 55 VAL HB . 15470 1 554 . 1 1 55 55 VAL HG11 H 1 0.8278 0.050 . 2 . . . . 55 VAL HG1 . 15470 1 555 . 1 1 55 55 VAL HG12 H 1 0.8278 0.050 . 2 . . . . 55 VAL HG1 . 15470 1 556 . 1 1 55 55 VAL HG13 H 1 0.8278 0.050 . 2 . . . . 55 VAL HG1 . 15470 1 557 . 1 1 55 55 VAL HG21 H 1 0.8788 0.050 . 2 . . . . 55 VAL HG2 . 15470 1 558 . 1 1 55 55 VAL HG22 H 1 0.8788 0.050 . 2 . . . . 55 VAL HG2 . 15470 1 559 . 1 1 55 55 VAL HG23 H 1 0.8788 0.050 . 2 . . . . 55 VAL HG2 . 15470 1 560 . 1 1 55 55 VAL C C 13 172.915 0.400 . 1 . . . . 55 VAL C . 15470 1 561 . 1 1 55 55 VAL CA C 13 60.9138 0.400 . 1 . . . . 55 VAL CA . 15470 1 562 . 1 1 55 55 VAL CG1 C 13 22.5128 0.400 . 2 . . . . 55 VAL CG1 . 15470 1 563 . 1 1 55 55 VAL CG2 C 13 20.8048 0.400 . 2 . . . . 55 VAL CG2 . 15470 1 564 . 1 1 55 55 VAL N N 15 110.912 0.400 . 1 . . . . 55 VAL N . 15470 1 565 . 1 1 56 56 ASP H H 1 7.7608 0.050 . 1 . . . . 56 ASP H . 15470 1 566 . 1 1 56 56 ASP HA H 1 4.5098 0.050 . 1 . . . . 56 ASP HA . 15470 1 567 . 1 1 56 56 ASP HB2 H 1 3.0068 0.050 . 2 . . . . 56 ASP HB2 . 15470 1 568 . 1 1 56 56 ASP HB3 H 1 2.7238 0.050 . 2 . . . . 56 ASP HB3 . 15470 1 569 . 1 1 56 56 ASP C C 13 173.361 0.400 . 1 . . . . 56 ASP C . 15470 1 570 . 1 1 56 56 ASP CA C 13 53.8648 0.400 . 1 . . . . 56 ASP CA . 15470 1 571 . 1 1 56 56 ASP CB C 13 40.1588 0.400 . 1 . . . . 56 ASP CB . 15470 1 572 . 1 1 56 56 ASP N N 15 120.629 0.400 . 1 . . . . 56 ASP N . 15470 1 573 . 1 1 57 57 ALA H H 1 8.2438 0.050 . 1 . . . . 57 ALA H . 15470 1 574 . 1 1 57 57 ALA HA H 1 4.2228 0.050 . 1 . . . . 57 ALA HA . 15470 1 575 . 1 1 57 57 ALA HB1 H 1 1.5318 0.050 . 1 . . . . 57 ALA HB . 15470 1 576 . 1 1 57 57 ALA HB2 H 1 1.5318 0.050 . 1 . . . . 57 ALA HB . 15470 1 577 . 1 1 57 57 ALA HB3 H 1 1.5318 0.050 . 1 . . . . 57 ALA HB . 15470 1 578 . 1 1 57 57 ALA C C 13 175.842 0.400 . 1 . . . . 57 ALA C . 15470 1 579 . 1 1 57 57 ALA CA C 13 54.2908 0.400 . 1 . . . . 57 ALA CA . 15470 1 580 . 1 1 57 57 ALA CB C 13 19.4558 0.400 . 1 . . . . 57 ALA CB . 15470 1 581 . 1 1 57 57 ALA N N 15 131.226 0.400 . 1 . . . . 57 ALA N . 15470 1 582 . 1 1 58 58 ASP H H 1 8.2578 0.050 . 1 . . . . 58 ASP H . 15470 1 583 . 1 1 58 58 ASP HA H 1 4.6198 0.050 . 1 . . . . 58 ASP HA . 15470 1 584 . 1 1 58 58 ASP HB2 H 1 3.0668 0.050 . 2 . . . . 58 ASP HB2 . 15470 1 585 . 1 1 58 58 ASP HB3 H 1 2.6918 0.050 . 2 . . . . 58 ASP HB3 . 15470 1 586 . 1 1 58 58 ASP C C 13 175.471 0.400 . 1 . . . . 58 ASP C . 15470 1 587 . 1 1 58 58 ASP CA C 13 52.7878 0.400 . 1 . . . . 58 ASP CA . 15470 1 588 . 1 1 58 58 ASP CB C 13 39.7758 0.400 . 1 . . . . 58 ASP CB . 15470 1 589 . 1 1 58 58 ASP N N 15 113.496 0.400 . 1 . . . . 58 ASP N . 15470 1 590 . 1 1 59 59 GLY H H 1 7.6128 0.050 . 1 . . . . 59 GLY H . 15470 1 591 . 1 1 59 59 GLY HA2 H 1 3.8788 0.050 . 2 . . . . 59 GLY HA2 . 15470 1 592 . 1 1 59 59 GLY HA3 H 1 3.8278 0.050 . 2 . . . . 59 GLY HA3 . 15470 1 593 . 1 1 59 59 GLY C C 13 172.107 0.400 . 1 . . . . 59 GLY C . 15470 1 594 . 1 1 59 59 GLY CA C 13 46.9268 0.400 . 1 . . . . 59 GLY CA . 15470 1 595 . 1 1 59 59 GLY N N 15 108.087 0.400 . 1 . . . . 59 GLY N . 15470 1 596 . 1 1 60 60 ASN H H 1 8.1948 0.050 . 1 . . . . 60 ASN H . 15470 1 597 . 1 1 60 60 ASN HA H 1 4.6068 0.050 . 1 . . . . 60 ASN HA . 15470 1 598 . 1 1 60 60 ASN HB2 H 1 3.3368 0.050 . 2 . . . . 60 ASN HB2 . 15470 1 599 . 1 1 60 60 ASN HB3 H 1 2.6538 0.050 . 2 . . . . 60 ASN HB3 . 15470 1 600 . 1 1 60 60 ASN C C 13 174.007 0.400 . 1 . . . . 60 ASN C . 15470 1 601 . 1 1 60 60 ASN CB C 13 37.6628 0.400 . 1 . . . . 60 ASN CB . 15470 1 602 . 1 1 60 60 ASN N N 15 118.324 0.400 . 1 . . . . 60 ASN N . 15470 1 603 . 1 1 61 61 GLY H H 1 10.5728 0.050 . 1 . . . . 61 GLY H . 15470 1 604 . 1 1 61 61 GLY HA2 H 1 4.2558 0.050 . 2 . . . . 61 GLY HA2 . 15470 1 605 . 1 1 61 61 GLY HA3 H 1 3.4938 0.050 . 2 . . . . 61 GLY HA3 . 15470 1 606 . 1 1 61 61 GLY C C 13 170.445 0.400 . 1 . . . . 61 GLY C . 15470 1 607 . 1 1 61 61 GLY CA C 13 45.4348 0.400 . 1 . . . . 61 GLY CA . 15470 1 608 . 1 1 61 61 GLY N N 15 112.871 0.400 . 1 . . . . 61 GLY N . 15470 1 609 . 1 1 62 62 THR H H 1 7.6938 0.050 . 1 . . . . 62 THR H . 15470 1 610 . 1 1 62 62 THR HA H 1 4.7958 0.050 . 1 . . . . 62 THR HA . 15470 1 611 . 1 1 62 62 THR HB H 1 4.0208 0.050 . 1 . . . . 62 THR HB . 15470 1 612 . 1 1 62 62 THR HG21 H 1 1.1598 0.050 . 1 . . . . 62 THR HG2 . 15470 1 613 . 1 1 62 62 THR HG22 H 1 1.1598 0.050 . 1 . . . . 62 THR HG2 . 15470 1 614 . 1 1 62 62 THR HG23 H 1 1.1598 0.050 . 1 . . . . 62 THR HG2 . 15470 1 615 . 1 1 62 62 THR C C 13 170.378 0.400 . 1 . . . . 62 THR C . 15470 1 616 . 1 1 62 62 THR CB C 13 72.1128 0.400 . 1 . . . . 62 THR CB . 15470 1 617 . 1 1 62 62 THR CG2 C 13 22.1088 0.400 . 1 . . . . 62 THR CG2 . 15470 1 618 . 1 1 62 62 THR N N 15 108.099 0.400 . 1 . . . . 62 THR N . 15470 1 619 . 1 1 63 63 ILE H H 1 8.8238 0.050 . 1 . . . . 63 ILE H . 15470 1 620 . 1 1 63 63 ILE HA H 1 5.2228 0.050 . 1 . . . . 63 ILE HA . 15470 1 621 . 1 1 63 63 ILE HB H 1 2.1488 0.050 . 1 . . . . 63 ILE HB . 15470 1 622 . 1 1 63 63 ILE HD11 H 1 0.3718 0.050 . 1 . . . . 63 ILE HD1 . 15470 1 623 . 1 1 63 63 ILE HD12 H 1 0.3718 0.050 . 1 . . . . 63 ILE HD1 . 15470 1 624 . 1 1 63 63 ILE HD13 H 1 0.3718 0.050 . 1 . . . . 63 ILE HD1 . 15470 1 625 . 1 1 63 63 ILE HG13 H 1 0.9158 0.050 . 2 . . . . 63 ILE HG13 . 15470 1 626 . 1 1 63 63 ILE HG21 H 1 1.1978 0.050 . 1 . . . . 63 ILE HG2 . 15470 1 627 . 1 1 63 63 ILE HG22 H 1 1.1978 0.050 . 1 . . . . 63 ILE HG2 . 15470 1 628 . 1 1 63 63 ILE HG23 H 1 1.1978 0.050 . 1 . . . . 63 ILE HG2 . 15470 1 629 . 1 1 63 63 ILE C C 13 172.687 0.400 . 1 . . . . 63 ILE C . 15470 1 630 . 1 1 63 63 ILE CA C 13 58.9958 0.400 . 1 . . . . 63 ILE CA . 15470 1 631 . 1 1 63 63 ILE CD1 C 13 15.3698 0.400 . 1 . . . . 63 ILE CD1 . 15470 1 632 . 1 1 63 63 ILE CG1 C 13 27.365 0.400 . 1 . . . . 63 ILE CG1 . 15470 1 633 . 1 1 63 63 ILE CG2 C 13 18.3588 0.400 . 1 . . . . 63 ILE CG2 . 15470 1 634 . 1 1 63 63 ILE N N 15 123.323 0.400 . 1 . . . . 63 ILE N . 15470 1 635 . 1 1 64 64 ASP H H 1 8.8928 0.050 . 1 . . . . 64 ASP H . 15470 1 636 . 1 1 64 64 ASP HA H 1 5.4908 0.050 . 1 . . . . 64 ASP HA . 15470 1 637 . 1 1 64 64 ASP HB2 H 1 3.1518 0.050 . 2 . . . . 64 ASP HB2 . 15470 1 638 . 1 1 64 64 ASP HB3 H 1 2.8708 0.050 . 2 . . . . 64 ASP HB3 . 15470 1 639 . 1 1 64 64 ASP C C 13 173.494 0.400 . 1 . . . . 64 ASP C . 15470 1 640 . 1 1 64 64 ASP CA C 13 51.8118 0.400 . 1 . . . . 64 ASP CA . 15470 1 641 . 1 1 64 64 ASP CB C 13 42.2468 0.400 . 1 . . . . 64 ASP CB . 15470 1 642 . 1 1 64 64 ASP N N 15 127.718 0.400 . 1 . . . . 64 ASP N . 15470 1 643 . 1 1 65 65 PHE H H 1 8.9878 0.050 . 1 . . . . 65 PHE H . 15470 1 644 . 1 1 65 65 PHE HA H 1 3.7838 0.050 . 1 . . . . 65 PHE HA . 15470 1 645 . 1 1 65 65 PHE HB2 H 1 2.8208 0.050 . 2 . . . . 65 PHE HB2 . 15470 1 646 . 1 1 65 65 PHE HB3 H 1 2.0848 0.050 . 2 . . . . 65 PHE HB3 . 15470 1 647 . 1 1 65 65 PHE HD1 H 1 6.7628 0.050 . 3 . . . . 65 PHE HD1 . 15470 1 648 . 1 1 65 65 PHE HD2 H 1 6.7628 0.050 . 3 . . . . 65 PHE HD2 . 15470 1 649 . 1 1 65 65 PHE HE1 H 1 7.2108 0.050 . 3 . . . . 65 PHE HE1 . 15470 1 650 . 1 1 65 65 PHE HE2 H 1 7.2108 0.050 . 3 . . . . 65 PHE HE2 . 15470 1 651 . 1 1 65 65 PHE CB C 13 35.6308 0.400 . 1 . . . . 65 PHE CB . 15470 1 652 . 1 1 65 65 PHE CD1 C 13 129.971 0.400 . 3 . . . . 65 PHE CD1 . 15470 1 653 . 1 1 65 65 PHE CD2 C 13 129.971 0.400 . 3 . . . . 65 PHE CD2 . 15470 1 654 . 1 1 65 65 PHE CE1 C 13 128.531 0.400 . 3 . . . . 65 PHE CE1 . 15470 1 655 . 1 1 65 65 PHE CE2 C 13 128.531 0.400 . 3 . . . . 65 PHE CE2 . 15470 1 656 . 1 1 65 65 PHE N N 15 118.282 0.400 . 1 . . . . 65 PHE N . 15470 1 657 . 1 1 66 66 PRO HA H 1 3.8528 0.050 . 1 . . . . 66 PRO HA . 15470 1 658 . 1 1 66 66 PRO HB2 H 1 2.1578 0.050 . 2 . . . . 66 PRO HB2 . 15470 1 659 . 1 1 66 66 PRO HB3 H 1 1.8038 0.050 . 2 . . . . 66 PRO HB3 . 15470 1 660 . 1 1 66 66 PRO HD2 H 1 3.7078 0.050 . 2 . . . . 66 PRO HD2 . 15470 1 661 . 1 1 66 66 PRO HG2 H 1 1.3648 0.050 . 2 . . . . 66 PRO HG2 . 15470 1 662 . 1 1 67 67 GLU H H 1 8.1738 0.050 . 1 . . . . 67 GLU H . 15470 1 663 . 1 1 67 67 GLU HA H 1 4.4498 0.050 . 1 . . . . 67 GLU HA . 15470 1 664 . 1 1 67 67 GLU HB2 H 1 1.7678 0.050 . 1 . . . . 67 GLU HB . 15470 1 665 . 1 1 67 67 GLU HB3 H 1 1.7678 0.050 . 1 . . . . 67 GLU HB . 15470 1 666 . 1 1 67 67 GLU HG2 H 1 2.6078 0.050 . 1 . . . . 67 GLU HG2 . 15470 1 667 . 1 1 67 67 GLU HG3 H 1 2.2878 0.050 . 1 . . . . 67 GLU HG3 . 15470 1 668 . 1 1 67 67 GLU N N 15 116.980 0.400 . 1 . . . . 67 GLU N . 15470 1 669 . 1 1 68 68 PHE H H 1 8.6708 0.050 . 1 . . . . 68 PHE H . 15470 1 670 . 1 1 68 68 PHE HA H 1 3.6278 0.050 . 1 . . . . 68 PHE HA . 15470 1 671 . 1 1 68 68 PHE HB2 H 1 3.1278 0.050 . 2 . . . . 68 PHE HB2 . 15470 1 672 . 1 1 68 68 PHE HB3 H 1 2.8278 0.050 . 2 . . . . 68 PHE HB3 . 15470 1 673 . 1 1 68 68 PHE HD1 H 1 6.9108 0.050 . 3 . . . . 68 PHE HD1 . 15470 1 674 . 1 1 68 68 PHE HD2 H 1 6.9108 0.050 . 3 . . . . 68 PHE HD2 . 15470 1 675 . 1 1 68 68 PHE HE1 H 1 7.1818 0.050 . 3 . . . . 68 PHE HE1 . 15470 1 676 . 1 1 68 68 PHE HE2 H 1 7.1818 0.050 . 3 . . . . 68 PHE HE2 . 15470 1 677 . 1 1 68 68 PHE CD1 C 13 129.642 0.400 . 3 . . . . 68 PHE CD1 . 15470 1 678 . 1 1 68 68 PHE CD2 C 13 129.642 0.400 . 3 . . . . 68 PHE CD2 . 15470 1 679 . 1 1 68 68 PHE CE1 C 13 129.082 0.400 . 3 . . . . 68 PHE CE1 . 15470 1 680 . 1 1 68 68 PHE CE2 C 13 129.082 0.400 . 3 . . . . 68 PHE CE2 . 15470 1 681 . 1 1 68 68 PHE N N 15 122.872 0.400 . 1 . . . . 68 PHE N . 15470 1 682 . 1 1 69 69 LEU H H 1 8.6748 0.050 . 1 . . . . 69 LEU H . 15470 1 683 . 1 1 69 69 LEU HA H 1 3.9398 0.050 . 1 . . . . 69 LEU HA . 15470 1 684 . 1 1 69 69 LEU HB2 H 1 1.3058 0.050 . 2 . . . . 69 LEU HB2 . 15470 1 685 . 1 1 69 69 LEU HD11 H 1 0.8388 0.050 . 2 . . . . 69 LEU HD1 . 15470 1 686 . 1 1 69 69 LEU HD12 H 1 0.8388 0.050 . 2 . . . . 69 LEU HD1 . 15470 1 687 . 1 1 69 69 LEU HD13 H 1 0.8388 0.050 . 2 . . . . 69 LEU HD1 . 15470 1 688 . 1 1 69 69 LEU HD21 H 1 0.0638 0.050 . 2 . . . . 69 LEU HD2 . 15470 1 689 . 1 1 69 69 LEU HD22 H 1 0.0638 0.050 . 2 . . . . 69 LEU HD2 . 15470 1 690 . 1 1 69 69 LEU HD23 H 1 0.0638 0.050 . 2 . . . . 69 LEU HD2 . 15470 1 691 . 1 1 69 69 LEU HG H 1 0.6778 0.050 . 1 . . . . 69 LEU HG . 15470 1 692 . 1 1 69 69 LEU CB C 13 38.6428 0.400 . 1 . . . . 69 LEU CB . 15470 1 693 . 1 1 69 69 LEU CD1 C 13 25.5958 0.400 . 2 . . . . 69 LEU CD1 . 15470 1 694 . 1 1 69 69 LEU N N 15 119.155 0.400 . 1 . . . . 69 LEU N . 15470 1 695 . 1 1 70 70 THR H H 1 7.5458 0.050 . 1 . . . . 70 THR H . 15470 1 696 . 1 1 70 70 THR HA H 1 3.4478 0.050 . 1 . . . . 70 THR HA . 15470 1 697 . 1 1 70 70 THR HB H 1 4.1948 0.050 . 1 . . . . 70 THR HB . 15470 1 698 . 1 1 70 70 THR HG21 H 1 1.2488 0.050 . 1 . . . . 70 THR HG2 . 15470 1 699 . 1 1 70 70 THR HG22 H 1 1.2488 0.050 . 1 . . . . 70 THR HG2 . 15470 1 700 . 1 1 70 70 THR HG23 H 1 1.2488 0.050 . 1 . . . . 70 THR HG2 . 15470 1 701 . 1 1 70 70 THR CB C 13 67.8278 0.400 . 1 . . . . 70 THR CB . 15470 1 702 . 1 1 70 70 THR N N 15 114.017 0.400 . 1 . . . . 70 THR N . 15470 1 703 . 1 1 71 71 MET H H 1 7.6178 0.050 . 1 . . . . 71 MET H . 15470 1 704 . 1 1 71 71 MET HA H 1 3.4178 0.050 . 1 . . . . 71 MET HA . 15470 1 705 . 1 1 71 71 MET HB2 H 1 1.7678 0.050 . 2 . . . . 71 MET HB2 . 15470 1 706 . 1 1 71 71 MET HE1 H 1 1.3978 0.050 . 1 . . . . 71 MET HE . 15470 1 707 . 1 1 71 71 MET HE2 H 1 1.3978 0.050 . 1 . . . . 71 MET HE . 15470 1 708 . 1 1 71 71 MET HE3 H 1 1.3978 0.050 . 1 . . . . 71 MET HE . 15470 1 709 . 1 1 71 71 MET HG2 H 1 2.0978 0.050 . 2 . . . . 71 MET HG2 . 15470 1 710 . 1 1 71 71 MET N N 15 119.160 0.400 . 1 . . . . 71 MET N . 15470 1 711 . 1 1 72 72 MET H H 1 8.1888 0.050 . 1 . . . . 72 MET H . 15470 1 712 . 1 1 72 72 MET HA H 1 3.6478 0.050 . 1 . . . . 72 MET HA . 15470 1 713 . 1 1 72 72 MET HB2 H 1 1.0678 0.050 . 2 . . . . 72 MET HB2 . 15470 1 714 . 1 1 72 72 MET HB3 H 1 0.9978 0.050 . 2 . . . . 72 MET HB3 . 15470 1 715 . 1 1 72 72 MET HG2 H 1 1.4578 0.050 . 2 . . . . 72 MET HG2 . 15470 1 716 . 1 1 72 72 MET HG3 H 1 1.3778 0.050 . 2 . . . . 72 MET HG3 . 15470 1 717 . 1 1 72 72 MET C C 13 175.697 0.400 . 1 . . . . 72 MET C . 15470 1 718 . 1 1 72 72 MET CA C 13 60.0268 0.400 . 1 . . . . 72 MET CA . 15470 1 719 . 1 1 72 72 MET CG C 13 31.9708 0.400 . 1 . . . . 72 MET CG . 15470 1 720 . 1 1 72 72 MET N N 15 115.879 0.400 . 1 . . . . 72 MET N . 15470 1 721 . 1 1 73 73 ALA H H 1 7.8968 0.050 . 1 . . . . 73 ALA H . 15470 1 722 . 1 1 73 73 ALA HA H 1 4.0248 0.050 . 1 . . . . 73 ALA HA . 15470 1 723 . 1 1 73 73 ALA HB1 H 1 1.3728 0.050 . 1 . . . . 73 ALA HB . 15470 1 724 . 1 1 73 73 ALA HB2 H 1 1.3728 0.050 . 1 . . . . 73 ALA HB . 15470 1 725 . 1 1 73 73 ALA HB3 H 1 1.3728 0.050 . 1 . . . . 73 ALA HB . 15470 1 726 . 1 1 73 73 ALA C C 13 177.075 0.400 . 1 . . . . 73 ALA C . 15470 1 727 . 1 1 73 73 ALA CB C 13 18.2718 0.400 . 1 . . . . 73 ALA CB . 15470 1 728 . 1 1 73 73 ALA N N 15 120.060 0.400 . 1 . . . . 73 ALA N . 15470 1 729 . 1 1 74 74 ARG H H 1 7.4768 0.050 . 1 . . . . 74 ARG H . 15470 1 730 . 1 1 74 74 ARG HA H 1 3.7378 0.050 . 1 . . . . 74 ARG HA . 15470 1 731 . 1 1 74 74 ARG HB2 H 1 1.4878 0.050 . 2 . . . . 74 ARG HB2 . 15470 1 732 . 1 1 74 74 ARG HB3 H 1 1.3178 0.050 . 2 . . . . 74 ARG HB3 . 15470 1 733 . 1 1 74 74 ARG HD2 H 1 2.7378 0.050 . 2 . . . . 74 ARG HD2 . 15470 1 734 . 1 1 74 74 ARG HG2 H 1 1.0778 0.050 . 2 . . . . 74 ARG HG2 . 15470 1 735 . 1 1 74 74 ARG C C 13 175.040 0.400 . 1 . . . . 74 ARG C . 15470 1 736 . 1 1 74 74 ARG CD C 13 43.7328 0.400 . 1 . . . . 74 ARG CD . 15470 1 737 . 1 1 74 74 ARG CG C 13 27.3618 0.400 . 1 . . . . 74 ARG CG . 15470 1 738 . 1 1 74 74 ARG N N 15 116.115 0.400 . 1 . . . . 74 ARG N . 15470 1 739 . 1 1 75 75 LYS H H 1 7.7728 0.050 . 1 . . . . 75 LYS H . 15470 1 740 . 1 1 75 75 LYS HA H 1 3.9348 0.050 . 1 . . . . 75 LYS HA . 15470 1 741 . 1 1 75 75 LYS HB2 H 1 1.8288 0.050 . 2 . . . . 75 LYS HB2 . 15470 1 742 . 1 1 75 75 LYS HD2 H 1 1.6878 0.050 . 2 . . . . 75 LYS HD2 . 15470 1 743 . 1 1 75 75 LYS HE2 H 1 3.5488 0.050 . 2 . . . . 75 LYS HE2 . 15470 1 744 . 1 1 75 75 LYS HG2 H 1 1.4908 0.050 . 2 . . . . 75 LYS HG2 . 15470 1 745 . 1 1 75 75 LYS C C 13 174.877 0.400 . 1 . . . . 75 LYS C . 15470 1 746 . 1 1 75 75 LYS CE C 13 40.7878 0.400 . 1 . . . . 75 LYS CE . 15470 1 747 . 1 1 75 75 LYS N N 15 118.389 0.400 . 1 . . . . 75 LYS N . 15470 1 748 . 1 1 76 76 MET H H 1 7.9748 0.050 . 1 . . . . 76 MET H . 15470 1 749 . 1 1 76 76 MET HA H 1 4.3438 0.050 . 1 . . . . 76 MET HA . 15470 1 750 . 1 1 76 76 MET HB2 H 1 2.1528 0.050 . 2 . . . . 76 MET HB2 . 15470 1 751 . 1 1 76 76 MET HB3 H 1 2.1098 0.050 . 2 . . . . 76 MET HB3 . 15470 1 752 . 1 1 76 76 MET HE1 H 1 2.0868 0.050 . 1 . . . . 76 MET HE . 15470 1 753 . 1 1 76 76 MET HE2 H 1 2.0868 0.050 . 1 . . . . 76 MET HE . 15470 1 754 . 1 1 76 76 MET HE3 H 1 2.0868 0.050 . 1 . . . . 76 MET HE . 15470 1 755 . 1 1 76 76 MET HG2 H 1 2.6608 0.050 . 2 . . . . 76 MET HG2 . 15470 1 756 . 1 1 76 76 MET HG3 H 1 2.6188 0.050 . 2 . . . . 76 MET HG3 . 15470 1 757 . 1 1 76 76 MET C C 13 173.683 0.400 . 1 . . . . 76 MET C . 15470 1 758 . 1 1 76 76 MET CA C 13 56.4598 0.400 . 1 . . . . 76 MET CA . 15470 1 759 . 1 1 76 76 MET CE C 13 17.0608 0.400 . 1 . . . . 76 MET CE . 15470 1 760 . 1 1 76 76 MET CG C 13 32.1808 0.400 . 1 . . . . 76 MET CG . 15470 1 761 . 1 1 76 76 MET N N 15 117.535 0.400 . 1 . . . . 76 MET N . 15470 1 762 . 1 1 77 77 LYS H H 1 7.7548 0.050 . 1 . . . . 77 LYS H . 15470 1 763 . 1 1 77 77 LYS HA H 1 4.2988 0.050 . 1 . . . . 77 LYS HA . 15470 1 764 . 1 1 77 77 LYS HB2 H 1 1.8628 0.050 . 2 . . . . 77 LYS HB2 . 15470 1 765 . 1 1 77 77 LYS HB3 H 1 1.8208 0.050 . 2 . . . . 77 LYS HB3 . 15470 1 766 . 1 1 77 77 LYS HD2 H 1 1.6868 0.050 . 2 . . . . 77 LYS HD2 . 15470 1 767 . 1 1 77 77 LYS HE2 H 1 2.9838 0.050 . 2 . . . . 77 LYS HE2 . 15470 1 768 . 1 1 77 77 LYS HG2 H 1 1.4828 0.050 . 2 . . . . 77 LYS HG2 . 15470 1 769 . 1 1 77 77 LYS C C 13 173.704 0.400 . 1 . . . . 77 LYS C . 15470 1 770 . 1 1 77 77 LYS CA C 13 56.8018 0.400 . 1 . . . . 77 LYS CA . 15470 1 771 . 1 1 77 77 LYS CB C 13 32.7798 0.400 . 1 . . . . 77 LYS CB . 15470 1 772 . 1 1 77 77 LYS CD C 13 28.8688 0.400 . 1 . . . . 77 LYS CD . 15470 1 773 . 1 1 77 77 LYS CE C 13 41.9038 0.400 . 1 . . . . 77 LYS CE . 15470 1 774 . 1 1 77 77 LYS CG C 13 24.5088 0.400 . 1 . . . . 77 LYS CG . 15470 1 775 . 1 1 77 77 LYS N N 15 119.562 0.400 . 1 . . . . 77 LYS N . 15470 1 776 . 1 1 78 78 ASP H H 1 8.1648 0.050 . 1 . . . . 78 ASP H . 15470 1 777 . 1 1 78 78 ASP HA H 1 4.7048 0.050 . 1 . . . . 78 ASP HA . 15470 1 778 . 1 1 78 78 ASP HB2 H 1 2.8028 0.050 . 2 . . . . 78 ASP HB2 . 15470 1 779 . 1 1 78 78 ASP HB3 H 1 2.7438 0.050 . 2 . . . . 78 ASP HB3 . 15470 1 780 . 1 1 78 78 ASP C C 13 173.716 0.400 . 1 . . . . 78 ASP C . 15470 1 781 . 1 1 78 78 ASP CA C 13 54.3988 0.400 . 1 . . . . 78 ASP CA . 15470 1 782 . 1 1 78 78 ASP CB C 13 40.8618 0.400 . 1 . . . . 78 ASP CB . 15470 1 783 . 1 1 78 78 ASP N N 15 120.459 0.400 . 1 . . . . 78 ASP N . 15470 1 784 . 1 1 79 79 THR H H 1 8.0398 0.050 . 1 . . . . 79 THR H . 15470 1 785 . 1 1 79 79 THR HA H 1 4.3208 0.050 . 1 . . . . 79 THR HA . 15470 1 786 . 1 1 79 79 THR HB H 1 4.2538 0.050 . 1 . . . . 79 THR HB . 15470 1 787 . 1 1 79 79 THR HG21 H 1 1.2238 0.050 . 1 . . . . 79 THR HG2 . 15470 1 788 . 1 1 79 79 THR HG22 H 1 1.2238 0.050 . 1 . . . . 79 THR HG2 . 15470 1 789 . 1 1 79 79 THR HG23 H 1 1.2238 0.050 . 1 . . . . 79 THR HG2 . 15470 1 790 . 1 1 79 79 THR C C 13 171.541 0.400 . 1 . . . . 79 THR C . 15470 1 791 . 1 1 79 79 THR CA C 13 62.1658 0.400 . 1 . . . . 79 THR CA . 15470 1 792 . 1 1 79 79 THR CB C 13 69.7638 0.400 . 1 . . . . 79 THR CB . 15470 1 793 . 1 1 79 79 THR CG2 C 13 21.4248 0.400 . 1 . . . . 79 THR CG2 . 15470 1 794 . 1 1 79 79 THR N N 15 113.759 0.400 . 1 . . . . 79 THR N . 15470 1 795 . 1 1 80 80 ASP H H 1 8.4268 0.050 . 1 . . . . 80 ASP H . 15470 1 796 . 1 1 80 80 ASP HA H 1 4.7098 0.050 . 1 . . . . 80 ASP HA . 15470 1 797 . 1 1 80 80 ASP HB2 H 1 2.7928 0.050 . 2 . . . . 80 ASP HB2 . 15470 1 798 . 1 1 80 80 ASP C C 13 173.897 0.400 . 1 . . . . 80 ASP C . 15470 1 799 . 1 1 80 80 ASP CA C 13 54.4298 0.400 . 1 . . . . 80 ASP CA . 15470 1 800 . 1 1 80 80 ASP CB C 13 40.9508 0.400 . 1 . . . . 80 ASP CB . 15470 1 801 . 1 1 80 80 ASP N N 15 122.666 0.400 . 1 . . . . 80 ASP N . 15470 1 802 . 1 1 81 81 SER H H 1 8.4558 0.050 . 1 . . . . 81 SER H . 15470 1 803 . 1 1 81 81 SER HA H 1 4.4138 0.050 . 1 . . . . 81 SER HA . 15470 1 804 . 1 1 81 81 SER HB2 H 1 3.9998 0.050 . 2 . . . . 81 SER HB2 . 15470 1 805 . 1 1 81 81 SER C C 13 172.788 0.400 . 1 . . . . 81 SER C . 15470 1 806 . 1 1 81 81 SER CA C 13 59.4528 0.400 . 1 . . . . 81 SER CA . 15470 1 807 . 1 1 81 81 SER CB C 13 63.0578 0.400 . 1 . . . . 81 SER CB . 15470 1 808 . 1 1 81 81 SER N N 15 117.057 0.400 . 1 . . . . 81 SER N . 15470 1 809 . 1 1 82 82 GLU H H 1 8.5098 0.050 . 1 . . . . 82 GLU H . 15470 1 810 . 1 1 82 82 GLU HA H 1 4.1568 0.050 . 1 . . . . 82 GLU HA . 15470 1 811 . 1 1 82 82 GLU HB2 H 1 2.1328 0.050 . 2 . . . . 82 GLU HB2 . 15470 1 812 . 1 1 82 82 GLU HG2 H 1 2.3588 0.050 . 2 . . . . 82 GLU HG2 . 15470 1 813 . 1 1 82 82 GLU C C 13 175.133 0.400 . 1 . . . . 82 GLU C . 15470 1 814 . 1 1 82 82 GLU CA C 13 58.6118 0.400 . 1 . . . . 82 GLU CA . 15470 1 815 . 1 1 82 82 GLU CB C 13 29.7828 0.400 . 1 . . . . 82 GLU CB . 15470 1 816 . 1 1 82 82 GLU CG C 13 36.6058 0.400 . 1 . . . . 82 GLU CG . 15470 1 817 . 1 1 82 82 GLU N N 15 122.235 0.400 . 1 . . . . 82 GLU N . 15470 1 818 . 1 1 83 83 GLU H H 1 8.2248 0.050 . 1 . . . . 83 GLU H . 15470 1 819 . 1 1 83 83 GLU HA H 1 4.1048 0.050 . 1 . . . . 83 GLU HA . 15470 1 820 . 1 1 83 83 GLU HB2 H 1 2.0948 0.050 . 2 . . . . 83 GLU HB2 . 15470 1 821 . 1 1 83 83 GLU HG2 H 1 2.3658 0.050 . 2 . . . . 83 GLU HG2 . 15470 1 822 . 1 1 83 83 GLU C C 13 176.436 0.400 . 1 . . . . 83 GLU C . 15470 1 823 . 1 1 83 83 GLU CA C 13 59.2618 0.400 . 1 . . . . 83 GLU CA . 15470 1 824 . 1 1 83 83 GLU CB C 13 29.5468 0.400 . 1 . . . . 83 GLU CB . 15470 1 825 . 1 1 83 83 GLU CG C 13 35.8858 0.400 . 1 . . . . 83 GLU CG . 15470 1 826 . 1 1 83 83 GLU N N 15 119.203 0.400 . 1 . . . . 83 GLU N . 15470 1 827 . 1 1 84 84 GLU H H 1 8.1158 0.050 . 1 . . . . 84 GLU H . 15470 1 828 . 1 1 84 84 GLU HA H 1 4.1448 0.050 . 1 . . . . 84 GLU HA . 15470 1 829 . 1 1 84 84 GLU HB2 H 1 2.1508 0.050 . 2 . . . . 84 GLU HB2 . 15470 1 830 . 1 1 84 84 GLU HG2 H 1 2.4798 0.050 . 2 . . . . 84 GLU HG2 . 15470 1 831 . 1 1 84 84 GLU HG3 H 1 2.3118 0.050 . 2 . . . . 84 GLU HG3 . 15470 1 832 . 1 1 84 84 GLU C C 13 177.343 0.400 . 1 . . . . 84 GLU C . 15470 1 833 . 1 1 84 84 GLU CA C 13 59.6828 0.400 . 1 . . . . 84 GLU CA . 15470 1 834 . 1 1 84 84 GLU CB C 13 30.3448 0.400 . 1 . . . . 84 GLU CB . 15470 1 835 . 1 1 84 84 GLU CG C 13 36.2148 0.400 . 1 . . . . 84 GLU CG . 15470 1 836 . 1 1 84 84 GLU N N 15 117.902 0.400 . 1 . . . . 84 GLU N . 15470 1 837 . 1 1 85 85 ILE H H 1 8.0018 0.050 . 1 . . . . 85 ILE H . 15470 1 838 . 1 1 85 85 ILE HA H 1 4.0898 0.050 . 1 . . . . 85 ILE HA . 15470 1 839 . 1 1 85 85 ILE HB H 1 2.2168 0.050 . 1 . . . . 85 ILE HB . 15470 1 840 . 1 1 85 85 ILE HD11 H 1 0.7028 0.050 . 1 . . . . 85 ILE HD1 . 15470 1 841 . 1 1 85 85 ILE HD12 H 1 0.7028 0.050 . 1 . . . . 85 ILE HD1 . 15470 1 842 . 1 1 85 85 ILE HD13 H 1 0.7028 0.050 . 1 . . . . 85 ILE HD1 . 15470 1 843 . 1 1 85 85 ILE HG12 H 1 1.9488 0.050 . 2 . . . . 85 ILE HG12 . 15470 1 844 . 1 1 85 85 ILE HG13 H 1 0.9628 0.050 . 2 . . . . 85 ILE HG13 . 15470 1 845 . 1 1 85 85 ILE HG21 H 1 1.1078 0.050 . 1 . . . . 85 ILE HG2 . 15470 1 846 . 1 1 85 85 ILE HG22 H 1 1.1078 0.050 . 1 . . . . 85 ILE HG2 . 15470 1 847 . 1 1 85 85 ILE HG23 H 1 1.1078 0.050 . 1 . . . . 85 ILE HG2 . 15470 1 848 . 1 1 85 85 ILE C C 13 174.656 0.400 . 1 . . . . 85 ILE C . 15470 1 849 . 1 1 85 85 ILE CA C 13 65.6048 0.400 . 1 . . . . 85 ILE CA . 15470 1 850 . 1 1 85 85 ILE CB C 13 37.4178 0.400 . 1 . . . . 85 ILE CB . 15470 1 851 . 1 1 85 85 ILE CD1 C 13 13.3228 0.400 . 1 . . . . 85 ILE CD1 . 15470 1 852 . 1 1 85 85 ILE CG1 C 13 29.7868 0.400 . 1 . . . . 85 ILE CG1 . 15470 1 853 . 1 1 85 85 ILE CG2 C 13 18.5638 0.400 . 1 . . . . 85 ILE CG2 . 15470 1 854 . 1 1 85 85 ILE N N 15 119.580 0.400 . 1 . . . . 85 ILE N . 15470 1 855 . 1 1 86 86 ARG H H 1 8.3748 0.050 . 1 . . . . 86 ARG H . 15470 1 856 . 1 1 86 86 ARG HA H 1 4.1548 0.050 . 1 . . . . 86 ARG HA . 15470 1 857 . 1 1 86 86 ARG HB2 H 1 2.0668 0.050 . 2 . . . . 86 ARG HB2 . 15470 1 858 . 1 1 86 86 ARG HB3 H 1 1.8628 0.050 . 2 . . . . 86 ARG HB3 . 15470 1 859 . 1 1 86 86 ARG HD2 H 1 2.9658 0.050 . 2 . . . . 86 ARG HD2 . 15470 1 860 . 1 1 86 86 ARG HG2 H 1 1.6538 0.050 . 2 . . . . 86 ARG HG2 . 15470 1 861 . 1 1 86 86 ARG HG3 H 1 1.5228 0.050 . 2 . . . . 86 ARG HG3 . 15470 1 862 . 1 1 86 86 ARG CA C 13 60.3318 0.400 . 1 . . . . 86 ARG CA . 15470 1 863 . 1 1 86 86 ARG CB C 13 29.9378 0.400 . 1 . . . . 86 ARG CB . 15470 1 864 . 1 1 86 86 ARG CD C 13 42.9598 0.400 . 1 . . . . 86 ARG CD . 15470 1 865 . 1 1 86 86 ARG CG C 13 27.3348 0.400 . 1 . . . . 86 ARG CG . 15470 1 866 . 1 1 86 86 ARG N N 15 121.213 0.400 . 1 . . . . 86 ARG N . 15470 1 867 . 1 1 87 87 GLU H H 1 8.3608 0.050 . 1 . . . . 87 GLU H . 15470 1 868 . 1 1 87 87 GLU HA H 1 4.0938 0.050 . 1 . . . . 87 GLU HA . 15470 1 869 . 1 1 87 87 GLU HB2 H 1 2.0958 0.050 . 2 . . . . 87 GLU HB2 . 15470 1 870 . 1 1 87 87 GLU HG2 H 1 2.3498 0.050 . 2 . . . . 87 GLU HG2 . 15470 1 871 . 1 1 87 87 GLU CA C 13 59.2028 0.400 . 1 . . . . 87 GLU CA . 15470 1 872 . 1 1 87 87 GLU CB C 13 29.6808 0.400 . 1 . . . . 87 GLU CB . 15470 1 873 . 1 1 87 87 GLU CG C 13 36.2078 0.400 . 1 . . . . 87 GLU CG . 15470 1 874 . 1 1 87 87 GLU N N 15 117.579 0.400 . 1 . . . . 87 GLU N . 15470 1 875 . 1 1 88 88 ALA H H 1 8.3528 0.050 . 1 . . . . 88 ALA H . 15470 1 876 . 1 1 88 88 ALA HA H 1 4.1738 0.050 . 1 . . . . 88 ALA HA . 15470 1 877 . 1 1 88 88 ALA HB1 H 1 1.9338 0.050 . 1 . . . . 88 ALA HB . 15470 1 878 . 1 1 88 88 ALA HB2 H 1 1.9338 0.050 . 1 . . . . 88 ALA HB . 15470 1 879 . 1 1 88 88 ALA HB3 H 1 1.9338 0.050 . 1 . . . . 88 ALA HB . 15470 1 880 . 1 1 88 88 ALA C C 13 176.595 0.400 . 1 . . . . 88 ALA C . 15470 1 881 . 1 1 88 88 ALA CA C 13 54.9348 0.400 . 1 . . . . 88 ALA CA . 15470 1 882 . 1 1 88 88 ALA CB C 13 18.5808 0.400 . 1 . . . . 88 ALA CB . 15470 1 883 . 1 1 88 88 ALA N N 15 120.095 0.400 . 1 . . . . 88 ALA N . 15470 1 884 . 1 1 89 89 PHE H H 1 8.8348 0.050 . 1 . . . . 89 PHE H . 15470 1 885 . 1 1 89 89 PHE HA H 1 3.3128 0.050 . 1 . . . . 89 PHE HA . 15470 1 886 . 1 1 89 89 PHE HB2 H 1 3.0008 0.050 . 2 . . . . 89 PHE HB2 . 15470 1 887 . 1 1 89 89 PHE HD1 H 1 6.5598 0.050 . 3 . . . . 89 PHE HD1 . 15470 1 888 . 1 1 89 89 PHE HD2 H 1 6.5598 0.050 . 3 . . . . 89 PHE HD2 . 15470 1 889 . 1 1 89 89 PHE HE1 H 1 7.0808 0.050 . 3 . . . . 89 PHE HE1 . 15470 1 890 . 1 1 89 89 PHE HE2 H 1 7.0808 0.050 . 3 . . . . 89 PHE HE2 . 15470 1 891 . 1 1 89 89 PHE HZ H 1 7.2848 0.050 . 1 . . . . 89 PHE HZ . 15470 1 892 . 1 1 89 89 PHE C C 13 173.566 0.400 . 1 . . . . 89 PHE C . 15470 1 893 . 1 1 89 89 PHE CA C 13 61.8048 0.400 . 1 . . . . 89 PHE CA . 15470 1 894 . 1 1 89 89 PHE CB C 13 38.9878 0.400 . 1 . . . . 89 PHE CB . 15470 1 895 . 1 1 89 89 PHE CE1 C 13 126.947 0.400 . 3 . . . . 89 PHE CE1 . 15470 1 896 . 1 1 89 89 PHE CE2 C 13 126.947 0.400 . 3 . . . . 89 PHE CE2 . 15470 1 897 . 1 1 89 89 PHE N N 15 118.860 0.400 . 1 . . . . 89 PHE N . 15470 1 898 . 1 1 90 90 ARG H H 1 7.6278 0.050 . 1 . . . . 90 ARG H . 15470 1 899 . 1 1 90 90 ARG HA H 1 3.9408 0.050 . 1 . . . . 90 ARG HA . 15470 1 900 . 1 1 90 90 ARG HB2 H 1 1.9898 0.050 . 2 . . . . 90 ARG HB2 . 15470 1 901 . 1 1 90 90 ARG HB3 H 1 1.9528 0.050 . 2 . . . . 90 ARG HB3 . 15470 1 902 . 1 1 90 90 ARG HD2 H 1 3.2628 0.050 . 2 . . . . 90 ARG HD2 . 15470 1 903 . 1 1 90 90 ARG HG2 H 1 1.9688 0.050 . 2 . . . . 90 ARG HG2 . 15470 1 904 . 1 1 90 90 ARG HG3 H 1 1.7988 0.050 . 2 . . . . 90 ARG HG3 . 15470 1 905 . 1 1 90 90 ARG C C 13 174.665 0.400 . 1 . . . . 90 ARG C . 15470 1 906 . 1 1 90 90 ARG CA C 13 58.3618 0.400 . 1 . . . . 90 ARG CA . 15470 1 907 . 1 1 90 90 ARG CB C 13 30.3938 0.400 . 1 . . . . 90 ARG CB . 15470 1 908 . 1 1 90 90 ARG CD C 13 43.3538 0.400 . 1 . . . . 90 ARG CD . 15470 1 909 . 1 1 90 90 ARG CG C 13 27.8308 0.400 . 1 . . . . 90 ARG CG . 15470 1 910 . 1 1 90 90 ARG N N 15 114.460 0.400 . 1 . . . . 90 ARG N . 15470 1 911 . 1 1 91 91 VAL H H 1 7.4118 0.050 . 1 . . . . 91 VAL H . 15470 1 912 . 1 1 91 91 VAL HA H 1 3.5488 0.050 . 1 . . . . 91 VAL HA . 15470 1 913 . 1 1 91 91 VAL HB H 1 2.2488 0.050 . 1 . . . . 91 VAL HB . 15470 1 914 . 1 1 91 91 VAL HG11 H 1 1.0318 0.050 . 2 . . . . 91 VAL HG1 . 15470 1 915 . 1 1 91 91 VAL HG12 H 1 1.0318 0.050 . 2 . . . . 91 VAL HG1 . 15470 1 916 . 1 1 91 91 VAL HG13 H 1 1.0318 0.050 . 2 . . . . 91 VAL HG1 . 15470 1 917 . 1 1 91 91 VAL HG21 H 1 0.7098 0.050 . 2 . . . . 91 VAL HG2 . 15470 1 918 . 1 1 91 91 VAL HG22 H 1 0.7098 0.050 . 2 . . . . 91 VAL HG2 . 15470 1 919 . 1 1 91 91 VAL HG23 H 1 0.7098 0.050 . 2 . . . . 91 VAL HG2 . 15470 1 920 . 1 1 91 91 VAL C C 13 174.176 0.400 . 1 . . . . 91 VAL C . 15470 1 921 . 1 1 91 91 VAL CA C 13 65.6048 0.400 . 1 . . . . 91 VAL CA . 15470 1 922 . 1 1 91 91 VAL CB C 13 31.0978 0.400 . 1 . . . . 91 VAL CB . 15470 1 923 . 1 1 91 91 VAL CG1 C 13 22.5558 0.400 . 2 . . . . 91 VAL CG1 . 15470 1 924 . 1 1 91 91 VAL CG2 C 13 20.9048 0.400 . 2 . . . . 91 VAL CG2 . 15470 1 925 . 1 1 91 91 VAL N N 15 117.632 0.400 . 1 . . . . 91 VAL N . 15470 1 926 . 1 1 92 92 PHE H H 1 7.2058 0.050 . 1 . . . . 92 PHE H . 15470 1 927 . 1 1 92 92 PHE HA H 1 4.1938 0.050 . 1 . . . . 92 PHE HA . 15470 1 928 . 1 1 92 92 PHE HB2 H 1 2.7418 0.050 . 2 . . . . 92 PHE HB2 . 15470 1 929 . 1 1 92 92 PHE HD1 H 1 7.5308 0.050 . 3 . . . . 92 PHE HD1 . 15470 1 930 . 1 1 92 92 PHE HD2 H 1 7.5308 0.050 . 3 . . . . 92 PHE HD2 . 15470 1 931 . 1 1 92 92 PHE HE1 H 1 7.2868 0.050 . 3 . . . . 92 PHE HE1 . 15470 1 932 . 1 1 92 92 PHE HE2 H 1 7.2868 0.050 . 3 . . . . 92 PHE HE2 . 15470 1 933 . 1 1 92 92 PHE C C 13 173.432 0.400 . 1 . . . . 92 PHE C . 15470 1 934 . 1 1 92 92 PHE CA C 13 60.5698 0.400 . 1 . . . . 92 PHE CA . 15470 1 935 . 1 1 92 92 PHE CB C 13 41.0488 0.400 . 1 . . . . 92 PHE CB . 15470 1 936 . 1 1 92 92 PHE CD1 C 13 130.697 0.400 . 3 . . . . 92 PHE CD1 . 15470 1 937 . 1 1 92 92 PHE CD2 C 13 130.697 0.400 . 3 . . . . 92 PHE CD2 . 15470 1 938 . 1 1 92 92 PHE CE1 C 13 129.847 0.400 . 3 . . . . 92 PHE CE1 . 15470 1 939 . 1 1 92 92 PHE CE2 C 13 129.847 0.400 . 3 . . . . 92 PHE CE2 . 15470 1 940 . 1 1 92 92 PHE N N 15 114.928 0.400 . 1 . . . . 92 PHE N . 15470 1 941 . 1 1 93 93 ASP H H 1 7.8908 0.050 . 1 . . . . 93 ASP H . 15470 1 942 . 1 1 93 93 ASP HA H 1 4.5588 0.050 . 1 . . . . 93 ASP HA . 15470 1 943 . 1 1 93 93 ASP HB2 H 1 2.2178 0.050 . 2 . . . . 93 ASP HB2 . 15470 1 944 . 1 1 93 93 ASP C C 13 174.487 0.400 . 1 . . . . 93 ASP C . 15470 1 945 . 1 1 93 93 ASP CA C 13 52.4208 0.400 . 1 . . . . 93 ASP CA . 15470 1 946 . 1 1 93 93 ASP CB C 13 38.8108 0.400 . 1 . . . . 93 ASP CB . 15470 1 947 . 1 1 93 93 ASP N N 15 114.746 0.400 . 1 . . . . 93 ASP N . 15470 1 948 . 1 1 94 94 LYS H H 1 7.4178 0.050 . 1 . . . . 94 LYS H . 15470 1 949 . 1 1 94 94 LYS HA H 1 3.8858 0.050 . 1 . . . . 94 LYS HA . 15470 1 950 . 1 1 94 94 LYS HB2 H 1 1.8608 0.050 . 2 . . . . 94 LYS HB2 . 15470 1 951 . 1 1 94 94 LYS HD2 H 1 1.6468 0.050 . 2 . . . . 94 LYS HD2 . 15470 1 952 . 1 1 94 94 LYS HD3 H 1 1.4968 0.050 . 2 . . . . 94 LYS HD3 . 15470 1 953 . 1 1 94 94 LYS HE2 H 1 2.8508 0.050 . 2 . . . . 94 LYS HE2 . 15470 1 954 . 1 1 94 94 LYS HG2 H 1 1.5198 0.050 . 2 . . . . 94 LYS HG2 . 15470 1 955 . 1 1 94 94 LYS HG3 H 1 1.4738 0.050 . 2 . . . . 94 LYS HG3 . 15470 1 956 . 1 1 94 94 LYS C C 13 175.567 0.400 . 1 . . . . 94 LYS C . 15470 1 957 . 1 1 94 94 LYS CA C 13 59.3298 0.400 . 1 . . . . 94 LYS CA . 15470 1 958 . 1 1 94 94 LYS CB C 13 32.5108 0.400 . 1 . . . . 94 LYS CB . 15470 1 959 . 1 1 94 94 LYS CD C 13 28.2778 0.400 . 1 . . . . 94 LYS CD . 15470 1 960 . 1 1 94 94 LYS CE C 13 41.5298 0.400 . 1 . . . . 94 LYS CE . 15470 1 961 . 1 1 94 94 LYS CG C 13 23.7708 0.400 . 1 . . . . 94 LYS CG . 15470 1 962 . 1 1 94 94 LYS N N 15 124.290 0.400 . 1 . . . . 94 LYS N . 15470 1 963 . 1 1 95 95 ASP H H 1 8.4428 0.050 . 1 . . . . 95 ASP H . 15470 1 964 . 1 1 95 95 ASP HA H 1 4.5038 0.050 . 1 . . . . 95 ASP HA . 15470 1 965 . 1 1 95 95 ASP HB2 H 1 2.6828 0.050 . 2 . . . . 95 ASP HB2 . 15470 1 966 . 1 1 95 95 ASP HB3 H 1 2.1948 0.050 . 2 . . . . 95 ASP HB3 . 15470 1 967 . 1 1 95 95 ASP C C 13 175.057 0.400 . 1 . . . . 95 ASP C . 15470 1 968 . 1 1 95 95 ASP CA C 13 53.9748 0.400 . 1 . . . . 95 ASP CA . 15470 1 969 . 1 1 95 95 ASP CB C 13 39.9358 0.400 . 1 . . . . 95 ASP CB . 15470 1 970 . 1 1 95 95 ASP N N 15 113.716 0.400 . 1 . . . . 95 ASP N . 15470 1 971 . 1 1 96 96 GLY H H 1 7.9008 0.050 . 1 . . . . 96 GLY H . 15470 1 972 . 1 1 96 96 GLY HA2 H 1 3.9218 0.050 . 2 . . . . 96 GLY HA2 . 15470 1 973 . 1 1 96 96 GLY HA3 H 1 3.8578 0.050 . 2 . . . . 96 GLY HA3 . 15470 1 974 . 1 1 96 96 GLY C C 13 172.324 0.400 . 1 . . . . 96 GLY C . 15470 1 975 . 1 1 96 96 GLY CA C 13 46.9648 0.400 . 1 . . . . 96 GLY CA . 15470 1 976 . 1 1 96 96 GLY N N 15 109.038 0.400 . 1 . . . . 96 GLY N . 15470 1 977 . 1 1 97 97 ASN H H 1 8.4328 0.050 . 1 . . . . 97 ASN H . 15470 1 978 . 1 1 97 97 ASN HA H 1 4.6208 0.050 . 1 . . . . 97 ASN HA . 15470 1 979 . 1 1 97 97 ASN HB2 H 1 3.3158 0.050 . 2 . . . . 97 ASN HB2 . 15470 1 980 . 1 1 97 97 ASN HB3 H 1 2.6908 0.050 . 2 . . . . 97 ASN HB3 . 15470 1 981 . 1 1 97 97 ASN HD21 H 1 8.0918 0.050 . 2 . . . . 97 ASN HD21 . 15470 1 982 . 1 1 97 97 ASN HD22 H 1 7.4058 0.050 . 2 . . . . 97 ASN HD22 . 15470 1 983 . 1 1 97 97 ASN C C 13 173.111 0.400 . 1 . . . . 97 ASN C . 15470 1 984 . 1 1 97 97 ASN CA C 13 51.9718 0.400 . 1 . . . . 97 ASN CA . 15470 1 985 . 1 1 97 97 ASN CB C 13 37.3228 0.400 . 1 . . . . 97 ASN CB . 15470 1 986 . 1 1 97 97 ASN N N 15 119.490 0.400 . 1 . . . . 97 ASN N . 15470 1 987 . 1 1 97 97 ASN ND2 N 15 116.123 0.400 . 1 . . . . 97 ASN ND2 . 15470 1 988 . 1 1 98 98 GLY H H 1 10.7648 0.050 . 1 . . . . 98 GLY H . 15470 1 989 . 1 1 98 98 GLY HA2 H 1 4.0968 0.050 . 2 . . . . 98 GLY HA2 . 15470 1 990 . 1 1 98 98 GLY HA3 H 1 3.4538 0.050 . 2 . . . . 98 GLY HA3 . 15470 1 991 . 1 1 98 98 GLY C C 13 169.922 0.400 . 1 . . . . 98 GLY C . 15470 1 992 . 1 1 98 98 GLY CA C 13 44.6868 0.400 . 1 . . . . 98 GLY CA . 15470 1 993 . 1 1 98 98 GLY N N 15 112.415 0.400 . 1 . . . . 98 GLY N . 15470 1 994 . 1 1 99 99 TYR H H 1 7.6948 0.050 . 1 . . . . 99 TYR H . 15470 1 995 . 1 1 99 99 TYR HA H 1 5.0578 0.050 . 1 . . . . 99 TYR HA . 15470 1 996 . 1 1 99 99 TYR HB2 H 1 2.5608 0.050 . 2 . . . . 99 TYR HB2 . 15470 1 997 . 1 1 99 99 TYR HB3 H 1 2.5378 0.050 . 2 . . . . 99 TYR HB3 . 15470 1 998 . 1 1 99 99 TYR HD1 H 1 6.7708 0.050 . 3 . . . . 99 TYR HD1 . 15470 1 999 . 1 1 99 99 TYR HD2 H 1 6.7708 0.050 . 3 . . . . 99 TYR HD2 . 15470 1 1000 . 1 1 99 99 TYR HE1 H 1 6.9438 0.050 . 3 . . . . 99 TYR HE1 . 15470 1 1001 . 1 1 99 99 TYR HE2 H 1 6.9438 0.050 . 3 . . . . 99 TYR HE2 . 15470 1 1002 . 1 1 99 99 TYR C C 13 171.883 0.400 . 1 . . . . 99 TYR C . 15470 1 1003 . 1 1 99 99 TYR CA C 13 55.7868 0.400 . 1 . . . . 99 TYR CA . 15470 1 1004 . 1 1 99 99 TYR CB C 13 42.7778 0.400 . 1 . . . . 99 TYR CB . 15470 1 1005 . 1 1 99 99 TYR CD1 C 13 131.470 0.400 . 3 . . . . 99 TYR CD1 . 15470 1 1006 . 1 1 99 99 TYR CD2 C 13 131.470 0.400 . 3 . . . . 99 TYR CD2 . 15470 1 1007 . 1 1 99 99 TYR CE1 C 13 116.395 0.400 . 3 . . . . 99 TYR CE1 . 15470 1 1008 . 1 1 99 99 TYR CE2 C 13 116.395 0.400 . 3 . . . . 99 TYR CE2 . 15470 1 1009 . 1 1 99 99 TYR N N 15 115.788 0.400 . 1 . . . . 99 TYR N . 15470 1 1010 . 1 1 100 100 ILE H H 1 10.2758 0.050 . 1 . . . . 100 ILE H . 15470 1 1011 . 1 1 100 100 ILE HA H 1 4.7148 0.050 . 1 . . . . 100 ILE HA . 15470 1 1012 . 1 1 100 100 ILE HB H 1 1.9998 0.050 . 1 . . . . 100 ILE HB . 15470 1 1013 . 1 1 100 100 ILE HD11 H 1 0.6218 0.050 . 1 . . . . 100 ILE HD1 . 15470 1 1014 . 1 1 100 100 ILE HD12 H 1 0.6218 0.050 . 1 . . . . 100 ILE HD1 . 15470 1 1015 . 1 1 100 100 ILE HD13 H 1 0.6218 0.050 . 1 . . . . 100 ILE HD1 . 15470 1 1016 . 1 1 100 100 ILE HG12 H 1 1.5078 0.050 . 2 . . . . 100 ILE HG12 . 15470 1 1017 . 1 1 100 100 ILE HG13 H 1 0.6148 0.050 . 2 . . . . 100 ILE HG13 . 15470 1 1018 . 1 1 100 100 ILE HG21 H 1 1.1548 0.050 . 1 . . . . 100 ILE HG2 . 15470 1 1019 . 1 1 100 100 ILE HG22 H 1 1.1548 0.050 . 1 . . . . 100 ILE HG2 . 15470 1 1020 . 1 1 100 100 ILE HG23 H 1 1.1548 0.050 . 1 . . . . 100 ILE HG2 . 15470 1 1021 . 1 1 100 100 ILE C C 13 172.814 0.400 . 1 . . . . 100 ILE C . 15470 1 1022 . 1 1 100 100 ILE CA C 13 61.4788 0.400 . 1 . . . . 100 ILE CA . 15470 1 1023 . 1 1 100 100 ILE CB C 13 39.6218 0.400 . 1 . . . . 100 ILE CB . 15470 1 1024 . 1 1 100 100 ILE CD1 C 13 16.1228 0.400 . 1 . . . . 100 ILE CD1 . 15470 1 1025 . 1 1 100 100 ILE CG1 C 13 26.7908 0.400 . 1 . . . . 100 ILE CG1 . 15470 1 1026 . 1 1 100 100 ILE CG2 C 13 17.5398 0.400 . 1 . . . . 100 ILE CG2 . 15470 1 1027 . 1 1 100 100 ILE N N 15 126.892 0.400 . 1 . . . . 100 ILE N . 15470 1 1028 . 1 1 101 101 SER H H 1 8.9958 0.050 . 1 . . . . 101 SER H . 15470 1 1029 . 1 1 101 101 SER HA H 1 5.0128 0.050 . 1 . . . . 101 SER HA . 15470 1 1030 . 1 1 101 101 SER HB2 H 1 4.0118 0.050 . 2 . . . . 101 SER HB2 . 15470 1 1031 . 1 1 101 101 SER C C 13 172.611 0.400 . 1 . . . . 101 SER C . 15470 1 1032 . 1 1 101 101 SER CA C 13 55.3568 0.400 . 1 . . . . 101 SER CA . 15470 1 1033 . 1 1 101 101 SER CB C 13 66.6608 0.400 . 1 . . . . 101 SER CB . 15470 1 1034 . 1 1 101 101 SER N N 15 123.234 0.400 . 1 . . . . 101 SER N . 15470 1 1035 . 1 1 102 102 ALA H H 1 9.3348 0.050 . 1 . . . . 102 ALA H . 15470 1 1036 . 1 1 102 102 ALA HA H 1 3.9268 0.050 . 1 . . . . 102 ALA HA . 15470 1 1037 . 1 1 102 102 ALA HB1 H 1 1.5048 0.050 . 1 . . . . 102 ALA HB . 15470 1 1038 . 1 1 102 102 ALA HB2 H 1 1.5048 0.050 . 1 . . . . 102 ALA HB . 15470 1 1039 . 1 1 102 102 ALA HB3 H 1 1.5048 0.050 . 1 . . . . 102 ALA HB . 15470 1 1040 . 1 1 102 102 ALA C C 13 176.445 0.400 . 1 . . . . 102 ALA C . 15470 1 1041 . 1 1 102 102 ALA CA C 13 55.9148 0.400 . 1 . . . . 102 ALA CA . 15470 1 1042 . 1 1 102 102 ALA CB C 13 17.7798 0.400 . 1 . . . . 102 ALA CB . 15470 1 1043 . 1 1 102 102 ALA N N 15 122.755 0.400 . 1 . . . . 102 ALA N . 15470 1 1044 . 1 1 103 103 ALA H H 1 8.3158 0.050 . 1 . . . . 103 ALA H . 15470 1 1045 . 1 1 103 103 ALA HA H 1 4.0298 0.050 . 1 . . . . 103 ALA HA . 15470 1 1046 . 1 1 103 103 ALA HB1 H 1 1.4298 0.050 . 1 . . . . 103 ALA HB . 15470 1 1047 . 1 1 103 103 ALA HB2 H 1 1.4298 0.050 . 1 . . . . 103 ALA HB . 15470 1 1048 . 1 1 103 103 ALA HB3 H 1 1.4298 0.050 . 1 . . . . 103 ALA HB . 15470 1 1049 . 1 1 103 103 ALA C C 13 178.770 0.400 . 1 . . . . 103 ALA C . 15470 1 1050 . 1 1 103 103 ALA CA C 13 54.8718 0.400 . 1 . . . . 103 ALA CA . 15470 1 1051 . 1 1 103 103 ALA CB C 13 18.3008 0.400 . 1 . . . . 103 ALA CB . 15470 1 1052 . 1 1 103 103 ALA N N 15 118.198 0.400 . 1 . . . . 103 ALA N . 15470 1 1053 . 1 1 104 104 GLU H H 1 7.9448 0.050 . 1 . . . . 104 GLU H . 15470 1 1054 . 1 1 104 104 GLU HA H 1 4.0258 0.050 . 1 . . . . 104 GLU HA . 15470 1 1055 . 1 1 104 104 GLU HB2 H 1 1.8718 0.050 . 2 . . . . 104 GLU HB2 . 15470 1 1056 . 1 1 104 104 GLU HG2 H 1 2.6128 0.050 . 2 . . . . 104 GLU HG2 . 15470 1 1057 . 1 1 104 104 GLU C C 13 176.136 0.400 . 1 . . . . 104 GLU C . 15470 1 1058 . 1 1 104 104 GLU CA C 13 59.0858 0.400 . 1 . . . . 104 GLU CA . 15470 1 1059 . 1 1 104 104 GLU CG C 13 37.9988 0.400 . 1 . . . . 104 GLU CG . 15470 1 1060 . 1 1 104 104 GLU N N 15 119.337 0.400 . 1 . . . . 104 GLU N . 15470 1 1061 . 1 1 105 105 LEU H H 1 8.6268 0.050 . 1 . . . . 105 LEU H . 15470 1 1062 . 1 1 105 105 LEU HA H 1 4.1598 0.050 . 1 . . . . 105 LEU HA . 15470 1 1063 . 1 1 105 105 LEU HB2 H 1 1.9418 0.050 . 2 . . . . 105 LEU HB2 . 15470 1 1064 . 1 1 105 105 LEU HD11 H 1 0.7698 0.050 . 2 . . . . 105 LEU HD1 . 15470 1 1065 . 1 1 105 105 LEU HD12 H 1 0.7698 0.050 . 2 . . . . 105 LEU HD1 . 15470 1 1066 . 1 1 105 105 LEU HD13 H 1 0.7698 0.050 . 2 . . . . 105 LEU HD1 . 15470 1 1067 . 1 1 105 105 LEU HD21 H 1 0.7538 0.050 . 2 . . . . 105 LEU HD2 . 15470 1 1068 . 1 1 105 105 LEU HD22 H 1 0.7538 0.050 . 2 . . . . 105 LEU HD2 . 15470 1 1069 . 1 1 105 105 LEU HD23 H 1 0.7538 0.050 . 2 . . . . 105 LEU HD2 . 15470 1 1070 . 1 1 105 105 LEU HG H 1 1.5638 0.050 . 1 . . . . 105 LEU HG . 15470 1 1071 . 1 1 105 105 LEU C C 13 175.538 0.400 . 1 . . . . 105 LEU C . 15470 1 1072 . 1 1 105 105 LEU CA C 13 57.9358 0.400 . 1 . . . . 105 LEU CA . 15470 1 1073 . 1 1 105 105 LEU CB C 13 42.1528 0.400 . 1 . . . . 105 LEU CB . 15470 1 1074 . 1 1 105 105 LEU CD1 C 13 23.8488 0.400 . 2 . . . . 105 LEU CD1 . 15470 1 1075 . 1 1 105 105 LEU CD2 C 13 23.777 0.400 . 2 . . . . 105 LEU CD2 . 15470 1 1076 . 1 1 105 105 LEU CG C 13 26.6848 0.400 . 1 . . . . 105 LEU CG . 15470 1 1077 . 1 1 105 105 LEU N N 15 120.144 0.400 . 1 . . . . 105 LEU N . 15470 1 1078 . 1 1 106 106 ARG H H 1 8.7128 0.050 . 1 . . . . 106 ARG H . 15470 1 1079 . 1 1 106 106 ARG HA H 1 3.8018 0.050 . 1 . . . . 106 ARG HA . 15470 1 1080 . 1 1 106 106 ARG HB2 H 1 1.9498 0.050 . 2 . . . . 106 ARG HB2 . 15470 1 1081 . 1 1 106 106 ARG HB3 H 1 1.7308 0.050 . 2 . . . . 106 ARG HB3 . 15470 1 1082 . 1 1 106 106 ARG HD2 H 1 3.2588 0.050 . 2 . . . . 106 ARG HD2 . 15470 1 1083 . 1 1 106 106 ARG HD3 H 1 3.1358 0.050 . 2 . . . . 106 ARG HD3 . 15470 1 1084 . 1 1 106 106 ARG HG2 H 1 1.6418 0.050 . 2 . . . . 106 ARG HG2 . 15470 1 1085 . 1 1 106 106 ARG C C 13 175.898 0.400 . 1 . . . . 106 ARG C . 15470 1 1086 . 1 1 106 106 ARG CA C 13 59.8628 0.400 . 1 . . . . 106 ARG CA . 15470 1 1087 . 1 1 106 106 ARG CB C 13 30.0268 0.400 . 1 . . . . 106 ARG CB . 15470 1 1088 . 1 1 106 106 ARG CD C 13 43.4158 0.400 . 1 . . . . 106 ARG CD . 15470 1 1089 . 1 1 106 106 ARG CG C 13 27.4768 0.400 . 1 . . . . 106 ARG CG . 15470 1 1090 . 1 1 106 106 ARG N N 15 117.740 0.400 . 1 . . . . 106 ARG N . 15470 1 1091 . 1 1 107 107 HIS H H 1 7.8868 0.050 . 1 . . . . 107 HIS H . 15470 1 1092 . 1 1 107 107 HIS HA H 1 4.3998 0.050 . 1 . . . . 107 HIS HA . 15470 1 1093 . 1 1 107 107 HIS HB2 H 1 3.4228 0.050 . 2 . . . . 107 HIS HB2 . 15470 1 1094 . 1 1 107 107 HIS HB3 H 1 3.3728 0.050 . 2 . . . . 107 HIS HB3 . 15470 1 1095 . 1 1 107 107 HIS HD2 H 1 7.2578 0.050 . 1 . . . . 107 HIS HD2 . 15470 1 1096 . 1 1 107 107 HIS HE1 H 1 8.5098 0.050 . 1 . . . . 107 HIS HE1 . 15470 1 1097 . 1 1 107 107 HIS C C 13 175.029 0.400 . 1 . . . . 107 HIS C . 15470 1 1098 . 1 1 107 107 HIS CA C 13 59.0188 0.400 . 1 . . . . 107 HIS CA . 15470 1 1099 . 1 1 107 107 HIS CB C 13 28.6158 0.400 . 1 . . . . 107 HIS CB . 15470 1 1100 . 1 1 107 107 HIS CD2 C 13 118.538 0.400 . 1 . . . . 107 HIS CD2 . 15470 1 1101 . 1 1 107 107 HIS CE1 C 13 134.929 0.400 . 1 . . . . 107 HIS CE1 . 15470 1 1102 . 1 1 107 107 HIS N N 15 117.720 0.400 . 1 . . . . 107 HIS N . 15470 1 1103 . 1 1 108 108 VAL H H 1 8.4398 0.050 . 1 . . . . 108 VAL H . 15470 1 1104 . 1 1 108 108 VAL HA H 1 3.5928 0.050 . 1 . . . . 108 VAL HA . 15470 1 1105 . 1 1 108 108 VAL HB H 1 2.0938 0.050 . 1 . . . . 108 VAL HB . 15470 1 1106 . 1 1 108 108 VAL HG11 H 1 1.0148 0.050 . 2 . . . . 108 VAL HG1 . 15470 1 1107 . 1 1 108 108 VAL HG12 H 1 1.0148 0.050 . 2 . . . . 108 VAL HG1 . 15470 1 1108 . 1 1 108 108 VAL HG13 H 1 1.0148 0.050 . 2 . . . . 108 VAL HG1 . 15470 1 1109 . 1 1 108 108 VAL HG21 H 1 0.4988 0.050 . 2 . . . . 108 VAL HG2 . 15470 1 1110 . 1 1 108 108 VAL HG22 H 1 0.4988 0.050 . 2 . . . . 108 VAL HG2 . 15470 1 1111 . 1 1 108 108 VAL HG23 H 1 0.4988 0.050 . 2 . . . . 108 VAL HG2 . 15470 1 1112 . 1 1 108 108 VAL C C 13 175.248 0.400 . 1 . . . . 108 VAL C . 15470 1 1113 . 1 1 108 108 VAL CA C 13 66.5638 0.400 . 1 . . . . 108 VAL CA . 15470 1 1114 . 1 1 108 108 VAL CB C 13 31.5708 0.400 . 1 . . . . 108 VAL CB . 15470 1 1115 . 1 1 108 108 VAL CG1 C 13 23.7288 0.400 . 2 . . . . 108 VAL CG1 . 15470 1 1116 . 1 1 108 108 VAL CG2 C 13 20.5588 0.400 . 2 . . . . 108 VAL CG2 . 15470 1 1117 . 1 1 108 108 VAL N N 15 119.959 0.400 . 1 . . . . 108 VAL N . 15470 1 1118 . 1 1 109 109 MET H H 1 8.4358 0.050 . 1 . . . . 109 MET H . 15470 1 1119 . 1 1 109 109 MET HA H 1 4.2358 0.050 . 1 . . . . 109 MET HA . 15470 1 1120 . 1 1 109 109 MET HB2 H 1 2.3128 0.050 . 2 . . . . 109 MET HB2 . 15470 1 1121 . 1 1 109 109 MET HE1 H 1 1.8318 0.050 . 1 . . . . 109 MET HE . 15470 1 1122 . 1 1 109 109 MET HE2 H 1 1.8318 0.050 . 1 . . . . 109 MET HE . 15470 1 1123 . 1 1 109 109 MET HE3 H 1 1.8318 0.050 . 1 . . . . 109 MET HE . 15470 1 1124 . 1 1 109 109 MET HG2 H 1 2.7948 0.050 . 2 . . . . 109 MET HG2 . 15470 1 1125 . 1 1 109 109 MET HG3 H 1 2.3318 0.050 . 2 . . . . 109 MET HG3 . 15470 1 1126 . 1 1 109 109 MET C C 13 176.437 0.400 . 1 . . . . 109 MET C . 15470 1 1127 . 1 1 109 109 MET CA C 13 57.3908 0.400 . 1 . . . . 109 MET CA . 15470 1 1128 . 1 1 109 109 MET CB C 13 29.5328 0.400 . 1 . . . . 109 MET CB . 15470 1 1129 . 1 1 109 109 MET CE C 13 16.9208 0.400 . 1 . . . . 109 MET CE . 15470 1 1130 . 1 1 109 109 MET CG C 13 32.3898 0.400 . 1 . . . . 109 MET CG . 15470 1 1131 . 1 1 109 109 MET N N 15 115.295 0.400 . 1 . . . . 109 MET N . 15470 1 1132 . 1 1 110 110 THR H H 1 8.1258 0.050 . 1 . . . . 110 THR H . 15470 1 1133 . 1 1 110 110 THR HA H 1 4.0568 0.050 . 1 . . . . 110 THR HA . 15470 1 1134 . 1 1 110 110 THR HB H 1 4.2578 0.050 . 1 . . . . 110 THR HB . 15470 1 1135 . 1 1 110 110 THR HG21 H 1 1.2748 0.050 . 1 . . . . 110 THR HG2 . 15470 1 1136 . 1 1 110 110 THR HG22 H 1 1.2748 0.050 . 1 . . . . 110 THR HG2 . 15470 1 1137 . 1 1 110 110 THR HG23 H 1 1.2748 0.050 . 1 . . . . 110 THR HG2 . 15470 1 1138 . 1 1 110 110 THR C C 13 175.497 0.400 . 1 . . . . 110 THR C . 15470 1 1139 . 1 1 110 110 THR CA C 13 66.5808 0.400 . 1 . . . . 110 THR CA . 15470 1 1140 . 1 1 110 110 THR CB C 13 68.5218 0.400 . 1 . . . . 110 THR CB . 15470 1 1141 . 1 1 110 110 THR CG2 C 13 21.3928 0.400 . 1 . . . . 110 THR CG2 . 15470 1 1142 . 1 1 110 110 THR N N 15 115.318 0.400 . 1 . . . . 110 THR N . 15470 1 1143 . 1 1 111 111 ASN H H 1 7.9988 0.050 . 1 . . . . 111 ASN H . 15470 1 1144 . 1 1 111 111 ASN HA H 1 4.4508 0.050 . 1 . . . . 111 ASN HA . 15470 1 1145 . 1 1 111 111 ASN HB2 H 1 2.7928 0.050 . 2 . . . . 111 ASN HB2 . 15470 1 1146 . 1 1 111 111 ASN HD21 H 1 7.5168 0.050 . 2 . . . . 111 ASN HD21 . 15470 1 1147 . 1 1 111 111 ASN HD22 H 1 6.7198 0.050 . 2 . . . . 111 ASN HD22 . 15470 1 1148 . 1 1 111 111 ASN CA C 13 55.8368 0.400 . 1 . . . . 111 ASN CA . 15470 1 1149 . 1 1 111 111 ASN CB C 13 37.9678 0.400 . 1 . . . . 111 ASN CB . 15470 1 1150 . 1 1 111 111 ASN N N 15 122.630 0.400 . 1 . . . . 111 ASN N . 15470 1 1151 . 1 1 111 111 ASN ND2 N 15 111.625 0.400 . 1 . . . . 111 ASN ND2 . 15470 1 1152 . 1 1 112 112 LEU H H 1 7.9058 0.050 . 1 . . . . 112 LEU H . 15470 1 1153 . 1 1 112 112 LEU HA H 1 4.3308 0.050 . 1 . . . . 112 LEU HA . 15470 1 1154 . 1 1 112 112 LEU HB2 H 1 1.9378 0.050 . 2 . . . . 112 LEU HB2 . 15470 1 1155 . 1 1 112 112 LEU HB3 H 1 1.6348 0.050 . 2 . . . . 112 LEU HB3 . 15470 1 1156 . 1 1 112 112 LEU HD11 H 1 0.8158 0.050 . 2 . . . . 112 LEU HD1 . 15470 1 1157 . 1 1 112 112 LEU HD12 H 1 0.8158 0.050 . 2 . . . . 112 LEU HD1 . 15470 1 1158 . 1 1 112 112 LEU HD13 H 1 0.8158 0.050 . 2 . . . . 112 LEU HD1 . 15470 1 1159 . 1 1 112 112 LEU HD21 H 1 0.7718 0.050 . 2 . . . . 112 LEU HD2 . 15470 1 1160 . 1 1 112 112 LEU HD22 H 1 0.7718 0.050 . 2 . . . . 112 LEU HD2 . 15470 1 1161 . 1 1 112 112 LEU HD23 H 1 0.7718 0.050 . 2 . . . . 112 LEU HD2 . 15470 1 1162 . 1 1 112 112 LEU HG H 1 1.6608 0.050 . 1 . . . . 112 LEU HG . 15470 1 1163 . 1 1 112 112 LEU C C 13 174.584 0.400 . 1 . . . . 112 LEU C . 15470 1 1164 . 1 1 112 112 LEU CA C 13 54.8318 0.400 . 1 . . . . 112 LEU CA . 15470 1 1165 . 1 1 112 112 LEU CB C 13 42.5438 0.400 . 1 . . . . 112 LEU CB . 15470 1 1166 . 1 1 112 112 LEU CD1 C 13 25.9018 0.400 . 2 . . . . 112 LEU CD1 . 15470 1 1167 . 1 1 112 112 LEU CD2 C 13 22.0388 0.400 . 2 . . . . 112 LEU CD2 . 15470 1 1168 . 1 1 112 112 LEU CG C 13 26.2718 0.400 . 1 . . . . 112 LEU CG . 15470 1 1169 . 1 1 112 112 LEU N N 15 117.455 0.400 . 1 . . . . 112 LEU N . 15470 1 1170 . 1 1 113 113 GLY H H 1 7.9138 0.050 . 1 . . . . 113 GLY H . 15470 1 1171 . 1 1 113 113 GLY HA2 H 1 4.1398 0.050 . 2 . . . . 113 GLY HA2 . 15470 1 1172 . 1 1 113 113 GLY HA3 H 1 3.7798 0.050 . 2 . . . . 113 GLY HA3 . 15470 1 1173 . 1 1 113 113 GLY C C 13 171.823 0.400 . 1 . . . . 113 GLY C . 15470 1 1174 . 1 1 113 113 GLY CA C 13 45.5118 0.400 . 1 . . . . 113 GLY CA . 15470 1 1175 . 1 1 113 113 GLY N N 15 107.043 0.400 . 1 . . . . 113 GLY N . 15470 1 1176 . 1 1 114 114 GLU H H 1 7.8588 0.050 . 1 . . . . 114 GLU H . 15470 1 1177 . 1 1 114 114 GLU HA H 1 4.3238 0.050 . 1 . . . . 114 GLU HA . 15470 1 1178 . 1 1 114 114 GLU HB2 H 1 1.7328 0.050 . 2 . . . . 114 GLU HB2 . 15470 1 1179 . 1 1 114 114 GLU HG2 H 1 2.1188 0.050 . 2 . . . . 114 GLU HG2 . 15470 1 1180 . 1 1 114 114 GLU HG3 H 1 1.9848 0.050 . 2 . . . . 114 GLU HG3 . 15470 1 1181 . 1 1 114 114 GLU C C 13 172.814 0.400 . 1 . . . . 114 GLU C . 15470 1 1182 . 1 1 114 114 GLU CA C 13 55.1648 0.400 . 1 . . . . 114 GLU CA . 15470 1 1183 . 1 1 114 114 GLU CB C 13 30.5298 0.400 . 1 . . . . 114 GLU CB . 15470 1 1184 . 1 1 114 114 GLU CG C 13 35.2058 0.400 . 1 . . . . 114 GLU CG . 15470 1 1185 . 1 1 114 114 GLU N N 15 119.028 0.400 . 1 . . . . 114 GLU N . 15470 1 1186 . 1 1 115 115 LYS H H 1 8.6538 0.050 . 1 . . . . 115 LYS H . 15470 1 1187 . 1 1 115 115 LYS HA H 1 4.3778 0.050 . 1 . . . . 115 LYS HA . 15470 1 1188 . 1 1 115 115 LYS HB2 H 1 1.7448 0.050 . 2 . . . . 115 LYS HB2 . 15470 1 1189 . 1 1 115 115 LYS HB3 H 1 1.6408 0.050 . 2 . . . . 115 LYS HB3 . 15470 1 1190 . 1 1 115 115 LYS HD2 H 1 1.6378 0.050 . 2 . . . . 115 LYS HD2 . 15470 1 1191 . 1 1 115 115 LYS HE2 H 1 2.9508 0.050 . 2 . . . . 115 LYS HE2 . 15470 1 1192 . 1 1 115 115 LYS HG2 H 1 1.2958 0.050 . 2 . . . . 115 LYS HG2 . 15470 1 1193 . 1 1 115 115 LYS C C 13 172.455 0.400 . 1 . . . . 115 LYS C . 15470 1 1194 . 1 1 115 115 LYS CA C 13 55.2348 0.400 . 1 . . . . 115 LYS CA . 15470 1 1195 . 1 1 115 115 LYS CB C 13 31.7618 0.400 . 1 . . . . 115 LYS CB . 15470 1 1196 . 1 1 115 115 LYS CD C 13 28.8418 0.400 . 1 . . . . 115 LYS CD . 15470 1 1197 . 1 1 115 115 LYS CE C 13 41.4828 0.400 . 1 . . . . 115 LYS CE . 15470 1 1198 . 1 1 115 115 LYS CG C 13 24.3778 0.400 . 1 . . . . 115 LYS CG . 15470 1 1199 . 1 1 115 115 LYS N N 15 123.982 0.400 . 1 . . . . 115 LYS N . 15470 1 1200 . 1 1 116 116 LEU H H 1 8.0528 0.050 . 1 . . . . 116 LEU H . 15470 1 1201 . 1 1 116 116 LEU HA H 1 4.6688 0.050 . 1 . . . . 116 LEU HA . 15470 1 1202 . 1 1 116 116 LEU HB2 H 1 1.5498 0.050 . 2 . . . . 116 LEU HB2 . 15470 1 1203 . 1 1 116 116 LEU HB3 H 1 1.3748 0.050 . 2 . . . . 116 LEU HB3 . 15470 1 1204 . 1 1 116 116 LEU HD11 H 1 0.6908 0.050 . 2 . . . . 116 LEU HD1 . 15470 1 1205 . 1 1 116 116 LEU HD12 H 1 0.6908 0.050 . 2 . . . . 116 LEU HD1 . 15470 1 1206 . 1 1 116 116 LEU HD13 H 1 0.6908 0.050 . 2 . . . . 116 LEU HD1 . 15470 1 1207 . 1 1 116 116 LEU HD21 H 1 0.6898 0.050 . 2 . . . . 116 LEU HD2 . 15470 1 1208 . 1 1 116 116 LEU HD22 H 1 0.6898 0.050 . 2 . . . . 116 LEU HD2 . 15470 1 1209 . 1 1 116 116 LEU HD23 H 1 0.6898 0.050 . 2 . . . . 116 LEU HD2 . 15470 1 1210 . 1 1 116 116 LEU HG H 1 0.6798 0.050 . 1 . . . . 116 LEU HG . 15470 1 1211 . 1 1 116 116 LEU C C 13 175.378 0.400 . 1 . . . . 116 LEU C . 15470 1 1212 . 1 1 116 116 LEU CA C 13 54.1328 0.400 . 1 . . . . 116 LEU CA . 15470 1 1213 . 1 1 116 116 LEU CB C 13 44.1758 0.400 . 1 . . . . 116 LEU CB . 15470 1 1214 . 1 1 116 116 LEU CD1 C 13 24.0658 0.400 . 2 . . . . 116 LEU CD1 . 15470 1 1215 . 1 1 116 116 LEU CD2 C 13 23.7548 0.400 . 2 . . . . 116 LEU CD2 . 15470 1 1216 . 1 1 116 116 LEU CG C 13 26.9828 0.400 . 1 . . . . 116 LEU CG . 15470 1 1217 . 1 1 116 116 LEU N N 15 124.274 0.400 . 1 . . . . 116 LEU N . 15470 1 1218 . 1 1 117 117 THR H H 1 9.1258 0.050 . 1 . . . . 117 THR H . 15470 1 1219 . 1 1 117 117 THR HA H 1 4.4238 0.050 . 1 . . . . 117 THR HA . 15470 1 1220 . 1 1 117 117 THR HB H 1 4.7248 0.050 . 1 . . . . 117 THR HB . 15470 1 1221 . 1 1 117 117 THR HG21 H 1 1.3388 0.050 . 1 . . . . 117 THR HG2 . 15470 1 1222 . 1 1 117 117 THR HG22 H 1 1.3388 0.050 . 1 . . . . 117 THR HG2 . 15470 1 1223 . 1 1 117 117 THR HG23 H 1 1.3388 0.050 . 1 . . . . 117 THR HG2 . 15470 1 1224 . 1 1 117 117 THR CA C 13 60.9128 0.400 . 1 . . . . 117 THR CA . 15470 1 1225 . 1 1 117 117 THR CB C 13 70.9388 0.400 . 1 . . . . 117 THR CB . 15470 1 1226 . 1 1 117 117 THR CG2 C 13 21.5258 0.400 . 1 . . . . 117 THR CG2 . 15470 1 1227 . 1 1 117 117 THR N N 15 113.635 0.400 . 1 . . . . 117 THR N . 15470 1 1228 . 1 1 118 118 ASP H H 1 8.9128 0.050 . 1 . . . . 118 ASP H . 15470 1 1229 . 1 1 118 118 ASP HA H 1 4.2238 0.050 . 1 . . . . 118 ASP HA . 15470 1 1230 . 1 1 118 118 ASP HB2 H 1 3.0378 0.050 . 2 . . . . 118 ASP HB2 . 15470 1 1231 . 1 1 118 118 ASP HB3 H 1 2.6168 0.050 . 2 . . . . 118 ASP HB3 . 15470 1 1232 . 1 1 118 118 ASP C C 13 175.917 0.400 . 1 . . . . 118 ASP C . 15470 1 1233 . 1 1 118 118 ASP CA C 13 57.6808 0.400 . 1 . . . . 118 ASP CA . 15470 1 1234 . 1 1 118 118 ASP CB C 13 39.5228 0.400 . 1 . . . . 118 ASP CB . 15470 1 1235 . 1 1 118 118 ASP N N 15 120.870 0.400 . 1 . . . . 118 ASP N . 15470 1 1236 . 1 1 119 119 GLU H H 1 8.6268 0.050 . 1 . . . . 119 GLU H . 15470 1 1237 . 1 1 119 119 GLU HA H 1 4.1258 0.050 . 1 . . . . 119 GLU HA . 15470 1 1238 . 1 1 119 119 GLU HB2 H 1 2.3388 0.050 . 2 . . . . 119 GLU HB2 . 15470 1 1239 . 1 1 119 119 GLU HB3 H 1 2.0548 0.050 . 2 . . . . 119 GLU HB3 . 15470 1 1240 . 1 1 119 119 GLU HG2 H 1 2.3498 0.050 . 2 . . . . 119 GLU HG2 . 15470 1 1241 . 1 1 119 119 GLU C C 13 176.438 0.400 . 1 . . . . 119 GLU C . 15470 1 1242 . 1 1 119 119 GLU CA C 13 59.7978 0.400 . 1 . . . . 119 GLU CA . 15470 1 1243 . 1 1 119 119 GLU CB C 13 28.7848 0.400 . 1 . . . . 119 GLU CB . 15470 1 1244 . 1 1 119 119 GLU CG C 13 35.8818 0.400 . 1 . . . . 119 GLU CG . 15470 1 1245 . 1 1 119 119 GLU N N 15 118.815 0.400 . 1 . . . . 119 GLU N . 15470 1 1246 . 1 1 120 120 GLU H H 1 7.7748 0.050 . 1 . . . . 120 GLU H . 15470 1 1247 . 1 1 120 120 GLU HA H 1 3.9208 0.050 . 1 . . . . 120 GLU HA . 15470 1 1248 . 1 1 120 120 GLU HB2 H 1 2.1208 0.050 . 2 . . . . 120 GLU HB2 . 15470 1 1249 . 1 1 120 120 GLU HG2 H 1 2.3668 0.050 . 2 . . . . 120 GLU HG2 . 15470 1 1250 . 1 1 120 120 GLU C C 13 176.259 0.400 . 1 . . . . 120 GLU C . 15470 1 1251 . 1 1 120 120 GLU CA C 13 59.5158 0.400 . 1 . . . . 120 GLU CA . 15470 1 1252 . 1 1 120 120 GLU CB C 13 30.8308 0.400 . 1 . . . . 120 GLU CB . 15470 1 1253 . 1 1 120 120 GLU CG C 13 38.2848 0.400 . 1 . . . . 120 GLU CG . 15470 1 1254 . 1 1 120 120 GLU N N 15 120.193 0.400 . 1 . . . . 120 GLU N . 15470 1 1255 . 1 1 121 121 VAL H H 1 8.0268 0.050 . 1 . . . . 121 VAL H . 15470 1 1256 . 1 1 121 121 VAL HA H 1 3.5098 0.050 . 1 . . . . 121 VAL HA . 15470 1 1257 . 1 1 121 121 VAL HB H 1 2.1848 0.050 . 1 . . . . 121 VAL HB . 15470 1 1258 . 1 1 121 121 VAL HG11 H 1 0.8808 0.050 . 2 . . . . 121 VAL HG1 . 15470 1 1259 . 1 1 121 121 VAL HG12 H 1 0.8808 0.050 . 2 . . . . 121 VAL HG1 . 15470 1 1260 . 1 1 121 121 VAL HG13 H 1 0.8808 0.050 . 2 . . . . 121 VAL HG1 . 15470 1 1261 . 1 1 121 121 VAL HG21 H 1 0.9418 0.050 . 2 . . . . 121 VAL HG2 . 15470 1 1262 . 1 1 121 121 VAL HG22 H 1 0.9418 0.050 . 2 . . . . 121 VAL HG2 . 15470 1 1263 . 1 1 121 121 VAL HG23 H 1 0.9418 0.050 . 2 . . . . 121 VAL HG2 . 15470 1 1264 . 1 1 121 121 VAL C C 13 175.276 0.400 . 1 . . . . 121 VAL C . 15470 1 1265 . 1 1 121 121 VAL CA C 13 66.8298 0.400 . 1 . . . . 121 VAL CA . 15470 1 1266 . 1 1 121 121 VAL CB C 13 31.1878 0.400 . 1 . . . . 121 VAL CB . 15470 1 1267 . 1 1 121 121 VAL CG1 C 13 23.3228 0.400 . 2 . . . . 121 VAL CG1 . 15470 1 1268 . 1 1 121 121 VAL CG2 C 13 21.8348 0.400 . 2 . . . . 121 VAL CG2 . 15470 1 1269 . 1 1 121 121 VAL N N 15 121.619 0.400 . 1 . . . . 121 VAL N . 15470 1 1270 . 1 1 122 122 ASP H H 1 8.1848 0.050 . 1 . . . . 122 ASP H . 15470 1 1271 . 1 1 122 122 ASP HA H 1 4.3648 0.050 . 1 . . . . 122 ASP HA . 15470 1 1272 . 1 1 122 122 ASP HB2 H 1 2.7908 0.050 . 2 . . . . 122 ASP HB2 . 15470 1 1273 . 1 1 122 122 ASP HB3 H 1 2.6998 0.050 . 2 . . . . 122 ASP HB3 . 15470 1 1274 . 1 1 122 122 ASP C C 13 176.327 0.400 . 1 . . . . 122 ASP C . 15470 1 1275 . 1 1 122 122 ASP CA C 13 57.5188 0.400 . 1 . . . . 122 ASP CA . 15470 1 1276 . 1 1 122 122 ASP CB C 13 40.0848 0.400 . 1 . . . . 122 ASP CB . 15470 1 1277 . 1 1 122 122 ASP N N 15 119.587 0.400 . 1 . . . . 122 ASP N . 15470 1 1278 . 1 1 123 123 GLU H H 1 8.1898 0.050 . 1 . . . . 123 GLU H . 15470 1 1279 . 1 1 123 123 GLU HA H 1 3.9668 0.050 . 1 . . . . 123 GLU HA . 15470 1 1280 . 1 1 123 123 GLU HB2 H 1 2.2938 0.050 . 2 . . . . 123 GLU HB2 . 15470 1 1281 . 1 1 123 123 GLU HG2 H 1 2.4258 0.050 . 2 . . . . 123 GLU HG2 . 15470 1 1282 . 1 1 123 123 GLU C C 13 175.641 0.400 . 1 . . . . 123 GLU C . 15470 1 1283 . 1 1 123 123 GLU CA C 13 59.3828 0.400 . 1 . . . . 123 GLU CA . 15470 1 1284 . 1 1 123 123 GLU CB C 13 30.1128 0.400 . 1 . . . . 123 GLU CB . 15470 1 1285 . 1 1 123 123 GLU CG C 13 36.4218 0.400 . 1 . . . . 123 GLU CG . 15470 1 1286 . 1 1 123 123 GLU N N 15 119.238 0.400 . 1 . . . . 123 GLU N . 15470 1 1287 . 1 1 124 124 MET H H 1 7.7708 0.050 . 1 . . . . 124 MET H . 15470 1 1288 . 1 1 124 124 MET HA H 1 3.9128 0.050 . 1 . . . . 124 MET HA . 15470 1 1289 . 1 1 124 124 MET HB2 H 1 1.8458 0.050 . 2 . . . . 124 MET HB2 . 15470 1 1290 . 1 1 124 124 MET HE1 H 1 0.6608 0.050 . 1 . . . . 124 MET HE . 15470 1 1291 . 1 1 124 124 MET HE2 H 1 0.6608 0.050 . 1 . . . . 124 MET HE . 15470 1 1292 . 1 1 124 124 MET HE3 H 1 0.6608 0.050 . 1 . . . . 124 MET HE . 15470 1 1293 . 1 1 124 124 MET HG2 H 1 2.7888 0.050 . 2 . . . . 124 MET HG2 . 15470 1 1294 . 1 1 124 124 MET C C 13 177.098 0.400 . 1 . . . . 124 MET C . 15470 1 1295 . 1 1 124 124 MET CA C 13 60.6858 0.400 . 1 . . . . 124 MET CA . 15470 1 1296 . 1 1 124 124 MET CB C 13 33.3538 0.400 . 1 . . . . 124 MET CB . 15470 1 1297 . 1 1 124 124 MET CE C 13 14.9908 0.400 . 1 . . . . 124 MET CE . 15470 1 1298 . 1 1 124 124 MET N N 15 118.205 0.400 . 1 . . . . 124 MET N . 15470 1 1299 . 1 1 125 125 ILE H H 1 7.8768 0.050 . 1 . . . . 125 ILE H . 15470 1 1300 . 1 1 125 125 ILE HA H 1 3.8498 0.050 . 1 . . . . 125 ILE HA . 15470 1 1301 . 1 1 125 125 ILE HB H 1 2.3988 0.050 . 1 . . . . 125 ILE HB . 15470 1 1302 . 1 1 125 125 ILE HD11 H 1 0.8248 0.050 . 1 . . . . 125 ILE HD1 . 15470 1 1303 . 1 1 125 125 ILE HD12 H 1 0.8248 0.050 . 1 . . . . 125 ILE HD1 . 15470 1 1304 . 1 1 125 125 ILE HD13 H 1 0.8248 0.050 . 1 . . . . 125 ILE HD1 . 15470 1 1305 . 1 1 125 125 ILE HG12 H 1 1.7318 0.050 . 2 . . . . 125 ILE HG12 . 15470 1 1306 . 1 1 125 125 ILE HG13 H 1 1.4938 0.050 . 2 . . . . 125 ILE HG13 . 15470 1 1307 . 1 1 125 125 ILE HG21 H 1 0.8108 0.050 . 1 . . . . 125 ILE HG2 . 15470 1 1308 . 1 1 125 125 ILE HG22 H 1 0.8108 0.050 . 1 . . . . 125 ILE HG2 . 15470 1 1309 . 1 1 125 125 ILE HG23 H 1 0.8108 0.050 . 1 . . . . 125 ILE HG2 . 15470 1 1310 . 1 1 125 125 ILE CA C 13 63.0148 0.400 . 1 . . . . 125 ILE CA . 15470 1 1311 . 1 1 125 125 ILE CB C 13 35.5488 0.400 . 1 . . . . 125 ILE CB . 15470 1 1312 . 1 1 125 125 ILE CD1 C 13 9.4738 0.400 . 1 . . . . 125 ILE CD1 . 15470 1 1313 . 1 1 125 125 ILE CG1 C 13 26.9728 0.400 . 1 . . . . 125 ILE CG1 . 15470 1 1314 . 1 1 125 125 ILE CG2 C 13 16.4428 0.400 . 1 . . . . 125 ILE CG2 . 15470 1 1315 . 1 1 125 125 ILE N N 15 119.224 0.400 . 1 . . . . 125 ILE N . 15470 1 1316 . 1 1 126 126 ARG H H 1 8.5118 0.050 . 1 . . . . 126 ARG H . 15470 1 1317 . 1 1 126 126 ARG HA H 1 4.0908 0.050 . 1 . . . . 126 ARG HA . 15470 1 1318 . 1 1 126 126 ARG HB2 H 1 1.8898 0.050 . 2 . . . . 126 ARG HB2 . 15470 1 1319 . 1 1 126 126 ARG HD2 H 1 3.2478 0.050 . 2 . . . . 126 ARG HD2 . 15470 1 1320 . 1 1 126 126 ARG HG2 H 1 1.8238 0.050 . 2 . . . . 126 ARG HG2 . 15470 1 1321 . 1 1 126 126 ARG HG3 H 1 1.6708 0.050 . 2 . . . . 126 ARG HG3 . 15470 1 1322 . 1 1 126 126 ARG C C 13 176.484 0.400 . 1 . . . . 126 ARG C . 15470 1 1323 . 1 1 126 126 ARG CA C 13 59.5788 0.400 . 1 . . . . 126 ARG CA . 15470 1 1324 . 1 1 126 126 ARG CB C 13 30.2498 0.400 . 1 . . . . 126 ARG CB . 15470 1 1325 . 1 1 126 126 ARG CD C 13 43.4668 0.400 . 1 . . . . 126 ARG CD . 15470 1 1326 . 1 1 126 126 ARG CG C 13 27.9058 0.400 . 1 . . . . 126 ARG CG . 15470 1 1327 . 1 1 126 126 ARG N N 15 117.057 0.400 . 1 . . . . 126 ARG N . 15470 1 1328 . 1 1 127 127 GLU H H 1 8.2808 0.050 . 1 . . . . 127 GLU H . 15470 1 1329 . 1 1 127 127 GLU HA H 1 4.0608 0.050 . 1 . . . . 127 GLU HA . 15470 1 1330 . 1 1 127 127 GLU HB2 H 1 2.3078 0.050 . 2 . . . . 127 GLU HB2 . 15470 1 1331 . 1 1 127 127 GLU HG2 H 1 2.4958 0.050 . 2 . . . . 127 GLU HG2 . 15470 1 1332 . 1 1 127 127 GLU C C 13 174.423 0.400 . 1 . . . . 127 GLU C . 15470 1 1333 . 1 1 127 127 GLU CA C 13 58.8898 0.400 . 1 . . . . 127 GLU CA . 15470 1 1334 . 1 1 127 127 GLU CB C 13 30.1128 0.400 . 1 . . . . 127 GLU CB . 15470 1 1335 . 1 1 127 127 GLU CG C 13 36.6448 0.400 . 1 . . . . 127 GLU CG . 15470 1 1336 . 1 1 127 127 GLU N N 15 115.021 0.400 . 1 . . . . 127 GLU N . 15470 1 1337 . 1 1 128 128 ALA H H 1 7.2248 0.050 . 1 . . . . 128 ALA H . 15470 1 1338 . 1 1 128 128 ALA HA H 1 4.3508 0.050 . 1 . . . . 128 ALA HA . 15470 1 1339 . 1 1 128 128 ALA HB1 H 1 1.2118 0.050 . 1 . . . . 128 ALA HB . 15470 1 1340 . 1 1 128 128 ALA HB2 H 1 1.2118 0.050 . 1 . . . . 128 ALA HB . 15470 1 1341 . 1 1 128 128 ALA HB3 H 1 1.2118 0.050 . 1 . . . . 128 ALA HB . 15470 1 1342 . 1 1 128 128 ALA C C 13 174.788 0.400 . 1 . . . . 128 ALA C . 15470 1 1343 . 1 1 128 128 ALA CA C 13 51.6648 0.400 . 1 . . . . 128 ALA CA . 15470 1 1344 . 1 1 128 128 ALA CB C 13 20.8668 0.400 . 1 . . . . 128 ALA CB . 15470 1 1345 . 1 1 128 128 ALA N N 15 116.627 0.400 . 1 . . . . 128 ALA N . 15470 1 1346 . 1 1 129 129 ASN H H 1 7.8978 0.050 . 1 . . . . 129 ASN H . 15470 1 1347 . 1 1 129 129 ASN HA H 1 4.4838 0.050 . 1 . . . . 129 ASN HA . 15470 1 1348 . 1 1 129 129 ASN HB2 H 1 2.8958 0.050 . 2 . . . . 129 ASN HB2 . 15470 1 1349 . 1 1 129 129 ASN HB3 H 1 2.5088 0.050 . 2 . . . . 129 ASN HB3 . 15470 1 1350 . 1 1 129 129 ASN C C 13 172.792 0.400 . 1 . . . . 129 ASN C . 15470 1 1351 . 1 1 129 129 ASN CA C 13 54.3598 0.400 . 1 . . . . 129 ASN CA . 15470 1 1352 . 1 1 129 129 ASN CB C 13 40.3068 0.400 . 1 . . . . 129 ASN CB . 15470 1 1353 . 1 1 129 129 ASN N N 15 117.321 0.400 . 1 . . . . 129 ASN N . 15470 1 1354 . 1 1 130 130 ILE H H 1 8.2758 0.050 . 1 . . . . 130 ILE H . 15470 1 1355 . 1 1 130 130 ILE HA H 1 3.8998 0.050 . 1 . . . . 130 ILE HA . 15470 1 1356 . 1 1 130 130 ILE HB H 1 1.9548 0.050 . 1 . . . . 130 ILE HB . 15470 1 1357 . 1 1 130 130 ILE HD11 H 1 0.8608 0.050 . 1 . . . . 130 ILE HD1 . 15470 1 1358 . 1 1 130 130 ILE HD12 H 1 0.8608 0.050 . 1 . . . . 130 ILE HD1 . 15470 1 1359 . 1 1 130 130 ILE HD13 H 1 0.8608 0.050 . 1 . . . . 130 ILE HD1 . 15470 1 1360 . 1 1 130 130 ILE HG12 H 1 1.6528 0.050 . 2 . . . . 130 ILE HG12 . 15470 1 1361 . 1 1 130 130 ILE HG13 H 1 1.2608 0.050 . 2 . . . . 130 ILE HG13 . 15470 1 1362 . 1 1 130 130 ILE HG21 H 1 0.9198 0.050 . 1 . . . . 130 ILE HG2 . 15470 1 1363 . 1 1 130 130 ILE HG22 H 1 0.9198 0.050 . 1 . . . . 130 ILE HG2 . 15470 1 1364 . 1 1 130 130 ILE HG23 H 1 0.9198 0.050 . 1 . . . . 130 ILE HG2 . 15470 1 1365 . 1 1 130 130 ILE C C 13 175.157 0.400 . 1 . . . . 130 ILE C . 15470 1 1366 . 1 1 130 130 ILE CA C 13 63.2378 0.400 . 1 . . . . 130 ILE CA . 15470 1 1367 . 1 1 130 130 ILE CB C 13 38.5768 0.400 . 1 . . . . 130 ILE CB . 15470 1 1368 . 1 1 130 130 ILE CD1 C 13 12.3058 0.400 . 1 . . . . 130 ILE CD1 . 15470 1 1369 . 1 1 130 130 ILE CG1 C 13 27.6178 0.400 . 1 . . . . 130 ILE CG1 . 15470 1 1370 . 1 1 130 130 ILE CG2 C 13 17.2438 0.400 . 1 . . . . 130 ILE CG2 . 15470 1 1371 . 1 1 130 130 ILE N N 15 127.388 0.400 . 1 . . . . 130 ILE N . 15470 1 1372 . 1 1 131 131 ASP H H 1 8.4118 0.050 . 1 . . . . 131 ASP H . 15470 1 1373 . 1 1 131 131 ASP HA H 1 4.5008 0.050 . 1 . . . . 131 ASP HA . 15470 1 1374 . 1 1 131 131 ASP HB2 H 1 3.0488 0.050 . 2 . . . . 131 ASP HB2 . 15470 1 1375 . 1 1 131 131 ASP HB3 H 1 2.6358 0.050 . 2 . . . . 131 ASP HB3 . 15470 1 1376 . 1 1 131 131 ASP C C 13 175.047 0.400 . 1 . . . . 131 ASP C . 15470 1 1377 . 1 1 131 131 ASP CA C 13 54.0058 0.400 . 1 . . . . 131 ASP CA . 15470 1 1378 . 1 1 131 131 ASP CB C 13 40.0758 0.400 . 1 . . . . 131 ASP CB . 15470 1 1379 . 1 1 131 131 ASP N N 15 116.226 0.400 . 1 . . . . 131 ASP N . 15470 1 1380 . 1 1 132 132 GLY H H 1 7.6768 0.050 . 1 . . . . 132 GLY H . 15470 1 1381 . 1 1 132 132 GLY HA2 H 1 3.9908 0.050 . 2 . . . . 132 GLY HA2 . 15470 1 1382 . 1 1 132 132 GLY HA3 H 1 3.8608 0.050 . 2 . . . . 132 GLY HA3 . 15470 1 1383 . 1 1 132 132 GLY C C 13 172.439 0.400 . 1 . . . . 132 GLY C . 15470 1 1384 . 1 1 132 132 GLY CA C 13 47.2278 0.400 . 1 . . . . 132 GLY CA . 15470 1 1385 . 1 1 132 132 GLY N N 15 108.352 0.400 . 1 . . . . 132 GLY N . 15470 1 1386 . 1 1 133 133 ASP H H 1 8.4278 0.050 . 1 . . . . 133 ASP H . 15470 1 1387 . 1 1 133 133 ASP HA H 1 4.4988 0.050 . 1 . . . . 133 ASP HA . 15470 1 1388 . 1 1 133 133 ASP HB2 H 1 2.9688 0.050 . 2 . . . . 133 ASP HB2 . 15470 1 1389 . 1 1 133 133 ASP HB3 H 1 2.5268 0.050 . 2 . . . . 133 ASP HB3 . 15470 1 1390 . 1 1 133 133 ASP C C 13 174.740 0.400 . 1 . . . . 133 ASP C . 15470 1 1391 . 1 1 133 133 ASP CA C 13 53.9868 0.400 . 1 . . . . 133 ASP CA . 15470 1 1392 . 1 1 133 133 ASP CB C 13 39.9928 0.400 . 1 . . . . 133 ASP CB . 15470 1 1393 . 1 1 133 133 ASP N N 15 120.564 0.400 . 1 . . . . 133 ASP N . 15470 1 1394 . 1 1 134 134 GLY H H 1 10.3178 0.050 . 1 . . . . 134 GLY H . 15470 1 1395 . 1 1 134 134 GLY HA2 H 1 4.0688 0.050 . 2 . . . . 134 GLY HA2 . 15470 1 1396 . 1 1 134 134 GLY HA3 H 1 3.4518 0.050 . 2 . . . . 134 GLY HA3 . 15470 1 1397 . 1 1 134 134 GLY C C 13 169.860 0.400 . 1 . . . . 134 GLY C . 15470 1 1398 . 1 1 134 134 GLY CA C 13 45.5158 0.400 . 1 . . . . 134 GLY CA . 15470 1 1399 . 1 1 134 134 GLY N N 15 112.342 0.400 . 1 . . . . 134 GLY N . 15470 1 1400 . 1 1 135 135 GLN H H 1 7.9788 0.050 . 1 . . . . 135 GLN H . 15470 1 1401 . 1 1 135 135 GLN HA H 1 4.9768 0.050 . 1 . . . . 135 GLN HA . 15470 1 1402 . 1 1 135 135 GLN HB2 H 1 1.7268 0.050 . 2 . . . . 135 GLN HB2 . 15470 1 1403 . 1 1 135 135 GLN HE21 H 1 6.5038 0.050 . 2 . . . . 135 GLN HE21 . 15470 1 1404 . 1 1 135 135 GLN HE22 H 1 5.9758 0.050 . 2 . . . . 135 GLN HE22 . 15470 1 1405 . 1 1 135 135 GLN HG2 H 1 2.0118 0.050 . 2 . . . . 135 GLN HG2 . 15470 1 1406 . 1 1 135 135 GLN HG3 H 1 1.6658 0.050 . 2 . . . . 135 GLN HG3 . 15470 1 1407 . 1 1 135 135 GLN C C 13 172.149 0.400 . 1 . . . . 135 GLN C . 15470 1 1408 . 1 1 135 135 GLN CA C 13 53.2138 0.400 . 1 . . . . 135 GLN CA . 15470 1 1409 . 1 1 135 135 GLN CB C 13 32.3578 0.400 . 1 . . . . 135 GLN CB . 15470 1 1410 . 1 1 135 135 GLN CG C 13 33.0208 0.400 . 1 . . . . 135 GLN CG . 15470 1 1411 . 1 1 135 135 GLN N N 15 114.483 0.400 . 1 . . . . 135 GLN N . 15470 1 1412 . 1 1 135 135 GLN NE2 N 15 108.133 0.400 . 1 . . . . 135 GLN NE2 . 15470 1 1413 . 1 1 136 136 VAL H H 1 9.1448 0.050 . 1 . . . . 136 VAL H . 15470 1 1414 . 1 1 136 136 VAL HA H 1 5.2068 0.050 . 1 . . . . 136 VAL HA . 15470 1 1415 . 1 1 136 136 VAL HB H 1 2.3778 0.050 . 1 . . . . 136 VAL HB . 15470 1 1416 . 1 1 136 136 VAL HG11 H 1 1.1408 0.050 . 2 . . . . 136 VAL HG1 . 15470 1 1417 . 1 1 136 136 VAL HG12 H 1 1.1408 0.050 . 2 . . . . 136 VAL HG1 . 15470 1 1418 . 1 1 136 136 VAL HG13 H 1 1.1408 0.050 . 2 . . . . 136 VAL HG1 . 15470 1 1419 . 1 1 136 136 VAL HG21 H 1 1.0668 0.050 . 2 . . . . 136 VAL HG2 . 15470 1 1420 . 1 1 136 136 VAL HG22 H 1 1.0668 0.050 . 2 . . . . 136 VAL HG2 . 15470 1 1421 . 1 1 136 136 VAL HG23 H 1 1.0668 0.050 . 2 . . . . 136 VAL HG2 . 15470 1 1422 . 1 1 136 136 VAL C C 13 172.968 0.400 . 1 . . . . 136 VAL C . 15470 1 1423 . 1 1 136 136 VAL CA C 13 61.6478 0.400 . 1 . . . . 136 VAL CA . 15470 1 1424 . 1 1 136 136 VAL CG1 C 13 23.0538 0.400 . 2 . . . . 136 VAL CG1 . 15470 1 1425 . 1 1 136 136 VAL CG2 C 13 21.0718 0.400 . 2 . . . . 136 VAL CG2 . 15470 1 1426 . 1 1 136 136 VAL N N 15 124.979 0.400 . 1 . . . . 136 VAL N . 15470 1 1427 . 1 1 137 137 ASN H H 1 9.6288 0.050 . 1 . . . . 137 ASN H . 15470 1 1428 . 1 1 137 137 ASN HA H 1 5.3468 0.050 . 1 . . . . 137 ASN HA . 15470 1 1429 . 1 1 137 137 ASN HB2 H 1 3.1808 0.050 . 2 . . . . 137 ASN HB2 . 15470 1 1430 . 1 1 137 137 ASN HD21 H 1 7.5038 0.050 . 2 . . . . 137 ASN HD21 . 15470 1 1431 . 1 1 137 137 ASN HD22 H 1 7.3288 0.050 . 2 . . . . 137 ASN HD22 . 15470 1 1432 . 1 1 137 137 ASN C C 13 171.857 0.400 . 1 . . . . 137 ASN C . 15470 1 1433 . 1 1 137 137 ASN CA C 13 50.7558 0.400 . 1 . . . . 137 ASN CA . 15470 1 1434 . 1 1 137 137 ASN CB C 13 38.3368 0.400 . 1 . . . . 137 ASN CB . 15470 1 1435 . 1 1 137 137 ASN N N 15 128.916 0.400 . 1 . . . . 137 ASN N . 15470 1 1436 . 1 1 137 137 ASN ND2 N 15 111.858 0.400 . 1 . . . . 137 ASN ND2 . 15470 1 1437 . 1 1 138 138 TYR H H 1 8.3428 0.050 . 1 . . . . 138 TYR H . 15470 1 1438 . 1 1 138 138 TYR HA H 1 3.2258 0.050 . 1 . . . . 138 TYR HA . 15470 1 1439 . 1 1 138 138 TYR HB2 H 1 2.3428 0.050 . 2 . . . . 138 TYR HB2 . 15470 1 1440 . 1 1 138 138 TYR HB3 H 1 2.0148 0.050 . 2 . . . . 138 TYR HB3 . 15470 1 1441 . 1 1 138 138 TYR HD1 H 1 6.2598 0.050 . 3 . . . . 138 TYR HD1 . 15470 1 1442 . 1 1 138 138 TYR HD2 H 1 6.2598 0.050 . 3 . . . . 138 TYR HD2 . 15470 1 1443 . 1 1 138 138 TYR HE1 H 1 6.4808 0.050 . 3 . . . . 138 TYR HE1 . 15470 1 1444 . 1 1 138 138 TYR HE2 H 1 6.4808 0.050 . 3 . . . . 138 TYR HE2 . 15470 1 1445 . 1 1 138 138 TYR C C 13 173.214 0.400 . 1 . . . . 138 TYR C . 15470 1 1446 . 1 1 138 138 TYR CA C 13 62.0288 0.400 . 1 . . . . 138 TYR CA . 15470 1 1447 . 1 1 138 138 TYR CB C 13 37.5368 0.400 . 1 . . . . 138 TYR CB . 15470 1 1448 . 1 1 138 138 TYR CD1 C 13 130.347 0.400 . 3 . . . . 138 TYR CD1 . 15470 1 1449 . 1 1 138 138 TYR CD2 C 13 130.347 0.400 . 3 . . . . 138 TYR CD2 . 15470 1 1450 . 1 1 138 138 TYR CE1 C 13 116.007 0.400 . 3 . . . . 138 TYR CE1 . 15470 1 1451 . 1 1 138 138 TYR CE2 C 13 116.007 0.400 . 3 . . . . 138 TYR CE2 . 15470 1 1452 . 1 1 138 138 TYR N N 15 118.187 0.400 . 1 . . . . 138 TYR N . 15470 1 1453 . 1 1 139 139 GLU H H 1 8.0338 0.050 . 1 . . . . 139 GLU H . 15470 1 1454 . 1 1 139 139 GLU HA H 1 3.5918 0.050 . 1 . . . . 139 GLU HA . 15470 1 1455 . 1 1 139 139 GLU HB2 H 1 2.0058 0.050 . 2 . . . . 139 GLU HB2 . 15470 1 1456 . 1 1 139 139 GLU HG2 H 1 2.3258 0.050 . 2 . . . . 139 GLU HG2 . 15470 1 1457 . 1 1 139 139 GLU HG3 H 1 2.2958 0.050 . 2 . . . . 139 GLU HG3 . 15470 1 1458 . 1 1 139 139 GLU C C 13 177.373 0.400 . 1 . . . . 139 GLU C . 15470 1 1459 . 1 1 139 139 GLU CA C 13 59.7578 0.400 . 1 . . . . 139 GLU CA . 15470 1 1460 . 1 1 139 139 GLU CG C 13 35.8908 0.400 . 1 . . . . 139 GLU CG . 15470 1 1461 . 1 1 139 139 GLU N N 15 117.957 0.400 . 1 . . . . 139 GLU N . 15470 1 1462 . 1 1 140 140 GLU H H 1 8.7048 0.050 . 1 . . . . 140 GLU H . 15470 1 1463 . 1 1 140 140 GLU HA H 1 3.8288 0.050 . 1 . . . . 140 GLU HA . 15470 1 1464 . 1 1 140 140 GLU HB2 H 1 2.1588 0.050 . 2 . . . . 140 GLU HB2 . 15470 1 1465 . 1 1 140 140 GLU HB3 H 1 1.9918 0.050 . 2 . . . . 140 GLU HB3 . 15470 1 1466 . 1 1 140 140 GLU HG2 H 1 2.8448 0.050 . 2 . . . . 140 GLU HG2 . 15470 1 1467 . 1 1 140 140 GLU HG3 H 1 2.3648 0.050 . 2 . . . . 140 GLU HG3 . 15470 1 1468 . 1 1 140 140 GLU C C 13 176.476 0.400 . 1 . . . . 140 GLU C . 15470 1 1469 . 1 1 140 140 GLU CA C 13 58.5078 0.400 . 1 . . . . 140 GLU CA . 15470 1 1470 . 1 1 140 140 GLU CB C 13 28.8998 0.400 . 1 . . . . 140 GLU CB . 15470 1 1471 . 1 1 140 140 GLU CG C 13 37.4508 0.400 . 1 . . . . 140 GLU CG . 15470 1 1472 . 1 1 140 140 GLU N N 15 119.391 0.400 . 1 . . . . 140 GLU N . 15470 1 1473 . 1 1 141 141 PHE H H 1 8.4738 0.050 . 1 . . . . 141 PHE H . 15470 1 1474 . 1 1 141 141 PHE HA H 1 3.3988 0.050 . 1 . . . . 141 PHE HA . 15470 1 1475 . 1 1 141 141 PHE HB2 H 1 3.2698 0.050 . 2 . . . . 141 PHE HB2 . 15470 1 1476 . 1 1 141 141 PHE HB3 H 1 2.8878 0.050 . 2 . . . . 141 PHE HB3 . 15470 1 1477 . 1 1 141 141 PHE HD1 H 1 6.6488 0.050 . 3 . . . . 141 PHE HD1 . 15470 1 1478 . 1 1 141 141 PHE HD2 H 1 6.6488 0.050 . 3 . . . . 141 PHE HD2 . 15470 1 1479 . 1 1 141 141 PHE HE1 H 1 7.0578 0.050 . 3 . . . . 141 PHE HE1 . 15470 1 1480 . 1 1 141 141 PHE HE2 H 1 7.0578 0.050 . 3 . . . . 141 PHE HE2 . 15470 1 1481 . 1 1 141 141 PHE HZ H 1 8.5208 0.050 . 1 . . . . 141 PHE HZ . 15470 1 1482 . 1 1 141 141 PHE C C 13 173.478 0.400 . 1 . . . . 141 PHE C . 15470 1 1483 . 1 1 141 141 PHE CA C 13 61.5828 0.400 . 1 . . . . 141 PHE CA . 15470 1 1484 . 1 1 141 141 PHE CB C 13 39.8728 0.400 . 1 . . . . 141 PHE CB . 15470 1 1485 . 1 1 141 141 PHE CD1 C 13 129.982 0.400 . 3 . . . . 141 PHE CD1 . 15470 1 1486 . 1 1 141 141 PHE CD2 C 13 129.982 0.400 . 3 . . . . 141 PHE CD2 . 15470 1 1487 . 1 1 141 141 PHE CE1 C 13 129.459 0.400 . 3 . . . . 141 PHE CE1 . 15470 1 1488 . 1 1 141 141 PHE CE2 C 13 129.466 0.400 . 3 . . . . 141 PHE CE2 . 15470 1 1489 . 1 1 141 141 PHE N N 15 123.444 0.400 . 1 . . . . 141 PHE N . 15470 1 1490 . 1 1 142 142 VAL H H 1 8.6118 0.050 . 1 . . . . 142 VAL H . 15470 1 1491 . 1 1 142 142 VAL HA H 1 2.9608 0.050 . 1 . . . . 142 VAL HA . 15470 1 1492 . 1 1 142 142 VAL HB H 1 1.7098 0.050 . 1 . . . . 142 VAL HB . 15470 1 1493 . 1 1 142 142 VAL HG11 H 1 0.6598 0.050 . 2 . . . . 142 VAL HG1 . 15470 1 1494 . 1 1 142 142 VAL HG12 H 1 0.6598 0.050 . 2 . . . . 142 VAL HG1 . 15470 1 1495 . 1 1 142 142 VAL HG13 H 1 0.6598 0.050 . 2 . . . . 142 VAL HG1 . 15470 1 1496 . 1 1 142 142 VAL HG21 H 1 0.4038 0.050 . 2 . . . . 142 VAL HG2 . 15470 1 1497 . 1 1 142 142 VAL HG22 H 1 0.4038 0.050 . 2 . . . . 142 VAL HG2 . 15470 1 1498 . 1 1 142 142 VAL HG23 H 1 0.4038 0.050 . 2 . . . . 142 VAL HG2 . 15470 1 1499 . 1 1 142 142 VAL C C 13 176.735 0.400 . 1 . . . . 142 VAL C . 15470 1 1500 . 1 1 142 142 VAL CA C 13 66.8108 0.400 . 1 . . . . 142 VAL CA . 15470 1 1501 . 1 1 142 142 VAL CB C 13 31.3188 0.400 . 1 . . . . 142 VAL CB . 15470 1 1502 . 1 1 142 142 VAL CG1 C 13 21.1198 0.400 . 2 . . . . 142 VAL CG1 . 15470 1 1503 . 1 1 142 142 VAL CG2 C 13 22.8868 0.400 . 2 . . . . 142 VAL CG2 . 15470 1 1504 . 1 1 142 142 VAL N N 15 118.366 0.400 . 1 . . . . 142 VAL N . 15470 1 1505 . 1 1 143 143 GLN H H 1 7.8028 0.050 . 1 . . . . 143 GLN H . 15470 1 1506 . 1 1 143 143 GLN HA H 1 3.7798 0.050 . 1 . . . . 143 GLN HA . 15470 1 1507 . 1 1 143 143 GLN HB2 H 1 2.0018 0.050 . 2 . . . . 143 GLN HB2 . 15470 1 1508 . 1 1 143 143 GLN HE21 H 1 7.3518 0.050 . 2 . . . . 143 GLN HE21 . 15470 1 1509 . 1 1 143 143 GLN HE22 H 1 6.7088 0.050 . 2 . . . . 143 GLN HE22 . 15470 1 1510 . 1 1 143 143 GLN HG2 H 1 2.3288 0.050 . 2 . . . . 143 GLN HG2 . 15470 1 1511 . 1 1 143 143 GLN CA C 13 58.7918 0.400 . 1 . . . . 143 GLN CA . 15470 1 1512 . 1 1 143 143 GLN CB C 13 27.9958 0.400 . 1 . . . . 143 GLN CB . 15470 1 1513 . 1 1 143 143 GLN CG C 13 33.7228 0.400 . 1 . . . . 143 GLN CG . 15470 1 1514 . 1 1 143 143 GLN N N 15 119.002 0.400 . 1 . . . . 143 GLN N . 15470 1 1515 . 1 1 143 143 GLN NE2 N 15 111.126 0.400 . 1 . . . . 143 GLN NE2 . 15470 1 1516 . 1 1 144 144 MET H H 1 7.3888 0.050 . 1 . . . . 144 MET H . 15470 1 1517 . 1 1 144 144 MET HA H 1 4.1898 0.050 . 1 . . . . 144 MET HA . 15470 1 1518 . 1 1 144 144 MET HB2 H 1 1.4298 0.050 . 2 . . . . 144 MET HB2 . 15470 1 1519 . 1 1 144 144 MET HE1 H 1 1.6808 0.050 . 1 . . . . 144 MET HE . 15470 1 1520 . 1 1 144 144 MET HE2 H 1 1.6808 0.050 . 1 . . . . 144 MET HE . 15470 1 1521 . 1 1 144 144 MET HE3 H 1 1.6808 0.050 . 1 . . . . 144 MET HE . 15470 1 1522 . 1 1 144 144 MET HG2 H 1 1.6998 0.050 . 2 . . . . 144 MET HG2 . 15470 1 1523 . 1 1 144 144 MET C C 13 173.938 0.400 . 1 . . . . 144 MET C . 15470 1 1524 . 1 1 144 144 MET CA C 13 56.4348 0.400 . 1 . . . . 144 MET CA . 15470 1 1525 . 1 1 144 144 MET CE C 13 16.0918 0.400 . 1 . . . . 144 MET CE . 15470 1 1526 . 1 1 144 144 MET CG C 13 30.6068 0.400 . 1 . . . . 144 MET CG . 15470 1 1527 . 1 1 144 144 MET N N 15 116.678 0.400 . 1 . . . . 144 MET N . 15470 1 1528 . 1 1 145 145 MET H H 1 7.3048 0.050 . 1 . . . . 145 MET H . 15470 1 1529 . 1 1 145 145 MET HA H 1 4.0238 0.050 . 1 . . . . 145 MET HA . 15470 1 1530 . 1 1 145 145 MET HB2 H 1 1.4938 0.050 . 2 . . . . 145 MET HB2 . 15470 1 1531 . 1 1 145 145 MET HB3 H 1 1.1088 0.050 . 2 . . . . 145 MET HB3 . 15470 1 1532 . 1 1 145 145 MET HE1 H 1 1.1438 0.050 . 1 . . . . 145 MET HE . 15470 1 1533 . 1 1 145 145 MET HE2 H 1 1.1438 0.050 . 1 . . . . 145 MET HE . 15470 1 1534 . 1 1 145 145 MET HE3 H 1 1.1438 0.050 . 1 . . . . 145 MET HE . 15470 1 1535 . 1 1 145 145 MET HG2 H 1 1.4608 0.050 . 2 . . . . 145 MET HG2 . 15470 1 1536 . 1 1 145 145 MET HG3 H 1 1.3398 0.050 . 2 . . . . 145 MET HG3 . 15470 1 1537 . 1 1 145 145 MET C C 13 174.791 0.400 . 1 . . . . 145 MET C . 15470 1 1538 . 1 1 145 145 MET CA C 13 55.0798 0.400 . 1 . . . . 145 MET CA . 15470 1 1539 . 1 1 145 145 MET CB C 13 32.0368 0.400 . 1 . . . . 145 MET CB . 15470 1 1540 . 1 1 145 145 MET CE C 13 18.1958 0.400 . 1 . . . . 145 MET CE . 15470 1 1541 . 1 1 145 145 MET CG C 13 32.2298 0.400 . 1 . . . . 145 MET CG . 15470 1 1542 . 1 1 145 145 MET N N 15 112.325 0.400 . 1 . . . . 145 MET N . 15470 1 1543 . 1 1 146 146 THR H H 1 7.4728 0.050 . 1 . . . . 146 THR H . 15470 1 1544 . 1 1 146 146 THR HA H 1 4.2518 0.050 . 1 . . . . 146 THR HA . 15470 1 1545 . 1 1 146 146 THR HB H 1 4.1468 0.050 . 1 . . . . 146 THR HB . 15470 1 1546 . 1 1 146 146 THR HG21 H 1 1.0658 0.050 . 1 . . . . 146 THR HG2 . 15470 1 1547 . 1 1 146 146 THR HG22 H 1 1.0658 0.050 . 1 . . . . 146 THR HG2 . 15470 1 1548 . 1 1 146 146 THR HG23 H 1 1.0658 0.050 . 1 . . . . 146 THR HG2 . 15470 1 1549 . 1 1 146 146 THR C C 13 171.522 0.400 . 1 . . . . 146 THR C . 15470 1 1550 . 1 1 146 146 THR CA C 13 61.8998 0.400 . 1 . . . . 146 THR CA . 15470 1 1551 . 1 1 146 146 THR CB C 13 70.5428 0.400 . 1 . . . . 146 THR CB . 15470 1 1552 . 1 1 146 146 THR CG2 C 13 21.1358 0.400 . 1 . . . . 146 THR CG2 . 15470 1 1553 . 1 1 146 146 THR N N 15 108.155 0.400 . 1 . . . . 146 THR N . 15470 1 1554 . 1 1 147 147 ALA H H 1 7.8608 0.050 . 1 . . . . 147 ALA H . 15470 1 1555 . 1 1 147 147 ALA HA H 1 4.3328 0.050 . 1 . . . . 147 ALA HA . 15470 1 1556 . 1 1 147 147 ALA HB1 H 1 1.3908 0.050 . 1 . . . . 147 ALA HB . 15470 1 1557 . 1 1 147 147 ALA HB2 H 1 1.3908 0.050 . 1 . . . . 147 ALA HB . 15470 1 1558 . 1 1 147 147 ALA HB3 H 1 1.3908 0.050 . 1 . . . . 147 ALA HB . 15470 1 1559 . 1 1 147 147 ALA C C 13 174.107 0.400 . 1 . . . . 147 ALA C . 15470 1 1560 . 1 1 147 147 ALA CA C 13 52.4268 0.400 . 1 . . . . 147 ALA CA . 15470 1 1561 . 1 1 147 147 ALA CB C 13 19.0508 0.400 . 1 . . . . 147 ALA CB . 15470 1 1562 . 1 1 147 147 ALA N N 15 126.675 0.400 . 1 . . . . 147 ALA N . 15470 1 1563 . 1 1 148 148 LYS H H 1 8.0078 0.050 . 1 . . . . 148 LYS H . 15470 1 1564 . 1 1 148 148 LYS HA H 1 4.0798 0.050 . 1 . . . . 148 LYS HA . 15470 1 1565 . 1 1 148 148 LYS HB2 H 1 1.7998 0.050 . 2 . . . . 148 LYS HB2 . 15470 1 1566 . 1 1 148 148 LYS HB3 H 1 1.7308 0.050 . 2 . . . . 148 LYS HB3 . 15470 1 1567 . 1 1 148 148 LYS HD2 H 1 1.6478 0.050 . 2 . . . . 148 LYS HD2 . 15470 1 1568 . 1 1 148 148 LYS HE2 H 1 2.9868 0.050 . 2 . . . . 148 LYS HE2 . 15470 1 1569 . 1 1 148 148 LYS HG2 H 1 1.3938 0.050 . 2 . . . . 148 LYS HG2 . 15470 1 1570 . 1 1 148 148 LYS CA C 13 57.6978 0.400 . 1 . . . . 148 LYS CA . 15470 1 1571 . 1 1 148 148 LYS CD C 13 28.8568 0.400 . 1 . . . . 148 LYS CD . 15470 1 1572 . 1 1 148 148 LYS CE C 13 41.6988 0.400 . 1 . . . . 148 LYS CE . 15470 1 1573 . 1 1 148 148 LYS CG C 13 24.7878 0.400 . 1 . . . . 148 LYS CG . 15470 1 1574 . 1 1 148 148 LYS N N 15 126.400 0.400 . 1 . . . . 148 LYS N . 15470 1 1575 . 2 2 2 2 SER H H 1 8.193 0.05 . 1 . . . . 458 SER H . 15470 1 1576 . 2 2 2 2 SER HB2 H 1 3.879 0.05 . 2 . . . . 458 SER HB2 . 15470 1 1577 . 2 2 2 2 SER C C 13 172.550 0.5 . 1 . . . . 458 SER C . 15470 1 1578 . 2 2 2 2 SER CA C 13 55.709 0.5 . 1 . . . . 458 SER CA . 15470 1 1579 . 2 2 2 2 SER CB C 13 61.137 0.5 . 1 . . . . 458 SER CB . 15470 1 1580 . 2 2 2 2 SER N N 15 120.637 0.5 . 1 . . . . 458 SER N . 15470 1 1581 . 2 2 3 3 ARG H H 1 8.654 0.05 . 1 . . . . 459 ARG H . 15470 1 1582 . 2 2 3 3 ARG HA H 1 3.838 0.05 . 1 . . . . 459 ARG HA . 15470 1 1583 . 2 2 3 3 ARG HG2 H 1 1.546 0.05 . 2 . . . . 459 ARG HG2 . 15470 1 1584 . 2 2 3 3 ARG C C 13 174.192 0.5 . 1 . . . . 459 ARG C . 15470 1 1585 . 2 2 3 3 ARG CA C 13 55.993 0.5 . 1 . . . . 459 ARG CA . 15470 1 1586 . 2 2 3 3 ARG CB C 13 27.411 0.5 . 1 . . . . 459 ARG CB . 15470 1 1587 . 2 2 3 3 ARG CG C 13 23.675 0.5 . 1 . . . . 459 ARG CG . 15470 1 1588 . 2 2 3 3 ARG N N 15 125.365 0.5 . 1 . . . . 459 ARG N . 15470 1 1589 . 2 2 4 4 ALA H H 1 8.193 0.05 . 1 . . . . 460 ALA H . 15470 1 1590 . 2 2 4 4 ALA HA H 1 4.164 0.05 . 1 . . . . 460 ALA HA . 15470 1 1591 . 2 2 4 4 ALA HB1 H 1 1.353 0.05 . 1 . . . . 460 ALA HB . 15470 1 1592 . 2 2 4 4 ALA HB2 H 1 1.353 0.05 . 1 . . . . 460 ALA HB . 15470 1 1593 . 2 2 4 4 ALA HB3 H 1 1.353 0.05 . 1 . . . . 460 ALA HB . 15470 1 1594 . 2 2 4 4 ALA C C 13 176.557 0.5 . 1 . . . . 460 ALA C . 15470 1 1595 . 2 2 4 4 ALA CA C 13 52.358 0.5 . 1 . . . . 460 ALA CA . 15470 1 1596 . 2 2 4 4 ALA CB C 13 15.958 0.5 . 1 . . . . 460 ALA CB . 15470 1 1597 . 2 2 4 4 ALA N N 15 120.862 0.5 . 1 . . . . 460 ALA N . 15470 1 1598 . 2 2 5 5 LYS H H 1 7.9 0.05 . 1 . . . . 461 LYS H . 15470 1 1599 . 2 2 5 5 LYS HA H 1 4.185 0.05 . 1 . . . . 461 LYS HA . 15470 1 1600 . 2 2 5 5 LYS HB2 H 1 1.895 0.05 . 2 . . . . 461 LYS HB2 . 15470 1 1601 . 2 2 5 5 LYS HB3 H 1 1.863 0.05 . 2 . . . . 461 LYS HB3 . 15470 1 1602 . 2 2 5 5 LYS C C 13 175.175 0.5 . 1 . . . . 461 LYS C . 15470 1 1603 . 2 2 5 5 LYS CA C 13 56.959 0.5 . 1 . . . . 461 LYS CA . 15470 1 1604 . 2 2 5 5 LYS CB C 13 28.819 0.5 . 1 . . . . 461 LYS CB . 15470 1 1605 . 2 2 5 5 LYS CD C 13 26.742 0.5 . 1 . . . . 461 LYS CD . 15470 1 1606 . 2 2 5 5 LYS N N 15 118.064 0.5 . 1 . . . . 461 LYS N . 15470 1 1607 . 2 2 6 6 ALA H H 1 7.778 0.05 . 1 . . . . 462 ALA H . 15470 1 1608 . 2 2 6 6 ALA HA H 1 4.06 0.05 . 1 . . . . 462 ALA HA . 15470 1 1609 . 2 2 6 6 ALA HB1 H 1 1.444 0.05 . 1 . . . . 462 ALA HB . 15470 1 1610 . 2 2 6 6 ALA HB2 H 1 1.444 0.05 . 1 . . . . 462 ALA HB . 15470 1 1611 . 2 2 6 6 ALA HB3 H 1 1.444 0.05 . 1 . . . . 462 ALA HB . 15470 1 1612 . 2 2 6 6 ALA C C 13 178.002 0.5 . 1 . . . . 462 ALA C . 15470 1 1613 . 2 2 6 6 ALA CA C 13 52.15 0.5 . 1 . . . . 462 ALA CA . 15470 1 1614 . 2 2 6 6 ALA CB C 13 14.865 0.5 . 1 . . . . 462 ALA CB . 15470 1 1615 . 2 2 6 6 ALA N N 15 120.253 0.5 . 1 . . . . 462 ALA N . 15470 1 1616 . 2 2 7 7 ASN H H 1 8.372 0.05 . 1 . . . . 463 ASN H . 15470 1 1617 . 2 2 7 7 ASN HA H 1 4.459 0.05 . 1 . . . . 463 ASN HA . 15470 1 1618 . 2 2 7 7 ASN HB2 H 1 2.858 0.05 . 2 . . . . 463 ASN HB2 . 15470 1 1619 . 2 2 7 7 ASN HB3 H 1 2.683 0.05 . 2 . . . . 463 ASN HB3 . 15470 1 1620 . 2 2 7 7 ASN C C 13 175.009 0.5 . 1 . . . . 463 ASN C . 15470 1 1621 . 2 2 7 7 ASN CA C 13 53.033 0.5 . 1 . . . . 463 ASN CA . 15470 1 1622 . 2 2 7 7 ASN CB C 13 35.5 0.5 . 1 . . . . 463 ASN CB . 15470 1 1623 . 2 2 7 7 ASN N N 15 118.243 0.5 . 1 . . . . 463 ASN N . 15470 1 1624 . 2 2 8 8 TRP H H 1 8.533 0.05 . 1 . . . . 464 TRP H . 15470 1 1625 . 2 2 8 8 TRP HA H 1 4.203 0.05 . 1 . . . . 464 TRP HA . 15470 1 1626 . 2 2 8 8 TRP HB2 H 1 3.382 0.05 . 2 . . . . 464 TRP HB2 . 15470 1 1627 . 2 2 8 8 TRP HB3 H 1 2.867 0.05 . 2 . . . . 464 TRP HB3 . 15470 1 1628 . 2 2 8 8 TRP HD1 H 1 7.313 0.05 . 1 . . . . 464 TRP HD1 . 15470 1 1629 . 2 2 8 8 TRP HE1 H 1 10.381 0.05 . 1 . . . . 464 TRP HE1 . 15470 1 1630 . 2 2 8 8 TRP HH2 H 1 6.987 0.05 . 1 . . . . 464 TRP HH2 . 15470 1 1631 . 2 2 8 8 TRP HZ2 H 1 7.128 0.05 . 1 . . . . 464 TRP HZ2 . 15470 1 1632 . 2 2 8 8 TRP C C 13 175.578 0.5 . 1 . . . . 464 TRP C . 15470 1 1633 . 2 2 8 8 TRP CA C 13 58.19 0.5 . 1 . . . . 464 TRP CA . 15470 1 1634 . 2 2 8 8 TRP CB C 13 26.538 0.5 . 1 . . . . 464 TRP CB . 15470 1 1635 . 2 2 8 8 TRP CD1 C 13 128.771 0.5 . 1 . . . . 464 TRP CD1 . 15470 1 1636 . 2 2 8 8 TRP N N 15 121.805 0.5 . 1 . . . . 464 TRP N . 15470 1 1637 . 2 2 8 8 TRP NE1 N 15 129.285 0.5 . 1 . . . . 464 TRP NE1 . 15470 1 1638 . 2 2 9 9 LEU H H 1 8.264 0.05 . 1 . . . . 465 LEU H . 15470 1 1639 . 2 2 9 9 LEU HA H 1 4.172 0.05 . 1 . . . . 465 LEU HA . 15470 1 1640 . 2 2 9 9 LEU HB2 H 1 1.841 0.05 . 2 . . . . 465 LEU HB2 . 15470 1 1641 . 2 2 9 9 LEU HB3 H 1 1.6 0.05 . 2 . . . . 465 LEU HB3 . 15470 1 1642 . 2 2 9 9 LEU HD11 H 1 0.881 0.05 . 2 . . . . 465 LEU HD1 . 15470 1 1643 . 2 2 9 9 LEU HD12 H 1 0.881 0.05 . 2 . . . . 465 LEU HD1 . 15470 1 1644 . 2 2 9 9 LEU HD13 H 1 0.881 0.05 . 2 . . . . 465 LEU HD1 . 15470 1 1645 . 2 2 9 9 LEU HD21 H 1 0.886 0.05 . 2 . . . . 465 LEU HD2 . 15470 1 1646 . 2 2 9 9 LEU HD22 H 1 0.886 0.05 . 2 . . . . 465 LEU HD2 . 15470 1 1647 . 2 2 9 9 LEU HD23 H 1 0.886 0.05 . 2 . . . . 465 LEU HD2 . 15470 1 1648 . 2 2 9 9 LEU HG H 1 1.785 0.05 . 1 . . . . 465 LEU HG . 15470 1 1649 . 2 2 9 9 LEU C C 13 176.568 0.5 . 1 . . . . 465 LEU C . 15470 1 1650 . 2 2 9 9 LEU CA C 13 55.499 0.5 . 1 . . . . 465 LEU CA . 15470 1 1651 . 2 2 9 9 LEU CB C 13 38.641 0.5 . 1 . . . . 465 LEU CB . 15470 1 1652 . 2 2 9 9 LEU CD1 C 13 21.682 0.5 . 1 . . . . 465 LEU CD1 . 15470 1 1653 . 2 2 9 9 LEU CG C 13 23.208 0.5 . 1 . . . . 465 LEU CG . 15470 1 1654 . 2 2 9 9 LEU N N 15 118.722 0.5 . 1 . . . . 465 LEU N . 15470 1 1655 . 2 2 10 10 ARG H H 1 8.264 0.05 . 1 . . . . 466 ARG H . 15470 1 1656 . 2 2 10 10 ARG HA H 1 4.128 0.05 . 1 . . . . 466 ARG HA . 15470 1 1657 . 2 2 10 10 ARG HB2 H 1 1.927 0.05 . 2 . . . . 466 ARG HB2 . 15470 1 1658 . 2 2 10 10 ARG HD2 H 1 3.251 0.05 . 2 . . . . 466 ARG HD2 . 15470 1 1659 . 2 2 10 10 ARG HG2 H 1 0.882 0.05 . 2 . . . . 466 ARG HG2 . 15470 1 1660 . 2 2 10 10 ARG C C 13 175.900 0.5 . 1 . . . . 466 ARG C . 15470 1 1661 . 2 2 10 10 ARG CA C 13 56.888 0.5 . 1 . . . . 466 ARG CA . 15470 1 1662 . 2 2 10 10 ARG CB C 13 27.368 0.5 . 1 . . . . 466 ARG CB . 15470 1 1663 . 2 2 10 10 ARG CG C 13 23.738 0.5 . 1 . . . . 466 ARG CG . 15470 1 1664 . 2 2 10 10 ARG N N 15 120.684 0.5 . 1 . . . . 466 ARG N . 15470 1 1665 . 2 2 11 11 ALA H H 1 8.067 0.05 . 1 . . . . 467 ALA H . 15470 1 1666 . 2 2 11 11 ALA HA H 1 3.978 0.05 . 1 . . . . 467 ALA HA . 15470 1 1667 . 2 2 11 11 ALA HB1 H 1 1.584 0.05 . 1 . . . . 467 ALA HB . 15470 1 1668 . 2 2 11 11 ALA HB2 H 1 1.584 0.05 . 1 . . . . 467 ALA HB . 15470 1 1669 . 2 2 11 11 ALA HB3 H 1 1.584 0.05 . 1 . . . . 467 ALA HB . 15470 1 1670 . 2 2 11 11 ALA C C 13 175.888 0.5 . 1 . . . . 467 ALA C . 15470 1 1671 . 2 2 11 11 ALA CA C 13 52.558 0.5 . 1 . . . . 467 ALA CA . 15470 1 1672 . 2 2 11 11 ALA CB C 13 16.041 0.5 . 1 . . . . 467 ALA CB . 15470 1 1673 . 2 2 11 11 ALA N N 15 121.482 0.5 . 1 . . . . 467 ALA N . 15470 1 1674 . 2 2 12 12 PHE H H 1 9.052 0.05 . 1 . . . . 468 PHE H . 15470 1 1675 . 2 2 12 12 PHE HA H 1 4.35 0.05 . 1 . . . . 468 PHE HA . 15470 1 1676 . 2 2 12 12 PHE HB2 H 1 3.418 0.05 . 2 . . . . 468 PHE HB2 . 15470 1 1677 . 2 2 12 12 PHE HB3 H 1 3.354 0.05 . 2 . . . . 468 PHE HB3 . 15470 1 1678 . 2 2 12 12 PHE HD1 H 1 7.082 0.05 . 3 . . . . 468 PHE HD1 . 15470 1 1679 . 2 2 12 12 PHE HD2 H 1 7.082 0.05 . 3 . . . . 468 PHE HD2 . 15470 1 1680 . 2 2 12 12 PHE HE1 H 1 7.157 0.05 . 3 . . . . 468 PHE HE1 . 15470 1 1681 . 2 2 12 12 PHE HE2 H 1 7.157 0.05 . 3 . . . . 468 PHE HE2 . 15470 1 1682 . 2 2 12 12 PHE C C 13 173.951 0.5 . 1 . . . . 468 PHE C . 15470 1 1683 . 2 2 12 12 PHE CA C 13 58.326 0.5 . 1 . . . . 468 PHE CA . 15470 1 1684 . 2 2 12 12 PHE CB C 13 37.668 0.5 . 1 . . . . 468 PHE CB . 15470 1 1685 . 2 2 12 12 PHE CE1 C 13 129.841 0.5 . 3 . . . . 468 PHE CE1 . 15470 1 1686 . 2 2 12 12 PHE CE2 C 13 129.841 0.5 . 3 . . . . 468 PHE CE2 . 15470 1 1687 . 2 2 12 12 PHE N N 15 117.615 0.5 . 1 . . . . 468 PHE N . 15470 1 1688 . 2 2 13 13 ASN H H 1 8.602 0.05 . 1 . . . . 469 ASN H . 15470 1 1689 . 2 2 13 13 ASN HA H 1 4.166 0.05 . 1 . . . . 469 ASN HA . 15470 1 1690 . 2 2 13 13 ASN HB2 H 1 2.95 0.05 . 2 . . . . 469 ASN HB2 . 15470 1 1691 . 2 2 13 13 ASN HB3 H 1 2.703 0.05 . 2 . . . . 469 ASN HB3 . 15470 1 1692 . 2 2 13 13 ASN C C 13 174.785 0.5 . 1 . . . . 469 ASN C . 15470 1 1693 . 2 2 13 13 ASN CA C 13 53.709 0.5 . 1 . . . . 469 ASN CA . 15470 1 1694 . 2 2 13 13 ASN CB C 13 35.325 0.5 . 1 . . . . 469 ASN CB . 15470 1 1695 . 2 2 13 13 ASN N N 15 116.425 0.5 . 1 . . . . 469 ASN N . 15470 1 1696 . 2 2 14 14 LYS H H 1 8.076 0.05 . 1 . . . . 470 LYS H . 15470 1 1697 . 2 2 14 14 LYS HA H 1 4.045 0.05 . 1 . . . . 470 LYS HA . 15470 1 1698 . 2 2 14 14 LYS HB2 H 1 2.01 0.05 . 2 . . . . 470 LYS HB2 . 15470 1 1699 . 2 2 14 14 LYS HB3 H 1 1.839 0.05 . 2 . . . . 470 LYS HB3 . 15470 1 1700 . 2 2 14 14 LYS HD2 H 1 1.681 0.05 . 2 . . . . 470 LYS HD2 . 15470 1 1701 . 2 2 14 14 LYS HD3 H 1 1.617 0.05 . 2 . . . . 470 LYS HD3 . 15470 1 1702 . 2 2 14 14 LYS HE2 H 1 2.928 0.05 . 2 . . . . 470 LYS HE2 . 15470 1 1703 . 2 2 14 14 LYS HG2 H 1 1.681 0.05 . 2 . . . . 470 LYS HG2 . 15470 1 1704 . 2 2 14 14 LYS HG3 H 1 1.4 0.05 . 2 . . . . 470 LYS HG3 . 15470 1 1705 . 2 2 14 14 LYS C C 13 176.194 0.5 . 1 . . . . 470 LYS C . 15470 1 1706 . 2 2 14 14 LYS CA C 13 57.174 0.5 . 1 . . . . 470 LYS CA . 15470 1 1707 . 2 2 14 14 LYS CB C 13 30.526 0.5 . 1 . . . . 470 LYS CB . 15470 1 1708 . 2 2 14 14 LYS CD C 13 26.002 0.5 . 1 . . . . 470 LYS CD . 15470 1 1709 . 2 2 14 14 LYS CG C 13 22.045 0.5 . 1 . . . . 470 LYS CG . 15470 1 1710 . 2 2 14 14 LYS N N 15 119.958 0.5 . 1 . . . . 470 LYS N . 15470 1 1711 . 2 2 15 15 VAL H H 1 8.41 0.05 . 1 . . . . 471 VAL H . 15470 1 1712 . 2 2 15 15 VAL HA H 1 3.532 0.05 . 1 . . . . 471 VAL HA . 15470 1 1713 . 2 2 15 15 VAL HB H 1 2.218 0.05 . 1 . . . . 471 VAL HB . 15470 1 1714 . 2 2 15 15 VAL HG11 H 1 0.938 0.05 . 2 . . . . 471 VAL HG1 . 15470 1 1715 . 2 2 15 15 VAL HG12 H 1 0.938 0.05 . 2 . . . . 471 VAL HG1 . 15470 1 1716 . 2 2 15 15 VAL HG13 H 1 0.938 0.05 . 2 . . . . 471 VAL HG1 . 15470 1 1717 . 2 2 15 15 VAL HG21 H 1 0.839 0.05 . 2 . . . . 471 VAL HG2 . 15470 1 1718 . 2 2 15 15 VAL HG22 H 1 0.839 0.05 . 2 . . . . 471 VAL HG2 . 15470 1 1719 . 2 2 15 15 VAL HG23 H 1 0.839 0.05 . 2 . . . . 471 VAL HG2 . 15470 1 1720 . 2 2 15 15 VAL C C 13 174.970 0.5 . 1 . . . . 471 VAL C . 15470 1 1721 . 2 2 15 15 VAL CA C 13 64.19 0.5 . 1 . . . . 471 VAL CA . 15470 1 1722 . 2 2 15 15 VAL CB C 13 28.483 0.5 . 1 . . . . 471 VAL CB . 15470 1 1723 . 2 2 15 15 VAL CG1 C 13 22.436 0.5 . 2 . . . . 471 VAL CG1 . 15470 1 1724 . 2 2 15 15 VAL CG2 C 13 19.422 0.5 . 2 . . . . 471 VAL CG2 . 15470 1 1725 . 2 2 15 15 VAL N N 15 121.488 0.5 . 1 . . . . 471 VAL N . 15470 1 1726 . 2 2 16 16 ARG H H 1 8.639 0.05 . 1 . . . . 472 ARG H . 15470 1 1727 . 2 2 16 16 ARG HA H 1 3.763 0.05 . 1 . . . . 472 ARG HA . 15470 1 1728 . 2 2 16 16 ARG HB2 H 1 1.565 0.05 . 2 . . . . 472 ARG HB2 . 15470 1 1729 . 2 2 16 16 ARG HD2 H 1 3.333 0.05 . 2 . . . . 472 ARG HD2 . 15470 1 1730 . 2 2 16 16 ARG HD3 H 1 2.98 0.05 . 2 . . . . 472 ARG HD3 . 15470 1 1731 . 2 2 16 16 ARG HG2 H 1 1.335 0.05 . 2 . . . . 472 ARG HG2 . 15470 1 1732 . 2 2 16 16 ARG HG3 H 1 1.207 0.05 . 2 . . . . 472 ARG HG3 . 15470 1 1733 . 2 2 16 16 ARG C C 13 175.887 0.5 . 1 . . . . 472 ARG C . 15470 1 1734 . 2 2 16 16 ARG CA C 13 56.805 0.5 . 1 . . . . 472 ARG CA . 15470 1 1735 . 2 2 16 16 ARG CB C 13 26.506 0.5 . 1 . . . . 472 ARG CB . 15470 1 1736 . 2 2 16 16 ARG CD C 13 40.184 0.5 . 1 . . . . 472 ARG CD . 15470 1 1737 . 2 2 16 16 ARG CG C 13 22.439 0.5 . 1 . . . . 472 ARG CG . 15470 1 1738 . 2 2 16 16 ARG N N 15 119.209 0.5 . 1 . . . . 472 ARG N . 15470 1 1739 . 2 2 17 17 MET H H 1 7.701 0.05 . 1 . . . . 473 MET H . 15470 1 1740 . 2 2 17 17 MET HA H 1 4.105 0.05 . 1 . . . . 473 MET HA . 15470 1 1741 . 2 2 17 17 MET HB2 H 1 2.115 0.05 . 2 . . . . 473 MET HB2 . 15470 1 1742 . 2 2 17 17 MET HB3 H 1 2.1 0.05 . 2 . . . . 473 MET HB3 . 15470 1 1743 . 2 2 17 17 MET HE1 H 1 2.509 0.05 . 1 . . . . 473 MET HE . 15470 1 1744 . 2 2 17 17 MET HE2 H 1 2.509 0.05 . 1 . . . . 473 MET HE . 15470 1 1745 . 2 2 17 17 MET HE3 H 1 2.509 0.05 . 1 . . . . 473 MET HE . 15470 1 1746 . 2 2 17 17 MET HG2 H 1 2.186 0.05 . 2 . . . . 473 MET HG2 . 15470 1 1747 . 2 2 17 17 MET C C 13 175.604 0.5 . 1 . . . . 473 MET C . 15470 1 1748 . 2 2 17 17 MET CA C 13 55.673 0.5 . 1 . . . . 473 MET CA . 15470 1 1749 . 2 2 17 17 MET CB C 13 29.324 0.5 . 1 . . . . 473 MET CB . 15470 1 1750 . 2 2 17 17 MET CE C 13 14.99 0.5 . 1 . . . . 473 MET CE . 15470 1 1751 . 2 2 17 17 MET N N 15 117.427 0.5 . 1 . . . . 473 MET N . 15470 1 1752 . 2 2 18 18 GLN H H 1 7.733 0.05 . 1 . . . . 474 GLN H . 15470 1 1753 . 2 2 18 18 GLN HA H 1 4.049 0.05 . 1 . . . . 474 GLN HA . 15470 1 1754 . 2 2 18 18 GLN HB2 H 1 2.142 0.05 . 2 . . . . 474 GLN HB2 . 15470 1 1755 . 2 2 18 18 GLN HB3 H 1 2.084 0.05 . 2 . . . . 474 GLN HB3 . 15470 1 1756 . 2 2 18 18 GLN HG2 H 1 2.438 0.05 . 2 . . . . 474 GLN HG2 . 15470 1 1757 . 2 2 18 18 GLN HG3 H 1 2.262 0.05 . 2 . . . . 474 GLN HG3 . 15470 1 1758 . 2 2 18 18 GLN C C 13 175.931 0.5 . 1 . . . . 474 GLN C . 15470 1 1759 . 2 2 18 18 GLN CA C 13 55.976 0.5 . 1 . . . . 474 GLN CA . 15470 1 1760 . 2 2 18 18 GLN CB C 13 24.407 0.5 . 1 . . . . 474 GLN CB . 15470 1 1761 . 2 2 18 18 GLN CG C 13 31.276 0.5 . 1 . . . . 474 GLN CG . 15470 1 1762 . 2 2 18 18 GLN N N 15 119.752 0.5 . 1 . . . . 474 GLN N . 15470 1 1763 . 2 2 19 19 LEU H H 1 8.151 0.05 . 1 . . . . 475 LEU H . 15470 1 1764 . 2 2 19 19 LEU HA H 1 4.013 0.05 . 1 . . . . 475 LEU HA . 15470 1 1765 . 2 2 19 19 LEU HB2 H 1 1.871 0.05 . 2 . . . . 475 LEU HB2 . 15470 1 1766 . 2 2 19 19 LEU HB3 H 1 1.371 0.05 . 2 . . . . 475 LEU HB3 . 15470 1 1767 . 2 2 19 19 LEU HD11 H 1 0.733 0.05 . 2 . . . . 475 LEU HD1 . 15470 1 1768 . 2 2 19 19 LEU HD12 H 1 0.733 0.05 . 2 . . . . 475 LEU HD1 . 15470 1 1769 . 2 2 19 19 LEU HD13 H 1 0.733 0.05 . 2 . . . . 475 LEU HD1 . 15470 1 1770 . 2 2 19 19 LEU HD21 H 1 0.718 0.05 . 2 . . . . 475 LEU HD2 . 15470 1 1771 . 2 2 19 19 LEU HD22 H 1 0.718 0.05 . 2 . . . . 475 LEU HD2 . 15470 1 1772 . 2 2 19 19 LEU HD23 H 1 0.718 0.05 . 2 . . . . 475 LEU HD2 . 15470 1 1773 . 2 2 19 19 LEU HG H 1 1.78 0.05 . 1 . . . . 475 LEU HG . 15470 1 1774 . 2 2 19 19 LEU C C 13 176.150 0.5 . 1 . . . . 475 LEU C . 15470 1 1775 . 2 2 19 19 LEU CA C 13 54.386 0.5 . 1 . . . . 475 LEU CA . 15470 1 1776 . 2 2 19 19 LEU CB C 13 39.047 0.5 . 1 . . . . 475 LEU CB . 15470 1 1777 . 2 2 19 19 LEU CD1 C 13 24.762 0.5 . 2 . . . . 475 LEU CD1 . 15470 1 1778 . 2 2 19 19 LEU CD2 C 13 20.787 0.5 . 2 . . . . 475 LEU CD2 . 15470 1 1779 . 2 2 19 19 LEU CG C 13 25.563 0.5 . 1 . . . . 475 LEU CG . 15470 1 1780 . 2 2 19 19 LEU N N 15 120.063 0.5 . 1 . . . . 475 LEU N . 15470 1 1781 . 2 2 20 20 GLN H H 1 7.911 0.05 . 1 . . . . 476 GLN H . 15470 1 1782 . 2 2 20 20 GLN HA H 1 3.98 0.05 . 1 . . . . 476 GLN HA . 15470 1 1783 . 2 2 20 20 GLN HB2 H 1 2.33 0.05 . 2 . . . . 476 GLN HB2 . 15470 1 1784 . 2 2 20 20 GLN HB3 H 1 2.078 0.05 . 2 . . . . 476 GLN HB3 . 15470 1 1785 . 2 2 20 20 GLN HG2 H 1 2.412 0.05 . 2 . . . . 476 GLN HG2 . 15470 1 1786 . 2 2 20 20 GLN HG3 H 1 2.337 0.05 . 2 . . . . 476 GLN HG3 . 15470 1 1787 . 2 2 20 20 GLN C C 13 175.284 0.5 . 1 . . . . 476 GLN C . 15470 1 1788 . 2 2 20 20 GLN CA C 13 55.365 0.5 . 1 . . . . 476 GLN CA . 15470 1 1789 . 2 2 20 20 GLN CB C 13 25.474 0.5 . 1 . . . . 476 GLN CB . 15470 1 1790 . 2 2 20 20 GLN CG C 13 31.233 0.5 . 1 . . . . 476 GLN CG . 15470 1 1791 . 2 2 20 20 GLN N N 15 118.054 0.5 . 1 . . . . 476 GLN N . 15470 1 1792 . 2 2 21 21 GLU H H 1 7.975 0.05 . 1 . . . . 477 GLU H . 15470 1 1793 . 2 2 21 21 GLU HA H 1 4.016 0.05 . 1 . . . . 477 GLU HA . 15470 1 1794 . 2 2 21 21 GLU HB2 H 1 2.012 0.05 . 2 . . . . 477 GLU HB2 . 15470 1 1795 . 2 2 21 21 GLU HG2 H 1 2.31 0.05 . 2 . . . . 477 GLU HG2 . 15470 1 1796 . 2 2 21 21 GLU HG3 H 1 2.184 0.05 . 2 . . . . 477 GLU HG3 . 15470 1 1797 . 2 2 21 21 GLU C C 13 174.854 0.5 . 1 . . . . 477 GLU C . 15470 1 1798 . 2 2 21 21 GLU CA C 13 55.49 0.5 . 1 . . . . 477 GLU CA . 15470 1 1799 . 2 2 21 21 GLU CB C 13 26.666 0.5 . 1 . . . . 477 GLU CB . 15470 1 1800 . 2 2 21 21 GLU CG C 13 34.168 0.5 . 1 . . . . 477 GLU CG . 15470 1 1801 . 2 2 21 21 GLU N N 15 119.803 0.5 . 1 . . . . 477 GLU N . 15470 1 1802 . 2 2 22 22 ALA H H 1 7.726 0.05 . 1 . . . . 478 ALA H . 15470 1 1803 . 2 2 22 22 ALA HA H 1 4.19 0.05 . 1 . . . . 478 ALA HA . 15470 1 1804 . 2 2 22 22 ALA HB1 H 1 1.385 0.05 . 1 . . . . 478 ALA HB . 15470 1 1805 . 2 2 22 22 ALA HB2 H 1 1.385 0.05 . 1 . . . . 478 ALA HB . 15470 1 1806 . 2 2 22 22 ALA HB3 H 1 1.385 0.05 . 1 . . . . 478 ALA HB . 15470 1 1807 . 2 2 22 22 ALA C C 13 175.491 0.5 . 1 . . . . 478 ALA C . 15470 1 1808 . 2 2 22 22 ALA CA C 13 50.517 0.5 . 1 . . . . 478 ALA CA . 15470 1 1809 . 2 2 22 22 ALA CB C 13 15.961 0.5 . 1 . . . . 478 ALA CB . 15470 1 1810 . 2 2 22 22 ALA N N 15 121.648 0.5 . 1 . . . . 478 ALA N . 15470 1 1811 . 2 2 23 23 ARG H H 1 7.645 0.05 . 1 . . . . 479 ARG H . 15470 1 1812 . 2 2 23 23 ARG HA H 1 4.211 0.05 . 1 . . . . 479 ARG HA . 15470 1 1813 . 2 2 23 23 ARG HB2 H 1 1.834 0.05 . 2 . . . . 479 ARG HB2 . 15470 1 1814 . 2 2 23 23 ARG HD2 H 1 3.135 0.05 . 2 . . . . 479 ARG HD2 . 15470 1 1815 . 2 2 23 23 ARG HG2 H 1 1.678 0.05 . 2 . . . . 479 ARG HG2 . 15470 1 1816 . 2 2 23 23 ARG HG3 H 1 1.617 0.05 . 2 . . . . 479 ARG HG3 . 15470 1 1817 . 2 2 23 23 ARG C C 13 174.086 0.5 . 1 . . . . 479 ARG C . 15470 1 1818 . 2 2 23 23 ARG CA C 13 53.836 0.5 . 1 . . . . 479 ARG CA . 15470 1 1819 . 2 2 23 23 ARG CB C 13 27.401 0.5 . 1 . . . . 479 ARG CB . 15470 1 1820 . 2 2 23 23 ARG CD C 13 40.823 0.5 . 1 . . . . 479 ARG CD . 15470 1 1821 . 2 2 23 23 ARG CG C 13 24.527 0.5 . 1 . . . . 479 ARG CG . 15470 1 1822 . 2 2 23 23 ARG N N 15 117.484 0.5 . 1 . . . . 479 ARG N . 15470 1 1823 . 2 2 24 24 GLY H H 1 7.961 0.05 . 1 . . . . 480 GLY H . 15470 1 1824 . 2 2 24 24 GLY HA2 H 1 3.909 0.05 . 2 . . . . 480 GLY HA2 . 15470 1 1825 . 2 2 24 24 GLY HA3 H 1 3.909 0.05 . 2 . . . . 480 GLY HA3 . 15470 1 1826 . 2 2 24 24 GLY C C 13 171.195 0.5 . 1 . . . . 480 GLY C . 15470 1 1827 . 2 2 24 24 GLY CA C 13 42.457 0.5 . 1 . . . . 480 GLY CA . 15470 1 1828 . 2 2 24 24 GLY N N 15 107.622 0.5 . 1 . . . . 480 GLY N . 15470 1 1829 . 2 2 25 25 GLU H H 1 8.163 0.05 . 1 . . . . 481 GLU H . 15470 1 1830 . 2 2 25 25 GLU HA H 1 4.269 0.05 . 1 . . . . 481 GLU HA . 15470 1 1831 . 2 2 25 25 GLU HB2 H 1 2.049 0.05 . 2 . . . . 481 GLU HB2 . 15470 1 1832 . 2 2 25 25 GLU HB3 H 1 1.889 0.05 . 2 . . . . 481 GLU HB3 . 15470 1 1833 . 2 2 25 25 GLU HG2 H 1 2.202 0.05 . 2 . . . . 481 GLU HG2 . 15470 1 1834 . 2 2 25 25 GLU C C 13 174.077 0.5 . 1 . . . . 481 GLU C . 15470 1 1835 . 2 2 25 25 GLU CA C 13 53.78 0.5 . 1 . . . . 481 GLU CA . 15470 1 1836 . 2 2 25 25 GLU CB C 13 27.272 0.5 . 1 . . . . 481 GLU CB . 15470 1 1837 . 2 2 25 25 GLU CG C 13 33.333 0.5 . 1 . . . . 481 GLU CG . 15470 1 1838 . 2 2 25 25 GLU N N 15 120.497 0.5 . 1 . . . . 481 GLU N . 15470 1 1839 . 2 2 26 26 GLY H H 1 8.35 0.05 . 1 . . . . 482 GLY H . 15470 1 1840 . 2 2 26 26 GLY HA2 H 1 3.902 0.05 . 2 . . . . 482 GLY HA2 . 15470 1 1841 . 2 2 26 26 GLY HA3 H 1 3.902 0.05 . 2 . . . . 482 GLY HA3 . 15470 1 1842 . 2 2 26 26 GLY C C 13 171.213 0.5 . 1 . . . . 482 GLY C . 15470 1 1843 . 2 2 26 26 GLY CA C 13 42.485 0.5 . 1 . . . . 482 GLY CA . 15470 1 1844 . 2 2 26 26 GLY N N 15 108.85 0.5 . 1 . . . . 482 GLY N . 15470 1 1845 . 2 2 27 27 GLU H H 1 8.142 0.05 . 1 . . . . 483 GLU H . 15470 1 1846 . 2 2 27 27 GLU HA H 1 4.132 0.05 . 1 . . . . 483 GLU HA . 15470 1 1847 . 2 2 27 27 GLU HB2 H 1 2.027 0.05 . 2 . . . . 483 GLU HB2 . 15470 1 1848 . 2 2 27 27 GLU HB3 H 1 1.911 0.05 . 2 . . . . 483 GLU HB3 . 15470 1 1849 . 2 2 27 27 GLU HG2 H 1 2.201 0.05 . 2 . . . . 483 GLU HG2 . 15470 1 1850 . 2 2 27 27 GLU C C 13 174.078 0.5 . 1 . . . . 483 GLU C . 15470 1 1851 . 2 2 27 27 GLU CA C 13 54.039 0.5 . 1 . . . . 483 GLU CA . 15470 1 1852 . 2 2 27 27 GLU CB C 13 27.066 0.5 . 1 . . . . 483 GLU CB . 15470 1 1853 . 2 2 27 27 GLU CG C 13 33.267 0.5 . 1 . . . . 483 GLU CG . 15470 1 1854 . 2 2 27 27 GLU N N 15 120.369 0.5 . 1 . . . . 483 GLU N . 15470 1 1855 . 2 2 28 28 MET H H 1 8.348 0.05 . 1 . . . . 484 MET H . 15470 1 1856 . 2 2 28 28 MET HA H 1 4.175 0.05 . 1 . . . . 484 MET HA . 15470 1 1857 . 2 2 28 28 MET HB2 H 1 2.022 0.05 . 2 . . . . 484 MET HB2 . 15470 1 1858 . 2 2 28 28 MET HB3 H 1 1.948 0.05 . 2 . . . . 484 MET HB3 . 15470 1 1859 . 2 2 28 28 MET HE1 H 1 2.052 0.05 . 1 . . . . 484 MET HE . 15470 1 1860 . 2 2 28 28 MET HE2 H 1 2.052 0.05 . 1 . . . . 484 MET HE . 15470 1 1861 . 2 2 28 28 MET HE3 H 1 2.052 0.05 . 1 . . . . 484 MET HE . 15470 1 1862 . 2 2 28 28 MET HG3 H 1 2.176 0.05 . 2 . . . . 484 MET HG3 . 15470 1 1863 . 2 2 28 28 MET C C 13 173.796 0.5 . 1 . . . . 484 MET C . 15470 1 1864 . 2 2 28 28 MET CA C 13 53.324 0.5 . 1 . . . . 484 MET CA . 15470 1 1865 . 2 2 28 28 MET CB C 13 29.849 0.5 . 1 . . . . 484 MET CB . 15470 1 1866 . 2 2 28 28 MET CE C 13 14.43 0.5 . 1 . . . . 484 MET CE . 15470 1 1867 . 2 2 28 28 MET CG C 13 33.966 0.5 . 1 . . . . 484 MET CG . 15470 1 1868 . 2 2 28 28 MET N N 15 120.436 0.5 . 1 . . . . 484 MET N . 15470 1 1869 . 2 2 29 29 SER H H 1 8.125 0.05 . 1 . . . . 485 SER H . 15470 1 1870 . 2 2 29 29 SER HA H 1 4.338 0.05 . 1 . . . . 485 SER HA . 15470 1 1871 . 2 2 29 29 SER HB2 H 1 4.12 0.05 . 2 . . . . 485 SER HB2 . 15470 1 1872 . 2 2 29 29 SER HB3 H 1 3.842 0.05 . 2 . . . . 485 SER HB3 . 15470 1 1873 . 2 2 29 29 SER C C 13 171.585 0.5 . 1 . . . . 485 SER C . 15470 1 1874 . 2 2 29 29 SER CA C 13 56.067 0.5 . 1 . . . . 485 SER CA . 15470 1 1875 . 2 2 29 29 SER CB C 13 60.603 0.5 . 1 . . . . 485 SER CB . 15470 1 1876 . 2 2 29 29 SER N N 15 115.589 0.5 . 1 . . . . 485 SER N . 15470 1 1877 . 2 2 30 30 LYS H H 1 7.986 0.05 . 1 . . . . 486 LYS H . 15470 1 1878 . 2 2 30 30 LYS HA H 1 4.22 0.05 . 1 . . . . 486 LYS HA . 15470 1 1879 . 2 2 30 30 LYS HB2 H 1 1.706 0.05 . 2 . . . . 486 LYS HB2 . 15470 1 1880 . 2 2 30 30 LYS HB3 H 1 1.596 0.05 . 2 . . . . 486 LYS HB3 . 15470 1 1881 . 2 2 30 30 LYS HE2 H 1 2.837 0.05 . 2 . . . . 486 LYS HE2 . 15470 1 1882 . 2 2 30 30 LYS HG2 H 1 1.275 0.05 . 2 . . . . 486 LYS HG2 . 15470 1 1883 . 2 2 30 30 LYS C C 13 173.803 0.5 . 1 . . . . 486 LYS C . 15470 1 1884 . 2 2 30 30 LYS CA C 13 53.958 0.5 . 1 . . . . 486 LYS CA . 15470 1 1885 . 2 2 30 30 LYS CB C 13 30.005 0.5 . 1 . . . . 486 LYS CB . 15470 1 1886 . 2 2 30 30 LYS CD C 13 26.823 0.5 . 1 . . . . 486 LYS CD . 15470 1 1887 . 2 2 30 30 LYS CE C 13 39.61 0.5 . 1 . . . . 486 LYS CE . 15470 1 1888 . 2 2 30 30 LYS CG C 13 22.144 0.5 . 1 . . . . 486 LYS CG . 15470 1 1889 . 2 2 30 30 LYS N N 15 122.255 0.5 . 1 . . . . 486 LYS N . 15470 1 1890 . 2 2 31 31 SER H H 1 7.972 0.05 . 1 . . . . 487 SER H . 15470 1 1891 . 2 2 31 31 SER HA H 1 3.676 0.05 . 1 . . . . 487 SER HA . 15470 1 1892 . 2 2 31 31 SER HB2 H 1 3.806 0.05 . 2 . . . . 487 SER HB2 . 15470 1 1893 . 2 2 31 31 SER HB3 H 1 3.744 0.05 . 2 . . . . 487 SER HB3 . 15470 1 1894 . 2 2 31 31 SER C C 13 171.460 0.5 . 1 . . . . 487 SER C . 15470 1 1895 . 2 2 31 31 SER CA C 13 55.826 0.5 . 1 . . . . 487 SER CA . 15470 1 1896 . 2 2 31 31 SER CB C 13 61.064 0.5 . 1 . . . . 487 SER CB . 15470 1 1897 . 2 2 31 31 SER N N 15 114.856 0.5 . 1 . . . . 487 SER N . 15470 1 1898 . 2 2 32 32 LEU H H 1 8.017 0.05 . 1 . . . . 488 LEU H . 15470 1 1899 . 2 2 32 32 LEU HA H 1 4.3 0.05 . 1 . . . . 488 LEU HA . 15470 1 1900 . 2 2 32 32 LEU HB2 H 1 1.427 0.05 . 2 . . . . 488 LEU HB2 . 15470 1 1901 . 2 2 32 32 LEU HB3 H 1 1.272 0.05 . 2 . . . . 488 LEU HB3 . 15470 1 1902 . 2 2 32 32 LEU HD11 H 1 0.733 0.05 . 2 . . . . 488 LEU HD1 . 15470 1 1903 . 2 2 32 32 LEU HD12 H 1 0.733 0.05 . 2 . . . . 488 LEU HD1 . 15470 1 1904 . 2 2 32 32 LEU HD13 H 1 0.733 0.05 . 2 . . . . 488 LEU HD1 . 15470 1 1905 . 2 2 32 32 LEU HD21 H 1 0.689 0.05 . 2 . . . . 488 LEU HD2 . 15470 1 1906 . 2 2 32 32 LEU HD22 H 1 0.689 0.05 . 2 . . . . 488 LEU HD2 . 15470 1 1907 . 2 2 32 32 LEU HD23 H 1 0.689 0.05 . 2 . . . . 488 LEU HD2 . 15470 1 1908 . 2 2 32 32 LEU HG H 1 1.426 0.05 . 1 . . . . 488 LEU HG . 15470 1 1909 . 2 2 32 32 LEU C C 13 174.074 0.5 . 1 . . . . 488 LEU C . 15470 1 1910 . 2 2 32 32 LEU CA C 13 53.057 0.5 . 1 . . . . 488 LEU CA . 15470 1 1911 . 2 2 32 32 LEU CB C 13 39.082 0.5 . 1 . . . . 488 LEU CB . 15470 1 1912 . 2 2 32 32 LEU CD1 C 13 20.626 0.5 . 2 . . . . 488 LEU CD1 . 15470 1 1913 . 2 2 32 32 LEU CD2 C 13 18.346 0.5 . 2 . . . . 488 LEU CD2 . 15470 1 1914 . 2 2 32 32 LEU N N 15 123.172 0.5 . 1 . . . . 488 LEU N . 15470 1 1915 . 2 2 33 33 TRP H H 1 7.636 0.05 . 1 . . . . 489 TRP H . 15470 1 1916 . 2 2 33 33 TRP HA H 1 4.124 0.05 . 1 . . . . 489 TRP HA . 15470 1 1917 . 2 2 33 33 TRP HB2 H 1 2.964 0.05 . 2 . . . . 489 TRP HB2 . 15470 1 1918 . 2 2 33 33 TRP HB3 H 1 2.925 0.05 . 2 . . . . 489 TRP HB3 . 15470 1 1919 . 2 2 33 33 TRP HD1 H 1 7.073 0.05 . 1 . . . . 489 TRP HD1 . 15470 1 1920 . 2 2 33 33 TRP HE1 H 1 9.797 0.05 . 1 . . . . 489 TRP HE1 . 15470 1 1921 . 2 2 33 33 TRP HH2 H 1 7.075 0.05 . 1 . . . . 489 TRP HH2 . 15470 1 1922 . 2 2 33 33 TRP HZ2 H 1 7.204 0.05 . 1 . . . . 489 TRP HZ2 . 15470 1 1923 . 2 2 33 33 TRP C C 13 172.511 0.5 . 1 . . . . 489 TRP C . 15470 1 1924 . 2 2 33 33 TRP CA C 13 53.958 0.5 . 1 . . . . 489 TRP CA . 15470 1 1925 . 2 2 33 33 TRP CB C 13 26.283 0.5 . 1 . . . . 489 TRP CB . 15470 1 1926 . 2 2 33 33 TRP CD1 C 13 129.291 0.5 . 1 . . . . 489 TRP CD1 . 15470 1 1927 . 2 2 33 33 TRP N N 15 117.409 0.5 . 1 . . . . 489 TRP N . 15470 1 1928 . 2 2 33 33 TRP NE1 N 15 130.113 0.5 . 1 . . . . 489 TRP NE1 . 15470 1 1929 . 2 2 34 34 PHE H H 1 7.377 0.05 . 1 . . . . 490 PHE H . 15470 1 1930 . 2 2 34 34 PHE HA H 1 4.325 0.05 . 1 . . . . 490 PHE HA . 15470 1 1931 . 2 2 34 34 PHE HB2 H 1 2.844 0.05 . 2 . . . . 490 PHE HB2 . 15470 1 1932 . 2 2 34 34 PHE HD1 H 1 7.05 0.05 . 3 . . . . 490 PHE HD1 . 15470 1 1933 . 2 2 34 34 PHE HD2 H 1 7.05 0.05 . 3 . . . . 490 PHE HD2 . 15470 1 1934 . 2 2 34 34 PHE HE1 H 1 6.986 0.05 . 3 . . . . 490 PHE HE1 . 15470 1 1935 . 2 2 34 34 PHE HE2 H 1 6.986 0.05 . 3 . . . . 490 PHE HE2 . 15470 1 1936 . 2 2 34 34 PHE HZ H 1 7.242 0.05 . 1 . . . . 490 PHE HZ . 15470 1 1937 . 2 2 34 34 PHE C C 13 172.418 0.5 . 1 . . . . 490 PHE C . 15470 1 1938 . 2 2 34 34 PHE CA C 13 55.014 0.5 . 1 . . . . 490 PHE CA . 15470 1 1939 . 2 2 34 34 PHE CB C 13 36.68 0.5 . 1 . . . . 490 PHE CB . 15470 1 1940 . 2 2 34 34 PHE CE1 C 13 129.98 0.5 . 3 . . . . 490 PHE CE1 . 15470 1 1941 . 2 2 34 34 PHE CE2 C 13 129.98 0.5 . 3 . . . . 490 PHE CE2 . 15470 1 1942 . 2 2 34 34 PHE N N 15 119.308 0.5 . 1 . . . . 490 PHE N . 15470 1 1943 . 2 2 35 35 LYS H H 1 7.864 0.05 . 1 . . . . 491 LYS H . 15470 1 1944 . 2 2 35 35 LYS HA H 1 4.195 0.05 . 1 . . . . 491 LYS HA . 15470 1 1945 . 2 2 35 35 LYS HB2 H 1 1.759 0.05 . 2 . . . . 491 LYS HB2 . 15470 1 1946 . 2 2 35 35 LYS HB3 H 1 1.595 0.05 . 2 . . . . 491 LYS HB3 . 15470 1 1947 . 2 2 35 35 LYS HD2 H 1 1.611 0.05 . 2 . . . . 491 LYS HD2 . 15470 1 1948 . 2 2 35 35 LYS HE2 H 1 2.902 0.05 . 2 . . . . 491 LYS HE2 . 15470 1 1949 . 2 2 35 35 LYS HG2 H 1 1.297 0.05 . 2 . . . . 491 LYS HG2 . 15470 1 1950 . 2 2 35 35 LYS C C 13 172.483 0.5 . 1 . . . . 491 LYS C . 15470 1 1951 . 2 2 35 35 LYS CA C 13 53.521 0.5 . 1 . . . . 491 LYS CA . 15470 1 1952 . 2 2 35 35 LYS CB C 13 30.222 0.5 . 1 . . . . 491 LYS CB . 15470 1 1953 . 2 2 35 35 LYS CD C 13 26.208 0.5 . 1 . . . . 491 LYS CD . 15470 1 1954 . 2 2 35 35 LYS CE C 13 39.534 0.5 . 1 . . . . 491 LYS CE . 15470 1 1955 . 2 2 35 35 LYS CG C 13 20.917 0.5 . 1 . . . . 491 LYS CG . 15470 1 1956 . 2 2 35 35 LYS N N 15 123.484 0.5 . 1 . . . . 491 LYS N . 15470 1 1957 . 2 2 36 36 GLY H H 1 7.381 0.05 . 1 . . . . 492 GLY H . 15470 1 1958 . 2 2 36 36 GLY HA2 H 1 3.647 0.05 . 2 . . . . 492 GLY HA2 . 15470 1 1959 . 2 2 36 36 GLY HA3 H 1 3.647 0.05 . 2 . . . . 492 GLY HA3 . 15470 1 1960 . 2 2 36 36 GLY C C 13 175.656 0.5 . 1 . . . . 492 GLY C . 15470 1 1961 . 2 2 36 36 GLY CA C 13 43.436 0.5 . 1 . . . . 492 GLY CA . 15470 1 1962 . 2 2 36 36 GLY N N 15 115.197 0.5 . 1 . . . . 492 GLY N . 15470 1 stop_ save_