data_16764 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16764 _Entry.Title ; HALOTHANE BINDS TO DRUGGABLE SITES IN CALCIUM-CALMODULIN: Solution Structure of halothane-CaM N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-04 _Entry.Accession_date 2010-03-04 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 5 STRUCTURES' _Entry.Details ; The mechanism(s) of volatile anesthetic effects are poorly understood. We examined whether VA binding to druggable sites in calmodulin would effect [Ca2+]4-CaM dependent activity of enzymes. We used high resolution NMR spectroscopy to determine the structure of the halothane [Ca2+]4-CaM complex, determining that the halothane molecules bind in the druggable sites. We used fluorescence assays to determine that VA mediate [Ca2+]4-CaM activation of smMLCK, but not the kd of [Ca2+]4-CaM binding to skMLCK. These results suggest that VA do not mediate [Ca2+]4-CaM dependent MLCK activity via direct interactions with druggable sites on [Ca2+]4-CaM. ; _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 N. Juranic N. . . 16764 2 S. Macura S. . . 16764 3 M. Simeonov M. V. . 16764 4 K. Jones K. A. . 16764 5 A. Penheiter A. R. . 16764 6 T Hock . J. . 16764 7 J Streiff . H. . 16764 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16764 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CALCIUM BINDING' . 16764 CALMODULIN . 16764 HALOTHANE . 16764 'VOLATILE ANESTHETIC' . 16764 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16764 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 621 16764 '15N chemical shifts' 158 16764 '1H chemical shifts' 1022 16764 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2010-03-04 original author . 16764 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KUG 'BMRB Entry Tracking System' 16764 PDB 2KUH 'BMRB Entry Tracking System' 16764 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16764 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Halothane Binds to Druggable Sites in [Ca2+]4-CaM, but Does Not Inhibit [Ca2+]4-CaM Activation of Kinase' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 N. Juranic . . . 16764 1 2 S. Macura . . . 16764 1 3 M. Simeonov . V. . 16764 1 4 K. Jones . A. . 16764 1 5 A. Penheiter . R. . 16764 1 6 T Hock . J. . 16764 1 7 J Streiff . H. . 16764 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID calmodulin 16764 1 halothane 16764 1 nmr 16764 1 protein 16764 1 'volatile anesthetic' 16764 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16764 _Assembly.ID 1 _Assembly.Name CALMODULIN _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 . . . 16764 1 2 'CALCIUM ION_1' 2 $CA B . no native no no . . . 16764 1 3 'CALCIUM ION_2' 2 $CA C . no native no no . . . 16764 1 4 Halothane_1 3 $HAL D . yes native no no . . . 16764 1 5 Halothane_2 3 $HAL D . yes native no no . . . 16764 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CALMODULIN _Entity.Sf_category entity _Entity.Sf_framecode CALMODULIN _Entity.Entry_ID 16764 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAKXX ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-TERMINAL DOMAIN' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8454.412 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15184 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 2 no BMRB 15185 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 3 no BMRB 15186 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 4 no BMRB 15187 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 5 no BMRB 15188 . calmodulin . . . . . 98.67 148 99.32 100.00 1.06e-99 . . . . 16764 1 6 no BMRB 15191 . Calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 7 no BMRB 15470 . calmodulin . . . . . 98.67 148 99.32 100.00 2.18e-99 . . . . 16764 1 8 no BMRB 15624 . Calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 9 no BMRB 15650 . calmodulin . . . . . 98.67 148 99.32 100.00 3.60e-99 . . . . 16764 1 10 no BMRB 15852 . calmodulin . . . . . 98.67 148 99.32 100.00 3.60e-99 . . . . 16764 1 11 no BMRB 1634 . calmodulin . . . . . 98.67 148 97.30 99.32 2.75e-97 . . . . 16764 1 12 no BMRB 16418 . apoCaM . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 13 no BMRB 16465 . entity_1 . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 14 no BMRB 1648 . calmodulin . . . . . 98.67 148 97.30 99.32 2.75e-97 . . . . 16764 1 15 no BMRB 17264 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 16 no BMRB 17360 . entity_1 . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 17 no BMRB 17771 . Calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 18 no BMRB 17807 . Calmodulin . . . . . 98.00 147 100.00 100.00 2.77e-99 . . . . 16764 1 19 no BMRB 18027 . CaM . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 20 no BMRB 18028 . CaM . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 21 no BMRB 18556 . Calmodulin . . . . . 98.67 148 98.65 99.32 2.87e-98 . . . . 16764 1 22 no BMRB 19036 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 23 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 24 no BMRB 19586 . entity_1 . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 25 no BMRB 19604 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 26 no BMRB 25253 . CaM . . . . . 98.67 148 98.65 99.32 1.32e-97 . . . . 16764 1 27 no BMRB 25257 . CaM . . . . . 98.67 148 98.65 99.32 1.32e-97 . . . . 16764 1 28 no BMRB 26503 . Calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 29 no BMRB 26626 . CaM . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 30 no BMRB 26627 . CaM . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 31 no BMRB 4056 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 32 no BMRB 4270 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 33 no BMRB 4284 . Calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 34 no BMRB 4310 . calmodulin . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 35 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 36 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 37 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 38 no PDB 1CFF . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 39 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 40 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 41 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 42 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 43 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 44 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 98.67 148 99.32 100.00 2.18e-99 . . . . 16764 1 45 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 46 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 47 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 48 no PDB 1K90 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 49 no PDB 1K93 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 96.00 144 100.00 100.00 4.79e-97 . . . . 16764 1 50 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 51 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 52 no PDB 1LVC . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 53 no PDB 1MUX . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 54 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 98.67 148 97.97 99.32 7.34e-98 . . . . 16764 1 55 no PDB 1NWD . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 56 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 98.67 149 97.97 98.65 1.38e-97 . . . . 16764 1 57 no PDB 1PRW . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" . . . . . 98.67 149 99.32 99.32 4.63e-99 . . . . 16764 1 58 no PDB 1QIV . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 59 no PDB 1QIW . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 60 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 61 no PDB 1S26 . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 62 no PDB 1SK6 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 63 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 64 no PDB 1UP5 . "Chicken Calmodulin" . . . . . 98.67 148 99.32 99.32 4.48e-99 . . . . 16764 1 65 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 66 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 67 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 68 no PDB 1XFU . "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" . . . . . 98.67 149 99.32 100.00 1.32e-99 . . . . 16764 1 69 no PDB 1XFV . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 98.67 149 99.32 100.00 1.32e-99 . . . . 16764 1 70 no PDB 1XFW . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" . . . . . 98.67 149 99.32 100.00 1.32e-99 . . . . 16764 1 71 no PDB 1XFY . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 98.67 149 99.32 100.00 1.32e-99 . . . . 16764 1 72 no PDB 1XFZ . "Crystal Structure Of Anthrax Edema Factor (ef) In Complex With Calmodulin In The Presence Of 1 Millimolar Exogenously Added Cal" . . . . . 98.67 149 99.32 100.00 1.32e-99 . . . . 16764 1 73 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 96.00 146 100.00 100.00 4.12e-97 . . . . 16764 1 74 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 75 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 98.67 148 97.97 99.32 7.34e-98 . . . . 16764 1 76 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 98.67 148 97.97 99.32 7.34e-98 . . . . 16764 1 77 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 78 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 79 no PDB 2BKI . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 80 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 81 no PDB 2F2O . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 98.67 179 100.00 100.00 8.57e-100 . . . . 16764 1 82 no PDB 2F2P . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 98.67 179 100.00 100.00 8.57e-100 . . . . 16764 1 83 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 84 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 85 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 86 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 87 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 88 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 89 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 90 no PDB 2K0J . "Solution Structure Of Cam Complexed To Drp1p" . . . . . 98.67 148 99.32 100.00 3.60e-99 . . . . 16764 1 91 no PDB 2K61 . "Solution Structure Of Cam Complexed To Dapk Peptide" . . . . . 98.67 148 99.32 100.00 3.60e-99 . . . . 16764 1 92 no PDB 2KDU . "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 93 no PDB 2KNE . "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 94 no PDB 2L53 . "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 95 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 96 no PDB 2LGF . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" . . . . . 97.33 146 100.00 100.00 1.16e-98 . . . . 16764 1 97 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 98 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 99 no PDB 2LV6 . "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" . . . . . 98.67 148 98.65 99.32 2.87e-98 . . . . 16764 1 100 no PDB 2M0J . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 101 no PDB 2M0K . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 102 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 103 no PDB 2MG5 . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 104 no PDB 2MGU . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 105 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 106 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 107 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 108 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 109 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 110 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 111 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 97.33 146 100.00 100.00 1.16e-98 . . . . 16764 1 112 no PDB 2VB6 . "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)" . . . . . 98.67 149 97.30 99.32 1.35e-97 . . . . 16764 1 113 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 114 no PDB 2WEL . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" . . . . . 98.67 150 100.00 100.00 5.16e-100 . . . . 16764 1 115 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 116 no PDB 2X51 . "M6 Delta Insert1" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 117 no PDB 2Y4V . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 118 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 98.67 150 100.00 100.00 6.07e-100 . . . . 16764 1 119 no PDB 3BXK . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 120 no PDB 3BXL . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 121 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 122 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 98.67 148 99.32 100.00 2.18e-99 . . . . 16764 1 123 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 124 no PDB 3DVJ . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 125 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 126 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 127 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 98.00 449 100.00 100.00 1.02e-95 . . . . 16764 1 128 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 98.00 449 100.00 100.00 1.02e-95 . . . . 16764 1 129 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 98.00 449 100.00 100.00 1.44e-95 . . . . 16764 1 130 no PDB 3EKH . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" . . . . . 98.00 449 99.32 99.32 9.85e-95 . . . . 16764 1 131 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 98.00 449 100.00 100.00 1.02e-95 . . . . 16764 1 132 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 98.00 449 100.00 100.00 1.02e-95 . . . . 16764 1 133 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 98.67 154 100.00 100.00 2.23e-100 . . . . 16764 1 134 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 98.67 154 100.00 100.00 2.23e-100 . . . . 16764 1 135 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 136 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 137 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 138 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 139 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 140 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 141 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 142 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 98.00 415 100.00 100.00 4.57e-96 . . . . 16764 1 143 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 98.00 415 100.00 100.00 5.04e-96 . . . . 16764 1 144 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 145 no PDB 3SG2 . "Crystal Structure Of Gcamp2-t116v,d381y" . . . . . 98.00 449 99.32 99.32 1.45e-94 . . . . 16764 1 146 no PDB 3SG3 . "Crystal Structure Of Gcamp3-d380y" . . . . . 98.00 449 98.64 99.32 1.84e-93 . . . . 16764 1 147 no PDB 3SG4 . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" . . . . . 98.67 448 97.97 98.65 1.27e-93 . . . . 16764 1 148 no PDB 3SG5 . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" . . . . . 98.67 448 97.97 98.65 1.04e-93 . . . . 16764 1 149 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 98.00 450 100.00 100.00 1.30e-95 . . . . 16764 1 150 no PDB 3SG7 . "Crystal Structure Of Gcamp3-kf(linker 1)" . . . . . 98.00 448 99.32 100.00 8.69e-95 . . . . 16764 1 151 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 152 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 153 no PDB 3U0K . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" . . . . . 98.00 440 98.64 99.32 3.11e-94 . . . . 16764 1 154 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 98.67 182 100.00 100.00 6.40e-100 . . . . 16764 1 155 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 156 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 157 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 158 no PDB 4BYF . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 159 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 98.67 148 97.97 99.32 7.34e-98 . . . . 16764 1 160 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 161 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 162 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 163 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 98.67 152 100.00 100.00 3.89e-100 . . . . 16764 1 164 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 98.67 185 100.00 100.00 2.89e-100 . . . . 16764 1 165 no PDB 4EHQ . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 166 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 167 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 168 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 98.67 156 100.00 100.00 2.39e-100 . . . . 16764 1 169 no PDB 4IK1 . "High Resolution Structure Of Gcampj At Ph 8.5" . . . . . 98.00 448 98.64 99.32 1.59e-93 . . . . 16764 1 170 no PDB 4IK3 . "High Resolution Structure Of Gcamp3 At Ph 8.5" . . . . . 98.00 448 99.32 100.00 1.03e-94 . . . . 16764 1 171 no PDB 4IK4 . "High Resolution Structure Of Gcamp3 At Ph 5.0" . . . . . 98.00 448 99.32 100.00 1.03e-94 . . . . 16764 1 172 no PDB 4IK5 . "High Resolution Structure Of Delta-rest-gcamp3" . . . . . 98.00 414 99.32 100.00 4.04e-95 . . . . 16764 1 173 no PDB 4IK8 . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" . . . . . 98.00 448 99.32 100.00 1.03e-94 . . . . 16764 1 174 no PDB 4IK9 . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" . . . . . 98.00 448 99.32 100.00 1.03e-94 . . . . 16764 1 175 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 176 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 177 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 178 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 179 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 180 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 181 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 182 no PDB 4PJJ . "Myosin Vi (md-insert2-cam, Delta-insert1) Post-rigor State - Long Soaking With Po4" . . . . . 98.67 149 97.30 99.32 1.35e-97 . . . . 16764 1 183 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 184 no PDB 4QNH . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" . . . . . 98.67 149 99.32 99.32 6.79e-99 . . . . 16764 1 185 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 186 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 187 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 188 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 189 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 190 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 191 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 192 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 193 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 194 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 98.67 149 97.97 98.65 1.38e-97 . . . . 16764 1 195 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 196 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 197 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 198 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 199 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 200 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 201 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 202 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 203 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 204 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 205 no PIR MCON . "calmodulin - salmon" . . . . . 98.67 148 100.00 100.00 5.32e-100 . . . . 16764 1 206 no PRF 0409298A . "troponin C-like protein" . . . . . 98.67 148 97.30 100.00 2.75e-98 . . . . 16764 1 207 no PRF 0608335A . calmodulin . . . . . 98.67 148 97.97 99.32 3.78e-97 . . . . 16764 1 208 no REF NP_001008160 . "calmodulin [Xenopus (Silurana) tropicalis]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 209 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 210 no REF NP_001027633 . "calmodulin [Ciona intestinalis]" . . . . . 98.67 149 97.30 98.65 3.62e-97 . . . . 16764 1 211 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 212 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 98.67 149 97.97 99.32 5.59e-98 . . . . 16764 1 213 no SP O02367 . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM" . . . . . 98.67 149 97.30 98.65 3.62e-97 . . . . 16764 1 214 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 98.67 149 97.97 98.65 1.38e-97 . . . . 16764 1 215 no SP O96081 . "RecName: Full=Calmodulin-B; Short=CaM B" . . . . . 98.67 149 97.30 98.65 4.08e-97 . . . . 16764 1 216 no SP P02594 . "RecName: Full=Calmodulin; Short=CaM" . . . . . 98.67 149 99.32 100.00 1.79e-99 . . . . 16764 1 217 no SP P05932 . "RecName: Full=Calmodulin-beta; Short=Cam B" . . . . . 92.00 138 97.10 99.28 5.69e-90 . . . . 16764 1 218 no TPG DAA13808 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 98.67 216 98.65 98.65 2.70e-98 . . . . 16764 1 219 no TPG DAA18029 . "TPA: calmodulin [Bos taurus]" . . . . . 98.67 149 98.65 99.32 8.17e-99 . . . . 16764 1 220 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 221 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 1 222 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 98.67 149 100.00 100.00 5.56e-100 . . . . 16764 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 . 16764 1 2 . ASP . 16764 1 3 . GLN . 16764 1 4 . LEU . 16764 1 5 . THR . 16764 1 6 . GLU . 16764 1 7 . GLU . 16764 1 8 . GLN . 16764 1 9 . ILE . 16764 1 10 . ALA . 16764 1 11 . GLU . 16764 1 12 . PHE . 16764 1 13 . LYS . 16764 1 14 . GLU . 16764 1 15 . ALA . 16764 1 16 . PHE . 16764 1 17 . SER . 16764 1 18 . LEU . 16764 1 19 . PHE . 16764 1 20 . ASP . 16764 1 21 . LYS . 16764 1 22 . ASP . 16764 1 23 . GLY . 16764 1 24 . ASP . 16764 1 25 . GLY . 16764 1 26 . THR . 16764 1 27 . ILE . 16764 1 28 . THR . 16764 1 29 . THR . 16764 1 30 . LYS . 16764 1 31 . GLU . 16764 1 32 . LEU . 16764 1 33 . GLY . 16764 1 34 . THR . 16764 1 35 . VAL . 16764 1 36 . MET . 16764 1 37 . ARG . 16764 1 38 . SER . 16764 1 39 . LEU . 16764 1 40 . GLY . 16764 1 41 . GLN . 16764 1 42 . ASN . 16764 1 43 . PRO . 16764 1 44 . THR . 16764 1 45 . GLU . 16764 1 46 . ALA . 16764 1 47 . GLU . 16764 1 48 . LEU . 16764 1 49 . GLN . 16764 1 50 . ASP . 16764 1 51 . MET . 16764 1 52 . ILE . 16764 1 53 . ASN . 16764 1 54 . GLU . 16764 1 55 . VAL . 16764 1 56 . ASP . 16764 1 57 . ALA . 16764 1 58 . ASP . 16764 1 59 . GLY . 16764 1 60 . ASN . 16764 1 61 . GLY . 16764 1 62 . THR . 16764 1 63 . ILE . 16764 1 64 . ASP . 16764 1 65 . PHE . 16764 1 66 . PRO . 16764 1 67 . GLU . 16764 1 68 . PHE . 16764 1 69 . LEU . 16764 1 70 . THR . 16764 1 71 . MET . 16764 1 72 . MET . 16764 1 73 . ALA . 16764 1 74 . ARG . 16764 1 75 . LYS . 16764 1 76 . MET . 16764 1 77 . LYS . 16764 1 78 . ASP . 16764 1 79 . THR . 16764 1 80 . ASP . 16764 1 81 . SER . 16764 1 82 . GLU . 16764 1 83 . GLU . 16764 1 84 . GLU . 16764 1 85 . ILE . 16764 1 86 . ARG . 16764 1 87 . GLU . 16764 1 88 . ALA . 16764 1 89 . PHE . 16764 1 90 . ARG . 16764 1 91 . VAL . 16764 1 92 . PHE . 16764 1 93 . ASP . 16764 1 94 . LYS . 16764 1 95 . ASP . 16764 1 96 . GLY . 16764 1 97 . ASN . 16764 1 98 . GLY . 16764 1 99 . TYR . 16764 1 100 . ILE . 16764 1 101 . SER . 16764 1 102 . ALA . 16764 1 103 . ALA . 16764 1 104 . GLU . 16764 1 105 . LEU . 16764 1 106 . ARG . 16764 1 107 . HIS . 16764 1 108 . VAL . 16764 1 109 . MET . 16764 1 110 . THR . 16764 1 111 . ASN . 16764 1 112 . LEU . 16764 1 113 . GLY . 16764 1 114 . GLU . 16764 1 115 . LYS . 16764 1 116 . LEU . 16764 1 117 . THR . 16764 1 118 . ASP . 16764 1 119 . GLU . 16764 1 120 . GLU . 16764 1 121 . VAL . 16764 1 122 . ASP . 16764 1 123 . GLU . 16764 1 124 . MET . 16764 1 125 . ILE . 16764 1 126 . ARG . 16764 1 127 . GLU . 16764 1 128 . ALA . 16764 1 129 . ASP . 16764 1 130 . ILE . 16764 1 131 . ASP . 16764 1 132 . GLY . 16764 1 133 . ASP . 16764 1 134 . GLY . 16764 1 135 . GLN . 16764 1 136 . VAL . 16764 1 137 . ASN . 16764 1 138 . TYR . 16764 1 139 . GLU . 16764 1 140 . GLU . 16764 1 141 . PHE . 16764 1 142 . VAL . 16764 1 143 . GLN . 16764 1 144 . MET . 16764 1 145 . MET . 16764 1 146 . THR . 16764 1 147 . ALA . 16764 1 148 . LYS . 16764 1 149 . HAL . 16764 1 150 . HAL . 16764 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 16764 1 . ASP 2 2 16764 1 . GLN 3 3 16764 1 . LEU 4 4 16764 1 . THR 5 5 16764 1 . GLU 6 6 16764 1 . GLU 7 7 16764 1 . GLN 8 8 16764 1 . ILE 9 9 16764 1 . ALA 10 10 16764 1 . GLU 11 11 16764 1 . PHE 12 12 16764 1 . LYS 13 13 16764 1 . GLU 14 14 16764 1 . ALA 15 15 16764 1 . PHE 16 16 16764 1 . SER 17 17 16764 1 . LEU 18 18 16764 1 . PHE 19 19 16764 1 . ASP 20 20 16764 1 . LYS 21 21 16764 1 . ASP 22 22 16764 1 . GLY 23 23 16764 1 . ASP 24 24 16764 1 . GLY 25 25 16764 1 . THR 26 26 16764 1 . ILE 27 27 16764 1 . THR 28 28 16764 1 . THR 29 29 16764 1 . LYS 30 30 16764 1 . GLU 31 31 16764 1 . LEU 32 32 16764 1 . GLY 33 33 16764 1 . THR 34 34 16764 1 . VAL 35 35 16764 1 . MET 36 36 16764 1 . ARG 37 37 16764 1 . SER 38 38 16764 1 . LEU 39 39 16764 1 . GLY 40 40 16764 1 . GLN 41 41 16764 1 . ASN 42 42 16764 1 . PRO 43 43 16764 1 . THR 44 44 16764 1 . GLU 45 45 16764 1 . ALA 46 46 16764 1 . GLU 47 47 16764 1 . LEU 48 48 16764 1 . GLN 49 49 16764 1 . ASP 50 50 16764 1 . MET 51 51 16764 1 . ILE 52 52 16764 1 . ASN 53 53 16764 1 . GLU 54 54 16764 1 . VAL 55 55 16764 1 . ASP 56 56 16764 1 . ALA 57 57 16764 1 . ASP 58 58 16764 1 . GLY 59 59 16764 1 . ASN 60 60 16764 1 . GLY 61 61 16764 1 . THR 62 62 16764 1 . ILE 63 63 16764 1 . ASP 64 64 16764 1 . PHE 65 65 16764 1 . PRO 66 66 16764 1 . GLU 67 67 16764 1 . PHE 68 68 16764 1 . LEU 69 69 16764 1 . THR 70 70 16764 1 . MET 71 71 16764 1 . MET 72 72 16764 1 . ALA 73 73 16764 1 . ARG 74 74 16764 1 . LYS 75 75 16764 1 . MET 76 76 16764 1 . LYS 77 77 16764 1 . ASP 78 78 16764 1 . THR 79 79 16764 1 . ASP 80 80 16764 1 . SER 81 81 16764 1 . GLU 82 82 16764 1 . GLU 83 83 16764 1 . GLU 84 84 16764 1 . ILE 85 85 16764 1 . ARG 86 86 16764 1 . GLU 87 87 16764 1 . ALA 88 88 16764 1 . PHE 89 89 16764 1 . ARG 90 90 16764 1 . VAL 91 91 16764 1 . PHE 92 92 16764 1 . ASP 93 93 16764 1 . LYS 94 94 16764 1 . ASP 95 95 16764 1 . GLY 96 96 16764 1 . ASN 97 97 16764 1 . GLY 98 98 16764 1 . TYR 99 99 16764 1 . ILE 100 100 16764 1 . SER 101 101 16764 1 . ALA 102 102 16764 1 . ALA 103 103 16764 1 . GLU 104 104 16764 1 . LEU 105 105 16764 1 . ARG 106 106 16764 1 . HIS 107 107 16764 1 . VAL 108 108 16764 1 . MET 109 109 16764 1 . THR 110 110 16764 1 . ASN 111 111 16764 1 . LEU 112 112 16764 1 . GLY 113 113 16764 1 . GLU 114 114 16764 1 . LYS 115 115 16764 1 . LEU 116 116 16764 1 . THR 117 117 16764 1 . ASP 118 118 16764 1 . GLU 119 119 16764 1 . GLU 120 120 16764 1 . VAL 121 121 16764 1 . ASP 122 122 16764 1 . GLU 123 123 16764 1 . MET 124 124 16764 1 . ILE 125 125 16764 1 . ARG 126 126 16764 1 . GLU 127 127 16764 1 . ALA 128 128 16764 1 . ASP 129 129 16764 1 . ILE 130 130 16764 1 . ASP 131 131 16764 1 . GLY 132 132 16764 1 . ASP 133 133 16764 1 . GLY 134 134 16764 1 . GLN 135 135 16764 1 . VAL 136 136 16764 1 . ASN 137 137 16764 1 . TYR 138 138 16764 1 . GLU 139 139 16764 1 . GLU 140 140 16764 1 . PHE 141 141 16764 1 . VAL 142 142 16764 1 . GLN 143 143 16764 1 . MET 144 144 16764 1 . MET 145 145 16764 1 . THR 146 146 16764 1 . ALA 147 147 16764 1 . LYS 148 148 16764 1 . HAL 149 149 16764 1 . HAL 150 150 16764 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 16764 _Entity.ID 2 _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 . _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 . 16764 2 stop_ save_ save_HAL _Entity.Sf_category entity _Entity.Sf_framecode HAL _Entity.Entry_ID 16764 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name HAL _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 HAL _Entity.Nonpolymer_comp_label $chem_comp_HAL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _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 . HAL . 16764 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 16764 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens BL21(DE3) . . . . . . . . . . . . . . . calm . . . . 16764 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 16764 _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' BACTERIA . . ESCHERICHIA COLI BL21(DE3)-pLysS . . . . . . . . . . . . . . . 'Pet 15b' . . . . . . 16764 1 2 2 $CA . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . 'not aplicable' . . . . . . 16764 1 3 3 $HAL . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . 'not aplicable' . . . . . . 16764 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 16764 _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 no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Nov 18 14:34:10 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 16764 CA [Ca++] SMILES CACTVS 3.341 16764 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16764 CA [Ca+2] SMILES ACDLabs 10.04 16764 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16764 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16764 CA InChI=1S/Ca/q+2 InChI InChI 1.03 16764 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16764 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16764 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 . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16764 CA stop_ save_ save_chem_comp_HAL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HAL _Chem_comp.Entry_ID 16764 _Chem_comp.ID HAL _Chem_comp.Provenance . _Chem_comp.Name N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code HAL _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2002-08-29 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HAL _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C23 H29 N2 O7 P' _Chem_comp.Formula_weight 476.459 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1MJ7 _Chem_comp.Processing_site RCSB _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 Fri Nov 18 14:36:20 2011 ; _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 c1ccc(cc1)CCNC(=O)COP(=O)(C(Cc2ccccc2)NC(=O)CCCC(=O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 16764 HAL c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16764 HAL DKQZZKSBRCTCQU-QFIPXVFZSA-N InChIKey InChI 1.03 16764 HAL InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1 InChI InChI 1.03 16764 HAL OC(=O)CCCC(=O)N[C@H](Cc1ccccc1)[P@](O)(=O)OCC(=O)NCCc2ccccc2 SMILES_CANONICAL CACTVS 3.341 16764 HAL OC(=O)CCCC(=O)N[CH](Cc1ccccc1)[P](O)(=O)OCC(=O)NCCc2ccccc2 SMILES CACTVS 3.341 16764 HAL O=C(O)CCCC(=O)NC(P(=O)(O)OCC(=O)NCCc1ccccc1)Cc2ccccc2 SMILES ACDLabs 10.04 16764 HAL 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 '5-[[(1S)-1-[hydroxy-[2-oxo-2-(phenethylamino)ethoxy]phosphoryl]-2-phenyl-ethyl]amino]-5-oxo-pentanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16764 HAL '(7R,8S)-8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide' 'SYSTEMATIC NAME' ACDLabs 10.04 16764 HAL 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 CP1 . CP1 . . C . . N 0 . . . . yes no . . . . 62.125 . 3.326 . 32.668 . -7.388 1.613 0.010 1 . 16764 HAL CP2 . CP2 . . C . . N 0 . . . . yes no . . . . 63.327 . 3.091 . 32.003 . -7.814 2.048 1.251 2 . 16764 HAL CP3 . CP3 . . C . . N 0 . . . . yes no . . . . 63.929 . 4.096 . 31.227 . -9.086 1.736 1.694 3 . 16764 HAL CP4 . CP4 . . C . . N 0 . . . . yes no . . . . 63.316 . 5.342 . 31.122 . -9.933 0.991 0.895 4 . 16764 HAL CP5 . CP5 . . C . . N 0 . . . . yes no . . . . 62.113 . 5.583 . 31.788 . -9.507 0.557 -0.347 5 . 16764 HAL CP6 . CP6 . . C . . N 0 . . . . yes no . . . . 61.530 . 4.585 . 32.551 . -8.237 0.872 -0.791 6 . 16764 HAL C1 . C1 . . C . . N 0 . . . . no no . . . . 61.465 . 2.235 . 33.478 . -6.001 1.952 -0.472 7 . 16764 HAL C2 . C2 . . C . . N 0 . . . . no no . . . . 59.972 . 2.388 . 33.579 . -5.028 0.855 -0.038 8 . 16764 HAL N1 . N1 . . N . . N 0 . . . . no no . . . . 59.312 . 1.316 . 34.314 . -3.679 1.185 -0.507 9 . 16764 HAL C3 . C3 . . C . . N 0 . . . . no no . . . . 57.991 . 1.223 . 34.453 . -2.651 0.356 -0.239 10 . 16764 HAL O1 . O1 . . O . . N 0 . . . . no no . . . . 57.210 . 2.032 . 33.947 . -2.842 -0.663 0.391 11 . 16764 HAL C4 . C4 . . C . . N 0 . . . . no no . . . . 57.462 . 0.040 . 35.243 . -1.264 0.695 -0.721 12 . 16764 HAL O2 . O2 . . O . . N 0 . . . . no no . . . . 58.162 . -0.088 . 36.475 . -0.355 -0.330 -0.315 13 . 16764 HAL P . P . . P . . R 0 . . . . no no . . . . 59.241 . -1.245 . 36.689 . 1.099 0.096 -0.861 14 . 16764 HAL O3 . O3 . . O . . N 0 . . . . no no . . . . 60.600 . -0.689 . 36.422 . 1.431 1.453 -0.374 15 . 16764 HAL O4 . O4 . . O . . N 0 . . . . no no . . . . 58.791 . -2.457 . 35.954 . 1.090 0.090 -2.471 16 . 16764 HAL C5 . C5 . . C . . S 0 . . . . no no . . . . 59.185 . -1.578 . 38.093 . 2.345 -1.089 -0.256 17 . 16764 HAL C6 . C6 . . C . . N 0 . . . . no no . . . . 60.324 . -2.530 . 38.508 . 1.935 -2.509 -0.654 18 . 16764 HAL CR1 . CR1 . . C . . N 0 . . . . yes no . . . . 60.036 . -3.336 . 39.755 . 0.596 -2.834 -0.045 19 . 16764 HAL CR2 . CR2 . . C . . N 0 . . . . yes no . . . . 59.556 . -4.641 . 39.659 . -0.566 -2.552 -0.739 20 . 16764 HAL CR3 . CR3 . . C . . N 0 . . . . yes no . . . . 59.268 . -5.387 . 40.810 . -1.794 -2.850 -0.180 21 . 16764 HAL CR4 . CR4 . . C . . N 0 . . . . yes no . . . . 59.459 . -4.830 . 42.073 . -1.861 -3.431 1.072 22 . 16764 HAL CR5 . CR5 . . C . . N 0 . . . . yes no . . . . 59.943 . -3.521 . 42.183 . -0.700 -3.714 1.766 23 . 16764 HAL CR6 . CR6 . . C . . N 0 . . . . yes no . . . . 60.229 . -2.782 . 41.025 . 0.529 -3.419 1.205 24 . 16764 HAL N2 . N2 . . N . . N 0 . . . . no no . . . . 59.207 . -0.385 . 38.939 . 3.648 -0.773 -0.848 25 . 16764 HAL C7 . C7 . . C . . N 0 . . . . no no . . . . 58.239 . -0.158 . 39.819 . 4.599 -0.176 -0.104 26 . 16764 HAL O5 . O5 . . O . . N 0 . . . . no no . . . . 57.291 . -0.923 . 39.959 . 4.377 0.100 1.056 27 . 16764 HAL C8 . C8 . . C . . N 0 . . . . no no . . . . 58.336 . 1.119 . 40.650 . 5.939 0.150 -0.713 28 . 16764 HAL C9 . C9 . . C . . N 0 . . . . no no . . . . 57.444 . 1.085 . 41.900 . 6.828 0.818 0.337 29 . 16764 HAL C10 . C10 . . C . . N 0 . . . . no no . . . . 57.885 . -0.051 . 42.813 . 8.188 1.149 -0.281 30 . 16764 HAL C11 . C11 . . C . . N 0 . . . . no no . . . . 57.066 . -0.185 . 44.091 . 9.063 1.807 0.754 31 . 16764 HAL O6 . O6 . . O . . N 0 . . . . no no . . . . 57.148 . -1.265 . 44.712 . 10.310 2.187 0.434 32 . 16764 HAL O7 . O7 . . O . . N 0 . . . . no no . . . . 56.359 . 0.763 . 44.490 . 8.643 1.993 1.871 33 . 16764 HAL HP2 . HP2 . . H . . N 0 . . . . no no . . . . 63.806 . 2.101 . 32.092 . -7.153 2.630 1.875 34 . 16764 HAL HP3 . HP3 . . H . . N 0 . . . . no no . . . . 64.880 . 3.907 . 30.702 . -9.419 2.076 2.664 35 . 16764 HAL HP4 . HP4 . . H . . N 0 . . . . no no . . . . 63.782 . 6.135 . 30.513 . -10.926 0.747 1.241 36 . 16764 HAL HP5 . HP5 . . H . . N 0 . . . . no no . . . . 61.621 . 6.567 . 31.711 . -10.168 -0.026 -0.971 37 . 16764 HAL HP6 . HP6 . . H . . N 0 . . . . no no . . . . 60.581 . 4.795 . 33.072 . -7.904 0.532 -1.761 38 . 16764 HAL HC11 . HC11 . . H . . N 0 . . . . no no . . . . 61.925 . 2.161 . 34.491 . -5.690 2.905 -0.043 39 . 16764 HAL HC12 . HC12 . . H . . N 0 . . . . no no . . . . 61.734 . 1.229 . 33.080 . -6.003 2.027 -1.560 40 . 16764 HAL HC21 . HC21 . . H . . N 0 . . . . no no . . . . 59.521 . 2.502 . 32.566 . -5.339 -0.098 -0.467 41 . 16764 HAL HC22 . HC22 . . H . . N 0 . . . . no no . . . . 59.710 . 3.380 . 34.015 . -5.026 0.780 1.050 42 . 16764 HAL HN1 . HN1 . . H . . N 0 . . . . no no . . . . 59.822 . 0.561 . 34.774 . -3.527 2.000 -1.010 43 . 16764 HAL HC41 . HC41 . . H . . N 0 . . . . no no . . . . 57.493 . -0.903 . 34.649 . -0.953 1.648 -0.292 44 . 16764 HAL HC42 . HC42 . . H . . N 0 . . . . no no . . . . 56.360 . 0.104 . 35.397 . -1.266 0.770 -1.808 45 . 16764 HAL HO4 . HO4 . . H . . N 0 . . . . no no . . . . 59.433 . -3.145 . 36.081 . 0.870 -0.810 -2.746 46 . 16764 HAL HC5 . HC5 . . H . . N 0 . . . . no no . . . . 58.213 . -2.103 . 38.246 . 2.414 -1.022 0.830 47 . 16764 HAL HC61 . HC61 . . H . . N 0 . . . . no no . . . . 61.281 . -1.968 . 38.619 . 1.867 -2.576 -1.740 48 . 16764 HAL HC62 . HC62 . . H . . N 0 . . . . no no . . . . 60.597 . -3.204 . 37.663 . 2.681 -3.217 -0.293 49 . 16764 HAL HR2 . HR2 . . H . . N 0 . . . . no no . . . . 59.403 . -5.088 . 38.662 . -0.513 -2.098 -1.718 50 . 16764 HAL HR3 . HR3 . . H . . N 0 . . . . no no . . . . 58.889 . -6.419 . 40.721 . -2.702 -2.630 -0.722 51 . 16764 HAL HR4 . HR4 . . H . . N 0 . . . . no no . . . . 59.229 . -5.419 . 42.977 . -2.821 -3.664 1.509 52 . 16764 HAL HR5 . HR5 . . H . . N 0 . . . . no no . . . . 60.099 . -3.073 . 43.179 . -0.752 -4.167 2.745 53 . 16764 HAL HR6 . HR6 . . H . . N 0 . . . . no no . . . . 60.611 . -1.751 . 41.114 . 1.437 -3.640 1.747 54 . 16764 HAL HN2 . HN2 . . H . . N 0 . . . . no no . . . . 59.937 . 0.327 . 38.914 . 3.825 -0.993 -1.776 55 . 16764 HAL HC81 . HC81 . . H . . N 0 . . . . no no . . . . 58.117 . 2.018 . 40.028 . 5.800 0.827 -1.556 56 . 16764 HAL HC82 . HC82 . . H . . N 0 . . . . no no . . . . 59.395 . 1.340 . 40.921 . 6.413 -0.768 -1.059 57 . 16764 HAL HC91 . HC91 . . H . . N 0 . . . . no no . . . . 56.361 . 1.021 . 41.642 . 6.967 0.141 1.180 58 . 16764 HAL HC92 . HC92 . . H . . N 0 . . . . no no . . . . 57.425 . 2.066 . 42.429 . 6.353 1.737 0.684 59 . 16764 HAL H101 . H101 . . H . . N 0 . . . . no no . . . . 58.970 . 0.043 . 43.054 . 8.049 1.826 -1.124 60 . 16764 HAL H102 . H102 . . H . . N 0 . . . . no no . . . . 57.896 . -1.016 . 42.255 . 8.662 0.231 -0.627 61 . 16764 HAL HO6 . HO6 . . H . . N 0 . . . . no no . . . . 56.637 . -1.348 . 45.509 . 10.872 2.610 1.098 62 . 16764 HAL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB CP1 CP2 yes N 1 . 16764 HAL 2 . SING CP1 CP6 yes N 2 . 16764 HAL 3 . SING CP1 C1 no N 3 . 16764 HAL 4 . SING CP2 CP3 yes N 4 . 16764 HAL 5 . SING CP2 HP2 no N 5 . 16764 HAL 6 . DOUB CP3 CP4 yes N 6 . 16764 HAL 7 . SING CP3 HP3 no N 7 . 16764 HAL 8 . SING CP4 CP5 yes N 8 . 16764 HAL 9 . SING CP4 HP4 no N 9 . 16764 HAL 10 . DOUB CP5 CP6 yes N 10 . 16764 HAL 11 . SING CP5 HP5 no N 11 . 16764 HAL 12 . SING CP6 HP6 no N 12 . 16764 HAL 13 . SING C1 C2 no N 13 . 16764 HAL 14 . SING C1 HC11 no N 14 . 16764 HAL 15 . SING C1 HC12 no N 15 . 16764 HAL 16 . SING C2 N1 no N 16 . 16764 HAL 17 . SING C2 HC21 no N 17 . 16764 HAL 18 . SING C2 HC22 no N 18 . 16764 HAL 19 . SING N1 C3 no N 19 . 16764 HAL 20 . SING N1 HN1 no N 20 . 16764 HAL 21 . DOUB C3 O1 no N 21 . 16764 HAL 22 . SING C3 C4 no N 22 . 16764 HAL 23 . SING C4 O2 no N 23 . 16764 HAL 24 . SING C4 HC41 no N 24 . 16764 HAL 25 . SING C4 HC42 no N 25 . 16764 HAL 26 . SING O2 P no N 26 . 16764 HAL 27 . DOUB P O3 no N 27 . 16764 HAL 28 . SING P O4 no N 28 . 16764 HAL 29 . SING P C5 no N 29 . 16764 HAL 30 . SING O4 HO4 no N 30 . 16764 HAL 31 . SING C5 C6 no N 31 . 16764 HAL 32 . SING C5 N2 no N 32 . 16764 HAL 33 . SING C5 HC5 no N 33 . 16764 HAL 34 . SING C6 CR1 no N 34 . 16764 HAL 35 . SING C6 HC61 no N 35 . 16764 HAL 36 . SING C6 HC62 no N 36 . 16764 HAL 37 . DOUB CR1 CR2 yes N 37 . 16764 HAL 38 . SING CR1 CR6 yes N 38 . 16764 HAL 39 . SING CR2 CR3 yes N 39 . 16764 HAL 40 . SING CR2 HR2 no N 40 . 16764 HAL 41 . DOUB CR3 CR4 yes N 41 . 16764 HAL 42 . SING CR3 HR3 no N 42 . 16764 HAL 43 . SING CR4 CR5 yes N 43 . 16764 HAL 44 . SING CR4 HR4 no N 44 . 16764 HAL 45 . DOUB CR5 CR6 yes N 45 . 16764 HAL 46 . SING CR5 HR5 no N 46 . 16764 HAL 47 . SING CR6 HR6 no N 47 . 16764 HAL 48 . SING N2 C7 no N 48 . 16764 HAL 49 . SING N2 HN2 no N 49 . 16764 HAL 50 . DOUB C7 O5 no N 50 . 16764 HAL 51 . SING C7 C8 no N 51 . 16764 HAL 52 . SING C8 C9 no N 52 . 16764 HAL 53 . SING C8 HC81 no N 53 . 16764 HAL 54 . SING C8 HC82 no N 54 . 16764 HAL 55 . SING C9 C10 no N 55 . 16764 HAL 56 . SING C9 HC91 no N 56 . 16764 HAL 57 . SING C9 HC92 no N 57 . 16764 HAL 58 . SING C10 C11 no N 58 . 16764 HAL 59 . SING C10 H101 no N 59 . 16764 HAL 60 . SING C10 H102 no N 60 . 16764 HAL 61 . SING C11 O6 no N 61 . 16764 HAL 62 . DOUB C11 O7 no N 62 . 16764 HAL 63 . SING O6 HO6 no N 63 . 16764 HAL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16764 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM [13C,15N]CaM in 100 mM KCl, 50 mM MOPS (pH 7.2), 20 mM CaCl, 5 mM MgCl, 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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-99% 13C; U-99% 15N]' . . 1 $CALMODULIN . . 2 . . mM . . . . 16764 1 2 Halothane 'natural abundance' . . 3 $HAL . . 20 . . mM . . . . 16764 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 16764 1 4 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 16764 1 5 CaCl2 'natural abundance' . . 2 $CA . . 20 . . mM . . . . 16764 1 6 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16764 1 7 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16764 1 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16764 1 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16764 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16764 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2mM [15N]CaM in 100 mM KCl, 50 mM MOPS (pH 7.2), 20 mM CaCl, 5 mM MgCl, 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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-99% 15N]' . . 1 $CALMODULIN . . 2 . . mM . . . . 16764 2 2 Halothane 'natural abundance' . . 3 $HAL . . 20 . . mM . . . . 16764 2 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 16764 2 4 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 16764 2 5 CaCl2 'natural abundance' . . 2 $CA . . 20 . . mM . . . . 16764 2 6 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16764 2 7 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16764 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16764 2 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16764 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16764 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16764 1 pH 7.2 . pH 16764 1 pressure 1 . atm 16764 1 temperature 298 . K 16764 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 16764 _Software.ID 1 _Software.Name X-PLOR _Software.Version 'MSI XPLOR 3.843' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 16764 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16764 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16764 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16764 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16764 _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 spectrometer_1 Bruker Avance . 700 . . . 16764 1 2 spectrometer_2 Bruker Avance . 500 . . . 16764 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 16764 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 9 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16764 1 11 '3D 1H-15N NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16764 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16764 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details DSS 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 na indirect 0.251449530 . . . . . . . . . 16764 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16764 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16764 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16764 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 16764 1 2 '3D HNCA' . . . 16764 1 3 '3D HNCACB' . . . 16764 1 4 '3D HBHA(CO)NH' . . . 16764 1 6 '3D HCCH-TOCSY' . . . 16764 1 10 '3D HCCH-COSY' . . . 16764 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 H H 1 7.77 0.05 . 1 . . . . 1 ALA H . 16764 1 2 . 1 1 1 1 ALA HA H 1 4.21 0.05 . 1 . . . . 1 ALA HA . 16764 1 3 . 1 1 1 1 ALA HB1 H 1 1.73 0.05 . 1 . . . . 1 ALA HB . 16764 1 4 . 1 1 1 1 ALA HB2 H 1 1.73 0.05 . 1 . . . . 1 ALA HB . 16764 1 5 . 1 1 1 1 ALA HB3 H 1 1.73 0.05 . 1 . . . . 1 ALA HB . 16764 1 6 . 1 1 1 1 ALA CA C 13 57.00 0.10 . 1 . . . . 1 ALA CA . 16764 1 7 . 1 1 1 1 ALA CB C 13 16.90 0.10 . 1 . . . . 1 ALA CB . 16764 1 8 . 1 1 1 1 ALA N N 15 120.68 0.10 . 1 . . . . 1 ALA N . 16764 1 9 . 1 1 2 2 ASP H H 1 8.22 0.05 . 1 . . . . 2 ASP H . 16764 1 10 . 1 1 2 2 ASP HA H 1 4.53 0.05 . 1 . . . . 2 ASP HA . 16764 1 11 . 1 1 2 2 ASP HB2 H 1 2.59 0.05 . 2 . . . . 2 ASP HB2 . 16764 1 12 . 1 1 2 2 ASP HB3 H 1 2.45 0.05 . 2 . . . . 2 ASP HB3 . 16764 1 13 . 1 1 2 2 ASP CA C 13 54.70 0.10 . 1 . . . . 2 ASP CA . 16764 1 14 . 1 1 2 2 ASP CB C 13 40.96 0.10 . 1 . . . . 2 ASP CB . 16764 1 15 . 1 1 2 2 ASP N N 15 121.76 0.10 . 1 . . . . 2 ASP N . 16764 1 16 . 1 1 3 3 GLN H H 1 8.29 0.05 . 1 . . . . 3 GLN H . 16764 1 17 . 1 1 3 3 GLN HA H 1 4.27 0.05 . 1 . . . . 3 GLN HA . 16764 1 18 . 1 1 3 3 GLN HB2 H 1 1.99 0.05 . 2 . . . . 3 GLN HB2 . 16764 1 19 . 1 1 3 3 GLN HB3 H 1 1.87 0.05 . 2 . . . . 3 GLN HB3 . 16764 1 20 . 1 1 3 3 GLN HE21 H 1 6.67 0.05 . 1 . . . . 3 GLN HE21 . 16764 1 21 . 1 1 3 3 GLN HE22 H 1 7.47 0.05 . 1 . . . . 3 GLN HE22 . 16764 1 22 . 1 1 3 3 GLN HG2 H 1 2.26 0.05 . 2 . . . . 3 GLN HG2 . 16764 1 23 . 1 1 3 3 GLN HG3 H 1 2.26 0.05 . 2 . . . . 3 GLN HG3 . 16764 1 24 . 1 1 3 3 GLN C C 13 176.64 0.10 . 1 . . . . 3 GLN C . 16764 1 25 . 1 1 3 3 GLN CA C 13 55.55 0.10 . 1 . . . . 3 GLN CA . 16764 1 26 . 1 1 3 3 GLN CB C 13 29.50 0.10 . 1 . . . . 3 GLN CB . 16764 1 27 . 1 1 3 3 GLN CG C 13 33.85 0.10 . 1 . . . . 3 GLN CG . 16764 1 28 . 1 1 3 3 GLN N N 15 119.86 0.10 . 1 . . . . 3 GLN N . 16764 1 29 . 1 1 3 3 GLN NE2 N 15 112.20 0.10 . 1 . . . . 3 GLN NE2 . 16764 1 30 . 1 1 4 4 LEU H H 1 8.24 0.05 . 1 . . . . 4 LEU H . 16764 1 31 . 1 1 4 4 LEU HA H 1 4.57 0.05 . 1 . . . . 4 LEU HA . 16764 1 32 . 1 1 4 4 LEU HB2 H 1 1.65 0.05 . 2 . . . . 4 LEU HB2 . 16764 1 33 . 1 1 4 4 LEU HB3 H 1 1.41 0.05 . 2 . . . . 4 LEU HB3 . 16764 1 34 . 1 1 4 4 LEU HD11 H 1 0.83 0.05 . 1 . . . . 4 LEU HD1 . 16764 1 35 . 1 1 4 4 LEU HD12 H 1 0.83 0.05 . 1 . . . . 4 LEU HD1 . 16764 1 36 . 1 1 4 4 LEU HD13 H 1 0.83 0.05 . 1 . . . . 4 LEU HD1 . 16764 1 37 . 1 1 4 4 LEU HD21 H 1 0.85 0.05 . 1 . . . . 4 LEU HD2 . 16764 1 38 . 1 1 4 4 LEU HD22 H 1 0.85 0.05 . 1 . . . . 4 LEU HD2 . 16764 1 39 . 1 1 4 4 LEU HD23 H 1 0.85 0.05 . 1 . . . . 4 LEU HD2 . 16764 1 40 . 1 1 4 4 LEU HG H 1 1.60 0.05 . 1 . . . . 4 LEU HG . 16764 1 41 . 1 1 4 4 LEU C C 13 175.75 0.10 . 1 . . . . 4 LEU C . 16764 1 42 . 1 1 4 4 LEU CA C 13 54.50 0.10 . 1 . . . . 4 LEU CA . 16764 1 43 . 1 1 4 4 LEU CB C 13 43.50 0.10 . 1 . . . . 4 LEU CB . 16764 1 44 . 1 1 4 4 LEU CD1 C 13 23.75 0.10 . 1 . . . . 4 LEU CD1 . 16764 1 45 . 1 1 4 4 LEU CD2 C 13 27.00 0.10 . 1 . . . . 4 LEU CD2 . 16764 1 46 . 1 1 4 4 LEU CG C 13 27.55 0.10 . 1 . . . . 4 LEU CG . 16764 1 47 . 1 1 4 4 LEU N N 15 123.17 0.10 . 1 . . . . 4 LEU N . 16764 1 48 . 1 1 5 5 THR H H 1 8.66 0.05 . 1 . . . . 5 THR H . 16764 1 49 . 1 1 5 5 THR HA H 1 4.35 0.05 . 1 . . . . 5 THR HA . 16764 1 50 . 1 1 5 5 THR HB H 1 4.66 0.05 . 1 . . . . 5 THR HB . 16764 1 51 . 1 1 5 5 THR HG21 H 1 1.24 0.05 . 1 . . . . 5 THR HG2 . 16764 1 52 . 1 1 5 5 THR HG22 H 1 1.24 0.05 . 1 . . . . 5 THR HG2 . 16764 1 53 . 1 1 5 5 THR HG23 H 1 1.24 0.05 . 1 . . . . 5 THR HG2 . 16764 1 54 . 1 1 5 5 THR C C 13 175.79 0.10 . 1 . . . . 5 THR C . 16764 1 55 . 1 1 5 5 THR CA C 13 60.30 0.10 . 1 . . . . 5 THR CA . 16764 1 56 . 1 1 5 5 THR CB C 13 71.30 0.10 . 1 . . . . 5 THR CB . 16764 1 57 . 1 1 5 5 THR CG2 C 13 21.80 0.10 . 1 . . . . 5 THR CG2 . 16764 1 58 . 1 1 5 5 THR N N 15 113.10 0.10 . 1 . . . . 5 THR N . 16764 1 59 . 1 1 6 6 GLU H H 1 8.95 0.05 . 1 . . . . 6 GLU H . 16764 1 60 . 1 1 6 6 GLU HA H 1 3.88 0.05 . 1 . . . . 6 GLU HA . 16764 1 61 . 1 1 6 6 GLU HB2 H 1 1.95 0.05 . 2 . . . . 6 GLU HB2 . 16764 1 62 . 1 1 6 6 GLU HB3 H 1 1.95 0.05 . 2 . . . . 6 GLU HB3 . 16764 1 63 . 1 1 6 6 GLU HG2 H 1 2.24 0.05 . 2 . . . . 6 GLU HG2 . 16764 1 64 . 1 1 6 6 GLU HG3 H 1 2.32 0.05 . 2 . . . . 6 GLU HG3 . 16764 1 65 . 1 1 6 6 GLU C C 13 177.74 0.10 . 1 . . . . 6 GLU C . 16764 1 66 . 1 1 6 6 GLU CA C 13 60.10 0.10 . 1 . . . . 6 GLU CA . 16764 1 67 . 1 1 6 6 GLU CB C 13 29.10 0.10 . 1 . . . . 6 GLU CB . 16764 1 68 . 1 1 6 6 GLU CG C 13 36.55 0.10 . 1 . . . . 6 GLU CG . 16764 1 69 . 1 1 6 6 GLU N N 15 120.38 0.10 . 1 . . . . 6 GLU N . 16764 1 70 . 1 1 7 7 GLU H H 1 8.63 0.05 . 1 . . . . 7 GLU H . 16764 1 71 . 1 1 7 7 GLU HA H 1 3.92 0.05 . 1 . . . . 7 GLU HA . 16764 1 72 . 1 1 7 7 GLU HB2 H 1 1.94 0.05 . 2 . . . . 7 GLU HB2 . 16764 1 73 . 1 1 7 7 GLU HB3 H 1 1.83 0.05 . 2 . . . . 7 GLU HB3 . 16764 1 74 . 1 1 7 7 GLU HG2 H 1 2.21 0.05 . 2 . . . . 7 GLU HG2 . 16764 1 75 . 1 1 7 7 GLU HG3 H 1 2.23 0.05 . 2 . . . . 7 GLU HG3 . 16764 1 76 . 1 1 7 7 GLU C C 13 175.47 0.10 . 1 . . . . 7 GLU C . 16764 1 77 . 1 1 7 7 GLU CA C 13 59.80 0.10 . 1 . . . . 7 GLU CA . 16764 1 78 . 1 1 7 7 GLU CB C 13 29.20 0.10 . 1 . . . . 7 GLU CB . 16764 1 79 . 1 1 7 7 GLU CG C 13 36.80 0.10 . 1 . . . . 7 GLU CG . 16764 1 80 . 1 1 7 7 GLU N N 15 119.60 0.10 . 1 . . . . 7 GLU N . 16764 1 81 . 1 1 8 8 GLN H H 1 7.68 0.05 . 1 . . . . 8 GLN H . 16764 1 82 . 1 1 8 8 GLN HA H 1 3.80 0.05 . 1 . . . . 8 GLN HA . 16764 1 83 . 1 1 8 8 GLN HB2 H 1 2.27 0.05 . 2 . . . . 8 GLN HB2 . 16764 1 84 . 1 1 8 8 GLN HB3 H 1 1.56 0.05 . 2 . . . . 8 GLN HB3 . 16764 1 85 . 1 1 8 8 GLN HE21 H 1 7.45 0.05 . 1 . . . . 8 GLN HE21 . 16764 1 86 . 1 1 8 8 GLN HE22 H 1 6.77 0.05 . 1 . . . . 8 GLN HE22 . 16764 1 87 . 1 1 8 8 GLN HG2 H 1 2.18 0.05 . 2 . . . . 8 GLN HG2 . 16764 1 88 . 1 1 8 8 GLN HG3 H 1 2.24 0.05 . 2 . . . . 8 GLN HG3 . 16764 1 89 . 1 1 8 8 GLN C C 13 179.57 0.10 . 1 . . . . 8 GLN C . 16764 1 90 . 1 1 8 8 GLN CA C 13 59.00 0.10 . 1 . . . . 8 GLN CA . 16764 1 91 . 1 1 8 8 GLN CB C 13 29.50 0.10 . 1 . . . . 8 GLN CB . 16764 1 92 . 1 1 8 8 GLN CG C 13 34.30 0.10 . 1 . . . . 8 GLN CG . 16764 1 93 . 1 1 8 8 GLN N N 15 120.35 0.10 . 1 . . . . 8 GLN N . 16764 1 94 . 1 1 8 8 GLN NE2 N 15 112.80 0.10 . 1 . . . . 8 GLN NE2 . 16764 1 95 . 1 1 9 9 ILE H H 1 8.30 0.05 . 1 . . . . 9 ILE H . 16764 1 96 . 1 1 9 9 ILE HA H 1 3.60 0.05 . 1 . . . . 9 ILE HA . 16764 1 97 . 1 1 9 9 ILE HB H 1 1.84 0.05 . 1 . . . . 9 ILE HB . 16764 1 98 . 1 1 9 9 ILE HD11 H 1 0.76 0.05 . 1 . . . . 9 ILE HD1 . 16764 1 99 . 1 1 9 9 ILE HD12 H 1 0.76 0.05 . 1 . . . . 9 ILE HD1 . 16764 1 100 . 1 1 9 9 ILE HD13 H 1 0.76 0.05 . 1 . . . . 9 ILE HD1 . 16764 1 101 . 1 1 9 9 ILE HG12 H 1 0.99 0.05 . 1 . . . . 9 ILE HG12 . 16764 1 102 . 1 1 9 9 ILE HG13 H 1 1.72 0.05 . 1 . . . . 9 ILE HG13 . 16764 1 103 . 1 1 9 9 ILE HG21 H 1 1.03 0.05 . 1 . . . . 9 ILE HG2 . 16764 1 104 . 1 1 9 9 ILE HG22 H 1 1.03 0.05 . 1 . . . . 9 ILE HG2 . 16764 1 105 . 1 1 9 9 ILE HG23 H 1 1.03 0.05 . 1 . . . . 9 ILE HG2 . 16764 1 106 . 1 1 9 9 ILE C C 13 179.19 0.10 . 1 . . . . 9 ILE C . 16764 1 107 . 1 1 9 9 ILE CA C 13 66.48 0.10 . 1 . . . . 9 ILE CA . 16764 1 108 . 1 1 9 9 ILE CB C 13 37.70 0.10 . 1 . . . . 9 ILE CB . 16764 1 109 . 1 1 9 9 ILE CD1 C 13 13.10 0.10 . 1 . . . . 9 ILE CD1 . 16764 1 110 . 1 1 9 9 ILE CG1 C 13 29.80 0.10 . 1 . . . . 9 ILE CG1 . 16764 1 111 . 1 1 9 9 ILE CG2 C 13 17.35 0.10 . 1 . . . . 9 ILE CG2 . 16764 1 112 . 1 1 9 9 ILE N N 15 119.65 0.10 . 1 . . . . 9 ILE N . 16764 1 113 . 1 1 10 10 ALA H H 1 7.91 0.05 . 1 . . . . 10 ALA H . 16764 1 114 . 1 1 10 10 ALA HA H 1 4.03 0.05 . 1 . . . . 10 ALA HA . 16764 1 115 . 1 1 10 10 ALA HB1 H 1 1.42 0.05 . 1 . . . . 10 ALA HB . 16764 1 116 . 1 1 10 10 ALA HB2 H 1 1.42 0.05 . 1 . . . . 10 ALA HB . 16764 1 117 . 1 1 10 10 ALA HB3 H 1 1.42 0.05 . 1 . . . . 10 ALA HB . 16764 1 118 . 1 1 10 10 ALA C C 13 178.37 0.10 . 1 . . . . 10 ALA C . 16764 1 119 . 1 1 10 10 ALA CA C 13 55.30 0.10 . 1 . . . . 10 ALA CA . 16764 1 120 . 1 1 10 10 ALA CB C 13 17.95 0.10 . 1 . . . . 10 ALA CB . 16764 1 121 . 1 1 10 10 ALA N N 15 121.10 0.10 . 1 . . . . 10 ALA N . 16764 1 122 . 1 1 11 11 GLU H H 1 7.68 0.05 . 1 . . . . 11 GLU H . 16764 1 123 . 1 1 11 11 GLU HA H 1 3.95 0.05 . 1 . . . . 11 GLU HA . 16764 1 124 . 1 1 11 11 GLU HB2 H 1 1.82 0.05 . 2 . . . . 11 GLU HB2 . 16764 1 125 . 1 1 11 11 GLU HB3 H 1 1.93 0.05 . 2 . . . . 11 GLU HB3 . 16764 1 126 . 1 1 11 11 GLU HG2 H 1 2.34 0.05 . 2 . . . . 11 GLU HG2 . 16764 1 127 . 1 1 11 11 GLU HG3 H 1 2.19 0.05 . 2 . . . . 11 GLU HG3 . 16764 1 128 . 1 1 11 11 GLU C C 13 177.81 0.10 . 1 . . . . 11 GLU C . 16764 1 129 . 1 1 11 11 GLU CA C 13 59.39 0.10 . 1 . . . . 11 GLU CA . 16764 1 130 . 1 1 11 11 GLU CB C 13 29.30 0.10 . 1 . . . . 11 GLU CB . 16764 1 131 . 1 1 11 11 GLU CG C 13 36.35 0.10 . 1 . . . . 11 GLU CG . 16764 1 132 . 1 1 11 11 GLU N N 15 119.50 0.10 . 1 . . . . 11 GLU N . 16764 1 133 . 1 1 12 12 PHE H H 1 8.46 0.05 . 1 . . . . 12 PHE H . 16764 1 134 . 1 1 12 12 PHE HA H 1 4.95 0.05 . 1 . . . . 12 PHE HA . 16764 1 135 . 1 1 12 12 PHE HB2 H 1 3.38 0.05 . 2 . . . . 12 PHE HB2 . 16764 1 136 . 1 1 12 12 PHE HB3 H 1 3.38 0.05 . 2 . . . . 12 PHE HB3 . 16764 1 137 . 1 1 12 12 PHE HD1 H 1 7.16 0.05 . 1 . . . . 12 PHE HD1 . 16764 1 138 . 1 1 12 12 PHE HD2 H 1 7.16 0.05 . 1 . . . . 12 PHE HD2 . 16764 1 139 . 1 1 12 12 PHE HE1 H 1 7.10 0.05 . 1 . . . . 12 PHE HE1 . 16764 1 140 . 1 1 12 12 PHE HE2 H 1 7.10 0.05 . 1 . . . . 12 PHE HE2 . 16764 1 141 . 1 1 12 12 PHE HZ H 1 7.24 0.05 . 1 . . . . 12 PHE HZ . 16764 1 142 . 1 1 12 12 PHE C C 13 181.10 0.10 . 1 . . . . 12 PHE C . 16764 1 143 . 1 1 12 12 PHE CA C 13 59.20 0.10 . 1 . . . . 12 PHE CA . 16764 1 144 . 1 1 12 12 PHE CB C 13 37.80 0.10 . 1 . . . . 12 PHE CB . 16764 1 145 . 1 1 12 12 PHE CD1 C 13 130.60 0.10 . 1 . . . . 12 PHE CD1 . 16764 1 146 . 1 1 12 12 PHE CD2 C 13 130.60 0.10 . 1 . . . . 12 PHE CD2 . 16764 1 147 . 1 1 12 12 PHE CE1 C 13 130.10 0.10 . 1 . . . . 12 PHE CE1 . 16764 1 148 . 1 1 12 12 PHE CE2 C 13 130.10 0.10 . 1 . . . . 12 PHE CE2 . 16764 1 149 . 1 1 12 12 PHE CZ C 13 123.70 0.10 . 1 . . . . 12 PHE CZ . 16764 1 150 . 1 1 12 12 PHE N N 15 120.15 0.10 . 1 . . . . 12 PHE N . 16764 1 151 . 1 1 13 13 LYS H H 1 9.11 0.05 . 1 . . . . 13 LYS H . 16764 1 152 . 1 1 13 13 LYS HA H 1 3.90 0.05 . 1 . . . . 13 LYS HA . 16764 1 153 . 1 1 13 13 LYS HB2 H 1 1.81 0.05 . 2 . . . . 13 LYS HB2 . 16764 1 154 . 1 1 13 13 LYS HB3 H 1 1.97 0.05 . 2 . . . . 13 LYS HB3 . 16764 1 155 . 1 1 13 13 LYS HD2 H 1 1.24 0.05 . 2 . . . . 13 LYS HD2 . 16764 1 156 . 1 1 13 13 LYS HD3 H 1 1.10 0.05 . 2 . . . . 13 LYS HD3 . 16764 1 157 . 1 1 13 13 LYS HE2 H 1 2.46 0.05 . 1 . . . . 13 LYS HE2 . 16764 1 158 . 1 1 13 13 LYS HE3 H 1 2.46 0.05 . 1 . . . . 13 LYS HE3 . 16764 1 159 . 1 1 13 13 LYS HG2 H 1 1.08 0.05 . 2 . . . . 13 LYS HG2 . 16764 1 160 . 1 1 13 13 LYS HG3 H 1 0.91 0.05 . 2 . . . . 13 LYS HG3 . 16764 1 161 . 1 1 13 13 LYS C C 13 180.51 0.10 . 1 . . . . 13 LYS C . 16764 1 162 . 1 1 13 13 LYS CA C 13 60.10 0.10 . 1 . . . . 13 LYS CA . 16764 1 163 . 1 1 13 13 LYS CB C 13 31.90 0.10 . 1 . . . . 13 LYS CB . 16764 1 164 . 1 1 13 13 LYS CD C 13 28.70 0.10 . 1 . . . . 13 LYS CD . 16764 1 165 . 1 1 13 13 LYS CE C 13 41.70 0.10 . 1 . . . . 13 LYS CE . 16764 1 166 . 1 1 13 13 LYS CG C 13 25.40 0.10 . 1 . . . . 13 LYS CG . 16764 1 167 . 1 1 13 13 LYS N N 15 123.42 0.10 . 1 . . . . 13 LYS N . 16764 1 168 . 1 1 14 14 GLU H H 1 7.69 0.05 . 1 . . . . 14 GLU H . 16764 1 169 . 1 1 14 14 GLU HA H 1 4.04 0.05 . 1 . . . . 14 GLU HA . 16764 1 170 . 1 1 14 14 GLU HB2 H 1 1.98 0.05 . 2 . . . . 14 GLU HB2 . 16764 1 171 . 1 1 14 14 GLU HB3 H 1 1.98 0.05 . 2 . . . . 14 GLU HB3 . 16764 1 172 . 1 1 14 14 GLU HG2 H 1 2.20 0.05 . 2 . . . . 14 GLU HG2 . 16764 1 173 . 1 1 14 14 GLU HG3 H 1 2.25 0.05 . 2 . . . . 14 GLU HG3 . 16764 1 174 . 1 1 14 14 GLU C C 13 178.76 0.10 . 1 . . . . 14 GLU C . 16764 1 175 . 1 1 14 14 GLU CA C 13 59.40 0.10 . 1 . . . . 14 GLU CA . 16764 1 176 . 1 1 14 14 GLU CB C 13 29.70 0.10 . 1 . . . . 14 GLU CB . 16764 1 177 . 1 1 14 14 GLU CG C 13 36.60 0.10 . 1 . . . . 14 GLU CG . 16764 1 178 . 1 1 14 14 GLU N N 15 120.40 0.10 . 1 . . . . 14 GLU N . 16764 1 179 . 1 1 15 15 ALA H H 1 7.87 0.05 . 1 . . . . 15 ALA H . 16764 1 180 . 1 1 15 15 ALA HA H 1 4.11 0.05 . 1 . . . . 15 ALA HA . 16764 1 181 . 1 1 15 15 ALA HB1 H 1 1.86 0.05 . 1 . . . . 15 ALA HB . 16764 1 182 . 1 1 15 15 ALA HB2 H 1 1.86 0.05 . 1 . . . . 15 ALA HB . 16764 1 183 . 1 1 15 15 ALA HB3 H 1 1.86 0.05 . 1 . . . . 15 ALA HB . 16764 1 184 . 1 1 15 15 ALA C C 13 179.34 0.10 . 1 . . . . 15 ALA C . 16764 1 185 . 1 1 15 15 ALA CA C 13 55.30 0.10 . 1 . . . . 15 ALA CA . 16764 1 186 . 1 1 15 15 ALA CB C 13 18.00 0.10 . 1 . . . . 15 ALA CB . 16764 1 187 . 1 1 15 15 ALA N N 15 122.50 0.10 . 1 . . . . 15 ALA N . 16764 1 188 . 1 1 16 16 PHE H H 1 8.69 0.05 . 1 . . . . 16 PHE H . 16764 1 189 . 1 1 16 16 PHE HA H 1 3.13 0.05 . 1 . . . . 16 PHE HA . 16764 1 190 . 1 1 16 16 PHE HB2 H 1 3.03 0.05 . 2 . . . . 16 PHE HB2 . 16764 1 191 . 1 1 16 16 PHE HB3 H 1 2.85 0.05 . 2 . . . . 16 PHE HB3 . 16764 1 192 . 1 1 16 16 PHE HD1 H 1 6.52 0.05 . 1 . . . . 16 PHE HD1 . 16764 1 193 . 1 1 16 16 PHE HD2 H 1 6.52 0.05 . 1 . . . . 16 PHE HD2 . 16764 1 194 . 1 1 16 16 PHE HE1 H 1 6.93 0.05 . 1 . . . . 16 PHE HE1 . 16764 1 195 . 1 1 16 16 PHE HE2 H 1 6.93 0.05 . 1 . . . . 16 PHE HE2 . 16764 1 196 . 1 1 16 16 PHE HZ H 1 7.14 0.05 . 1 . . . . 16 PHE HZ . 16764 1 197 . 1 1 16 16 PHE C C 13 179.50 0.10 . 1 . . . . 16 PHE C . 16764 1 198 . 1 1 16 16 PHE CA C 13 62.05 0.10 . 1 . . . . 16 PHE CA . 16764 1 199 . 1 1 16 16 PHE CB C 13 39.40 0.10 . 1 . . . . 16 PHE CB . 16764 1 200 . 1 1 16 16 PHE CD1 C 13 132.10 0.10 . 1 . . . . 16 PHE CD1 . 16764 1 201 . 1 1 16 16 PHE CD2 C 13 132.10 0.10 . 1 . . . . 16 PHE CD2 . 16764 1 202 . 1 1 16 16 PHE CE1 C 13 129.10 0.10 . 1 . . . . 16 PHE CE1 . 16764 1 203 . 1 1 16 16 PHE CE2 C 13 129.10 0.10 . 1 . . . . 16 PHE CE2 . 16764 1 204 . 1 1 16 16 PHE CZ C 13 131.30 0.10 . 1 . . . . 16 PHE CZ . 16764 1 205 . 1 1 16 16 PHE N N 15 119.05 0.10 . 1 . . . . 16 PHE N . 16764 1 206 . 1 1 17 17 SER H H 1 7.90 0.05 . 1 . . . . 17 SER H . 16764 1 207 . 1 1 17 17 SER HA H 1 4.32 0.05 . 1 . . . . 17 SER HA . 16764 1 208 . 1 1 17 17 SER HB2 H 1 3.97 0.05 . 2 . . . . 17 SER HB2 . 16764 1 209 . 1 1 17 17 SER HB3 H 1 3.86 0.05 . 2 . . . . 17 SER HB3 . 16764 1 210 . 1 1 17 17 SER C C 13 178.48 0.10 . 1 . . . . 17 SER C . 16764 1 211 . 1 1 17 17 SER CA C 13 61.50 0.10 . 1 . . . . 17 SER CA . 16764 1 212 . 1 1 17 17 SER CB C 13 63.50 0.10 . 1 . . . . 17 SER CB . 16764 1 213 . 1 1 17 17 SER N N 15 112.78 0.10 . 1 . . . . 17 SER N . 16764 1 214 . 1 1 18 18 LEU H H 1 7.26 0.05 . 1 . . . . 18 LEU H . 16764 1 215 . 1 1 18 18 LEU HA H 1 3.87 0.05 . 1 . . . . 18 LEU HA . 16764 1 216 . 1 1 18 18 LEU HB2 H 1 1.46 0.05 . 2 . . . . 18 LEU HB2 . 16764 1 217 . 1 1 18 18 LEU HB3 H 1 1.57 0.05 . 2 . . . . 18 LEU HB3 . 16764 1 218 . 1 1 18 18 LEU HD11 H 1 0.71 0.05 . 1 . . . . 18 LEU HD1 . 16764 1 219 . 1 1 18 18 LEU HD12 H 1 0.71 0.05 . 1 . . . . 18 LEU HD1 . 16764 1 220 . 1 1 18 18 LEU HD13 H 1 0.71 0.05 . 1 . . . . 18 LEU HD1 . 16764 1 221 . 1 1 18 18 LEU HD21 H 1 0.58 0.05 . 1 . . . . 18 LEU HD2 . 16764 1 222 . 1 1 18 18 LEU HD22 H 1 0.58 0.05 . 1 . . . . 18 LEU HD2 . 16764 1 223 . 1 1 18 18 LEU HD23 H 1 0.58 0.05 . 1 . . . . 18 LEU HD2 . 16764 1 224 . 1 1 18 18 LEU HG H 1 1.38 0.05 . 1 . . . . 18 LEU HG . 16764 1 225 . 1 1 18 18 LEU C C 13 177.43 0.10 . 1 . . . . 18 LEU C . 16764 1 226 . 1 1 18 18 LEU CA C 13 57.30 0.10 . 1 . . . . 18 LEU CA . 16764 1 227 . 1 1 18 18 LEU CB C 13 41.50 0.10 . 1 . . . . 18 LEU CB . 16764 1 228 . 1 1 18 18 LEU CD1 C 13 24.60 0.10 . 1 . . . . 18 LEU CD1 . 16764 1 229 . 1 1 18 18 LEU CD2 C 13 24.00 0.10 . 1 . . . . 18 LEU CD2 . 16764 1 230 . 1 1 18 18 LEU CG C 13 25.80 0.10 . 1 . . . . 18 LEU CG . 16764 1 231 . 1 1 18 18 LEU N N 15 120.80 0.10 . 1 . . . . 18 LEU N . 16764 1 232 . 1 1 19 19 PHE H H 1 7.05 0.05 . 1 . . . . 19 PHE H . 16764 1 233 . 1 1 19 19 PHE HA H 1 4.10 0.05 . 1 . . . . 19 PHE HA . 16764 1 234 . 1 1 19 19 PHE HB2 H 1 2.55 0.05 . 2 . . . . 19 PHE HB2 . 16764 1 235 . 1 1 19 19 PHE HB3 H 1 2.58 0.05 . 2 . . . . 19 PHE HB3 . 16764 1 236 . 1 1 19 19 PHE HD1 H 1 7.16 0.05 . 1 . . . . 19 PHE HD1 . 16764 1 237 . 1 1 19 19 PHE HD2 H 1 7.16 0.05 . 1 . . . . 19 PHE HD2 . 16764 1 238 . 1 1 19 19 PHE HE1 H 1 7.21 0.05 . 1 . . . . 19 PHE HE1 . 16764 1 239 . 1 1 19 19 PHE HE2 H 1 7.21 0.05 . 1 . . . . 19 PHE HE2 . 16764 1 240 . 1 1 19 19 PHE HZ H 1 6.19 0.05 . 1 . . . . 19 PHE HZ . 16764 1 241 . 1 1 19 19 PHE C C 13 174.89 0.10 . 1 . . . . 19 PHE C . 16764 1 242 . 1 1 19 19 PHE CA C 13 59.30 0.10 . 1 . . . . 19 PHE CA . 16764 1 243 . 1 1 19 19 PHE CB C 13 41.30 0.10 . 1 . . . . 19 PHE CB . 16764 1 244 . 1 1 19 19 PHE CD1 C 13 131.50 0.10 . 1 . . . . 19 PHE CD1 . 16764 1 245 . 1 1 19 19 PHE CD2 C 13 131.50 0.10 . 1 . . . . 19 PHE CD2 . 16764 1 246 . 1 1 19 19 PHE CE1 C 13 131.30 0.10 . 1 . . . . 19 PHE CE1 . 16764 1 247 . 1 1 19 19 PHE CE2 C 13 131.30 0.10 . 1 . . . . 19 PHE CE2 . 16764 1 248 . 1 1 19 19 PHE CZ C 13 132.30 0.10 . 1 . . . . 19 PHE CZ . 16764 1 249 . 1 1 19 19 PHE N N 15 114.31 0.10 . 1 . . . . 19 PHE N . 16764 1 250 . 1 1 20 20 ASP H H 1 7.72 0.05 . 1 . . . . 20 ASP H . 16764 1 251 . 1 1 20 20 ASP HA H 1 4.45 0.05 . 1 . . . . 20 ASP HA . 16764 1 252 . 1 1 20 20 ASP HB2 H 1 2.20 0.05 . 2 . . . . 20 ASP HB2 . 16764 1 253 . 1 1 20 20 ASP HB3 H 1 1.38 0.05 . 2 . . . . 20 ASP HB3 . 16764 1 254 . 1 1 20 20 ASP CA C 13 52.50 0.10 . 1 . . . . 20 ASP CA . 16764 1 255 . 1 1 20 20 ASP CB C 13 39.00 0.10 . 1 . . . . 20 ASP CB . 16764 1 256 . 1 1 20 20 ASP N N 15 117.13 0.10 . 1 . . . . 20 ASP N . 16764 1 257 . 1 1 21 21 LYS H H 1 7.61 0.05 . 1 . . . . 21 LYS H . 16764 1 258 . 1 1 21 21 LYS HA H 1 3.88 0.05 . 1 . . . . 21 LYS HA . 16764 1 259 . 1 1 21 21 LYS HB2 H 1 1.74 0.05 . 2 . . . . 21 LYS HB2 . 16764 1 260 . 1 1 21 21 LYS HB3 H 1 1.74 0.05 . 2 . . . . 21 LYS HB3 . 16764 1 261 . 1 1 21 21 LYS HD2 H 1 1.59 0.05 . 2 . . . . 21 LYS HD2 . 16764 1 262 . 1 1 21 21 LYS HD3 H 1 1.59 0.05 . 2 . . . . 21 LYS HD3 . 16764 1 263 . 1 1 21 21 LYS HE2 H 1 2.88 0.05 . 1 . . . . 21 LYS HE2 . 16764 1 264 . 1 1 21 21 LYS HE3 H 1 2.88 0.05 . 1 . . . . 21 LYS HE3 . 16764 1 265 . 1 1 21 21 LYS HG2 H 1 1.37 0.05 . 2 . . . . 21 LYS HG2 . 16764 1 266 . 1 1 21 21 LYS HG3 H 1 1.54 0.05 . 2 . . . . 21 LYS HG3 . 16764 1 267 . 1 1 21 21 LYS C C 13 176.84 0.10 . 1 . . . . 21 LYS C . 16764 1 268 . 1 1 21 21 LYS CA C 13 58.50 0.10 . 1 . . . . 21 LYS CA . 16764 1 269 . 1 1 21 21 LYS CB C 13 32.70 0.10 . 1 . . . . 21 LYS CB . 16764 1 270 . 1 1 21 21 LYS CD C 13 28.10 0.10 . 1 . . . . 21 LYS CD . 16764 1 271 . 1 1 21 21 LYS CE C 13 42.00 0.10 . 1 . . . . 21 LYS CE . 16764 1 272 . 1 1 21 21 LYS CG C 13 24.40 0.10 . 1 . . . . 21 LYS CG . 16764 1 273 . 1 1 21 21 LYS N N 15 124.82 0.10 . 1 . . . . 21 LYS N . 16764 1 274 . 1 1 22 22 ASP H H 1 7.96 0.05 . 1 . . . . 22 ASP H . 16764 1 275 . 1 1 22 22 ASP HA H 1 4.47 0.05 . 1 . . . . 22 ASP HA . 16764 1 276 . 1 1 22 22 ASP HB2 H 1 2.98 0.05 . 2 . . . . 22 ASP HB2 . 16764 1 277 . 1 1 22 22 ASP HB3 H 1 2.55 0.05 . 2 . . . . 22 ASP HB3 . 16764 1 278 . 1 1 22 22 ASP C C 13 177.15 0.10 . 1 . . . . 22 ASP C . 16764 1 279 . 1 1 22 22 ASP CA C 13 53.20 0.10 . 1 . . . . 22 ASP CA . 16764 1 280 . 1 1 22 22 ASP CB C 13 39.70 0.10 . 1 . . . . 22 ASP CB . 16764 1 281 . 1 1 22 22 ASP N N 15 113.88 0.10 . 1 . . . . 22 ASP N . 16764 1 282 . 1 1 23 23 GLY H H 1 7.61 0.05 . 1 . . . . 23 GLY H . 16764 1 283 . 1 1 23 23 GLY HA2 H 1 3.60 0.05 . 1 . . . . 23 GLY HA2 . 16764 1 284 . 1 1 23 23 GLY HA3 H 1 3.74 0.05 . 1 . . . . 23 GLY HA3 . 16764 1 285 . 1 1 23 23 GLY C C 13 178.21 0.10 . 1 . . . . 23 GLY C . 16764 1 286 . 1 1 23 23 GLY CA C 13 47.35 0.10 . 1 . . . . 23 GLY CA . 16764 1 287 . 1 1 23 23 GLY N N 15 109.34 0.10 . 1 . . . . 23 GLY N . 16764 1 288 . 1 1 24 24 ASP H H 1 8.32 0.05 . 1 . . . . 24 ASP H . 16764 1 289 . 1 1 24 24 ASP HA H 1 4.39 0.05 . 1 . . . . 24 ASP HA . 16764 1 290 . 1 1 24 24 ASP HB2 H 1 2.38 0.05 . 2 . . . . 24 ASP HB2 . 16764 1 291 . 1 1 24 24 ASP HB3 H 1 2.86 0.05 . 2 . . . . 24 ASP HB3 . 16764 1 292 . 1 1 24 24 ASP C C 13 177.78 0.10 . 1 . . . . 24 ASP C . 16764 1 293 . 1 1 24 24 ASP CA C 13 53.72 0.10 . 1 . . . . 24 ASP CA . 16764 1 294 . 1 1 24 24 ASP CB C 13 40.40 0.10 . 1 . . . . 24 ASP CB . 16764 1 295 . 1 1 24 24 ASP N N 15 120.75 0.10 . 1 . . . . 24 ASP N . 16764 1 296 . 1 1 25 25 GLY H H 1 10.54 0.05 . 1 . . . . 25 GLY H . 16764 1 297 . 1 1 25 25 GLY HA2 H 1 3.60 0.05 . 1 . . . . 25 GLY HA2 . 16764 1 298 . 1 1 25 25 GLY HA3 H 1 4.25 0.05 . 1 . . . . 25 GLY HA3 . 16764 1 299 . 1 1 25 25 GLY C C 13 175.20 0.10 . 1 . . . . 25 GLY C . 16764 1 300 . 1 1 25 25 GLY CA C 13 45.46 0.10 . 1 . . . . 25 GLY CA . 16764 1 301 . 1 1 25 25 GLY N N 15 113.10 0.10 . 1 . . . . 25 GLY N . 16764 1 302 . 1 1 26 26 THR H H 1 8.07 0.05 . 1 . . . . 26 THR H . 16764 1 303 . 1 1 26 26 THR HA H 1 5.26 0.05 . 1 . . . . 26 THR HA . 16764 1 304 . 1 1 26 26 THR HB H 1 3.74 0.05 . 1 . . . . 26 THR HB . 16764 1 305 . 1 1 26 26 THR HG21 H 1 0.94 0.05 . 1 . . . . 26 THR HG2 . 16764 1 306 . 1 1 26 26 THR HG22 H 1 0.94 0.05 . 1 . . . . 26 THR HG2 . 16764 1 307 . 1 1 26 26 THR HG23 H 1 0.94 0.05 . 1 . . . . 26 THR HG2 . 16764 1 308 . 1 1 26 26 THR C C 13 177.47 0.10 . 1 . . . . 26 THR C . 16764 1 309 . 1 1 26 26 THR CA C 13 59.76 0.10 . 1 . . . . 26 THR CA . 16764 1 310 . 1 1 26 26 THR CB C 13 72.60 0.10 . 1 . . . . 26 THR CB . 16764 1 311 . 1 1 26 26 THR CG2 C 13 21.80 0.10 . 1 . . . . 26 THR CG2 . 16764 1 312 . 1 1 26 26 THR N N 15 112.79 0.10 . 1 . . . . 26 THR N . 16764 1 313 . 1 1 27 27 ILE H H 1 9.78 0.05 . 1 . . . . 27 ILE H . 16764 1 314 . 1 1 27 27 ILE HA H 1 4.80 0.05 . 1 . . . . 27 ILE HA . 16764 1 315 . 1 1 27 27 ILE HB H 1 1.56 0.05 . 1 . . . . 27 ILE HB . 16764 1 316 . 1 1 27 27 ILE HD11 H 1 0.15 0.05 . 1 . . . . 27 ILE HD1 . 16764 1 317 . 1 1 27 27 ILE HD12 H 1 0.15 0.05 . 1 . . . . 27 ILE HD1 . 16764 1 318 . 1 1 27 27 ILE HD13 H 1 0.15 0.05 . 1 . . . . 27 ILE HD1 . 16764 1 319 . 1 1 27 27 ILE HG12 H 1 0.75 0.05 . 1 . . . . 27 ILE HG12 . 16764 1 320 . 1 1 27 27 ILE HG13 H 1 1.08 0.05 . 1 . . . . 27 ILE HG13 . 16764 1 321 . 1 1 27 27 ILE HG21 H 1 0.76 0.05 . 1 . . . . 27 ILE HG2 . 16764 1 322 . 1 1 27 27 ILE HG22 H 1 0.76 0.05 . 1 . . . . 27 ILE HG2 . 16764 1 323 . 1 1 27 27 ILE HG23 H 1 0.76 0.05 . 1 . . . . 27 ILE HG2 . 16764 1 324 . 1 1 27 27 ILE C C 13 173.76 0.10 . 1 . . . . 27 ILE C . 16764 1 325 . 1 1 27 27 ILE CA C 13 60.70 0.10 . 1 . . . . 27 ILE CA . 16764 1 326 . 1 1 27 27 ILE CB C 13 41.40 0.10 . 1 . . . . 27 ILE CB . 16764 1 327 . 1 1 27 27 ILE CD1 C 13 15.30 0.10 . 1 . . . . 27 ILE CD1 . 16764 1 328 . 1 1 27 27 ILE CG1 C 13 25.50 0.10 . 1 . . . . 27 ILE CG1 . 16764 1 329 . 1 1 27 27 ILE CG2 C 13 17.60 0.10 . 1 . . . . 27 ILE CG2 . 16764 1 330 . 1 1 27 27 ILE N N 15 127.07 0.10 . 1 . . . . 27 ILE N . 16764 1 331 . 1 1 28 28 THR H H 1 8.32 0.05 . 1 . . . . 28 THR H . 16764 1 332 . 1 1 28 28 THR HA H 1 4.70 0.05 . 1 . . . . 28 THR HA . 16764 1 333 . 1 1 28 28 THR HB H 1 4.67 0.05 . 1 . . . . 28 THR HB . 16764 1 334 . 1 1 28 28 THR HG21 H 1 1.17 0.05 . 1 . . . . 28 THR HG2 . 16764 1 335 . 1 1 28 28 THR HG22 H 1 1.17 0.05 . 1 . . . . 28 THR HG2 . 16764 1 336 . 1 1 28 28 THR HG23 H 1 1.17 0.05 . 1 . . . . 28 THR HG2 . 16764 1 337 . 1 1 28 28 THR C C 13 173.01 0.10 . 1 . . . . 28 THR C . 16764 1 338 . 1 1 28 28 THR CA C 13 59.45 0.10 . 1 . . . . 28 THR CA . 16764 1 339 . 1 1 28 28 THR CB C 13 72.50 0.10 . 1 . . . . 28 THR CB . 16764 1 340 . 1 1 28 28 THR CG2 C 13 21.80 0.10 . 1 . . . . 28 THR CG2 . 16764 1 341 . 1 1 28 28 THR N N 15 116.39 0.10 . 1 . . . . 28 THR N . 16764 1 342 . 1 1 29 29 THR H H 1 9.09 0.05 . 1 . . . . 29 THR H . 16764 1 343 . 1 1 29 29 THR HA H 1 3.68 0.05 . 1 . . . . 29 THR HA . 16764 1 344 . 1 1 29 29 THR HB H 1 4.11 0.05 . 1 . . . . 29 THR HB . 16764 1 345 . 1 1 29 29 THR HG21 H 1 1.14 0.05 . 1 . . . . 29 THR HG2 . 16764 1 346 . 1 1 29 29 THR HG22 H 1 1.14 0.05 . 1 . . . . 29 THR HG2 . 16764 1 347 . 1 1 29 29 THR HG23 H 1 1.14 0.05 . 1 . . . . 29 THR HG2 . 16764 1 348 . 1 1 29 29 THR C C 13 176.10 0.10 . 1 . . . . 29 THR C . 16764 1 349 . 1 1 29 29 THR CA C 13 66.40 0.10 . 1 . . . . 29 THR CA . 16764 1 350 . 1 1 29 29 THR CB C 13 67.90 0.10 . 1 . . . . 29 THR CB . 16764 1 351 . 1 1 29 29 THR CG2 C 13 23.30 0.10 . 1 . . . . 29 THR CG2 . 16764 1 352 . 1 1 29 29 THR N N 15 112.61 0.10 . 1 . . . . 29 THR N . 16764 1 353 . 1 1 30 30 LYS H H 1 7.58 0.05 . 1 . . . . 30 LYS H . 16764 1 354 . 1 1 30 30 LYS HA H 1 4.04 0.05 . 1 . . . . 30 LYS HA . 16764 1 355 . 1 1 30 30 LYS HB2 H 1 1.70 0.05 . 2 . . . . 30 LYS HB2 . 16764 1 356 . 1 1 30 30 LYS HB3 H 1 1.76 0.05 . 2 . . . . 30 LYS HB3 . 16764 1 357 . 1 1 30 30 LYS HD2 H 1 1.56 0.05 . 2 . . . . 30 LYS HD2 . 16764 1 358 . 1 1 30 30 LYS HD3 H 1 1.56 0.05 . 2 . . . . 30 LYS HD3 . 16764 1 359 . 1 1 30 30 LYS HE2 H 1 2.88 0.05 . 1 . . . . 30 LYS HE2 . 16764 1 360 . 1 1 30 30 LYS HE3 H 1 2.88 0.05 . 1 . . . . 30 LYS HE3 . 16764 1 361 . 1 1 30 30 LYS HG2 H 1 1.38 0.05 . 2 . . . . 30 LYS HG2 . 16764 1 362 . 1 1 30 30 LYS HG3 H 1 1.31 0.05 . 2 . . . . 30 LYS HG3 . 16764 1 363 . 1 1 30 30 LYS C C 13 176.57 0.10 . 1 . . . . 30 LYS C . 16764 1 364 . 1 1 30 30 LYS CA C 13 59.40 0.10 . 1 . . . . 30 LYS CA . 16764 1 365 . 1 1 30 30 LYS CB C 13 32.71 0.10 . 1 . . . . 30 LYS CB . 16764 1 366 . 1 1 30 30 LYS CD C 13 28.90 0.10 . 1 . . . . 30 LYS CD . 16764 1 367 . 1 1 30 30 LYS CE C 13 42.05 0.10 . 1 . . . . 30 LYS CE . 16764 1 368 . 1 1 30 30 LYS CG C 13 24.60 0.10 . 1 . . . . 30 LYS CG . 16764 1 369 . 1 1 30 30 LYS N N 15 121.15 0.10 . 1 . . . . 30 LYS N . 16764 1 370 . 1 1 31 31 GLU H H 1 7.60 0.05 . 1 . . . . 31 GLU H . 16764 1 371 . 1 1 31 31 GLU HA H 1 4.00 0.05 . 1 . . . . 31 GLU HA . 16764 1 372 . 1 1 31 31 GLU HB2 H 1 1.84 0.05 . 2 . . . . 31 GLU HB2 . 16764 1 373 . 1 1 31 31 GLU HB3 H 1 1.84 0.05 . 2 . . . . 31 GLU HB3 . 16764 1 374 . 1 1 31 31 GLU HG2 H 1 2.18 0.05 . 2 . . . . 31 GLU HG2 . 16764 1 375 . 1 1 31 31 GLU HG3 H 1 2.24 0.05 . 2 . . . . 31 GLU HG3 . 16764 1 376 . 1 1 31 31 GLU C C 13 177.27 0.10 . 1 . . . . 31 GLU C . 16764 1 377 . 1 1 31 31 GLU CA C 13 59.60 0.10 . 1 . . . . 31 GLU CA . 16764 1 378 . 1 1 31 31 GLU CB C 13 29.10 0.10 . 1 . . . . 31 GLU CB . 16764 1 379 . 1 1 31 31 GLU CG C 13 37.80 0.10 . 1 . . . . 31 GLU CG . 16764 1 380 . 1 1 31 31 GLU N N 15 121.40 0.10 . 1 . . . . 31 GLU N . 16764 1 381 . 1 1 32 32 LEU H H 1 8.60 0.05 . 1 . . . . 32 LEU H . 16764 1 382 . 1 1 32 32 LEU HA H 1 4.06 0.05 . 1 . . . . 32 LEU HA . 16764 1 383 . 1 1 32 32 LEU HB2 H 1 1.77 0.05 . 2 . . . . 32 LEU HB2 . 16764 1 384 . 1 1 32 32 LEU HB3 H 1 1.40 0.05 . 2 . . . . 32 LEU HB3 . 16764 1 385 . 1 1 32 32 LEU HD11 H 1 0.79 0.05 . 1 . . . . 32 LEU HD1 . 16764 1 386 . 1 1 32 32 LEU HD12 H 1 0.79 0.05 . 1 . . . . 32 LEU HD1 . 16764 1 387 . 1 1 32 32 LEU HD13 H 1 0.79 0.05 . 1 . . . . 32 LEU HD1 . 16764 1 388 . 1 1 32 32 LEU HD21 H 1 0.79 0.05 . 1 . . . . 32 LEU HD2 . 16764 1 389 . 1 1 32 32 LEU HD22 H 1 0.79 0.05 . 1 . . . . 32 LEU HD2 . 16764 1 390 . 1 1 32 32 LEU HD23 H 1 0.79 0.05 . 1 . . . . 32 LEU HD2 . 16764 1 391 . 1 1 32 32 LEU HG H 1 1.33 0.05 . 1 . . . . 32 LEU HG . 16764 1 392 . 1 1 32 32 LEU C C 13 179.89 0.10 . 1 . . . . 32 LEU C . 16764 1 393 . 1 1 32 32 LEU CA C 13 58.10 0.10 . 1 . . . . 32 LEU CA . 16764 1 394 . 1 1 32 32 LEU CB C 13 42.50 0.10 . 1 . . . . 32 LEU CB . 16764 1 395 . 1 1 32 32 LEU CD1 C 13 25.78 0.10 . 1 . . . . 32 LEU CD1 . 16764 1 396 . 1 1 32 32 LEU CD2 C 13 25.80 0.10 . 1 . . . . 32 LEU CD2 . 16764 1 397 . 1 1 32 32 LEU CG C 13 28.20 0.10 . 1 . . . . 32 LEU CG . 16764 1 398 . 1 1 32 32 LEU N N 15 120.55 0.10 . 1 . . . . 32 LEU N . 16764 1 399 . 1 1 33 33 GLY H H 1 8.64 0.05 . 1 . . . . 33 GLY H . 16764 1 400 . 1 1 33 33 GLY HA2 H 1 3.90 0.05 . 1 . . . . 33 GLY HA2 . 16764 1 401 . 1 1 33 33 GLY HA3 H 1 3.50 0.05 . 1 . . . . 33 GLY HA3 . 16764 1 402 . 1 1 33 33 GLY C C 13 179.30 0.10 . 1 . . . . 33 GLY C . 16764 1 403 . 1 1 33 33 GLY CA C 13 48.40 0.10 . 1 . . . . 33 GLY CA . 16764 1 404 . 1 1 33 33 GLY N N 15 105.81 0.10 . 1 . . . . 33 GLY N . 16764 1 405 . 1 1 34 34 THR H H 1 7.89 0.05 . 1 . . . . 34 THR H . 16764 1 406 . 1 1 34 34 THR HA H 1 3.84 0.05 . 1 . . . . 34 THR HA . 16764 1 407 . 1 1 34 34 THR HB H 1 4.23 0.05 . 1 . . . . 34 THR HB . 16764 1 408 . 1 1 34 34 THR HG21 H 1 1.18 0.05 . 1 . . . . 34 THR HG2 . 16764 1 409 . 1 1 34 34 THR HG22 H 1 1.18 0.05 . 1 . . . . 34 THR HG2 . 16764 1 410 . 1 1 34 34 THR HG23 H 1 1.18 0.05 . 1 . . . . 34 THR HG2 . 16764 1 411 . 1 1 34 34 THR C C 13 178.99 0.10 . 1 . . . . 34 THR C . 16764 1 412 . 1 1 34 34 THR CA C 13 67.00 0.10 . 1 . . . . 34 THR CA . 16764 1 413 . 1 1 34 34 THR CB C 13 68.70 0.10 . 1 . . . . 34 THR CB . 16764 1 414 . 1 1 34 34 THR CG2 C 13 21.80 0.10 . 1 . . . . 34 THR CG2 . 16764 1 415 . 1 1 34 34 THR N N 15 118.00 0.10 . 1 . . . . 34 THR N . 16764 1 416 . 1 1 35 35 VAL H H 1 7.52 0.05 . 1 . . . . 35 VAL H . 16764 1 417 . 1 1 35 35 VAL HA H 1 3.47 0.05 . 1 . . . . 35 VAL HA . 16764 1 418 . 1 1 35 35 VAL HB H 1 1.94 0.05 . 1 . . . . 35 VAL HB . 16764 1 419 . 1 1 35 35 VAL HG11 H 1 0.38 0.05 . 1 . . . . 35 VAL HG1 . 16764 1 420 . 1 1 35 35 VAL HG12 H 1 0.38 0.05 . 1 . . . . 35 VAL HG1 . 16764 1 421 . 1 1 35 35 VAL HG13 H 1 0.38 0.05 . 1 . . . . 35 VAL HG1 . 16764 1 422 . 1 1 35 35 VAL HG21 H 1 0.77 0.05 . 1 . . . . 35 VAL HG2 . 16764 1 423 . 1 1 35 35 VAL HG22 H 1 0.77 0.05 . 1 . . . . 35 VAL HG2 . 16764 1 424 . 1 1 35 35 VAL HG23 H 1 0.77 0.05 . 1 . . . . 35 VAL HG2 . 16764 1 425 . 1 1 35 35 VAL C C 13 175.20 0.10 . 1 . . . . 35 VAL C . 16764 1 426 . 1 1 35 35 VAL CA C 13 66.40 0.10 . 1 . . . . 35 VAL CA . 16764 1 427 . 1 1 35 35 VAL CB C 13 32.00 0.10 . 1 . . . . 35 VAL CB . 16764 1 428 . 1 1 35 35 VAL CG1 C 13 20.80 0.10 . 1 . . . . 35 VAL CG1 . 16764 1 429 . 1 1 35 35 VAL CG2 C 13 23.00 0.10 . 1 . . . . 35 VAL CG2 . 16764 1 430 . 1 1 35 35 VAL N N 15 121.97 0.10 . 1 . . . . 35 VAL N . 16764 1 431 . 1 1 36 36 MET H H 1 8.39 0.05 . 1 . . . . 36 MET H . 16764 1 432 . 1 1 36 36 MET HA H 1 4.05 0.05 . 1 . . . . 36 MET HA . 16764 1 433 . 1 1 36 36 MET HB2 H 1 2.30 0.05 . 2 . . . . 36 MET HB2 . 16764 1 434 . 1 1 36 36 MET HB3 H 1 2.19 0.05 . 2 . . . . 36 MET HB3 . 16764 1 435 . 1 1 36 36 MET HE1 H 1 1.89 0.05 . 1 . . . . 36 MET HE . 16764 1 436 . 1 1 36 36 MET HE2 H 1 1.89 0.05 . 1 . . . . 36 MET HE . 16764 1 437 . 1 1 36 36 MET HE3 H 1 1.89 0.05 . 1 . . . . 36 MET HE . 16764 1 438 . 1 1 36 36 MET HG2 H 1 2.50 0.05 . 2 . . . . 36 MET HG2 . 16764 1 439 . 1 1 36 36 MET HG3 H 1 1.96 0.05 . 2 . . . . 36 MET HG3 . 16764 1 440 . 1 1 36 36 MET C C 13 177.15 0.10 . 1 . . . . 36 MET C . 16764 1 441 . 1 1 36 36 MET CA C 13 59.80 0.10 . 1 . . . . 36 MET CA . 16764 1 442 . 1 1 36 36 MET CB C 13 36.20 0.10 . 1 . . . . 36 MET CB . 16764 1 443 . 1 1 36 36 MET CE C 13 17.40 0.10 . 1 . . . . 36 MET CE . 16764 1 444 . 1 1 36 36 MET CG C 13 32.80 0.10 . 1 . . . . 36 MET CG . 16764 1 445 . 1 1 36 36 MET N N 15 118.05 0.10 . 1 . . . . 36 MET N . 16764 1 446 . 1 1 37 37 ARG H H 1 8.46 0.05 . 1 . . . . 37 ARG H . 16764 1 447 . 1 1 37 37 ARG HA H 1 4.70 0.05 . 1 . . . . 37 ARG HA . 16764 1 448 . 1 1 37 37 ARG HB2 H 1 1.76 0.05 . 2 . . . . 37 ARG HB2 . 16764 1 449 . 1 1 37 37 ARG HB3 H 1 1.70 0.05 . 2 . . . . 37 ARG HB3 . 16764 1 450 . 1 1 37 37 ARG HD2 H 1 3.04 0.05 . 2 . . . . 37 ARG HD2 . 16764 1 451 . 1 1 37 37 ARG HD3 H 1 3.21 0.05 . 2 . . . . 37 ARG HD3 . 16764 1 452 . 1 1 37 37 ARG HG2 H 1 1.72 0.05 . 2 . . . . 37 ARG HG2 . 16764 1 453 . 1 1 37 37 ARG HG3 H 1 1.72 0.05 . 2 . . . . 37 ARG HG3 . 16764 1 454 . 1 1 37 37 ARG C C 13 179.03 0.10 . 1 . . . . 37 ARG C . 16764 1 455 . 1 1 37 37 ARG CA C 13 59.20 0.10 . 1 . . . . 37 ARG CA . 16764 1 456 . 1 1 37 37 ARG CB C 13 30.10 0.10 . 1 . . . . 37 ARG CB . 16764 1 457 . 1 1 37 37 ARG CD C 13 43.50 0.10 . 1 . . . . 37 ARG CD . 16764 1 458 . 1 1 37 37 ARG CG C 13 29.20 0.10 . 1 . . . . 37 ARG CG . 16764 1 459 . 1 1 37 37 ARG N N 15 118.97 0.10 . 1 . . . . 37 ARG N . 16764 1 460 . 1 1 38 38 SER H H 1 7.86 0.05 . 1 . . . . 38 SER H . 16764 1 461 . 1 1 38 38 SER HA H 1 4.20 0.05 . 1 . . . . 38 SER HA . 16764 1 462 . 1 1 38 38 SER HB2 H 1 4.04 0.05 . 2 . . . . 38 SER HB2 . 16764 1 463 . 1 1 38 38 SER HB3 H 1 3.95 0.05 . 2 . . . . 38 SER HB3 . 16764 1 464 . 1 1 38 38 SER C C 13 179.11 0.10 . 1 . . . . 38 SER C . 16764 1 465 . 1 1 38 38 SER CA C 13 62.10 0.10 . 1 . . . . 38 SER CA . 16764 1 466 . 1 1 38 38 SER CB C 13 63.20 0.10 . 1 . . . . 38 SER CB . 16764 1 467 . 1 1 38 38 SER N N 15 118.93 0.10 . 1 . . . . 38 SER N . 16764 1 468 . 1 1 39 39 LEU H H 1 7.20 0.05 . 1 . . . . 39 LEU H . 16764 1 469 . 1 1 39 39 LEU HA H 1 4.38 0.05 . 1 . . . . 39 LEU HA . 16764 1 470 . 1 1 39 39 LEU HB2 H 1 1.60 0.05 . 2 . . . . 39 LEU HB2 . 16764 1 471 . 1 1 39 39 LEU HB3 H 1 1.70 0.05 . 2 . . . . 39 LEU HB3 . 16764 1 472 . 1 1 39 39 LEU HD11 H 1 0.72 0.05 . 1 . . . . 39 LEU HD1 . 16764 1 473 . 1 1 39 39 LEU HD12 H 1 0.72 0.05 . 1 . . . . 39 LEU HD1 . 16764 1 474 . 1 1 39 39 LEU HD13 H 1 0.72 0.05 . 1 . . . . 39 LEU HD1 . 16764 1 475 . 1 1 39 39 LEU HD21 H 1 0.72 0.05 . 1 . . . . 39 LEU HD2 . 16764 1 476 . 1 1 39 39 LEU HD22 H 1 0.72 0.05 . 1 . . . . 39 LEU HD2 . 16764 1 477 . 1 1 39 39 LEU HD23 H 1 0.72 0.05 . 1 . . . . 39 LEU HD2 . 16764 1 478 . 1 1 39 39 LEU HG H 1 1.70 0.05 . 1 . . . . 39 LEU HG . 16764 1 479 . 1 1 39 39 LEU C C 13 181.25 0.10 . 1 . . . . 39 LEU C . 16764 1 480 . 1 1 39 39 LEU CA C 13 54.30 0.10 . 1 . . . . 39 LEU CA . 16764 1 481 . 1 1 39 39 LEU CB C 13 42.00 0.10 . 1 . . . . 39 LEU CB . 16764 1 482 . 1 1 39 39 LEU CD1 C 13 25.70 0.10 . 1 . . . . 39 LEU CD1 . 16764 1 483 . 1 1 39 39 LEU CD2 C 13 22.79 0.10 . 1 . . . . 39 LEU CD2 . 16764 1 484 . 1 1 39 39 LEU CG C 13 26.00 0.10 . 1 . . . . 39 LEU CG . 16764 1 485 . 1 1 39 39 LEU N N 15 120.20 0.10 . 1 . . . . 39 LEU N . 16764 1 486 . 1 1 40 40 GLY H H 1 7.78 0.05 . 1 . . . . 40 GLY H . 16764 1 487 . 1 1 40 40 GLY HA2 H 1 3.64 0.05 . 1 . . . . 40 GLY HA2 . 16764 1 488 . 1 1 40 40 GLY HA3 H 1 4.15 0.05 . 1 . . . . 40 GLY HA3 . 16764 1 489 . 1 1 40 40 GLY CA C 13 45.70 0.10 . 1 . . . . 40 GLY CA . 16764 1 490 . 1 1 40 40 GLY N N 15 106.27 0.10 . 1 . . . . 40 GLY N . 16764 1 491 . 1 1 41 41 GLN H H 1 7.72 0.05 . 1 . . . . 41 GLN H . 16764 1 492 . 1 1 41 41 GLN HA H 1 4.38 0.05 . 1 . . . . 41 GLN HA . 16764 1 493 . 1 1 41 41 GLN HB2 H 1 1.53 0.05 . 2 . . . . 41 GLN HB2 . 16764 1 494 . 1 1 41 41 GLN HB3 H 1 2.14 0.05 . 2 . . . . 41 GLN HB3 . 16764 1 495 . 1 1 41 41 GLN HE21 H 1 7.30 0.05 . 1 . . . . 41 GLN HE21 . 16764 1 496 . 1 1 41 41 GLN HE22 H 1 6.70 0.05 . 1 . . . . 41 GLN HE22 . 16764 1 497 . 1 1 41 41 GLN HG2 H 1 2.12 0.05 . 2 . . . . 41 GLN HG2 . 16764 1 498 . 1 1 41 41 GLN HG3 H 1 2.12 0.05 . 2 . . . . 41 GLN HG3 . 16764 1 499 . 1 1 41 41 GLN C C 13 177.31 0.10 . 1 . . . . 41 GLN C . 16764 1 500 . 1 1 41 41 GLN CA C 13 54.48 0.10 . 1 . . . . 41 GLN CA . 16764 1 501 . 1 1 41 41 GLN CB C 13 28.40 0.10 . 1 . . . . 41 GLN CB . 16764 1 502 . 1 1 41 41 GLN CG C 13 33.80 0.10 . 1 . . . . 41 GLN CG . 16764 1 503 . 1 1 41 41 GLN N N 15 118.22 0.10 . 1 . . . . 41 GLN N . 16764 1 504 . 1 1 41 41 GLN NE2 N 15 109.90 0.10 . 1 . . . . 41 GLN NE2 . 16764 1 505 . 1 1 42 42 ASN H H 1 8.64 0.05 . 1 . . . . 42 ASN H . 16764 1 506 . 1 1 42 42 ASN HA H 1 5.11 0.05 . 1 . . . . 42 ASN HA . 16764 1 507 . 1 1 42 42 ASN HB2 H 1 2.68 0.05 . 2 . . . . 42 ASN HB2 . 16764 1 508 . 1 1 42 42 ASN HB3 H 1 2.41 0.05 . 2 . . . . 42 ASN HB3 . 16764 1 509 . 1 1 42 42 ASN HD21 H 1 7.48 0.05 . 2 . . . . 42 ASN HD21 . 16764 1 510 . 1 1 42 42 ASN HD22 H 1 6.68 0.05 . 2 . . . . 42 ASN HD22 . 16764 1 511 . 1 1 42 42 ASN CA C 13 51.40 0.10 . 1 . . . . 42 ASN CA . 16764 1 512 . 1 1 42 42 ASN CB C 13 39.30 0.10 . 1 . . . . 42 ASN CB . 16764 1 513 . 1 1 42 42 ASN N N 15 116.20 0.10 . 1 . . . . 42 ASN N . 16764 1 514 . 1 1 42 42 ASN ND2 N 15 112.20 0.10 . 1 . . . . 42 ASN ND2 . 16764 1 515 . 1 1 43 43 PRO HA H 1 4.66 0.05 . 1 . . . . 43 PRO HA . 16764 1 516 . 1 1 43 43 PRO HB2 H 1 2.19 0.05 . 2 . . . . 43 PRO HB2 . 16764 1 517 . 1 1 43 43 PRO HB3 H 1 1.80 0.05 . 2 . . . . 43 PRO HB3 . 16764 1 518 . 1 1 43 43 PRO HD2 H 1 3.16 0.05 . 2 . . . . 43 PRO HD2 . 16764 1 519 . 1 1 43 43 PRO HD3 H 1 3.51 0.05 . 2 . . . . 43 PRO HD3 . 16764 1 520 . 1 1 43 43 PRO HG2 H 1 1.82 0.05 . 2 . . . . 43 PRO HG2 . 16764 1 521 . 1 1 43 43 PRO HG3 H 1 1.82 0.05 . 2 . . . . 43 PRO HG3 . 16764 1 522 . 1 1 43 43 PRO CA C 13 62.50 0.10 . 1 . . . . 43 PRO CA . 16764 1 523 . 1 1 43 43 PRO CB C 13 31.80 0.10 . 1 . . . . 43 PRO CB . 16764 1 524 . 1 1 43 43 PRO CD C 13 49.80 0.10 . 1 . . . . 43 PRO CD . 16764 1 525 . 1 1 43 43 PRO CG C 13 27.30 0.10 . 1 . . . . 43 PRO CG . 16764 1 526 . 1 1 44 44 THR H H 1 8.68 0.05 . 1 . . . . 44 THR H . 16764 1 527 . 1 1 44 44 THR HA H 1 4.37 0.05 . 1 . . . . 44 THR HA . 16764 1 528 . 1 1 44 44 THR HB H 1 4.66 0.05 . 1 . . . . 44 THR HB . 16764 1 529 . 1 1 44 44 THR HG21 H 1 1.24 0.05 . 1 . . . . 44 THR HG2 . 16764 1 530 . 1 1 44 44 THR HG22 H 1 1.24 0.05 . 1 . . . . 44 THR HG2 . 16764 1 531 . 1 1 44 44 THR HG23 H 1 1.24 0.05 . 1 . . . . 44 THR HG2 . 16764 1 532 . 1 1 44 44 THR CA C 13 60.90 0.10 . 1 . . . . 44 THR CA . 16764 1 533 . 1 1 44 44 THR CB C 13 71.20 0.10 . 1 . . . . 44 THR CB . 16764 1 534 . 1 1 44 44 THR CG2 C 13 21.80 0.10 . 1 . . . . 44 THR CG2 . 16764 1 535 . 1 1 44 44 THR N N 15 113.05 0.10 . 1 . . . . 44 THR N . 16764 1 536 . 1 1 45 45 GLU H H 1 8.76 0.05 . 1 . . . . 45 GLU H . 16764 1 537 . 1 1 45 45 GLU HA H 1 3.89 0.05 . 1 . . . . 45 GLU HA . 16764 1 538 . 1 1 45 45 GLU HB2 H 1 1.95 0.05 . 2 . . . . 45 GLU HB2 . 16764 1 539 . 1 1 45 45 GLU HB3 H 1 1.94 0.05 . 2 . . . . 45 GLU HB3 . 16764 1 540 . 1 1 45 45 GLU HG2 H 1 2.23 0.05 . 2 . . . . 45 GLU HG2 . 16764 1 541 . 1 1 45 45 GLU HG3 H 1 2.23 0.05 . 2 . . . . 45 GLU HG3 . 16764 1 542 . 1 1 45 45 GLU CA C 13 60.10 0.10 . 1 . . . . 45 GLU CA . 16764 1 543 . 1 1 45 45 GLU CB C 13 29.00 0.10 . 1 . . . . 45 GLU CB . 16764 1 544 . 1 1 45 45 GLU CG C 13 36.00 0.10 . 1 . . . . 45 GLU CG . 16764 1 545 . 1 1 45 45 GLU N N 15 120.79 0.10 . 1 . . . . 45 GLU N . 16764 1 546 . 1 1 46 46 ALA H H 1 8.22 0.05 . 1 . . . . 46 ALA H . 16764 1 547 . 1 1 46 46 ALA HA H 1 4.00 0.05 . 1 . . . . 46 ALA HA . 16764 1 548 . 1 1 46 46 ALA HB1 H 1 1.30 0.05 . 1 . . . . 46 ALA HB . 16764 1 549 . 1 1 46 46 ALA HB2 H 1 1.30 0.05 . 1 . . . . 46 ALA HB . 16764 1 550 . 1 1 46 46 ALA HB3 H 1 1.30 0.05 . 1 . . . . 46 ALA HB . 16764 1 551 . 1 1 46 46 ALA C C 13 175.16 0.10 . 1 . . . . 46 ALA C . 16764 1 552 . 1 1 46 46 ALA CA C 13 55.13 0.10 . 1 . . . . 46 ALA CA . 16764 1 553 . 1 1 46 46 ALA CB C 13 18.30 0.10 . 1 . . . . 46 ALA CB . 16764 1 554 . 1 1 46 46 ALA N N 15 120.62 0.10 . 1 . . . . 46 ALA N . 16764 1 555 . 1 1 47 47 GLU H H 1 7.64 0.05 . 1 . . . . 47 GLU H . 16764 1 556 . 1 1 47 47 GLU HA H 1 3.90 0.05 . 1 . . . . 47 GLU HA . 16764 1 557 . 1 1 47 47 GLU HB2 H 1 1.80 0.05 . 2 . . . . 47 GLU HB2 . 16764 1 558 . 1 1 47 47 GLU HB3 H 1 1.75 0.05 . 2 . . . . 47 GLU HB3 . 16764 1 559 . 1 1 47 47 GLU HG2 H 1 2.18 0.05 . 2 . . . . 47 GLU HG2 . 16764 1 560 . 1 1 47 47 GLU HG3 H 1 2.29 0.05 . 2 . . . . 47 GLU HG3 . 16764 1 561 . 1 1 47 47 GLU C C 13 178.95 0.10 . 1 . . . . 47 GLU C . 16764 1 562 . 1 1 47 47 GLU CA C 13 59.21 0.10 . 1 . . . . 47 GLU CA . 16764 1 563 . 1 1 47 47 GLU CB C 13 30.10 0.10 . 1 . . . . 47 GLU CB . 16764 1 564 . 1 1 47 47 GLU CG C 13 37.60 0.10 . 1 . . . . 47 GLU CG . 16764 1 565 . 1 1 47 47 GLU N N 15 118.83 0.10 . 1 . . . . 47 GLU N . 16764 1 566 . 1 1 48 48 LEU H H 1 8.11 0.05 . 1 . . . . 48 LEU H . 16764 1 567 . 1 1 48 48 LEU HA H 1 3.95 0.05 . 1 . . . . 48 LEU HA . 16764 1 568 . 1 1 48 48 LEU HB2 H 1 2.09 0.05 . 2 . . . . 48 LEU HB2 . 16764 1 569 . 1 1 48 48 LEU HB3 H 1 1.19 0.05 . 2 . . . . 48 LEU HB3 . 16764 1 570 . 1 1 48 48 LEU HD11 H 1 0.70 0.05 . 1 . . . . 48 LEU HD1 . 16764 1 571 . 1 1 48 48 LEU HD12 H 1 0.70 0.05 . 1 . . . . 48 LEU HD1 . 16764 1 572 . 1 1 48 48 LEU HD13 H 1 0.70 0.05 . 1 . . . . 48 LEU HD1 . 16764 1 573 . 1 1 48 48 LEU HD21 H 1 0.79 0.05 . 1 . . . . 48 LEU HD2 . 16764 1 574 . 1 1 48 48 LEU HD22 H 1 0.79 0.05 . 1 . . . . 48 LEU HD2 . 16764 1 575 . 1 1 48 48 LEU HD23 H 1 0.79 0.05 . 1 . . . . 48 LEU HD2 . 16764 1 576 . 1 1 48 48 LEU HG H 1 1.48 0.05 . 1 . . . . 48 LEU HG . 16764 1 577 . 1 1 48 48 LEU C C 13 180.39 0.10 . 1 . . . . 48 LEU C . 16764 1 578 . 1 1 48 48 LEU CA C 13 58.20 0.10 . 1 . . . . 48 LEU CA . 16764 1 579 . 1 1 48 48 LEU CB C 13 42.40 0.10 . 1 . . . . 48 LEU CB . 16764 1 580 . 1 1 48 48 LEU CD1 C 13 23.50 0.10 . 1 . . . . 48 LEU CD1 . 16764 1 581 . 1 1 48 48 LEU CD2 C 13 25.50 0.10 . 1 . . . . 48 LEU CD2 . 16764 1 582 . 1 1 48 48 LEU CG C 13 26.80 0.10 . 1 . . . . 48 LEU CG . 16764 1 583 . 1 1 48 48 LEU N N 15 120.50 0.10 . 1 . . . . 48 LEU N . 16764 1 584 . 1 1 49 49 GLN H H 1 8.19 0.05 . 1 . . . . 49 GLN H . 16764 1 585 . 1 1 49 49 GLN HA H 1 3.75 0.05 . 1 . . . . 49 GLN HA . 16764 1 586 . 1 1 49 49 GLN HB2 H 1 2.07 0.05 . 2 . . . . 49 GLN HB2 . 16764 1 587 . 1 1 49 49 GLN HB3 H 1 2.07 0.05 . 2 . . . . 49 GLN HB3 . 16764 1 588 . 1 1 49 49 GLN HE21 H 1 7.46 0.05 . 1 . . . . 49 GLN HE21 . 16764 1 589 . 1 1 49 49 GLN HE22 H 1 6.77 0.05 . 1 . . . . 49 GLN HE22 . 16764 1 590 . 1 1 49 49 GLN HG2 H 1 2.33 0.05 . 2 . . . . 49 GLN HG2 . 16764 1 591 . 1 1 49 49 GLN HG3 H 1 2.40 0.05 . 2 . . . . 49 GLN HG3 . 16764 1 592 . 1 1 49 49 GLN C C 13 180.27 0.10 . 1 . . . . 49 GLN C . 16764 1 593 . 1 1 49 49 GLN CA C 13 58.59 0.10 . 1 . . . . 49 GLN CA . 16764 1 594 . 1 1 49 49 GLN CB C 13 28.10 0.10 . 1 . . . . 49 GLN CB . 16764 1 595 . 1 1 49 49 GLN CG C 13 34.00 0.10 . 1 . . . . 49 GLN CG . 16764 1 596 . 1 1 49 49 GLN N N 15 118.27 0.10 . 1 . . . . 49 GLN N . 16764 1 597 . 1 1 49 49 GLN NE2 N 15 112.80 0.10 . 1 . . . . 49 GLN NE2 . 16764 1 598 . 1 1 50 50 ASP H H 1 8.02 0.05 . 1 . . . . 50 ASP H . 16764 1 599 . 1 1 50 50 ASP HA H 1 4.33 0.05 . 1 . . . . 50 ASP HA . 16764 1 600 . 1 1 50 50 ASP HB2 H 1 2.58 0.05 . 2 . . . . 50 ASP HB2 . 16764 1 601 . 1 1 50 50 ASP HB3 H 1 2.70 0.05 . 2 . . . . 50 ASP HB3 . 16764 1 602 . 1 1 50 50 ASP C C 13 178.63 0.10 . 1 . . . . 50 ASP C . 16764 1 603 . 1 1 50 50 ASP CA C 13 57.65 0.10 . 1 . . . . 50 ASP CA . 16764 1 604 . 1 1 50 50 ASP CB C 13 40.50 0.10 . 1 . . . . 50 ASP CB . 16764 1 605 . 1 1 50 50 ASP N N 15 119.85 0.10 . 1 . . . . 50 ASP N . 16764 1 606 . 1 1 51 51 MET H H 1 7.73 0.05 . 1 . . . . 51 MET H . 16764 1 607 . 1 1 51 51 MET HA H 1 3.94 0.05 . 1 . . . . 51 MET HA . 16764 1 608 . 1 1 51 51 MET HB2 H 1 2.17 0.05 . 2 . . . . 51 MET HB2 . 16764 1 609 . 1 1 51 51 MET HB3 H 1 1.95 0.05 . 2 . . . . 51 MET HB3 . 16764 1 610 . 1 1 51 51 MET HE1 H 1 1.98 0.05 . 1 . . . . 51 MET HE . 16764 1 611 . 1 1 51 51 MET HE2 H 1 1.98 0.05 . 1 . . . . 51 MET HE . 16764 1 612 . 1 1 51 51 MET HE3 H 1 1.98 0.05 . 1 . . . . 51 MET HE . 16764 1 613 . 1 1 51 51 MET HG2 H 1 2.39 0.05 . 2 . . . . 51 MET HG2 . 16764 1 614 . 1 1 51 51 MET HG3 H 1 2.68 0.05 . 2 . . . . 51 MET HG3 . 16764 1 615 . 1 1 51 51 MET C C 13 178.59 0.10 . 1 . . . . 51 MET C . 16764 1 616 . 1 1 51 51 MET CA C 13 59.30 0.10 . 1 . . . . 51 MET CA . 16764 1 617 . 1 1 51 51 MET CB C 13 33.20 0.10 . 1 . . . . 51 MET CB . 16764 1 618 . 1 1 51 51 MET CE C 13 17.25 0.10 . 1 . . . . 51 MET CE . 16764 1 619 . 1 1 51 51 MET CG C 13 32.50 0.10 . 1 . . . . 51 MET CG . 16764 1 620 . 1 1 51 51 MET N N 15 119.30 0.10 . 1 . . . . 51 MET N . 16764 1 621 . 1 1 52 52 ILE H H 1 7.60 0.05 . 1 . . . . 52 ILE H . 16764 1 622 . 1 1 52 52 ILE HA H 1 3.42 0.05 . 1 . . . . 52 ILE HA . 16764 1 623 . 1 1 52 52 ILE HB H 1 1.85 0.05 . 1 . . . . 52 ILE HB . 16764 1 624 . 1 1 52 52 ILE HD11 H 1 0.61 0.05 . 1 . . . . 52 ILE HD1 . 16764 1 625 . 1 1 52 52 ILE HD12 H 1 0.61 0.05 . 1 . . . . 52 ILE HD1 . 16764 1 626 . 1 1 52 52 ILE HD13 H 1 0.61 0.05 . 1 . . . . 52 ILE HD1 . 16764 1 627 . 1 1 52 52 ILE HG12 H 1 1.56 0.05 . 1 . . . . 52 ILE HG12 . 16764 1 628 . 1 1 52 52 ILE HG13 H 1 0.99 0.05 . 1 . . . . 52 ILE HG13 . 16764 1 629 . 1 1 52 52 ILE HG21 H 1 0.59 0.05 . 1 . . . . 52 ILE HG2 . 16764 1 630 . 1 1 52 52 ILE HG22 H 1 0.59 0.05 . 1 . . . . 52 ILE HG2 . 16764 1 631 . 1 1 52 52 ILE HG23 H 1 0.59 0.05 . 1 . . . . 52 ILE HG2 . 16764 1 632 . 1 1 52 52 ILE C C 13 178.71 0.10 . 1 . . . . 52 ILE C . 16764 1 633 . 1 1 52 52 ILE CA C 13 64.59 0.10 . 1 . . . . 52 ILE CA . 16764 1 634 . 1 1 52 52 ILE CB C 13 37.10 0.10 . 1 . . . . 52 ILE CB . 16764 1 635 . 1 1 52 52 ILE CD1 C 13 12.50 0.10 . 1 . . . . 52 ILE CD1 . 16764 1 636 . 1 1 52 52 ILE CG1 C 13 29.20 0.10 . 1 . . . . 52 ILE CG1 . 16764 1 637 . 1 1 52 52 ILE CG2 C 13 16.05 0.10 . 1 . . . . 52 ILE CG2 . 16764 1 638 . 1 1 52 52 ILE N N 15 118.05 0.10 . 1 . . . . 52 ILE N . 16764 1 639 . 1 1 53 53 ASN H H 1 8.57 0.05 . 1 . . . . 53 ASN H . 16764 1 640 . 1 1 53 53 ASN HA H 1 4.29 0.05 . 1 . . . . 53 ASN HA . 16764 1 641 . 1 1 53 53 ASN HB2 H 1 2.89 0.05 . 2 . . . . 53 ASN HB2 . 16764 1 642 . 1 1 53 53 ASN HB3 H 1 2.77 0.05 . 2 . . . . 53 ASN HB3 . 16764 1 643 . 1 1 53 53 ASN HD21 H 1 6.88 0.05 . 2 . . . . 53 ASN HD21 . 16764 1 644 . 1 1 53 53 ASN HD22 H 1 7.76 0.05 . 2 . . . . 53 ASN HD22 . 16764 1 645 . 1 1 53 53 ASN CA C 13 55.90 0.10 . 1 . . . . 53 ASN CA . 16764 1 646 . 1 1 53 53 ASN CB C 13 38.00 0.10 . 1 . . . . 53 ASN CB . 16764 1 647 . 1 1 53 53 ASN N N 15 117.82 0.10 . 1 . . . . 53 ASN N . 16764 1 648 . 1 1 53 53 ASN ND2 N 15 111.90 0.10 . 1 . . . . 53 ASN ND2 . 16764 1 649 . 1 1 54 54 GLU H H 1 7.42 0.05 . 1 . . . . 54 GLU H . 16764 1 650 . 1 1 54 54 GLU HA H 1 3.91 0.05 . 1 . . . . 54 GLU HA . 16764 1 651 . 1 1 54 54 GLU HB2 H 1 2.02 0.05 . 2 . . . . 54 GLU HB2 . 16764 1 652 . 1 1 54 54 GLU HB3 H 1 1.95 0.05 . 2 . . . . 54 GLU HB3 . 16764 1 653 . 1 1 54 54 GLU HG2 H 1 2.32 0.05 . 2 . . . . 54 GLU HG2 . 16764 1 654 . 1 1 54 54 GLU HG3 H 1 2.18 0.05 . 2 . . . . 54 GLU HG3 . 16764 1 655 . 1 1 54 54 GLU CA C 13 58.89 0.10 . 1 . . . . 54 GLU CA . 16764 1 656 . 1 1 54 54 GLU CB C 13 30.30 0.10 . 1 . . . . 54 GLU CB . 16764 1 657 . 1 1 54 54 GLU CG C 13 36.30 0.10 . 1 . . . . 54 GLU CG . 16764 1 658 . 1 1 54 54 GLU N N 15 116.25 0.10 . 1 . . . . 54 GLU N . 16764 1 659 . 1 1 55 55 VAL H H 1 7.09 0.05 . 1 . . . . 55 VAL H . 16764 1 660 . 1 1 55 55 VAL HA H 1 4.27 0.05 . 1 . . . . 55 VAL HA . 16764 1 661 . 1 1 55 55 VAL HB H 1 2.18 0.05 . 1 . . . . 55 VAL HB . 16764 1 662 . 1 1 55 55 VAL HG11 H 1 0.78 0.05 . 1 . . . . 55 VAL HG1 . 16764 1 663 . 1 1 55 55 VAL HG12 H 1 0.78 0.05 . 1 . . . . 55 VAL HG1 . 16764 1 664 . 1 1 55 55 VAL HG13 H 1 0.78 0.05 . 1 . . . . 55 VAL HG1 . 16764 1 665 . 1 1 55 55 VAL HG21 H 1 0.82 0.05 . 1 . . . . 55 VAL HG2 . 16764 1 666 . 1 1 55 55 VAL HG22 H 1 0.82 0.05 . 1 . . . . 55 VAL HG2 . 16764 1 667 . 1 1 55 55 VAL HG23 H 1 0.82 0.05 . 1 . . . . 55 VAL HG2 . 16764 1 668 . 1 1 55 55 VAL C C 13 177.39 0.10 . 1 . . . . 55 VAL C . 16764 1 669 . 1 1 55 55 VAL CA C 13 60.90 0.10 . 1 . . . . 55 VAL CA . 16764 1 670 . 1 1 55 55 VAL CB C 13 33.00 0.10 . 1 . . . . 55 VAL CB . 16764 1 671 . 1 1 55 55 VAL CG1 C 13 22.10 0.10 . 1 . . . . 55 VAL CG1 . 16764 1 672 . 1 1 55 55 VAL CG2 C 13 19.90 0.10 . 1 . . . . 55 VAL CG2 . 16764 1 673 . 1 1 55 55 VAL N N 15 110.10 0.10 . 1 . . . . 55 VAL N . 16764 1 674 . 1 1 56 56 ASP H H 1 7.58 0.05 . 1 . . . . 56 ASP H . 16764 1 675 . 1 1 56 56 ASP HA H 1 4.47 0.05 . 1 . . . . 56 ASP HA . 16764 1 676 . 1 1 56 56 ASP HB2 H 1 2.40 0.05 . 2 . . . . 56 ASP HB2 . 16764 1 677 . 1 1 56 56 ASP HB3 H 1 2.56 0.05 . 2 . . . . 56 ASP HB3 . 16764 1 678 . 1 1 56 56 ASP CA C 13 54.00 0.10 . 1 . . . . 56 ASP CA . 16764 1 679 . 1 1 56 56 ASP CB C 13 40.10 0.10 . 1 . . . . 56 ASP CB . 16764 1 680 . 1 1 56 56 ASP N N 15 121.43 0.10 . 1 . . . . 56 ASP N . 16764 1 681 . 1 1 57 57 ALA H H 1 8.28 0.05 . 1 . . . . 57 ALA H . 16764 1 682 . 1 1 57 57 ALA HA H 1 4.11 0.05 . 1 . . . . 57 ALA HA . 16764 1 683 . 1 1 57 57 ALA HB1 H 1 1.44 0.05 . 1 . . . . 57 ALA HB . 16764 1 684 . 1 1 57 57 ALA HB2 H 1 1.44 0.05 . 1 . . . . 57 ALA HB . 16764 1 685 . 1 1 57 57 ALA HB3 H 1 1.44 0.05 . 1 . . . . 57 ALA HB . 16764 1 686 . 1 1 57 57 ALA C C 13 175.74 0.10 . 1 . . . . 57 ALA C . 16764 1 687 . 1 1 57 57 ALA CA C 13 54.25 0.10 . 1 . . . . 57 ALA CA . 16764 1 688 . 1 1 57 57 ALA CB C 13 19.40 0.10 . 1 . . . . 57 ALA CB . 16764 1 689 . 1 1 57 57 ALA N N 15 131.77 0.10 . 1 . . . . 57 ALA N . 16764 1 690 . 1 1 58 58 ASP H H 1 8.08 0.05 . 1 . . . . 58 ASP H . 16764 1 691 . 1 1 58 58 ASP HA H 1 4.54 0.05 . 1 . . . . 58 ASP HA . 16764 1 692 . 1 1 58 58 ASP HB2 H 1 2.98 0.05 . 2 . . . . 58 ASP HB2 . 16764 1 693 . 1 1 58 58 ASP HB3 H 1 2.56 0.05 . 2 . . . . 58 ASP HB3 . 16764 1 694 . 1 1 58 58 ASP C C 13 176.17 0.10 . 1 . . . . 58 ASP C . 16764 1 695 . 1 1 58 58 ASP CA C 13 52.59 0.10 . 1 . . . . 58 ASP CA . 16764 1 696 . 1 1 58 58 ASP CB C 13 39.60 0.10 . 1 . . . . 58 ASP CB . 16764 1 697 . 1 1 58 58 ASP N N 15 113.82 0.10 . 1 . . . . 58 ASP N . 16764 1 698 . 1 1 59 59 GLY H H 1 7.49 0.05 . 1 . . . . 59 GLY H . 16764 1 699 . 1 1 59 59 GLY HA2 H 1 3.70 0.05 . 1 . . . . 59 GLY HA2 . 16764 1 700 . 1 1 59 59 GLY HA3 H 1 3.87 0.05 . 1 . . . . 59 GLY HA3 . 16764 1 701 . 1 1 59 59 GLY C C 13 178.71 0.10 . 1 . . . . 59 GLY C . 16764 1 702 . 1 1 59 59 GLY CA C 13 47.20 0.10 . 1 . . . . 59 GLY CA . 16764 1 703 . 1 1 59 59 GLY N N 15 108.36 0.10 . 1 . . . . 59 GLY N . 16764 1 704 . 1 1 60 60 ASN H H 1 8.03 0.05 . 1 . . . . 60 ASN H . 16764 1 705 . 1 1 60 60 ASN HA H 1 4.54 0.05 . 1 . . . . 60 ASN HA . 16764 1 706 . 1 1 60 60 ASN HB2 H 1 2.57 0.05 . 2 . . . . 60 ASN HB2 . 16764 1 707 . 1 1 60 60 ASN HB3 H 1 3.32 0.05 . 2 . . . . 60 ASN HB3 . 16764 1 708 . 1 1 60 60 ASN HD21 H 1 7.30 0.05 . 2 . . . . 60 ASN HD21 . 16764 1 709 . 1 1 60 60 ASN HD22 H 1 6.71 0.05 . 2 . . . . 60 ASN HD22 . 16764 1 710 . 1 1 60 60 ASN CA C 13 52.73 0.10 . 1 . . . . 60 ASN CA . 16764 1 711 . 1 1 60 60 ASN CB C 13 37.90 0.10 . 1 . . . . 60 ASN CB . 16764 1 712 . 1 1 60 60 ASN N N 15 118.61 0.10 . 1 . . . . 60 ASN N . 16764 1 713 . 1 1 60 60 ASN ND2 N 15 111.60 0.10 . 1 . . . . 60 ASN ND2 . 16764 1 714 . 1 1 61 61 GLY H H 1 10.50 0.05 . 1 . . . . 61 GLY H . 16764 1 715 . 1 1 61 61 GLY HA2 H 1 3.37 0.05 . 1 . . . . 61 GLY HA2 . 16764 1 716 . 1 1 61 61 GLY HA3 H 1 4.13 0.05 . 1 . . . . 61 GLY HA3 . 16764 1 717 . 1 1 61 61 GLY C C 13 175.00 0.10 . 1 . . . . 61 GLY C . 16764 1 718 . 1 1 61 61 GLY CA C 13 45.50 0.10 . 1 . . . . 61 GLY CA . 16764 1 719 . 1 1 61 61 GLY N N 15 113.42 0.10 . 1 . . . . 61 GLY N . 16764 1 720 . 1 1 62 62 THR H H 1 7.57 0.05 . 1 . . . . 62 THR H . 16764 1 721 . 1 1 62 62 THR HA H 1 4.66 0.05 . 1 . . . . 62 THR HA . 16764 1 722 . 1 1 62 62 THR HB H 1 3.92 0.05 . 1 . . . . 62 THR HB . 16764 1 723 . 1 1 62 62 THR HG21 H 1 1.02 0.05 . 1 . . . . 62 THR HG2 . 16764 1 724 . 1 1 62 62 THR HG22 H 1 1.02 0.05 . 1 . . . . 62 THR HG2 . 16764 1 725 . 1 1 62 62 THR HG23 H 1 1.02 0.05 . 1 . . . . 62 THR HG2 . 16764 1 726 . 1 1 62 62 THR C C 13 176.88 0.10 . 1 . . . . 62 THR C . 16764 1 727 . 1 1 62 62 THR CA C 13 59.50 0.10 . 1 . . . . 62 THR CA . 16764 1 728 . 1 1 62 62 THR CB C 13 72.10 0.10 . 1 . . . . 62 THR CB . 16764 1 729 . 1 1 62 62 THR CG2 C 13 22.30 0.10 . 1 . . . . 62 THR CG2 . 16764 1 730 . 1 1 62 62 THR N N 15 108.77 0.10 . 1 . . . . 62 THR N . 16764 1 731 . 1 1 63 63 ILE H H 1 8.73 0.05 . 1 . . . . 63 ILE H . 16764 1 732 . 1 1 63 63 ILE HA H 1 5.10 0.05 . 1 . . . . 63 ILE HA . 16764 1 733 . 1 1 63 63 ILE HB H 1 1.99 0.05 . 1 . . . . 63 ILE HB . 16764 1 734 . 1 1 63 63 ILE HD11 H 1 0.71 0.05 . 1 . . . . 63 ILE HD1 . 16764 1 735 . 1 1 63 63 ILE HD12 H 1 0.71 0.05 . 1 . . . . 63 ILE HD1 . 16764 1 736 . 1 1 63 63 ILE HD13 H 1 0.71 0.05 . 1 . . . . 63 ILE HD1 . 16764 1 737 . 1 1 63 63 ILE HG12 H 1 1.71 0.05 . 1 . . . . 63 ILE HG12 . 16764 1 738 . 1 1 63 63 ILE HG13 H 1 1.02 0.05 . 1 . . . . 63 ILE HG13 . 16764 1 739 . 1 1 63 63 ILE HG21 H 1 1.14 0.05 . 1 . . . . 63 ILE HG2 . 16764 1 740 . 1 1 63 63 ILE HG22 H 1 1.14 0.05 . 1 . . . . 63 ILE HG2 . 16764 1 741 . 1 1 63 63 ILE HG23 H 1 1.14 0.05 . 1 . . . . 63 ILE HG2 . 16764 1 742 . 1 1 63 63 ILE C C 13 173.29 0.10 . 1 . . . . 63 ILE C . 16764 1 743 . 1 1 63 63 ILE CA C 13 59.60 0.10 . 1 . . . . 63 ILE CA . 16764 1 744 . 1 1 63 63 ILE CB C 13 39.30 0.10 . 1 . . . . 63 ILE CB . 16764 1 745 . 1 1 63 63 ILE CD1 C 13 13.10 0.10 . 1 . . . . 63 ILE CD1 . 16764 1 746 . 1 1 63 63 ILE CG1 C 13 29.00 0.10 . 1 . . . . 63 ILE CG1 . 16764 1 747 . 1 1 63 63 ILE CG2 C 13 18.50 0.10 . 1 . . . . 63 ILE CG2 . 16764 1 748 . 1 1 63 63 ILE N N 15 123.62 0.10 . 1 . . . . 63 ILE N . 16764 1 749 . 1 1 64 64 ASP H H 1 8.72 0.05 . 1 . . . . 64 ASP H . 16764 1 750 . 1 1 64 64 ASP HA H 1 5.32 0.05 . 1 . . . . 64 ASP HA . 16764 1 751 . 1 1 64 64 ASP HB2 H 1 2.88 0.05 . 2 . . . . 64 ASP HB2 . 16764 1 752 . 1 1 64 64 ASP HB3 H 1 2.73 0.05 . 2 . . . . 64 ASP HB3 . 16764 1 753 . 1 1 64 64 ASP C C 13 173.25 0.10 . 1 . . . . 64 ASP C . 16764 1 754 . 1 1 64 64 ASP CA C 13 52.10 0.10 . 1 . . . . 64 ASP CA . 16764 1 755 . 1 1 64 64 ASP CB C 13 42.10 0.10 . 1 . . . . 64 ASP CB . 16764 1 756 . 1 1 64 64 ASP N N 15 128.00 0.10 . 1 . . . . 64 ASP N . 16764 1 757 . 1 1 65 65 PHE H H 1 8.86 0.05 . 1 . . . . 65 PHE H . 16764 1 758 . 1 1 65 65 PHE HA H 1 3.88 0.05 . 1 . . . . 65 PHE HA . 16764 1 759 . 1 1 65 65 PHE HB2 H 1 2.70 0.05 . 2 . . . . 65 PHE HB2 . 16764 1 760 . 1 1 65 65 PHE HB3 H 1 1.95 0.05 . 2 . . . . 65 PHE HB3 . 16764 1 761 . 1 1 65 65 PHE HD1 H 1 7.07 0.05 . 1 . . . . 65 PHE HD1 . 16764 1 762 . 1 1 65 65 PHE HD2 H 1 7.07 0.05 . 1 . . . . 65 PHE HD2 . 16764 1 763 . 1 1 65 65 PHE HE1 H 1 6.85 0.05 . 1 . . . . 65 PHE HE1 . 16764 1 764 . 1 1 65 65 PHE HE2 H 1 6.85 0.05 . 1 . . . . 65 PHE HE2 . 16764 1 765 . 1 1 65 65 PHE HZ H 1 7.95 0.05 . 1 . . . . 65 PHE HZ . 16764 1 766 . 1 1 65 65 PHE C C 13 175.63 0.10 . 1 . . . . 65 PHE C . 16764 1 767 . 1 1 65 65 PHE CA C 13 62.00 0.10 . 1 . . . . 65 PHE CA . 16764 1 768 . 1 1 65 65 PHE CB C 13 37.30 0.10 . 1 . . . . 65 PHE CB . 16764 1 769 . 1 1 65 65 PHE CD1 C 13 131.90 0.10 . 1 . . . . 65 PHE CD1 . 16764 1 770 . 1 1 65 65 PHE CD2 C 13 131.90 0.10 . 1 . . . . 65 PHE CD2 . 16764 1 771 . 1 1 65 65 PHE CE1 C 13 131.70 0.10 . 1 . . . . 65 PHE CE1 . 16764 1 772 . 1 1 65 65 PHE CE2 C 13 131.70 0.10 . 1 . . . . 65 PHE CE2 . 16764 1 773 . 1 1 65 65 PHE CZ C 13 133.40 0.10 . 1 . . . . 65 PHE CZ . 16764 1 774 . 1 1 65 65 PHE N N 15 118.73 0.10 . 1 . . . . 65 PHE N . 16764 1 775 . 1 1 66 66 PRO HA H 1 3.80 0.05 . 1 . . . . 66 PRO HA . 16764 1 776 . 1 1 66 66 PRO HB2 H 1 2.11 0.05 . 2 . . . . 66 PRO HB2 . 16764 1 777 . 1 1 66 66 PRO HB3 H 1 1.79 0.05 . 2 . . . . 66 PRO HB3 . 16764 1 778 . 1 1 66 66 PRO HD2 H 1 3.01 0.05 . 2 . . . . 66 PRO HD2 . 16764 1 779 . 1 1 66 66 PRO HD3 H 1 3.66 0.05 . 2 . . . . 66 PRO HD3 . 16764 1 780 . 1 1 66 66 PRO HG2 H 1 1.81 0.05 . 2 . . . . 66 PRO HG2 . 16764 1 781 . 1 1 66 66 PRO HG3 H 1 1.17 0.05 . 2 . . . . 66 PRO HG3 . 16764 1 782 . 1 1 66 66 PRO C C 13 176.26 0.10 . 1 . . . . 66 PRO C . 16764 1 783 . 1 1 66 66 PRO CA C 13 66.80 0.10 . 1 . . . . 66 PRO CA . 16764 1 784 . 1 1 66 66 PRO CB C 13 30.20 0.10 . 1 . . . . 66 PRO CB . 16764 1 785 . 1 1 66 66 PRO CD C 13 48.96 0.10 . 1 . . . . 66 PRO CD . 16764 1 786 . 1 1 66 66 PRO CG C 13 28.20 0.10 . 1 . . . . 66 PRO CG . 16764 1 787 . 1 1 67 67 GLU H H 1 7.86 0.05 . 1 . . . . 67 GLU H . 16764 1 788 . 1 1 67 67 GLU HA H 1 3.92 0.05 . 1 . . . . 67 GLU HA . 16764 1 789 . 1 1 67 67 GLU HB2 H 1 2.40 0.05 . 2 . . . . 67 GLU HB2 . 16764 1 790 . 1 1 67 67 GLU HB3 H 1 1.94 0.05 . 2 . . . . 67 GLU HB3 . 16764 1 791 . 1 1 67 67 GLU HG2 H 1 2.18 0.05 . 2 . . . . 67 GLU HG2 . 16764 1 792 . 1 1 67 67 GLU HG3 H 1 2.22 0.05 . 2 . . . . 67 GLU HG3 . 16764 1 793 . 1 1 67 67 GLU CA C 13 59.60 0.10 . 1 . . . . 67 GLU CA . 16764 1 794 . 1 1 67 67 GLU CB C 13 29.70 0.10 . 1 . . . . 67 GLU CB . 16764 1 795 . 1 1 67 67 GLU CG C 13 36.10 0.10 . 1 . . . . 67 GLU CG . 16764 1 796 . 1 1 67 67 GLU N N 15 119.90 0.10 . 1 . . . . 67 GLU N . 16764 1 797 . 1 1 68 68 PHE H H 1 8.69 0.05 . 1 . . . . 68 PHE H . 16764 1 798 . 1 1 68 68 PHE HA H 1 3.86 0.05 . 1 . . . . 68 PHE HA . 16764 1 799 . 1 1 68 68 PHE HB2 H 1 3.35 0.05 . 2 . . . . 68 PHE HB2 . 16764 1 800 . 1 1 68 68 PHE HB3 H 1 3.06 0.05 . 2 . . . . 68 PHE HB3 . 16764 1 801 . 1 1 68 68 PHE HD1 H 1 6.85 0.05 . 1 . . . . 68 PHE HD1 . 16764 1 802 . 1 1 68 68 PHE HD2 H 1 6.85 0.05 . 1 . . . . 68 PHE HD2 . 16764 1 803 . 1 1 68 68 PHE HE1 H 1 7.15 0.05 . 1 . . . . 68 PHE HE1 . 16764 1 804 . 1 1 68 68 PHE HE2 H 1 7.15 0.05 . 1 . . . . 68 PHE HE2 . 16764 1 805 . 1 1 68 68 PHE C C 13 177.62 0.10 . 1 . . . . 68 PHE C . 16764 1 806 . 1 1 68 68 PHE CA C 13 61.75 0.10 . 1 . . . . 68 PHE CA . 16764 1 807 . 1 1 68 68 PHE CB C 13 40.12 0.10 . 1 . . . . 68 PHE CB . 16764 1 808 . 1 1 68 68 PHE CD1 C 13 132.00 0.10 . 1 . . . . 68 PHE CD1 . 16764 1 809 . 1 1 68 68 PHE CD2 C 13 132.00 0.10 . 1 . . . . 68 PHE CD2 . 16764 1 810 . 1 1 68 68 PHE CE1 C 13 131.70 0.10 . 1 . . . . 68 PHE CE1 . 16764 1 811 . 1 1 68 68 PHE CE2 C 13 131.70 0.10 . 1 . . . . 68 PHE CE2 . 16764 1 812 . 1 1 68 68 PHE N N 15 123.70 0.10 . 1 . . . . 68 PHE N . 16764 1 813 . 1 1 69 69 LEU H H 1 8.47 0.05 . 1 . . . . 69 LEU H . 16764 1 814 . 1 1 69 69 LEU HA H 1 3.25 0.05 . 1 . . . . 69 LEU HA . 16764 1 815 . 1 1 69 69 LEU HB2 H 1 1.07 0.05 . 2 . . . . 69 LEU HB2 . 16764 1 816 . 1 1 69 69 LEU HB3 H 1 1.35 0.05 . 2 . . . . 69 LEU HB3 . 16764 1 817 . 1 1 69 69 LEU HD11 H 1 0.53 0.05 . 1 . . . . 69 LEU HD1 . 16764 1 818 . 1 1 69 69 LEU HD12 H 1 0.53 0.05 . 1 . . . . 69 LEU HD1 . 16764 1 819 . 1 1 69 69 LEU HD13 H 1 0.53 0.05 . 1 . . . . 69 LEU HD1 . 16764 1 820 . 1 1 69 69 LEU HD21 H 1 0.56 0.05 . 1 . . . . 69 LEU HD2 . 16764 1 821 . 1 1 69 69 LEU HD22 H 1 0.56 0.05 . 1 . . . . 69 LEU HD2 . 16764 1 822 . 1 1 69 69 LEU HD23 H 1 0.56 0.05 . 1 . . . . 69 LEU HD2 . 16764 1 823 . 1 1 69 69 LEU HG H 1 0.91 0.05 . 1 . . . . 69 LEU HG . 16764 1 824 . 1 1 69 69 LEU CA C 13 57.80 0.10 . 1 . . . . 69 LEU CA . 16764 1 825 . 1 1 69 69 LEU CB C 13 41.10 0.10 . 1 . . . . 69 LEU CB . 16764 1 826 . 1 1 69 69 LEU CD1 C 13 24.20 0.10 . 1 . . . . 69 LEU CD1 . 16764 1 827 . 1 1 69 69 LEU CD2 C 13 25.40 0.10 . 1 . . . . 69 LEU CD2 . 16764 1 828 . 1 1 69 69 LEU CG C 13 25.50 0.10 . 1 . . . . 69 LEU CG . 16764 1 829 . 1 1 69 69 LEU N N 15 119.00 0.10 . 1 . . . . 69 LEU N . 16764 1 830 . 1 1 70 70 THR H H 1 7.55 0.05 . 1 . . . . 70 THR H . 16764 1 831 . 1 1 70 70 THR HA H 1 3.69 0.05 . 1 . . . . 70 THR HA . 16764 1 832 . 1 1 70 70 THR HB H 1 4.14 0.05 . 1 . . . . 70 THR HB . 16764 1 833 . 1 1 70 70 THR HG21 H 1 1.14 0.05 . 1 . . . . 70 THR HG2 . 16764 1 834 . 1 1 70 70 THR HG22 H 1 1.14 0.05 . 1 . . . . 70 THR HG2 . 16764 1 835 . 1 1 70 70 THR HG23 H 1 1.14 0.05 . 1 . . . . 70 THR HG2 . 16764 1 836 . 1 1 70 70 THR CA C 13 66.57 0.10 . 1 . . . . 70 THR CA . 16764 1 837 . 1 1 70 70 THR CB C 13 68.10 0.10 . 1 . . . . 70 THR CB . 16764 1 838 . 1 1 70 70 THR CG2 C 13 21.70 0.10 . 1 . . . . 70 THR CG2 . 16764 1 839 . 1 1 70 70 THR N N 15 115.51 0.10 . 1 . . . . 70 THR N . 16764 1 840 . 1 1 71 71 MET H H 1 7.67 0.05 . 1 . . . . 71 MET H . 16764 1 841 . 1 1 71 71 MET HA H 1 3.64 0.05 . 1 . . . . 71 MET HA . 16764 1 842 . 1 1 71 71 MET HB2 H 1 1.97 0.05 . 2 . . . . 71 MET HB2 . 16764 1 843 . 1 1 71 71 MET HB3 H 1 1.43 0.05 . 2 . . . . 71 MET HB3 . 16764 1 844 . 1 1 71 71 MET HE1 H 1 1.65 0.05 . 1 . . . . 71 MET HE . 16764 1 845 . 1 1 71 71 MET HE2 H 1 1.65 0.05 . 1 . . . . 71 MET HE . 16764 1 846 . 1 1 71 71 MET HE3 H 1 1.65 0.05 . 1 . . . . 71 MET HE . 16764 1 847 . 1 1 71 71 MET HG2 H 1 2.02 0.05 . 2 . . . . 71 MET HG2 . 16764 1 848 . 1 1 71 71 MET HG3 H 1 2.35 0.05 . 2 . . . . 71 MET HG3 . 16764 1 849 . 1 1 71 71 MET C C 13 179.11 0.10 . 1 . . . . 71 MET C . 16764 1 850 . 1 1 71 71 MET CA C 13 59.00 0.10 . 1 . . . . 71 MET CA . 16764 1 851 . 1 1 71 71 MET CB C 13 33.60 0.10 . 1 . . . . 71 MET CB . 16764 1 852 . 1 1 71 71 MET CE C 13 17.40 0.10 . 1 . . . . 71 MET CE . 16764 1 853 . 1 1 71 71 MET CG C 13 31.60 0.10 . 1 . . . . 71 MET CG . 16764 1 854 . 1 1 71 71 MET N N 15 119.90 0.10 . 1 . . . . 71 MET N . 16764 1 855 . 1 1 72 72 MET H H 1 8.00 0.05 . 1 . . . . 72 MET H . 16764 1 856 . 1 1 72 72 MET HA H 1 3.86 0.05 . 1 . . . . 72 MET HA . 16764 1 857 . 1 1 72 72 MET HB2 H 1 1.38 0.05 . 2 . . . . 72 MET HB2 . 16764 1 858 . 1 1 72 72 MET HB3 H 1 0.92 0.05 . 2 . . . . 72 MET HB3 . 16764 1 859 . 1 1 72 72 MET HE1 H 1 1.58 0.05 . 1 . . . . 72 MET HE . 16764 1 860 . 1 1 72 72 MET HE2 H 1 1.58 0.05 . 1 . . . . 72 MET HE . 16764 1 861 . 1 1 72 72 MET HE3 H 1 1.58 0.05 . 1 . . . . 72 MET HE . 16764 1 862 . 1 1 72 72 MET HG2 H 1 1.24 0.05 . 2 . . . . 72 MET HG2 . 16764 1 863 . 1 1 72 72 MET HG3 H 1 1.24 0.05 . 2 . . . . 72 MET HG3 . 16764 1 864 . 1 1 72 72 MET CA C 13 55.92 0.10 . 1 . . . . 72 MET CA . 16764 1 865 . 1 1 72 72 MET CB C 13 33.60 0.10 . 1 . . . . 72 MET CB . 16764 1 866 . 1 1 72 72 MET CE C 13 17.73 0.10 . 1 . . . . 72 MET CE . 16764 1 867 . 1 1 72 72 MET CG C 13 32.30 0.10 . 1 . . . . 72 MET CG . 16764 1 868 . 1 1 72 72 MET N N 15 117.26 0.10 . 1 . . . . 72 MET N . 16764 1 869 . 1 1 73 73 ALA H H 1 8.18 0.05 . 1 . . . . 73 ALA H . 16764 1 870 . 1 1 73 73 ALA HA H 1 3.99 0.05 . 1 . . . . 73 ALA HA . 16764 1 871 . 1 1 73 73 ALA HB1 H 1 1.31 0.05 . 1 . . . . 73 ALA HB . 16764 1 872 . 1 1 73 73 ALA HB2 H 1 1.31 0.05 . 1 . . . . 73 ALA HB . 16764 1 873 . 1 1 73 73 ALA HB3 H 1 1.31 0.05 . 1 . . . . 73 ALA HB . 16764 1 874 . 1 1 73 73 ALA CA C 13 55.00 0.10 . 1 . . . . 73 ALA CA . 16764 1 875 . 1 1 73 73 ALA CB C 13 17.80 0.10 . 1 . . . . 73 ALA CB . 16764 1 876 . 1 1 73 73 ALA N N 15 121.90 0.10 . 1 . . . . 73 ALA N . 16764 1 877 . 1 1 74 74 ARG H H 1 7.44 0.05 . 1 . . . . 74 ARG H . 16764 1 878 . 1 1 74 74 ARG HA H 1 3.94 0.05 . 1 . . . . 74 ARG HA . 16764 1 879 . 1 1 74 74 ARG HB2 H 1 1.76 0.05 . 2 . . . . 74 ARG HB2 . 16764 1 880 . 1 1 74 74 ARG HB3 H 1 1.76 0.05 . 2 . . . . 74 ARG HB3 . 16764 1 881 . 1 1 74 74 ARG HD2 H 1 3.01 0.05 . 2 . . . . 74 ARG HD2 . 16764 1 882 . 1 1 74 74 ARG HD3 H 1 3.01 0.05 . 2 . . . . 74 ARG HD3 . 16764 1 883 . 1 1 74 74 ARG HG2 H 1 1.54 0.05 . 2 . . . . 74 ARG HG2 . 16764 1 884 . 1 1 74 74 ARG HG3 H 1 1.67 0.05 . 2 . . . . 74 ARG HG3 . 16764 1 885 . 1 1 74 74 ARG C C 13 178.64 0.10 . 1 . . . . 74 ARG C . 16764 1 886 . 1 1 74 74 ARG CA C 13 58.41 0.10 . 1 . . . . 74 ARG CA . 16764 1 887 . 1 1 74 74 ARG CB C 13 30.00 0.10 . 1 . . . . 74 ARG CB . 16764 1 888 . 1 1 74 74 ARG CD C 13 43.50 0.10 . 1 . . . . 74 ARG CD . 16764 1 889 . 1 1 74 74 ARG CG C 13 27.30 0.10 . 1 . . . . 74 ARG CG . 16764 1 890 . 1 1 74 74 ARG N N 15 117.20 0.10 . 1 . . . . 74 ARG N . 16764 1 891 . 1 1 75 75 LYS H H 1 7.79 0.05 . 1 . . . . 75 LYS H . 16764 1 892 . 1 1 75 75 LYS HA H 1 4.21 0.05 . 1 . . . . 75 LYS HA . 16764 1 893 . 1 1 75 75 LYS HB2 H 1 1.76 0.05 . 2 . . . . 75 LYS HB2 . 16764 1 894 . 1 1 75 75 LYS HB3 H 1 1.76 0.05 . 2 . . . . 75 LYS HB3 . 16764 1 895 . 1 1 75 75 LYS HD2 H 1 1.59 0.05 . 2 . . . . 75 LYS HD2 . 16764 1 896 . 1 1 75 75 LYS HD3 H 1 1.59 0.05 . 2 . . . . 75 LYS HD3 . 16764 1 897 . 1 1 75 75 LYS HE2 H 1 2.90 0.05 . 1 . . . . 75 LYS HE2 . 16764 1 898 . 1 1 75 75 LYS HE3 H 1 2.90 0.05 . 1 . . . . 75 LYS HE3 . 16764 1 899 . 1 1 75 75 LYS HG2 H 1 1.37 0.05 . 2 . . . . 75 LYS HG2 . 16764 1 900 . 1 1 75 75 LYS HG3 H 1 1.37 0.05 . 2 . . . . 75 LYS HG3 . 16764 1 901 . 1 1 75 75 LYS C C 13 179.73 0.10 . 1 . . . . 75 LYS C . 16764 1 902 . 1 1 75 75 LYS CA C 13 56.66 0.10 . 1 . . . . 75 LYS CA . 16764 1 903 . 1 1 75 75 LYS CB C 13 32.80 0.10 . 1 . . . . 75 LYS CB . 16764 1 904 . 1 1 75 75 LYS CD C 13 28.90 0.10 . 1 . . . . 75 LYS CD . 16764 1 905 . 1 1 75 75 LYS CE C 13 42.00 0.10 . 1 . . . . 75 LYS CE . 16764 1 906 . 1 1 75 75 LYS CG C 13 24.50 0.10 . 1 . . . . 75 LYS CG . 16764 1 907 . 1 1 75 75 LYS N N 15 118.60 0.10 . 1 . . . . 75 LYS N . 16764 1 908 . 1 1 76 76 MET H H 1 7.84 0.05 . 1 . . . . 76 MET H . 16764 1 909 . 1 1 76 76 MET HA H 1 4.23 0.05 . 1 . . . . 76 MET HA . 16764 1 910 . 1 1 76 76 MET HB2 H 1 2.11 0.05 . 2 . . . . 76 MET HB2 . 16764 1 911 . 1 1 76 76 MET HB3 H 1 2.00 0.05 . 2 . . . . 76 MET HB3 . 16764 1 912 . 1 1 76 76 MET HE1 H 1 2.01 0.05 . 1 . . . . 76 MET HE . 16764 1 913 . 1 1 76 76 MET HE2 H 1 2.01 0.05 . 1 . . . . 76 MET HE . 16764 1 914 . 1 1 76 76 MET HE3 H 1 2.01 0.05 . 1 . . . . 76 MET HE . 16764 1 915 . 1 1 76 76 MET HG2 H 1 2.51 0.05 . 2 . . . . 76 MET HG2 . 16764 1 916 . 1 1 76 76 MET HG3 H 1 2.62 0.05 . 2 . . . . 76 MET HG3 . 16764 1 917 . 1 1 76 76 MET C C 13 177.82 0.10 . 1 . . . . 76 MET C . 16764 1 918 . 1 1 76 76 MET CA C 13 57.40 0.10 . 1 . . . . 76 MET CA . 16764 1 919 . 1 1 76 76 MET CB C 13 33.10 0.10 . 1 . . . . 76 MET CB . 16764 1 920 . 1 1 76 76 MET CE C 13 17.05 0.10 . 1 . . . . 76 MET CE . 16764 1 921 . 1 1 76 76 MET CG C 13 32.10 0.10 . 1 . . . . 76 MET CG . 16764 1 922 . 1 1 76 76 MET N N 15 118.90 0.10 . 1 . . . . 76 MET N . 16764 1 923 . 1 1 77 77 LYS H H 1 7.76 0.05 . 1 . . . . 77 LYS H . 16764 1 924 . 1 1 77 77 LYS HA H 1 4.20 0.05 . 1 . . . . 77 LYS HA . 16764 1 925 . 1 1 77 77 LYS HB2 H 1 1.74 0.05 . 2 . . . . 77 LYS HB2 . 16764 1 926 . 1 1 77 77 LYS HB3 H 1 1.74 0.05 . 2 . . . . 77 LYS HB3 . 16764 1 927 . 1 1 77 77 LYS HD3 H 1 1.55 0.05 . 2 . . . . 77 LYS HD3 . 16764 1 928 . 1 1 77 77 LYS HE2 H 1 2.90 0.05 . 1 . . . . 77 LYS HE2 . 16764 1 929 . 1 1 77 77 LYS HE3 H 1 2.90 0.05 . 1 . . . . 77 LYS HE3 . 16764 1 930 . 1 1 77 77 LYS HG2 H 1 1.38 0.05 . 2 . . . . 77 LYS HG2 . 16764 1 931 . 1 1 77 77 LYS HG3 H 1 1.38 0.05 . 2 . . . . 77 LYS HG3 . 16764 1 932 . 1 1 77 77 LYS CA C 13 57.00 0.10 . 1 . . . . 77 LYS CA . 16764 1 933 . 1 1 77 77 LYS CB C 13 32.90 0.10 . 1 . . . . 77 LYS CB . 16764 1 934 . 1 1 77 77 LYS CD C 13 29.00 0.10 . 1 . . . . 77 LYS CD . 16764 1 935 . 1 1 77 77 LYS CE C 13 42.00 0.10 . 1 . . . . 77 LYS CE . 16764 1 936 . 1 1 77 77 LYS CG C 13 24.60 0.10 . 1 . . . . 77 LYS CG . 16764 1 937 . 1 1 77 77 LYS N N 15 120.68 0.10 . 1 . . . . 77 LYS N . 16764 1 938 . 1 1 78 78 ASP H H 1 8.22 0.05 . 1 . . . . 78 ASP H . 16764 1 939 . 1 1 78 78 ASP HA H 1 4.56 0.05 . 1 . . . . 78 ASP HA . 16764 1 940 . 1 1 78 78 ASP HB2 H 1 2.67 0.05 . 2 . . . . 78 ASP HB2 . 16764 1 941 . 1 1 78 78 ASP HB3 H 1 2.56 0.05 . 2 . . . . 78 ASP HB3 . 16764 1 942 . 1 1 78 78 ASP C C 13 176.68 0.10 . 1 . . . . 78 ASP C . 16764 1 943 . 1 1 78 78 ASP CA C 13 55.00 0.10 . 1 . . . . 78 ASP CA . 16764 1 944 . 1 1 78 78 ASP CB C 13 41.00 0.10 . 1 . . . . 78 ASP CB . 16764 1 945 . 1 1 78 78 ASP N N 15 121.80 0.10 . 1 . . . . 78 ASP N . 16764 1 946 . 1 1 79 79 THR H H 1 8.05 0.05 . 1 . . . . 79 THR H . 16764 1 947 . 1 1 79 79 THR HA H 1 4.19 0.05 . 1 . . . . 79 THR HA . 16764 1 948 . 1 1 79 79 THR HB H 1 4.17 0.05 . 1 . . . . 79 THR HB . 16764 1 949 . 1 1 79 79 THR HG21 H 1 1.11 0.05 . 1 . . . . 79 THR HG2 . 16764 1 950 . 1 1 79 79 THR HG22 H 1 1.11 0.05 . 1 . . . . 79 THR HG2 . 16764 1 951 . 1 1 79 79 THR HG23 H 1 1.11 0.05 . 1 . . . . 79 THR HG2 . 16764 1 952 . 1 1 79 79 THR CA C 13 62.50 0.10 . 1 . . . . 79 THR CA . 16764 1 953 . 1 1 79 79 THR CB C 13 69.90 0.10 . 1 . . . . 79 THR CB . 16764 1 954 . 1 1 79 79 THR CG2 C 13 21.60 0.10 . 1 . . . . 79 THR CG2 . 16764 1 955 . 1 1 79 79 THR N N 15 114.79 0.10 . 1 . . . . 79 THR N . 16764 1 956 . 1 1 80 80 ASP H H 1 8.36 0.05 . 1 . . . . 80 ASP H . 16764 1 957 . 1 1 80 80 ASP HA H 1 4.56 0.05 . 1 . . . . 80 ASP HA . 16764 1 958 . 1 1 80 80 ASP HB2 H 1 2.46 0.05 . 2 . . . . 80 ASP HB2 . 16764 1 959 . 1 1 80 80 ASP HB3 H 1 2.58 0.05 . 2 . . . . 80 ASP HB3 . 16764 1 960 . 1 1 80 80 ASP C C 13 176.76 0.10 . 1 . . . . 80 ASP C . 16764 1 961 . 1 1 80 80 ASP CA C 13 55.20 0.10 . 1 . . . . 80 ASP CA . 16764 1 962 . 1 1 80 80 ASP CB C 13 41.30 0.10 . 1 . . . . 80 ASP CB . 16764 1 963 . 1 1 80 80 ASP N N 15 123.22 0.10 . 1 . . . . 80 ASP N . 16764 1 964 . 1 1 81 81 SER H H 1 8.36 0.05 . 1 . . . . 81 SER H . 16764 1 965 . 1 1 81 81 SER HA H 1 4.33 0.05 . 1 . . . . 81 SER HA . 16764 1 966 . 1 1 81 81 SER HB2 H 1 3.86 0.05 . 2 . . . . 81 SER HB2 . 16764 1 967 . 1 1 81 81 SER HB3 H 1 3.97 0.05 . 2 . . . . 81 SER HB3 . 16764 1 968 . 1 1 81 81 SER C C 13 174.70 0.10 . 1 . . . . 81 SER C . 16764 1 969 . 1 1 81 81 SER CA C 13 59.30 0.10 . 1 . . . . 81 SER CA . 16764 1 970 . 1 1 81 81 SER CB C 13 63.80 0.10 . 1 . . . . 81 SER CB . 16764 1 971 . 1 1 81 81 SER N N 15 117.15 0.10 . 1 . . . . 81 SER N . 16764 1 972 . 1 1 82 82 GLU H H 1 8.40 0.05 . 1 . . . . 82 GLU H . 16764 1 973 . 1 1 82 82 GLU HA H 1 4.06 0.05 . 1 . . . . 82 GLU HA . 16764 1 974 . 1 1 82 82 GLU HB2 H 1 2.02 0.05 . 2 . . . . 82 GLU HB2 . 16764 1 975 . 1 1 82 82 GLU HB3 H 1 2.26 0.05 . 2 . . . . 82 GLU HB3 . 16764 1 976 . 1 1 82 82 GLU HG2 H 1 2.30 0.05 . 2 . . . . 82 GLU HG2 . 16764 1 977 . 1 1 82 82 GLU HG3 H 1 2.30 0.05 . 2 . . . . 82 GLU HG3 . 16764 1 978 . 1 1 82 82 GLU C C 13 176.84 0.10 . 1 . . . . 82 GLU C . 16764 1 979 . 1 1 82 82 GLU CA C 13 58.60 0.10 . 1 . . . . 82 GLU CA . 16764 1 980 . 1 1 82 82 GLU CB C 13 29.50 0.10 . 1 . . . . 82 GLU CB . 16764 1 981 . 1 1 82 82 GLU CG C 13 36.20 0.10 . 1 . . . . 82 GLU CG . 16764 1 982 . 1 1 82 82 GLU N N 15 122.46 0.10 . 1 . . . . 82 GLU N . 16764 1 983 . 1 1 83 83 GLU H H 1 8.23 0.05 . 1 . . . . 83 GLU H . 16764 1 984 . 1 1 83 83 GLU HA H 1 3.96 0.05 . 1 . . . . 83 GLU HA . 16764 1 985 . 1 1 83 83 GLU HB2 H 1 1.83 0.05 . 2 . . . . 83 GLU HB2 . 16764 1 986 . 1 1 83 83 GLU HB3 H 1 1.99 0.05 . 2 . . . . 83 GLU HB3 . 16764 1 987 . 1 1 83 83 GLU HG2 H 1 2.20 0.05 . 2 . . . . 83 GLU HG2 . 16764 1 988 . 1 1 83 83 GLU HG3 H 1 2.27 0.05 . 2 . . . . 83 GLU HG3 . 16764 1 989 . 1 1 83 83 GLU C C 13 175.47 0.10 . 1 . . . . 83 GLU C . 16764 1 990 . 1 1 83 83 GLU CA C 13 59.70 0.10 . 1 . . . . 83 GLU CA . 16764 1 991 . 1 1 83 83 GLU CB C 13 29.40 0.10 . 1 . . . . 83 GLU CB . 16764 1 992 . 1 1 83 83 GLU CG C 13 37.00 0.10 . 1 . . . . 83 GLU CG . 16764 1 993 . 1 1 83 83 GLU N N 15 119.50 0.10 . 1 . . . . 83 GLU N . 16764 1 994 . 1 1 84 84 GLU H H 1 8.05 0.05 . 1 . . . . 84 GLU H . 16764 1 995 . 1 1 84 84 GLU HA H 1 4.04 0.05 . 1 . . . . 84 GLU HA . 16764 1 996 . 1 1 84 84 GLU HB2 H 1 2.23 0.05 . 2 . . . . 84 GLU HB2 . 16764 1 997 . 1 1 84 84 GLU HB3 H 1 1.84 0.05 . 2 . . . . 84 GLU HB3 . 16764 1 998 . 1 1 84 84 GLU HG2 H 1 2.20 0.05 . 2 . . . . 84 GLU HG2 . 16764 1 999 . 1 1 84 84 GLU HG3 H 1 2.24 0.05 . 2 . . . . 84 GLU HG3 . 16764 1 1000 . 1 1 84 84 GLU C C 13 175.12 0.10 . 1 . . . . 84 GLU C . 16764 1 1001 . 1 1 84 84 GLU CA C 13 59.40 0.10 . 1 . . . . 84 GLU CA . 16764 1 1002 . 1 1 84 84 GLU CB C 13 30.30 0.10 . 1 . . . . 84 GLU CB . 16764 1 1003 . 1 1 84 84 GLU CG C 13 36.80 0.10 . 1 . . . . 84 GLU CG . 16764 1 1004 . 1 1 84 84 GLU N N 15 118.90 0.10 . 1 . . . . 84 GLU N . 16764 1 1005 . 1 1 85 85 ILE H H 1 7.94 0.05 . 1 . . . . 85 ILE H . 16764 1 1006 . 1 1 85 85 ILE HA H 1 3.96 0.05 . 1 . . . . 85 ILE HA . 16764 1 1007 . 1 1 85 85 ILE HB H 1 2.09 0.05 . 1 . . . . 85 ILE HB . 16764 1 1008 . 1 1 85 85 ILE HD11 H 1 0.70 0.05 . 1 . . . . 85 ILE HD1 . 16764 1 1009 . 1 1 85 85 ILE HD12 H 1 0.70 0.05 . 1 . . . . 85 ILE HD1 . 16764 1 1010 . 1 1 85 85 ILE HD13 H 1 0.70 0.05 . 1 . . . . 85 ILE HD1 . 16764 1 1011 . 1 1 85 85 ILE HG12 H 1 1.01 0.05 . 1 . . . . 85 ILE HG12 . 16764 1 1012 . 1 1 85 85 ILE HG13 H 1 1.71 0.05 . 1 . . . . 85 ILE HG13 . 16764 1 1013 . 1 1 85 85 ILE HG21 H 1 1.03 0.05 . 1 . . . . 85 ILE HG2 . 16764 1 1014 . 1 1 85 85 ILE HG22 H 1 1.03 0.05 . 1 . . . . 85 ILE HG2 . 16764 1 1015 . 1 1 85 85 ILE HG23 H 1 1.03 0.05 . 1 . . . . 85 ILE HG2 . 16764 1 1016 . 1 1 85 85 ILE C C 13 178.68 0.10 . 1 . . . . 85 ILE C . 16764 1 1017 . 1 1 85 85 ILE CA C 13 64.70 0.10 . 1 . . . . 85 ILE CA . 16764 1 1018 . 1 1 85 85 ILE CB C 13 37.30 0.10 . 1 . . . . 85 ILE CB . 16764 1 1019 . 1 1 85 85 ILE CD1 C 13 13.20 0.10 . 1 . . . . 85 ILE CD1 . 16764 1 1020 . 1 1 85 85 ILE CG1 C 13 29.20 0.10 . 1 . . . . 85 ILE CG1 . 16764 1 1021 . 1 1 85 85 ILE CG2 C 13 19.20 0.10 . 1 . . . . 85 ILE CG2 . 16764 1 1022 . 1 1 85 85 ILE N N 15 122.02 0.10 . 1 . . . . 85 ILE N . 16764 1 1023 . 1 1 86 86 ARG H H 1 8.33 0.05 . 1 . . . . 86 ARG H . 16764 1 1024 . 1 1 86 86 ARG HA H 1 4.03 0.05 . 1 . . . . 86 ARG HA . 16764 1 1025 . 1 1 86 86 ARG HB2 H 1 1.75 0.05 . 2 . . . . 86 ARG HB2 . 16764 1 1026 . 1 1 86 86 ARG HB3 H 1 1.76 0.05 . 2 . . . . 86 ARG HB3 . 16764 1 1027 . 1 1 86 86 ARG HD2 H 1 2.87 0.05 . 2 . . . . 86 ARG HD2 . 16764 1 1028 . 1 1 86 86 ARG HD3 H 1 2.86 0.05 . 2 . . . . 86 ARG HD3 . 16764 1 1029 . 1 1 86 86 ARG HG2 H 1 1.63 0.05 . 2 . . . . 86 ARG HG2 . 16764 1 1030 . 1 1 86 86 ARG HG3 H 1 1.47 0.05 . 2 . . . . 86 ARG HG3 . 16764 1 1031 . 1 1 86 86 ARG C C 13 179.65 0.10 . 1 . . . . 86 ARG C . 16764 1 1032 . 1 1 86 86 ARG CA C 13 60.00 0.10 . 1 . . . . 86 ARG CA . 16764 1 1033 . 1 1 86 86 ARG CB C 13 29.80 0.10 . 1 . . . . 86 ARG CB . 16764 1 1034 . 1 1 86 86 ARG CD C 13 43.10 0.10 . 1 . . . . 86 ARG CD . 16764 1 1035 . 1 1 86 86 ARG CG C 13 27.60 0.10 . 1 . . . . 86 ARG CG . 16764 1 1036 . 1 1 86 86 ARG N N 15 121.70 0.10 . 1 . . . . 86 ARG N . 16764 1 1037 . 1 1 87 87 GLU H H 1 8.06 0.05 . 1 . . . . 87 GLU H . 16764 1 1038 . 1 1 87 87 GLU HA H 1 4.04 0.05 . 1 . . . . 87 GLU HA . 16764 1 1039 . 1 1 87 87 GLU HB2 H 1 1.97 0.05 . 2 . . . . 87 GLU HB2 . 16764 1 1040 . 1 1 87 87 GLU HB3 H 1 2.01 0.05 . 2 . . . . 87 GLU HB3 . 16764 1 1041 . 1 1 87 87 GLU HG2 H 1 2.24 0.05 . 2 . . . . 87 GLU HG2 . 16764 1 1042 . 1 1 87 87 GLU HG3 H 1 2.24 0.05 . 2 . . . . 87 GLU HG3 . 16764 1 1043 . 1 1 87 87 GLU C C 13 177.93 0.10 . 1 . . . . 87 GLU C . 16764 1 1044 . 1 1 87 87 GLU CA C 13 59.06 0.10 . 1 . . . . 87 GLU CA . 16764 1 1045 . 1 1 87 87 GLU CB C 13 29.50 0.10 . 1 . . . . 87 GLU CB . 16764 1 1046 . 1 1 87 87 GLU CG C 13 36.50 0.10 . 1 . . . . 87 GLU CG . 16764 1 1047 . 1 1 87 87 GLU N N 15 118.50 0.10 . 1 . . . . 87 GLU N . 16764 1 1048 . 1 1 88 88 ALA H H 1 7.86 0.05 . 1 . . . . 88 ALA H . 16764 1 1049 . 1 1 88 88 ALA HA H 1 4.11 0.05 . 1 . . . . 88 ALA HA . 16764 1 1050 . 1 1 88 88 ALA HB1 H 1 1.70 0.05 . 1 . . . . 88 ALA HB . 16764 1 1051 . 1 1 88 88 ALA HB2 H 1 1.70 0.05 . 1 . . . . 88 ALA HB . 16764 1 1052 . 1 1 88 88 ALA HB3 H 1 1.70 0.05 . 1 . . . . 88 ALA HB . 16764 1 1053 . 1 1 88 88 ALA C C 13 179.34 0.10 . 1 . . . . 88 ALA C . 16764 1 1054 . 1 1 88 88 ALA CA C 13 55.10 0.10 . 1 . . . . 88 ALA CA . 16764 1 1055 . 1 1 88 88 ALA CB C 13 17.63 0.10 . 1 . . . . 88 ALA CB . 16764 1 1056 . 1 1 88 88 ALA N N 15 121.84 0.10 . 1 . . . . 88 ALA N . 16764 1 1057 . 1 1 89 89 PHE H H 1 8.44 0.05 . 1 . . . . 89 PHE H . 16764 1 1058 . 1 1 89 89 PHE HA H 1 3.04 0.05 . 1 . . . . 89 PHE HA . 16764 1 1059 . 1 1 89 89 PHE HB2 H 1 3.13 0.05 . 2 . . . . 89 PHE HB2 . 16764 1 1060 . 1 1 89 89 PHE HB3 H 1 2.90 0.05 . 2 . . . . 89 PHE HB3 . 16764 1 1061 . 1 1 89 89 PHE HD1 H 1 7.16 0.05 . 1 . . . . 89 PHE HD1 . 16764 1 1062 . 1 1 89 89 PHE HD2 H 1 7.16 0.05 . 1 . . . . 89 PHE HD2 . 16764 1 1063 . 1 1 89 89 PHE HE1 H 1 6.50 0.05 . 1 . . . . 89 PHE HE1 . 16764 1 1064 . 1 1 89 89 PHE HE2 H 1 6.50 0.05 . 1 . . . . 89 PHE HE2 . 16764 1 1065 . 1 1 89 89 PHE HZ H 1 6.90 0.05 . 1 . . . . 89 PHE HZ . 16764 1 1066 . 1 1 89 89 PHE C C 13 178.64 0.10 . 1 . . . . 89 PHE C . 16764 1 1067 . 1 1 89 89 PHE CA C 13 62.09 0.10 . 1 . . . . 89 PHE CA . 16764 1 1068 . 1 1 89 89 PHE CB C 13 39.25 0.10 . 1 . . . . 89 PHE CB . 16764 1 1069 . 1 1 89 89 PHE CD1 C 13 131.40 0.10 . 1 . . . . 89 PHE CD1 . 16764 1 1070 . 1 1 89 89 PHE CD2 C 13 131.40 0.10 . 1 . . . . 89 PHE CD2 . 16764 1 1071 . 1 1 89 89 PHE CE1 C 13 131.30 0.10 . 1 . . . . 89 PHE CE1 . 16764 1 1072 . 1 1 89 89 PHE CE2 C 13 131.30 0.10 . 1 . . . . 89 PHE CE2 . 16764 1 1073 . 1 1 89 89 PHE CZ C 13 131.50 0.10 . 1 . . . . 89 PHE CZ . 16764 1 1074 . 1 1 89 89 PHE N N 15 119.00 0.10 . 1 . . . . 89 PHE N . 16764 1 1075 . 1 1 90 90 ARG H H 1 7.63 0.05 . 1 . . . . 90 ARG H . 16764 1 1076 . 1 1 90 90 ARG HA H 1 3.77 0.05 . 1 . . . . 90 ARG HA . 16764 1 1077 . 1 1 90 90 ARG HB2 H 1 1.84 0.05 . 2 . . . . 90 ARG HB2 . 16764 1 1078 . 1 1 90 90 ARG HB3 H 1 1.84 0.05 . 2 . . . . 90 ARG HB3 . 16764 1 1079 . 1 1 90 90 ARG HD2 H 1 3.12 0.05 . 2 . . . . 90 ARG HD2 . 16764 1 1080 . 1 1 90 90 ARG HD3 H 1 3.12 0.05 . 2 . . . . 90 ARG HD3 . 16764 1 1081 . 1 1 90 90 ARG HG2 H 1 1.56 0.05 . 2 . . . . 90 ARG HG2 . 16764 1 1082 . 1 1 90 90 ARG HG3 H 1 1.56 0.05 . 2 . . . . 90 ARG HG3 . 16764 1 1083 . 1 1 90 90 ARG C C 13 179.31 0.10 . 1 . . . . 90 ARG C . 16764 1 1084 . 1 1 90 90 ARG CA C 13 58.90 0.10 . 1 . . . . 90 ARG CA . 16764 1 1085 . 1 1 90 90 ARG CB C 13 30.30 0.10 . 1 . . . . 90 ARG CB . 16764 1 1086 . 1 1 90 90 ARG CD C 13 43.53 0.10 . 1 . . . . 90 ARG CD . 16764 1 1087 . 1 1 90 90 ARG CG C 13 27.90 0.10 . 1 . . . . 90 ARG CG . 16764 1 1088 . 1 1 90 90 ARG N N 15 115.76 0.10 . 1 . . . . 90 ARG N . 16764 1 1089 . 1 1 91 91 VAL H H 1 7.38 0.05 . 1 . . . . 91 VAL H . 16764 1 1090 . 1 1 91 91 VAL HA H 1 3.37 0.05 . 1 . . . . 91 VAL HA . 16764 1 1091 . 1 1 91 91 VAL HB H 1 2.04 0.05 . 1 . . . . 91 VAL HB . 16764 1 1092 . 1 1 91 91 VAL HG11 H 1 0.91 0.05 . 1 . . . . 91 VAL HG1 . 16764 1 1093 . 1 1 91 91 VAL HG12 H 1 0.91 0.05 . 1 . . . . 91 VAL HG1 . 16764 1 1094 . 1 1 91 91 VAL HG13 H 1 0.91 0.05 . 1 . . . . 91 VAL HG1 . 16764 1 1095 . 1 1 91 91 VAL HG21 H 1 0.53 0.05 . 1 . . . . 91 VAL HG2 . 16764 1 1096 . 1 1 91 91 VAL HG22 H 1 0.53 0.05 . 1 . . . . 91 VAL HG2 . 16764 1 1097 . 1 1 91 91 VAL HG23 H 1 0.53 0.05 . 1 . . . . 91 VAL HG2 . 16764 1 1098 . 1 1 91 91 VAL C C 13 176.60 0.10 . 1 . . . . 91 VAL C . 16764 1 1099 . 1 1 91 91 VAL CA C 13 65.70 0.10 . 1 . . . . 91 VAL CA . 16764 1 1100 . 1 1 91 91 VAL CB C 13 31.50 0.10 . 1 . . . . 91 VAL CB . 16764 1 1101 . 1 1 91 91 VAL CG1 C 13 22.80 0.10 . 1 . . . . 91 VAL CG1 . 16764 1 1102 . 1 1 91 91 VAL CG2 C 13 21.00 0.10 . 1 . . . . 91 VAL CG2 . 16764 1 1103 . 1 1 91 91 VAL N N 15 118.21 0.10 . 1 . . . . 91 VAL N . 16764 1 1104 . 1 1 92 92 PHE H H 1 7.28 0.05 . 1 . . . . 92 PHE H . 16764 1 1105 . 1 1 92 92 PHE HA H 1 4.12 0.05 . 1 . . . . 92 PHE HA . 16764 1 1106 . 1 1 92 92 PHE HB2 H 1 2.58 0.05 . 2 . . . . 92 PHE HB2 . 16764 1 1107 . 1 1 92 92 PHE HB3 H 1 3.30 0.05 . 2 . . . . 92 PHE HB3 . 16764 1 1108 . 1 1 92 92 PHE HD1 H 1 7.12 0.05 . 1 . . . . 92 PHE HD1 . 16764 1 1109 . 1 1 92 92 PHE HD2 H 1 7.12 0.05 . 1 . . . . 92 PHE HD2 . 16764 1 1110 . 1 1 92 92 PHE HE1 H 1 6.95 0.05 . 1 . . . . 92 PHE HE1 . 16764 1 1111 . 1 1 92 92 PHE HE2 H 1 6.95 0.05 . 1 . . . . 92 PHE HE2 . 16764 1 1112 . 1 1 92 92 PHE HZ H 1 7.09 0.05 . 1 . . . . 92 PHE HZ . 16764 1 1113 . 1 1 92 92 PHE C C 13 178.12 0.10 . 1 . . . . 92 PHE C . 16764 1 1114 . 1 1 92 92 PHE CA C 13 60.06 0.10 . 1 . . . . 92 PHE CA . 16764 1 1115 . 1 1 92 92 PHE CB C 13 40.50 0.10 . 1 . . . . 92 PHE CB . 16764 1 1116 . 1 1 92 92 PHE CD1 C 13 130.30 0.10 . 1 . . . . 92 PHE CD1 . 16764 1 1117 . 1 1 92 92 PHE CD2 C 13 130.30 0.10 . 1 . . . . 92 PHE CD2 . 16764 1 1118 . 1 1 92 92 PHE CE1 C 13 129.50 0.10 . 1 . . . . 92 PHE CE1 . 16764 1 1119 . 1 1 92 92 PHE CE2 C 13 129.50 0.10 . 1 . . . . 92 PHE CE2 . 16764 1 1120 . 1 1 92 92 PHE CZ C 13 130.10 0.10 . 1 . . . . 92 PHE CZ . 16764 1 1121 . 1 1 92 92 PHE N N 15 116.00 0.10 . 1 . . . . 92 PHE N . 16764 1 1122 . 1 1 93 93 ASP H H 1 7.75 0.05 . 1 . . . . 93 ASP H . 16764 1 1123 . 1 1 93 93 ASP HA H 1 4.44 0.05 . 1 . . . . 93 ASP HA . 16764 1 1124 . 1 1 93 93 ASP HB2 H 1 2.20 0.05 . 2 . . . . 93 ASP HB2 . 16764 1 1125 . 1 1 93 93 ASP HB3 H 1 1.28 0.05 . 2 . . . . 93 ASP HB3 . 16764 1 1126 . 1 1 93 93 ASP C C 13 177.27 0.10 . 1 . . . . 93 ASP C . 16764 1 1127 . 1 1 93 93 ASP CA C 13 52.33 0.10 . 1 . . . . 93 ASP CA . 16764 1 1128 . 1 1 93 93 ASP CB C 13 38.40 0.10 . 1 . . . . 93 ASP CB . 16764 1 1129 . 1 1 93 93 ASP N N 15 116.80 0.10 . 1 . . . . 93 ASP N . 16764 1 1130 . 1 1 94 94 LYS H H 1 7.64 0.05 . 1 . . . . 94 LYS H . 16764 1 1131 . 1 1 94 94 LYS HA H 1 3.81 0.05 . 1 . . . . 94 LYS HA . 16764 1 1132 . 1 1 94 94 LYS HB2 H 1 1.75 0.05 . 2 . . . . 94 LYS HB2 . 16764 1 1133 . 1 1 94 94 LYS HB3 H 1 1.75 0.05 . 2 . . . . 94 LYS HB3 . 16764 1 1134 . 1 1 94 94 LYS HD2 H 1 1.53 0.05 . 2 . . . . 94 LYS HD2 . 16764 1 1135 . 1 1 94 94 LYS HD3 H 1 1.54 0.05 . 2 . . . . 94 LYS HD3 . 16764 1 1136 . 1 1 94 94 LYS HE2 H 1 2.76 0.05 . 1 . . . . 94 LYS HE2 . 16764 1 1137 . 1 1 94 94 LYS HE3 H 1 2.72 0.05 . 1 . . . . 94 LYS HE3 . 16764 1 1138 . 1 1 94 94 LYS HG2 H 1 1.43 0.05 . 2 . . . . 94 LYS HG2 . 16764 1 1139 . 1 1 94 94 LYS HG3 H 1 1.34 0.05 . 2 . . . . 94 LYS HG3 . 16764 1 1140 . 1 1 94 94 LYS C C 13 177.03 0.10 . 1 . . . . 94 LYS C . 16764 1 1141 . 1 1 94 94 LYS CA C 13 59.09 0.10 . 1 . . . . 94 LYS CA . 16764 1 1142 . 1 1 94 94 LYS CB C 13 32.60 0.10 . 1 . . . . 94 LYS CB . 16764 1 1143 . 1 1 94 94 LYS CD C 13 28.60 0.10 . 1 . . . . 94 LYS CD . 16764 1 1144 . 1 1 94 94 LYS CE C 13 41.80 0.10 . 1 . . . . 94 LYS CE . 16764 1 1145 . 1 1 94 94 LYS CG C 13 24.25 0.10 . 1 . . . . 94 LYS CG . 16764 1 1146 . 1 1 94 94 LYS N N 15 125.83 0.10 . 1 . . . . 94 LYS N . 16764 1 1147 . 1 1 95 95 ASP H H 1 8.09 0.05 . 1 . . . . 95 ASP H . 16764 1 1148 . 1 1 95 95 ASP HA H 1 4.46 0.05 . 1 . . . . 95 ASP HA . 16764 1 1149 . 1 1 95 95 ASP HB2 H 1 2.56 0.05 . 2 . . . . 95 ASP HB2 . 16764 1 1150 . 1 1 95 95 ASP HB3 H 1 2.98 0.05 . 2 . . . . 95 ASP HB3 . 16764 1 1151 . 1 1 95 95 ASP C C 13 177.55 0.10 . 1 . . . . 95 ASP C . 16764 1 1152 . 1 1 95 95 ASP CA C 13 52.70 0.10 . 1 . . . . 95 ASP CA . 16764 1 1153 . 1 1 95 95 ASP CB C 13 39.65 0.10 . 1 . . . . 95 ASP CB . 16764 1 1154 . 1 1 95 95 ASP N N 15 114.02 0.10 . 1 . . . . 95 ASP N . 16764 1 1155 . 1 1 96 96 GLY H H 1 7.69 0.05 . 1 . . . . 96 GLY H . 16764 1 1156 . 1 1 96 96 GLY HA2 H 1 3.72 0.05 . 1 . . . . 96 GLY HA2 . 16764 1 1157 . 1 1 96 96 GLY HA3 H 1 3.75 0.05 . 1 . . . . 96 GLY HA3 . 16764 1 1158 . 1 1 96 96 GLY C C 13 178.32 0.10 . 1 . . . . 96 GLY C . 16764 1 1159 . 1 1 96 96 GLY CA C 13 47.20 0.10 . 1 . . . . 96 GLY CA . 16764 1 1160 . 1 1 96 96 GLY N N 15 109.30 0.10 . 1 . . . . 96 GLY N . 16764 1 1161 . 1 1 97 97 ASN H H 1 8.23 0.05 . 1 . . . . 97 ASN H . 16764 1 1162 . 1 1 97 97 ASN HA H 1 4.54 0.05 . 1 . . . . 97 ASN HA . 16764 1 1163 . 1 1 97 97 ASN HB2 H 1 2.57 0.05 . 2 . . . . 97 ASN HB2 . 16764 1 1164 . 1 1 97 97 ASN HB3 H 1 3.31 0.05 . 2 . . . . 97 ASN HB3 . 16764 1 1165 . 1 1 97 97 ASN HD21 H 1 7.99 0.05 . 2 . . . . 97 ASN HD21 . 16764 1 1166 . 1 1 97 97 ASN HD22 H 1 7.30 0.05 . 2 . . . . 97 ASN HD22 . 16764 1 1167 . 1 1 97 97 ASN CA C 13 52.70 0.10 . 1 . . . . 97 ASN CA . 16764 1 1168 . 1 1 97 97 ASN CB C 13 38.10 0.10 . 1 . . . . 97 ASN CB . 16764 1 1169 . 1 1 97 97 ASN N N 15 119.60 0.10 . 1 . . . . 97 ASN N . 16764 1 1170 . 1 1 97 97 ASN ND2 N 15 116.40 0.10 . 1 . . . . 97 ASN ND2 . 16764 1 1171 . 1 1 98 98 GLY H H 1 10.55 0.05 . 1 . . . . 98 GLY H . 16764 1 1172 . 1 1 98 98 GLY HA2 H 1 3.32 0.05 . 1 . . . . 98 GLY HA2 . 16764 1 1173 . 1 1 98 98 GLY HA3 H 1 3.93 0.05 . 1 . . . . 98 GLY HA3 . 16764 1 1174 . 1 1 98 98 GLY C C 13 177.94 0.10 . 1 . . . . 98 GLY C . 16764 1 1175 . 1 1 98 98 GLY CA C 13 45.20 0.10 . 1 . . . . 98 GLY CA . 16764 1 1176 . 1 1 98 98 GLY N N 15 112.90 0.10 . 1 . . . . 98 GLY N . 16764 1 1177 . 1 1 99 99 TYR H H 1 7.53 0.05 . 1 . . . . 99 TYR H . 16764 1 1178 . 1 1 99 99 TYR HA H 1 4.96 0.05 . 1 . . . . 99 TYR HA . 16764 1 1179 . 1 1 99 99 TYR HB2 H 1 2.40 0.05 . 2 . . . . 99 TYR HB2 . 16764 1 1180 . 1 1 99 99 TYR HB3 H 1 2.40 0.05 . 2 . . . . 99 TYR HB3 . 16764 1 1181 . 1 1 99 99 TYR HD1 H 1 6.64 0.05 . 1 . . . . 99 TYR HD1 . 16764 1 1182 . 1 1 99 99 TYR HD2 H 1 6.64 0.05 . 1 . . . . 99 TYR HD2 . 16764 1 1183 . 1 1 99 99 TYR HE1 H 1 6.80 0.05 . 1 . . . . 99 TYR HE1 . 16764 1 1184 . 1 1 99 99 TYR HE2 H 1 6.80 0.05 . 1 . . . . 99 TYR HE2 . 16764 1 1185 . 1 1 99 99 TYR C C 13 176.13 0.10 . 1 . . . . 99 TYR C . 16764 1 1186 . 1 1 99 99 TYR CA C 13 56.00 0.10 . 1 . . . . 99 TYR CA . 16764 1 1187 . 1 1 99 99 TYR CB C 13 43.00 0.10 . 1 . . . . 99 TYR CB . 16764 1 1188 . 1 1 99 99 TYR CD1 C 13 133.40 0.10 . 1 . . . . 99 TYR CD1 . 16764 1 1189 . 1 1 99 99 TYR CD2 C 13 133.40 0.10 . 1 . . . . 99 TYR CD2 . 16764 1 1190 . 1 1 99 99 TYR CE1 C 13 118.30 0.10 . 1 . . . . 99 TYR CE1 . 16764 1 1191 . 1 1 99 99 TYR CE2 C 13 118.30 0.10 . 1 . . . . 99 TYR CE2 . 16764 1 1192 . 1 1 99 99 TYR N N 15 115.89 0.10 . 1 . . . . 99 TYR N . 16764 1 1193 . 1 1 100 100 ILE H H 1 10.04 0.05 . 1 . . . . 100 ILE H . 16764 1 1194 . 1 1 100 100 ILE HA H 1 4.68 0.05 . 1 . . . . 100 ILE HA . 16764 1 1195 . 1 1 100 100 ILE HB H 1 1.76 0.05 . 1 . . . . 100 ILE HB . 16764 1 1196 . 1 1 100 100 ILE HD11 H 1 0.23 0.05 . 1 . . . . 100 ILE HD1 . 16764 1 1197 . 1 1 100 100 ILE HD12 H 1 0.23 0.05 . 1 . . . . 100 ILE HD1 . 16764 1 1198 . 1 1 100 100 ILE HD13 H 1 0.23 0.05 . 1 . . . . 100 ILE HD1 . 16764 1 1199 . 1 1 100 100 ILE HG12 H 1 0.22 0.05 . 1 . . . . 100 ILE HG12 . 16764 1 1200 . 1 1 100 100 ILE HG13 H 1 1.12 0.05 . 1 . . . . 100 ILE HG13 . 16764 1 1201 . 1 1 100 100 ILE HG21 H 1 0.83 0.05 . 1 . . . . 100 ILE HG2 . 16764 1 1202 . 1 1 100 100 ILE HG22 H 1 0.83 0.05 . 1 . . . . 100 ILE HG2 . 16764 1 1203 . 1 1 100 100 ILE HG23 H 1 0.83 0.05 . 1 . . . . 100 ILE HG2 . 16764 1 1204 . 1 1 100 100 ILE C C 13 172.47 0.10 . 1 . . . . 100 ILE C . 16764 1 1205 . 1 1 100 100 ILE CA C 13 60.50 0.10 . 1 . . . . 100 ILE CA . 16764 1 1206 . 1 1 100 100 ILE CB C 13 38.80 0.10 . 1 . . . . 100 ILE CB . 16764 1 1207 . 1 1 100 100 ILE CD1 C 13 15.40 0.10 . 1 . . . . 100 ILE CD1 . 16764 1 1208 . 1 1 100 100 ILE CG1 C 13 27.00 0.10 . 1 . . . . 100 ILE CG1 . 16764 1 1209 . 1 1 100 100 ILE CG2 C 13 17.60 0.10 . 1 . . . . 100 ILE CG2 . 16764 1 1210 . 1 1 100 100 ILE N N 15 127.36 0.10 . 1 . . . . 100 ILE N . 16764 1 1211 . 1 1 101 101 SER H H 1 8.85 0.05 . 1 . . . . 101 SER H . 16764 1 1212 . 1 1 101 101 SER HA H 1 4.73 0.05 . 1 . . . . 101 SER HA . 16764 1 1213 . 1 1 101 101 SER HB2 H 1 4.33 0.05 . 2 . . . . 101 SER HB2 . 16764 1 1214 . 1 1 101 101 SER HB3 H 1 3.85 0.05 . 2 . . . . 101 SER HB3 . 16764 1 1215 . 1 1 101 101 SER C C 13 174.58 0.10 . 1 . . . . 101 SER C . 16764 1 1216 . 1 1 101 101 SER CA C 13 56.00 0.10 . 1 . . . . 101 SER CA . 16764 1 1217 . 1 1 101 101 SER CB C 13 66.70 0.10 . 1 . . . . 101 SER CB . 16764 1 1218 . 1 1 101 101 SER N N 15 123.70 0.10 . 1 . . . . 101 SER N . 16764 1 1219 . 1 1 102 102 ALA H H 1 9.12 0.05 . 1 . . . . 102 ALA H . 16764 1 1220 . 1 1 102 102 ALA HA H 1 3.83 0.05 . 1 . . . . 102 ALA HA . 16764 1 1221 . 1 1 102 102 ALA HB1 H 1 1.37 0.05 . 1 . . . . 102 ALA HB . 16764 1 1222 . 1 1 102 102 ALA HB2 H 1 1.37 0.05 . 1 . . . . 102 ALA HB . 16764 1 1223 . 1 1 102 102 ALA HB3 H 1 1.37 0.05 . 1 . . . . 102 ALA HB . 16764 1 1224 . 1 1 102 102 ALA C C 13 175.55 0.10 . 1 . . . . 102 ALA C . 16764 1 1225 . 1 1 102 102 ALA CA C 13 55.97 0.10 . 1 . . . . 102 ALA CA . 16764 1 1226 . 1 1 102 102 ALA CB C 13 18.00 0.10 . 1 . . . . 102 ALA CB . 16764 1 1227 . 1 1 102 102 ALA N N 15 122.87 0.10 . 1 . . . . 102 ALA N . 16764 1 1228 . 1 1 103 103 ALA H H 1 8.17 0.05 . 1 . . . . 103 ALA H . 16764 1 1229 . 1 1 103 103 ALA HA H 1 3.97 0.05 . 1 . . . . 103 ALA HA . 16764 1 1230 . 1 1 103 103 ALA HB1 H 1 1.33 0.05 . 1 . . . . 103 ALA HB . 16764 1 1231 . 1 1 103 103 ALA HB2 H 1 1.33 0.05 . 1 . . . . 103 ALA HB . 16764 1 1232 . 1 1 103 103 ALA HB3 H 1 1.33 0.05 . 1 . . . . 103 ALA HB . 16764 1 1233 . 1 1 103 103 ALA C C 13 175.24 0.10 . 1 . . . . 103 ALA C . 16764 1 1234 . 1 1 103 103 ALA CA C 13 55.28 0.10 . 1 . . . . 103 ALA CA . 16764 1 1235 . 1 1 103 103 ALA CB C 13 18.50 0.10 . 1 . . . . 103 ALA CB . 16764 1 1236 . 1 1 103 103 ALA N N 15 118.45 0.10 . 1 . . . . 103 ALA N . 16764 1 1237 . 1 1 104 104 GLU H H 1 7.80 0.05 . 1 . . . . 104 GLU H . 16764 1 1238 . 1 1 104 104 GLU HA H 1 3.94 0.05 . 1 . . . . 104 GLU HA . 16764 1 1239 . 1 1 104 104 GLU HB2 H 1 1.98 0.05 . 2 . . . . 104 GLU HB2 . 16764 1 1240 . 1 1 104 104 GLU HB3 H 1 2.23 0.05 . 2 . . . . 104 GLU HB3 . 16764 1 1241 . 1 1 104 104 GLU HG2 H 1 2.20 0.05 . 2 . . . . 104 GLU HG2 . 16764 1 1242 . 1 1 104 104 GLU HG3 H 1 2.20 0.05 . 2 . . . . 104 GLU HG3 . 16764 1 1243 . 1 1 104 104 GLU C C 13 179.34 0.10 . 1 . . . . 104 GLU C . 16764 1 1244 . 1 1 104 104 GLU CA C 13 59.30 0.10 . 1 . . . . 104 GLU CA . 16764 1 1245 . 1 1 104 104 GLU CB C 13 29.18 0.10 . 1 . . . . 104 GLU CB . 16764 1 1246 . 1 1 104 104 GLU CG C 13 36.30 0.10 . 1 . . . . 104 GLU CG . 16764 1 1247 . 1 1 104 104 GLU N N 15 120.00 0.10 . 1 . . . . 104 GLU N . 16764 1 1248 . 1 1 105 105 LEU H H 1 8.50 0.05 . 1 . . . . 105 LEU H . 16764 1 1249 . 1 1 105 105 LEU HA H 1 4.05 0.05 . 1 . . . . 105 LEU HA . 16764 1 1250 . 1 1 105 105 LEU HB2 H 1 1.83 0.05 . 2 . . . . 105 LEU HB2 . 16764 1 1251 . 1 1 105 105 LEU HB3 H 1 1.43 0.05 . 2 . . . . 105 LEU HB3 . 16764 1 1252 . 1 1 105 105 LEU HD11 H 1 0.85 0.05 . 1 . . . . 105 LEU HD1 . 16764 1 1253 . 1 1 105 105 LEU HD12 H 1 0.85 0.05 . 1 . . . . 105 LEU HD1 . 16764 1 1254 . 1 1 105 105 LEU HD13 H 1 0.85 0.05 . 1 . . . . 105 LEU HD1 . 16764 1 1255 . 1 1 105 105 LEU HD21 H 1 0.87 0.05 . 1 . . . . 105 LEU HD2 . 16764 1 1256 . 1 1 105 105 LEU HD22 H 1 0.87 0.05 . 1 . . . . 105 LEU HD2 . 16764 1 1257 . 1 1 105 105 LEU HD23 H 1 0.87 0.05 . 1 . . . . 105 LEU HD2 . 16764 1 1258 . 1 1 105 105 LEU HG H 1 1.53 0.05 . 1 . . . . 105 LEU HG . 16764 1 1259 . 1 1 105 105 LEU C C 13 181.48 0.10 . 1 . . . . 105 LEU C . 16764 1 1260 . 1 1 105 105 LEU CA C 13 58.30 0.10 . 1 . . . . 105 LEU CA . 16764 1 1261 . 1 1 105 105 LEU CB C 13 42.00 0.10 . 1 . . . . 105 LEU CB . 16764 1 1262 . 1 1 105 105 LEU CD1 C 13 26.30 0.10 . 1 . . . . 105 LEU CD1 . 16764 1 1263 . 1 1 105 105 LEU CD2 C 13 24.40 0.10 . 1 . . . . 105 LEU CD2 . 16764 1 1264 . 1 1 105 105 LEU CG C 13 26.00 0.10 . 1 . . . . 105 LEU CG . 16764 1 1265 . 1 1 105 105 LEU N N 15 121.07 0.10 . 1 . . . . 105 LEU N . 16764 1 1266 . 1 1 106 106 ARG H H 1 8.54 0.05 . 1 . . . . 106 ARG H . 16764 1 1267 . 1 1 106 106 ARG HA H 1 3.71 0.05 . 1 . . . . 106 ARG HA . 16764 1 1268 . 1 1 106 106 ARG HB2 H 1 1.86 0.05 . 2 . . . . 106 ARG HB2 . 16764 1 1269 . 1 1 106 106 ARG HB3 H 1 1.86 0.05 . 2 . . . . 106 ARG HB3 . 16764 1 1270 . 1 1 106 106 ARG HD2 H 1 3.13 0.05 . 2 . . . . 106 ARG HD2 . 16764 1 1271 . 1 1 106 106 ARG HD3 H 1 3.04 0.05 . 2 . . . . 106 ARG HD3 . 16764 1 1272 . 1 1 106 106 ARG HG2 H 1 1.53 0.05 . 2 . . . . 106 ARG HG2 . 16764 1 1273 . 1 1 106 106 ARG HG3 H 1 1.53 0.05 . 2 . . . . 106 ARG HG3 . 16764 1 1274 . 1 1 106 106 ARG C C 13 179.30 0.10 . 1 . . . . 106 ARG C . 16764 1 1275 . 1 1 106 106 ARG CA C 13 59.99 0.10 . 1 . . . . 106 ARG CA . 16764 1 1276 . 1 1 106 106 ARG CB C 13 30.20 0.10 . 1 . . . . 106 ARG CB . 16764 1 1277 . 1 1 106 106 ARG CD C 13 44.00 0.10 . 1 . . . . 106 ARG CD . 16764 1 1278 . 1 1 106 106 ARG CG C 13 27.70 0.10 . 1 . . . . 106 ARG CG . 16764 1 1279 . 1 1 106 106 ARG N N 15 117.73 0.10 . 1 . . . . 106 ARG N . 16764 1 1280 . 1 1 107 107 HIS H H 1 7.83 0.05 . 1 . . . . 107 HIS H . 16764 1 1281 . 1 1 107 107 HIS HA H 1 4.22 0.05 . 1 . . . . 107 HIS HA . 16764 1 1282 . 1 1 107 107 HIS HB2 H 1 3.25 0.05 . 2 . . . . 107 HIS HB2 . 16764 1 1283 . 1 1 107 107 HIS HB3 H 1 3.16 0.05 . 2 . . . . 107 HIS HB3 . 16764 1 1284 . 1 1 107 107 HIS HD1 H 1 6.38 0.05 . 1 . . . . 107 HIS HD1 . 16764 1 1285 . 1 1 107 107 HIS HD2 H 1 6.96 0.05 . 1 . . . . 107 HIS HD2 . 16764 1 1286 . 1 1 107 107 HIS HE1 H 1 7.69 0.05 . 1 . . . . 107 HIS HE1 . 16764 1 1287 . 1 1 107 107 HIS C C 13 177.97 0.10 . 1 . . . . 107 HIS C . 16764 1 1288 . 1 1 107 107 HIS CA C 13 59.70 0.10 . 1 . . . . 107 HIS CA . 16764 1 1289 . 1 1 107 107 HIS CB C 13 30.80 0.10 . 1 . . . . 107 HIS CB . 16764 1 1290 . 1 1 107 107 HIS CD2 C 13 120.40 0.10 . 1 . . . . 107 HIS CD2 . 16764 1 1291 . 1 1 107 107 HIS CE1 C 13 120.00 0.10 . 1 . . . . 107 HIS CE1 . 16764 1 1292 . 1 1 107 107 HIS N N 15 118.40 0.10 . 1 . . . . 107 HIS N . 16764 1 1293 . 1 1 108 108 VAL H H 1 7.88 0.05 . 1 . . . . 108 VAL H . 16764 1 1294 . 1 1 108 108 VAL HA H 1 3.40 0.05 . 1 . . . . 108 VAL HA . 16764 1 1295 . 1 1 108 108 VAL HB H 1 1.92 0.05 . 1 . . . . 108 VAL HB . 16764 1 1296 . 1 1 108 108 VAL HG11 H 1 0.35 0.05 . 1 . . . . 108 VAL HG1 . 16764 1 1297 . 1 1 108 108 VAL HG12 H 1 0.35 0.05 . 1 . . . . 108 VAL HG1 . 16764 1 1298 . 1 1 108 108 VAL HG13 H 1 0.35 0.05 . 1 . . . . 108 VAL HG1 . 16764 1 1299 . 1 1 108 108 VAL HG21 H 1 0.78 0.05 . 1 . . . . 108 VAL HG2 . 16764 1 1300 . 1 1 108 108 VAL HG22 H 1 0.78 0.05 . 1 . . . . 108 VAL HG2 . 16764 1 1301 . 1 1 108 108 VAL HG23 H 1 0.78 0.05 . 1 . . . . 108 VAL HG2 . 16764 1 1302 . 1 1 108 108 VAL CA C 13 66.30 0.10 . 1 . . . . 108 VAL CA . 16764 1 1303 . 1 1 108 108 VAL CB C 13 31.90 0.10 . 1 . . . . 108 VAL CB . 16764 1 1304 . 1 1 108 108 VAL CG1 C 13 20.80 0.10 . 1 . . . . 108 VAL CG1 . 16764 1 1305 . 1 1 108 108 VAL CG2 C 13 23.30 0.10 . 1 . . . . 108 VAL CG2 . 16764 1 1306 . 1 1 108 108 VAL N N 15 118.87 0.10 . 1 . . . . 108 VAL N . 16764 1 1307 . 1 1 109 109 MET H H 1 8.21 0.05 . 1 . . . . 109 MET H . 16764 1 1308 . 1 1 109 109 MET HA H 1 4.22 0.05 . 1 . . . . 109 MET HA . 16764 1 1309 . 1 1 109 109 MET HB2 H 1 2.10 0.05 . 2 . . . . 109 MET HB2 . 16764 1 1310 . 1 1 109 109 MET HB3 H 1 2.01 0.05 . 2 . . . . 109 MET HB3 . 16764 1 1311 . 1 1 109 109 MET HE1 H 1 1.95 0.05 . 1 . . . . 109 MET HE . 16764 1 1312 . 1 1 109 109 MET HE2 H 1 1.95 0.05 . 1 . . . . 109 MET HE . 16764 1 1313 . 1 1 109 109 MET HE3 H 1 1.95 0.05 . 1 . . . . 109 MET HE . 16764 1 1314 . 1 1 109 109 MET HG2 H 1 2.68 0.05 . 2 . . . . 109 MET HG2 . 16764 1 1315 . 1 1 109 109 MET HG3 H 1 2.52 0.05 . 2 . . . . 109 MET HG3 . 16764 1 1316 . 1 1 109 109 MET CA C 13 57.70 0.10 . 1 . . . . 109 MET CA . 16764 1 1317 . 1 1 109 109 MET CB C 13 31.10 0.10 . 1 . . . . 109 MET CB . 16764 1 1318 . 1 1 109 109 MET CE C 13 17.50 0.10 . 1 . . . . 109 MET CE . 16764 1 1319 . 1 1 109 109 MET CG C 13 33.10 0.10 . 1 . . . . 109 MET CG . 16764 1 1320 . 1 1 109 109 MET N N 15 116.22 0.10 . 1 . . . . 109 MET N . 16764 1 1321 . 1 1 110 110 THR H H 1 8.11 0.05 . 1 . . . . 110 THR H . 16764 1 1322 . 1 1 110 110 THR HA H 1 4.05 0.05 . 1 . . . . 110 THR HA . 16764 1 1323 . 1 1 110 110 THR HB H 1 4.20 0.05 . 1 . . . . 110 THR HB . 16764 1 1324 . 1 1 110 110 THR HG21 H 1 1.14 0.05 . 1 . . . . 110 THR HG2 . 16764 1 1325 . 1 1 110 110 THR HG22 H 1 1.14 0.05 . 1 . . . . 110 THR HG2 . 16764 1 1326 . 1 1 110 110 THR HG23 H 1 1.14 0.05 . 1 . . . . 110 THR HG2 . 16764 1 1327 . 1 1 110 110 THR C C 13 178.18 0.10 . 1 . . . . 110 THR C . 16764 1 1328 . 1 1 110 110 THR CA C 13 66.02 0.10 . 1 . . . . 110 THR CA . 16764 1 1329 . 1 1 110 110 THR CB C 13 68.80 0.10 . 1 . . . . 110 THR CB . 16764 1 1330 . 1 1 110 110 THR CG2 C 13 21.50 0.10 . 1 . . . . 110 THR CG2 . 16764 1 1331 . 1 1 110 110 THR N N 15 115.32 0.10 . 1 . . . . 110 THR N . 16764 1 1332 . 1 1 111 111 ASN H H 1 7.78 0.05 . 1 . . . . 111 ASN H . 16764 1 1333 . 1 1 111 111 ASN HA H 1 4.39 0.05 . 1 . . . . 111 ASN HA . 16764 1 1334 . 1 1 111 111 ASN HB2 H 1 2.69 0.05 . 2 . . . . 111 ASN HB2 . 16764 1 1335 . 1 1 111 111 ASN HB3 H 1 2.70 0.05 . 2 . . . . 111 ASN HB3 . 16764 1 1336 . 1 1 111 111 ASN HD21 H 1 6.40 0.05 . 2 . . . . 111 ASN HD21 . 16764 1 1337 . 1 1 111 111 ASN HD22 H 1 7.30 0.05 . 2 . . . . 111 ASN HD22 . 16764 1 1338 . 1 1 111 111 ASN CA C 13 55.50 0.10 . 1 . . . . 111 ASN CA . 16764 1 1339 . 1 1 111 111 ASN CB C 13 38.10 0.10 . 1 . . . . 111 ASN CB . 16764 1 1340 . 1 1 111 111 ASN N N 15 122.24 0.10 . 1 . . . . 111 ASN N . 16764 1 1341 . 1 1 111 111 ASN ND2 N 15 111.40 0.10 . 1 . . . . 111 ASN ND2 . 16764 1 1342 . 1 1 112 112 LEU H H 1 7.83 0.05 . 1 . . . . 112 LEU H . 16764 1 1343 . 1 1 112 112 LEU HA H 1 4.25 0.05 . 1 . . . . 112 LEU HA . 16764 1 1344 . 1 1 112 112 LEU HB2 H 1 1.79 0.05 . 2 . . . . 112 LEU HB2 . 16764 1 1345 . 1 1 112 112 LEU HB3 H 1 1.61 0.05 . 2 . . . . 112 LEU HB3 . 16764 1 1346 . 1 1 112 112 LEU HD11 H 1 0.72 0.05 . 1 . . . . 112 LEU HD1 . 16764 1 1347 . 1 1 112 112 LEU HD12 H 1 0.72 0.05 . 1 . . . . 112 LEU HD1 . 16764 1 1348 . 1 1 112 112 LEU HD13 H 1 0.72 0.05 . 1 . . . . 112 LEU HD1 . 16764 1 1349 . 1 1 112 112 LEU HD21 H 1 0.76 0.05 . 1 . . . . 112 LEU HD2 . 16764 1 1350 . 1 1 112 112 LEU HD22 H 1 0.76 0.05 . 1 . . . . 112 LEU HD2 . 16764 1 1351 . 1 1 112 112 LEU HD23 H 1 0.76 0.05 . 1 . . . . 112 LEU HD2 . 16764 1 1352 . 1 1 112 112 LEU HG H 1 1.70 0.05 . 1 . . . . 112 LEU HG . 16764 1 1353 . 1 1 112 112 LEU C C 13 177.74 0.10 . 1 . . . . 112 LEU C . 16764 1 1354 . 1 1 112 112 LEU CA C 13 55.36 0.10 . 1 . . . . 112 LEU CA . 16764 1 1355 . 1 1 112 112 LEU CB C 13 42.10 0.10 . 1 . . . . 112 LEU CB . 16764 1 1356 . 1 1 112 112 LEU CD1 C 13 22.70 0.10 . 1 . . . . 112 LEU CD1 . 16764 1 1357 . 1 1 112 112 LEU CD2 C 13 25.80 0.10 . 1 . . . . 112 LEU CD2 . 16764 1 1358 . 1 1 112 112 LEU CG C 13 26.60 0.10 . 1 . . . . 112 LEU CG . 16764 1 1359 . 1 1 112 112 LEU N N 15 119.16 0.10 . 1 . . . . 112 LEU N . 16764 1 1360 . 1 1 113 113 GLY H H 1 7.74 0.05 . 1 . . . . 113 GLY H . 16764 1 1361 . 1 1 113 113 GLY HA2 H 1 3.64 0.05 . 1 . . . . 113 GLY HA2 . 16764 1 1362 . 1 1 113 113 GLY HA3 H 1 4.13 0.05 . 1 . . . . 113 GLY HA3 . 16764 1 1363 . 1 1 113 113 GLY C C 13 178.72 0.10 . 1 . . . . 113 GLY C . 16764 1 1364 . 1 1 113 113 GLY CA C 13 45.50 0.10 . 1 . . . . 113 GLY CA . 16764 1 1365 . 1 1 113 113 GLY N N 15 106.48 0.10 . 1 . . . . 113 GLY N . 16764 1 1366 . 1 1 114 114 GLU H H 1 7.86 0.05 . 1 . . . . 114 GLU H . 16764 1 1367 . 1 1 114 114 GLU HA H 1 4.33 0.05 . 1 . . . . 114 GLU HA . 16764 1 1368 . 1 1 114 114 GLU HB2 H 1 1.63 0.05 . 2 . . . . 114 GLU HB2 . 16764 1 1369 . 1 1 114 114 GLU HB3 H 1 1.85 0.05 . 2 . . . . 114 GLU HB3 . 16764 1 1370 . 1 1 114 114 GLU HG2 H 1 2.00 0.05 . 2 . . . . 114 GLU HG2 . 16764 1 1371 . 1 1 114 114 GLU HG3 H 1 2.12 0.05 . 2 . . . . 114 GLU HG3 . 16764 1 1372 . 1 1 114 114 GLU C C 13 177.23 0.10 . 1 . . . . 114 GLU C . 16764 1 1373 . 1 1 114 114 GLU CA C 13 55.28 0.10 . 1 . . . . 114 GLU CA . 16764 1 1374 . 1 1 114 114 GLU CB C 13 30.62 0.10 . 1 . . . . 114 GLU CB . 16764 1 1375 . 1 1 114 114 GLU CG C 13 35.50 0.10 . 1 . . . . 114 GLU CG . 16764 1 1376 . 1 1 114 114 GLU N N 15 120.54 0.10 . 1 . . . . 114 GLU N . 16764 1 1377 . 1 1 115 115 LYS H H 1 8.48 0.05 . 1 . . . . 115 LYS H . 16764 1 1378 . 1 1 115 115 LYS HA H 1 4.28 0.05 . 1 . . . . 115 LYS HA . 16764 1 1379 . 1 1 115 115 LYS HB2 H 1 1.60 0.05 . 2 . . . . 115 LYS HB2 . 16764 1 1380 . 1 1 115 115 LYS HB3 H 1 1.68 0.05 . 2 . . . . 115 LYS HB3 . 16764 1 1381 . 1 1 115 115 LYS HD2 H 1 1.39 0.05 . 2 . . . . 115 LYS HD2 . 16764 1 1382 . 1 1 115 115 LYS HD3 H 1 1.56 0.05 . 2 . . . . 115 LYS HD3 . 16764 1 1383 . 1 1 115 115 LYS HE2 H 1 2.84 0.05 . 1 . . . . 115 LYS HE2 . 16764 1 1384 . 1 1 115 115 LYS HE3 H 1 2.88 0.05 . 1 . . . . 115 LYS HE3 . 16764 1 1385 . 1 1 115 115 LYS HG2 H 1 1.22 0.05 . 2 . . . . 115 LYS HG2 . 16764 1 1386 . 1 1 115 115 LYS HG3 H 1 1.30 0.05 . 2 . . . . 115 LYS HG3 . 16764 1 1387 . 1 1 115 115 LYS C C 13 174.38 0.10 . 1 . . . . 115 LYS C . 16764 1 1388 . 1 1 115 115 LYS CA C 13 55.70 0.10 . 1 . . . . 115 LYS CA . 16764 1 1389 . 1 1 115 115 LYS CB C 13 32.10 0.10 . 1 . . . . 115 LYS CB . 16764 1 1390 . 1 1 115 115 LYS CD C 13 29.20 0.10 . 1 . . . . 115 LYS CD . 16764 1 1391 . 1 1 115 115 LYS CE C 13 42.20 0.10 . 1 . . . . 115 LYS CE . 16764 1 1392 . 1 1 115 115 LYS CG C 13 24.60 0.10 . 1 . . . . 115 LYS CG . 16764 1 1393 . 1 1 115 115 LYS N N 15 124.13 0.10 . 1 . . . . 115 LYS N . 16764 1 1394 . 1 1 116 116 LEU H H 1 8.07 0.05 . 1 . . . . 116 LEU H . 16764 1 1395 . 1 1 116 116 LEU HA H 1 4.68 0.05 . 1 . . . . 116 LEU HA . 16764 1 1396 . 1 1 116 116 LEU HB2 H 1 1.49 0.05 . 2 . . . . 116 LEU HB2 . 16764 1 1397 . 1 1 116 116 LEU HB3 H 1 1.38 0.05 . 2 . . . . 116 LEU HB3 . 16764 1 1398 . 1 1 116 116 LEU HD11 H 1 0.70 0.05 . 1 . . . . 116 LEU HD1 . 16764 1 1399 . 1 1 116 116 LEU HD12 H 1 0.70 0.05 . 1 . . . . 116 LEU HD1 . 16764 1 1400 . 1 1 116 116 LEU HD13 H 1 0.70 0.05 . 1 . . . . 116 LEU HD1 . 16764 1 1401 . 1 1 116 116 LEU HD21 H 1 0.72 0.05 . 1 . . . . 116 LEU HD2 . 16764 1 1402 . 1 1 116 116 LEU HD22 H 1 0.72 0.05 . 1 . . . . 116 LEU HD2 . 16764 1 1403 . 1 1 116 116 LEU HD23 H 1 0.72 0.05 . 1 . . . . 116 LEU HD2 . 16764 1 1404 . 1 1 116 116 LEU HG H 1 1.47 0.05 . 1 . . . . 116 LEU HG . 16764 1 1405 . 1 1 116 116 LEU C C 13 175.43 0.10 . 1 . . . . 116 LEU C . 16764 1 1406 . 1 1 116 116 LEU CA C 13 54.00 0.10 . 1 . . . . 116 LEU CA . 16764 1 1407 . 1 1 116 116 LEU CB C 13 44.80 0.10 . 1 . . . . 116 LEU CB . 16764 1 1408 . 1 1 116 116 LEU CD1 C 13 24.00 0.10 . 1 . . . . 116 LEU CD1 . 16764 1 1409 . 1 1 116 116 LEU CD2 C 13 27.00 0.10 . 1 . . . . 116 LEU CD2 . 16764 1 1410 . 1 1 116 116 LEU CG C 13 27.60 0.10 . 1 . . . . 116 LEU CG . 16764 1 1411 . 1 1 116 116 LEU N N 15 125.02 0.10 . 1 . . . . 116 LEU N . 16764 1 1412 . 1 1 117 117 THR H H 1 9.14 0.05 . 1 . . . . 117 THR H . 16764 1 1413 . 1 1 117 117 THR HA H 1 4.35 0.05 . 1 . . . . 117 THR HA . 16764 1 1414 . 1 1 117 117 THR HB H 1 4.66 0.05 . 1 . . . . 117 THR HB . 16764 1 1415 . 1 1 117 117 THR HG21 H 1 1.24 0.05 . 1 . . . . 117 THR HG2 . 16764 1 1416 . 1 1 117 117 THR HG22 H 1 1.24 0.05 . 1 . . . . 117 THR HG2 . 16764 1 1417 . 1 1 117 117 THR HG23 H 1 1.24 0.05 . 1 . . . . 117 THR HG2 . 16764 1 1418 . 1 1 117 117 THR C C 13 175.70 0.10 . 1 . . . . 117 THR C . 16764 1 1419 . 1 1 117 117 THR CA C 13 60.74 0.10 . 1 . . . . 117 THR CA . 16764 1 1420 . 1 1 117 117 THR CB C 13 71.20 0.10 . 1 . . . . 117 THR CB . 16764 1 1421 . 1 1 117 117 THR CG2 C 13 21.80 0.10 . 1 . . . . 117 THR CG2 . 16764 1 1422 . 1 1 117 117 THR N N 15 114.59 0.10 . 1 . . . . 117 THR N . 16764 1 1423 . 1 1 118 118 ASP H H 1 8.83 0.05 . 1 . . . . 118 ASP H . 16764 1 1424 . 1 1 118 118 ASP HA H 1 4.11 0.05 . 1 . . . . 118 ASP HA . 16764 1 1425 . 1 1 118 118 ASP HB2 H 1 2.66 0.05 . 2 . . . . 118 ASP HB2 . 16764 1 1426 . 1 1 118 118 ASP HB3 H 1 2.49 0.05 . 2 . . . . 118 ASP HB3 . 16764 1 1427 . 1 1 118 118 ASP C C 13 178.09 0.10 . 1 . . . . 118 ASP C . 16764 1 1428 . 1 1 118 118 ASP CA C 13 58.10 0.10 . 1 . . . . 118 ASP CA . 16764 1 1429 . 1 1 118 118 ASP CB C 13 39.80 0.10 . 1 . . . . 118 ASP CB . 16764 1 1430 . 1 1 118 118 ASP N N 15 120.99 0.10 . 1 . . . . 118 ASP N . 16764 1 1431 . 1 1 119 119 GLU H H 1 8.57 0.05 . 1 . . . . 119 GLU H . 16764 1 1432 . 1 1 119 119 GLU HA H 1 3.96 0.05 . 1 . . . . 119 GLU HA . 16764 1 1433 . 1 1 119 119 GLU HB2 H 1 1.83 0.05 . 2 . . . . 119 GLU HB2 . 16764 1 1434 . 1 1 119 119 GLU HB3 H 1 1.96 0.05 . 2 . . . . 119 GLU HB3 . 16764 1 1435 . 1 1 119 119 GLU HG2 H 1 2.20 0.05 . 2 . . . . 119 GLU HG2 . 16764 1 1436 . 1 1 119 119 GLU HG3 H 1 2.20 0.05 . 2 . . . . 119 GLU HG3 . 16764 1 1437 . 1 1 119 119 GLU C C 13 175.51 0.10 . 1 . . . . 119 GLU C . 16764 1 1438 . 1 1 119 119 GLU CA C 13 59.80 0.10 . 1 . . . . 119 GLU CA . 16764 1 1439 . 1 1 119 119 GLU CB C 13 29.00 0.10 . 1 . . . . 119 GLU CB . 16764 1 1440 . 1 1 119 119 GLU CG C 13 36.30 0.10 . 1 . . . . 119 GLU CG . 16764 1 1441 . 1 1 119 119 GLU N N 15 119.10 0.10 . 1 . . . . 119 GLU N . 16764 1 1442 . 1 1 120 120 GLU H H 1 7.68 0.05 . 1 . . . . 120 GLU H . 16764 1 1443 . 1 1 120 120 GLU HA H 1 4.00 0.05 . 1 . . . . 120 GLU HA . 16764 1 1444 . 1 1 120 120 GLU HB2 H 1 2.33 0.05 . 2 . . . . 120 GLU HB2 . 16764 1 1445 . 1 1 120 120 GLU HB3 H 1 1.82 0.05 . 2 . . . . 120 GLU HB3 . 16764 1 1446 . 1 1 120 120 GLU HG2 H 1 2.20 0.05 . 2 . . . . 120 GLU HG2 . 16764 1 1447 . 1 1 120 120 GLU HG3 H 1 2.31 0.05 . 2 . . . . 120 GLU HG3 . 16764 1 1448 . 1 1 120 120 GLU C C 13 178.63 0.10 . 1 . . . . 120 GLU C . 16764 1 1449 . 1 1 120 120 GLU CA C 13 59.35 0.10 . 1 . . . . 120 GLU CA . 16764 1 1450 . 1 1 120 120 GLU CB C 13 30.55 0.10 . 1 . . . . 120 GLU CB . 16764 1 1451 . 1 1 120 120 GLU CG C 13 36.30 0.10 . 1 . . . . 120 GLU CG . 16764 1 1452 . 1 1 120 120 GLU N N 15 120.52 0.10 . 1 . . . . 120 GLU N . 16764 1 1453 . 1 1 121 121 VAL H H 1 8.01 0.05 . 1 . . . . 121 VAL H . 16764 1 1454 . 1 1 121 121 VAL HA H 1 3.50 0.05 . 1 . . . . 121 VAL HA . 16764 1 1455 . 1 1 121 121 VAL HB H 1 2.13 0.05 . 1 . . . . 121 VAL HB . 16764 1 1456 . 1 1 121 121 VAL HG11 H 1 0.93 0.05 . 1 . . . . 121 VAL HG1 . 16764 1 1457 . 1 1 121 121 VAL HG12 H 1 0.93 0.05 . 1 . . . . 121 VAL HG1 . 16764 1 1458 . 1 1 121 121 VAL HG13 H 1 0.93 0.05 . 1 . . . . 121 VAL HG1 . 16764 1 1459 . 1 1 121 121 VAL HG21 H 1 0.87 0.05 . 1 . . . . 121 VAL HG2 . 16764 1 1460 . 1 1 121 121 VAL HG22 H 1 0.87 0.05 . 1 . . . . 121 VAL HG2 . 16764 1 1461 . 1 1 121 121 VAL HG23 H 1 0.87 0.05 . 1 . . . . 121 VAL HG2 . 16764 1 1462 . 1 1 121 121 VAL CA C 13 67.00 0.10 . 1 . . . . 121 VAL CA . 16764 1 1463 . 1 1 121 121 VAL CB C 13 31.50 0.10 . 1 . . . . 121 VAL CB . 16764 1 1464 . 1 1 121 121 VAL CG1 C 13 22.30 0.10 . 1 . . . . 121 VAL CG1 . 16764 1 1465 . 1 1 121 121 VAL CG2 C 13 23.90 0.10 . 1 . . . . 121 VAL CG2 . 16764 1 1466 . 1 1 121 121 VAL N N 15 121.20 0.10 . 1 . . . . 121 VAL N . 16764 1 1467 . 1 1 122 122 ASP H H 1 7.96 0.05 . 1 . . . . 122 ASP H . 16764 1 1468 . 1 1 122 122 ASP HA H 1 4.23 0.05 . 1 . . . . 122 ASP HA . 16764 1 1469 . 1 1 122 122 ASP HB2 H 1 2.53 0.05 . 2 . . . . 122 ASP HB2 . 16764 1 1470 . 1 1 122 122 ASP HB3 H 1 2.67 0.05 . 2 . . . . 122 ASP HB3 . 16764 1 1471 . 1 1 122 122 ASP C C 13 180.16 0.10 . 1 . . . . 122 ASP C . 16764 1 1472 . 1 1 122 122 ASP CA C 13 57.60 0.10 . 1 . . . . 122 ASP CA . 16764 1 1473 . 1 1 122 122 ASP CB C 13 40.30 0.10 . 1 . . . . 122 ASP CB . 16764 1 1474 . 1 1 122 122 ASP N N 15 119.53 0.10 . 1 . . . . 122 ASP N . 16764 1 1475 . 1 1 123 123 GLU H H 1 7.92 0.05 . 1 . . . . 123 GLU H . 16764 1 1476 . 1 1 123 123 GLU HA H 1 3.88 0.05 . 1 . . . . 123 GLU HA . 16764 1 1477 . 1 1 123 123 GLU HB2 H 1 1.93 0.05 . 2 . . . . 123 GLU HB2 . 16764 1 1478 . 1 1 123 123 GLU HB3 H 1 2.20 0.05 . 2 . . . . 123 GLU HB3 . 16764 1 1479 . 1 1 123 123 GLU HG2 H 1 2.20 0.05 . 2 . . . . 123 GLU HG2 . 16764 1 1480 . 1 1 123 123 GLU HG3 H 1 2.20 0.05 . 2 . . . . 123 GLU HG3 . 16764 1 1481 . 1 1 123 123 GLU C C 13 177.30 0.10 . 1 . . . . 123 GLU C . 16764 1 1482 . 1 1 123 123 GLU CA C 13 59.29 0.10 . 1 . . . . 123 GLU CA . 16764 1 1483 . 1 1 123 123 GLU CB C 13 29.40 0.10 . 1 . . . . 123 GLU CB . 16764 1 1484 . 1 1 123 123 GLU CG C 13 36.20 0.10 . 1 . . . . 123 GLU CG . 16764 1 1485 . 1 1 123 123 GLU N N 15 119.47 0.10 . 1 . . . . 123 GLU N . 16764 1 1486 . 1 1 124 124 MET H H 1 7.69 0.05 . 1 . . . . 124 MET H . 16764 1 1487 . 1 1 124 124 MET HA H 1 3.96 0.05 . 1 . . . . 124 MET HA . 16764 1 1488 . 1 1 124 124 MET HB2 H 1 2.19 0.05 . 2 . . . . 124 MET HB2 . 16764 1 1489 . 1 1 124 124 MET HB3 H 1 1.96 0.05 . 2 . . . . 124 MET HB3 . 16764 1 1490 . 1 1 124 124 MET HE1 H 1 1.96 0.05 . 1 . . . . 124 MET HE . 16764 1 1491 . 1 1 124 124 MET HE2 H 1 1.96 0.05 . 1 . . . . 124 MET HE . 16764 1 1492 . 1 1 124 124 MET HE3 H 1 1.96 0.05 . 1 . . . . 124 MET HE . 16764 1 1493 . 1 1 124 124 MET HG2 H 1 2.39 0.05 . 2 . . . . 124 MET HG2 . 16764 1 1494 . 1 1 124 124 MET HG3 H 1 2.68 0.05 . 2 . . . . 124 MET HG3 . 16764 1 1495 . 1 1 124 124 MET C C 13 179.26 0.10 . 1 . . . . 124 MET C . 16764 1 1496 . 1 1 124 124 MET CA C 13 59.30 0.10 . 1 . . . . 124 MET CA . 16764 1 1497 . 1 1 124 124 MET CB C 13 33.10 0.10 . 1 . . . . 124 MET CB . 16764 1 1498 . 1 1 124 124 MET CE C 13 17.33 0.10 . 1 . . . . 124 MET CE . 16764 1 1499 . 1 1 124 124 MET CG C 13 31.60 0.10 . 1 . . . . 124 MET CG . 16764 1 1500 . 1 1 124 124 MET N N 15 119.50 0.10 . 1 . . . . 124 MET N . 16764 1 1501 . 1 1 125 125 ILE H H 1 7.83 0.05 . 1 . . . . 125 ILE H . 16764 1 1502 . 1 1 125 125 ILE HA H 1 3.40 0.05 . 1 . . . . 125 ILE HA . 16764 1 1503 . 1 1 125 125 ILE HB H 1 2.02 0.05 . 1 . . . . 125 ILE HB . 16764 1 1504 . 1 1 125 125 ILE HD11 H 1 0.61 0.05 . 1 . . . . 125 ILE HD1 . 16764 1 1505 . 1 1 125 125 ILE HD12 H 1 0.61 0.05 . 1 . . . . 125 ILE HD1 . 16764 1 1506 . 1 1 125 125 ILE HD13 H 1 0.61 0.05 . 1 . . . . 125 ILE HD1 . 16764 1 1507 . 1 1 125 125 ILE HG12 H 1 1.22 0.05 . 1 . . . . 125 ILE HG12 . 16764 1 1508 . 1 1 125 125 ILE HG13 H 1 1.43 0.05 . 1 . . . . 125 ILE HG13 . 16764 1 1509 . 1 1 125 125 ILE HG21 H 1 0.61 0.05 . 1 . . . . 125 ILE HG2 . 16764 1 1510 . 1 1 125 125 ILE HG22 H 1 0.61 0.05 . 1 . . . . 125 ILE HG2 . 16764 1 1511 . 1 1 125 125 ILE HG23 H 1 0.61 0.05 . 1 . . . . 125 ILE HG2 . 16764 1 1512 . 1 1 125 125 ILE C C 13 178.09 0.10 . 1 . . . . 125 ILE C . 16764 1 1513 . 1 1 125 125 ILE CA C 13 63.78 0.10 . 1 . . . . 125 ILE CA . 16764 1 1514 . 1 1 125 125 ILE CB C 13 36.40 0.10 . 1 . . . . 125 ILE CB . 16764 1 1515 . 1 1 125 125 ILE CD1 C 13 10.70 0.10 . 1 . . . . 125 ILE CD1 . 16764 1 1516 . 1 1 125 125 ILE CG1 C 13 28.30 0.10 . 1 . . . . 125 ILE CG1 . 16764 1 1517 . 1 1 125 125 ILE CG2 C 13 16.10 0.10 . 1 . . . . 125 ILE CG2 . 16764 1 1518 . 1 1 125 125 ILE N N 15 118.29 0.10 . 1 . . . . 125 ILE N . 16764 1 1519 . 1 1 126 126 ARG H H 1 8.13 0.05 . 1 . . . . 126 ARG H . 16764 1 1520 . 1 1 126 126 ARG HA H 1 3.89 0.05 . 1 . . . . 126 ARG HA . 16764 1 1521 . 1 1 126 126 ARG HB2 H 1 1.83 0.05 . 2 . . . . 126 ARG HB2 . 16764 1 1522 . 1 1 126 126 ARG HB3 H 1 1.75 0.05 . 2 . . . . 126 ARG HB3 . 16764 1 1523 . 1 1 126 126 ARG HD2 H 1 3.12 0.05 . 2 . . . . 126 ARG HD2 . 16764 1 1524 . 1 1 126 126 ARG HD3 H 1 3.12 0.05 . 2 . . . . 126 ARG HD3 . 16764 1 1525 . 1 1 126 126 ARG HG2 H 1 1.53 0.05 . 2 . . . . 126 ARG HG2 . 16764 1 1526 . 1 1 126 126 ARG HG3 H 1 1.67 0.05 . 2 . . . . 126 ARG HG3 . 16764 1 1527 . 1 1 126 126 ARG C C 13 179.30 0.10 . 1 . . . . 126 ARG C . 16764 1 1528 . 1 1 126 126 ARG CA C 13 59.70 0.10 . 1 . . . . 126 ARG CA . 16764 1 1529 . 1 1 126 126 ARG CB C 13 30.10 0.10 . 1 . . . . 126 ARG CB . 16764 1 1530 . 1 1 126 126 ARG CD C 13 43.43 0.10 . 1 . . . . 126 ARG CD . 16764 1 1531 . 1 1 126 126 ARG CG C 13 27.75 0.10 . 1 . . . . 126 ARG CG . 16764 1 1532 . 1 1 126 126 ARG N N 15 118.27 0.10 . 1 . . . . 126 ARG N . 16764 1 1533 . 1 1 127 127 GLU H H 1 7.78 0.05 . 1 . . . . 127 GLU H . 16764 1 1534 . 1 1 127 127 GLU HA H 1 3.88 0.05 . 1 . . . . 127 GLU HA . 16764 1 1535 . 1 1 127 127 GLU HB2 H 1 1.61 0.05 . 2 . . . . 127 GLU HB2 . 16764 1 1536 . 1 1 127 127 GLU HB3 H 1 1.94 0.05 . 2 . . . . 127 GLU HB3 . 16764 1 1537 . 1 1 127 127 GLU HG2 H 1 2.26 0.05 . 2 . . . . 127 GLU HG2 . 16764 1 1538 . 1 1 127 127 GLU HG3 H 1 2.26 0.05 . 2 . . . . 127 GLU HG3 . 16764 1 1539 . 1 1 127 127 GLU C C 13 177.23 0.10 . 1 . . . . 127 GLU C . 16764 1 1540 . 1 1 127 127 GLU CA C 13 58.63 0.10 . 1 . . . . 127 GLU CA . 16764 1 1541 . 1 1 127 127 GLU CB C 13 29.50 0.10 . 1 . . . . 127 GLU CB . 16764 1 1542 . 1 1 127 127 GLU CG C 13 36.40 0.10 . 1 . . . . 127 GLU CG . 16764 1 1543 . 1 1 127 127 GLU N N 15 116.13 0.10 . 1 . . . . 127 GLU N . 16764 1 1544 . 1 1 128 128 ALA H H 1 7.19 0.05 . 1 . . . . 128 ALA H . 16764 1 1545 . 1 1 128 128 ALA HA H 1 4.34 0.05 . 1 . . . . 128 ALA HA . 16764 1 1546 . 1 1 128 128 ALA HB1 H 1 1.33 0.05 . 1 . . . . 128 ALA HB . 16764 1 1547 . 1 1 128 128 ALA HB2 H 1 1.33 0.05 . 1 . . . . 128 ALA HB . 16764 1 1548 . 1 1 128 128 ALA HB3 H 1 1.33 0.05 . 1 . . . . 128 ALA HB . 16764 1 1549 . 1 1 128 128 ALA C C 13 179.34 0.10 . 1 . . . . 128 ALA C . 16764 1 1550 . 1 1 128 128 ALA CA C 13 52.10 0.10 . 1 . . . . 128 ALA CA . 16764 1 1551 . 1 1 128 128 ALA CB C 13 21.45 0.10 . 1 . . . . 128 ALA CB . 16764 1 1552 . 1 1 128 128 ALA N N 15 118.71 0.10 . 1 . . . . 128 ALA N . 16764 1 1553 . 1 1 129 129 ASP H H 1 7.80 0.05 . 1 . . . . 129 ASP H . 16764 1 1554 . 1 1 129 129 ASP HA H 1 4.38 0.05 . 1 . . . . 129 ASP HA . 16764 1 1555 . 1 1 129 129 ASP HB2 H 1 2.39 0.05 . 2 . . . . 129 ASP HB2 . 16764 1 1556 . 1 1 129 129 ASP HB3 H 1 2.70 0.05 . 2 . . . . 129 ASP HB3 . 16764 1 1557 . 1 1 129 129 ASP C C 13 177.31 0.10 . 1 . . . . 129 ASP C . 16764 1 1558 . 1 1 129 129 ASP CA C 13 54.12 0.10 . 1 . . . . 129 ASP CA . 16764 1 1559 . 1 1 129 129 ASP CB C 13 40.40 0.10 . 1 . . . . 129 ASP CB . 16764 1 1560 . 1 1 129 129 ASP N N 15 117.54 0.10 . 1 . . . . 129 ASP N . 16764 1 1561 . 1 1 130 130 ILE H H 1 8.22 0.05 . 1 . . . . 130 ILE H . 16764 1 1562 . 1 1 130 130 ILE HA H 1 3.79 0.05 . 1 . . . . 130 ILE HA . 16764 1 1563 . 1 1 130 130 ILE HB H 1 1.90 0.05 . 1 . . . . 130 ILE HB . 16764 1 1564 . 1 1 130 130 ILE HD11 H 1 0.79 0.05 . 1 . . . . 130 ILE HD1 . 16764 1 1565 . 1 1 130 130 ILE HD12 H 1 0.79 0.05 . 1 . . . . 130 ILE HD1 . 16764 1 1566 . 1 1 130 130 ILE HD13 H 1 0.79 0.05 . 1 . . . . 130 ILE HD1 . 16764 1 1567 . 1 1 130 130 ILE HG12 H 1 1.22 0.05 . 1 . . . . 130 ILE HG12 . 16764 1 1568 . 1 1 130 130 ILE HG13 H 1 1.59 0.05 . 1 . . . . 130 ILE HG13 . 16764 1 1569 . 1 1 130 130 ILE HG21 H 1 0.84 0.05 . 1 . . . . 130 ILE HG2 . 16764 1 1570 . 1 1 130 130 ILE HG22 H 1 0.84 0.05 . 1 . . . . 130 ILE HG2 . 16764 1 1571 . 1 1 130 130 ILE HG23 H 1 0.84 0.05 . 1 . . . . 130 ILE HG2 . 16764 1 1572 . 1 1 130 130 ILE C C 13 177.90 0.10 . 1 . . . . 130 ILE C . 16764 1 1573 . 1 1 130 130 ILE CA C 13 63.40 0.10 . 1 . . . . 130 ILE CA . 16764 1 1574 . 1 1 130 130 ILE CB C 13 38.60 0.10 . 1 . . . . 130 ILE CB . 16764 1 1575 . 1 1 130 130 ILE CD1 C 13 12.30 0.10 . 1 . . . . 130 ILE CD1 . 16764 1 1576 . 1 1 130 130 ILE CG1 C 13 28.00 0.10 . 1 . . . . 130 ILE CG1 . 16764 1 1577 . 1 1 130 130 ILE CG2 C 13 17.40 0.10 . 1 . . . . 130 ILE CG2 . 16764 1 1578 . 1 1 130 130 ILE N N 15 127.84 0.10 . 1 . . . . 130 ILE N . 16764 1 1579 . 1 1 131 131 ASP H H 1 8.22 0.05 . 1 . . . . 131 ASP H . 16764 1 1580 . 1 1 131 131 ASP HA H 1 4.44 0.05 . 1 . . . . 131 ASP HA . 16764 1 1581 . 1 1 131 131 ASP HB2 H 1 2.98 0.05 . 2 . . . . 131 ASP HB2 . 16764 1 1582 . 1 1 131 131 ASP HB3 H 1 2.55 0.05 . 2 . . . . 131 ASP HB3 . 16764 1 1583 . 1 1 131 131 ASP C C 13 176.06 0.10 . 1 . . . . 131 ASP C . 16764 1 1584 . 1 1 131 131 ASP CA C 13 53.90 0.10 . 1 . . . . 131 ASP CA . 16764 1 1585 . 1 1 131 131 ASP CB C 13 39.70 0.10 . 1 . . . . 131 ASP CB . 16764 1 1586 . 1 1 131 131 ASP N N 15 116.53 0.10 . 1 . . . . 131 ASP N . 16764 1 1587 . 1 1 132 132 GLY H H 1 7.51 0.05 . 1 . . . . 132 GLY H . 16764 1 1588 . 1 1 132 132 GLY HA2 H 1 3.88 0.05 . 1 . . . . 132 GLY HA2 . 16764 1 1589 . 1 1 132 132 GLY HA3 H 1 3.72 0.05 . 1 . . . . 132 GLY HA3 . 16764 1 1590 . 1 1 132 132 GLY C C 13 177.97 0.10 . 1 . . . . 132 GLY C . 16764 1 1591 . 1 1 132 132 GLY CA C 13 47.55 0.10 . 1 . . . . 132 GLY CA . 16764 1 1592 . 1 1 132 132 GLY N N 15 108.56 0.10 . 1 . . . . 132 GLY N . 16764 1 1593 . 1 1 133 133 ASP H H 1 8.24 0.05 . 1 . . . . 133 ASP H . 16764 1 1594 . 1 1 133 133 ASP HA H 1 4.37 0.05 . 1 . . . . 133 ASP HA . 16764 1 1595 . 1 1 133 133 ASP HB2 H 1 2.40 0.05 . 2 . . . . 133 ASP HB2 . 16764 1 1596 . 1 1 133 133 ASP HB3 H 1 2.88 0.05 . 2 . . . . 133 ASP HB3 . 16764 1 1597 . 1 1 133 133 ASP C C 13 178.32 0.10 . 1 . . . . 133 ASP C . 16764 1 1598 . 1 1 133 133 ASP CA C 13 53.80 0.10 . 1 . . . . 133 ASP CA . 16764 1 1599 . 1 1 133 133 ASP CB C 13 40.25 0.10 . 1 . . . . 133 ASP CB . 16764 1 1600 . 1 1 133 133 ASP N N 15 120.81 0.10 . 1 . . . . 133 ASP N . 16764 1 1601 . 1 1 134 134 GLY H H 1 10.27 0.05 . 1 . . . . 134 GLY H . 16764 1 1602 . 1 1 134 134 GLY HA2 H 1 3.94 0.05 . 1 . . . . 134 GLY HA2 . 16764 1 1603 . 1 1 134 134 GLY HA3 H 1 3.32 0.05 . 1 . . . . 134 GLY HA3 . 16764 1 1604 . 1 1 134 134 GLY C C 13 175.32 0.10 . 1 . . . . 134 GLY C . 16764 1 1605 . 1 1 134 134 GLY CA C 13 45.70 0.10 . 1 . . . . 134 GLY CA . 16764 1 1606 . 1 1 134 134 GLY N N 15 112.85 0.10 . 1 . . . . 134 GLY N . 16764 1 1607 . 1 1 135 135 GLN H H 1 7.86 0.05 . 1 . . . . 135 GLN H . 16764 1 1608 . 1 1 135 135 GLN HA H 1 4.77 0.05 . 1 . . . . 135 GLN HA . 16764 1 1609 . 1 1 135 135 GLN HB2 H 1 1.59 0.05 . 2 . . . . 135 GLN HB2 . 16764 1 1610 . 1 1 135 135 GLN HB3 H 1 1.87 0.05 . 2 . . . . 135 GLN HB3 . 16764 1 1611 . 1 1 135 135 GLN HE21 H 1 5.82 0.05 . 1 . . . . 135 GLN HE21 . 16764 1 1612 . 1 1 135 135 GLN HE22 H 1 6.38 0.05 . 1 . . . . 135 GLN HE22 . 16764 1 1613 . 1 1 135 135 GLN HG2 H 1 1.88 0.05 . 2 . . . . 135 GLN HG2 . 16764 1 1614 . 1 1 135 135 GLN HG3 H 1 1.82 0.05 . 2 . . . . 135 GLN HG3 . 16764 1 1615 . 1 1 135 135 GLN C C 13 177.62 0.10 . 1 . . . . 135 GLN C . 16764 1 1616 . 1 1 135 135 GLN CA C 13 53.10 0.10 . 1 . . . . 135 GLN CA . 16764 1 1617 . 1 1 135 135 GLN CB C 13 32.60 0.10 . 1 . . . . 135 GLN CB . 16764 1 1618 . 1 1 135 135 GLN CG C 13 32.80 0.10 . 1 . . . . 135 GLN CG . 16764 1 1619 . 1 1 135 135 GLN N N 15 115.39 0.10 . 1 . . . . 135 GLN N . 16764 1 1620 . 1 1 135 135 GLN NE2 N 15 108.70 0.10 . 1 . . . . 135 GLN NE2 . 16764 1 1621 . 1 1 136 136 VAL H H 1 9.02 0.05 . 1 . . . . 136 VAL H . 16764 1 1622 . 1 1 136 136 VAL HA H 1 5.11 0.05 . 1 . . . . 136 VAL HA . 16764 1 1623 . 1 1 136 136 VAL HB H 1 2.19 0.05 . 1 . . . . 136 VAL HB . 16764 1 1624 . 1 1 136 136 VAL HG11 H 1 0.82 0.05 . 1 . . . . 136 VAL HG1 . 16764 1 1625 . 1 1 136 136 VAL HG12 H 1 0.82 0.05 . 1 . . . . 136 VAL HG1 . 16764 1 1626 . 1 1 136 136 VAL HG13 H 1 0.82 0.05 . 1 . . . . 136 VAL HG1 . 16764 1 1627 . 1 1 136 136 VAL HG21 H 1 1.18 0.05 . 1 . . . . 136 VAL HG2 . 16764 1 1628 . 1 1 136 136 VAL HG22 H 1 1.18 0.05 . 1 . . . . 136 VAL HG2 . 16764 1 1629 . 1 1 136 136 VAL HG23 H 1 1.18 0.05 . 1 . . . . 136 VAL HG2 . 16764 1 1630 . 1 1 136 136 VAL C C 13 172.85 0.10 . 1 . . . . 136 VAL C . 16764 1 1631 . 1 1 136 136 VAL CA C 13 61.80 0.10 . 1 . . . . 136 VAL CA . 16764 1 1632 . 1 1 136 136 VAL CB C 13 33.90 0.10 . 1 . . . . 136 VAL CB . 16764 1 1633 . 1 1 136 136 VAL CG1 C 13 22.40 0.10 . 1 . . . . 136 VAL CG1 . 16764 1 1634 . 1 1 136 136 VAL CG2 C 13 21.80 0.10 . 1 . . . . 136 VAL CG2 . 16764 1 1635 . 1 1 136 136 VAL N N 15 125.41 0.10 . 1 . . . . 136 VAL N . 16764 1 1636 . 1 1 137 137 ASN H H 1 9.39 0.05 . 1 . . . . 137 ASN H . 16764 1 1637 . 1 1 137 137 ASN HA H 1 5.16 0.05 . 1 . . . . 137 ASN HA . 16764 1 1638 . 1 1 137 137 ASN HB2 H 1 3.15 0.05 . 2 . . . . 137 ASN HB2 . 16764 1 1639 . 1 1 137 137 ASN HB3 H 1 3.15 0.05 . 2 . . . . 137 ASN HB3 . 16764 1 1640 . 1 1 137 137 ASN HD21 H 1 6.77 0.05 . 2 . . . . 137 ASN HD21 . 16764 1 1641 . 1 1 137 137 ASN HD22 H 1 7.14 0.05 . 2 . . . . 137 ASN HD22 . 16764 1 1642 . 1 1 137 137 ASN CA C 13 51.20 0.10 . 1 . . . . 137 ASN CA . 16764 1 1643 . 1 1 137 137 ASN CB C 13 38.30 0.10 . 1 . . . . 137 ASN CB . 16764 1 1644 . 1 1 137 137 ASN N N 15 128.90 0.10 . 1 . . . . 137 ASN N . 16764 1 1645 . 1 1 137 137 ASN ND2 N 15 108.10 0.10 . 1 . . . . 137 ASN ND2 . 16764 1 1646 . 1 1 138 138 TYR H H 1 8.34 0.05 . 1 . . . . 138 TYR H . 16764 1 1647 . 1 1 138 138 TYR HA H 1 3.32 0.05 . 1 . . . . 138 TYR HA . 16764 1 1648 . 1 1 138 138 TYR HB2 H 1 1.99 0.05 . 2 . . . . 138 TYR HB2 . 16764 1 1649 . 1 1 138 138 TYR HB3 H 1 2.29 0.05 . 2 . . . . 138 TYR HB3 . 16764 1 1650 . 1 1 138 138 TYR HD1 H 1 6.17 0.05 . 1 . . . . 138 TYR HD1 . 16764 1 1651 . 1 1 138 138 TYR HD2 H 1 6.17 0.05 . 1 . . . . 138 TYR HD2 . 16764 1 1652 . 1 1 138 138 TYR HE1 H 1 6.39 0.05 . 1 . . . . 138 TYR HE1 . 16764 1 1653 . 1 1 138 138 TYR HE2 H 1 6.39 0.05 . 1 . . . . 138 TYR HE2 . 16764 1 1654 . 1 1 138 138 TYR C C 13 175.90 0.10 . 1 . . . . 138 TYR C . 16764 1 1655 . 1 1 138 138 TYR CA C 13 62.70 0.10 . 1 . . . . 138 TYR CA . 16764 1 1656 . 1 1 138 138 TYR CB C 13 37.50 0.10 . 1 . . . . 138 TYR CB . 16764 1 1657 . 1 1 138 138 TYR CD1 C 13 132.40 0.10 . 1 . . . . 138 TYR CD1 . 16764 1 1658 . 1 1 138 138 TYR CD2 C 13 132.40 0.10 . 1 . . . . 138 TYR CD2 . 16764 1 1659 . 1 1 138 138 TYR CE1 C 13 118.20 0.10 . 1 . . . . 138 TYR CE1 . 16764 1 1660 . 1 1 138 138 TYR CE2 C 13 118.20 0.10 . 1 . . . . 138 TYR CE2 . 16764 1 1661 . 1 1 138 138 TYR N N 15 118.47 0.10 . 1 . . . . 138 TYR N . 16764 1 1662 . 1 1 139 139 GLU H H 1 8.03 0.05 . 1 . . . . 139 GLU H . 16764 1 1663 . 1 1 139 139 GLU HA H 1 3.54 0.05 . 1 . . . . 139 GLU HA . 16764 1 1664 . 1 1 139 139 GLU HB2 H 1 1.96 0.05 . 2 . . . . 139 GLU HB2 . 16764 1 1665 . 1 1 139 139 GLU HB3 H 1 1.84 0.05 . 2 . . . . 139 GLU HB3 . 16764 1 1666 . 1 1 139 139 GLU HG2 H 1 2.22 0.05 . 2 . . . . 139 GLU HG2 . 16764 1 1667 . 1 1 139 139 GLU HG3 H 1 2.16 0.05 . 2 . . . . 139 GLU HG3 . 16764 1 1668 . 1 1 139 139 GLU C C 13 174.92 0.10 . 1 . . . . 139 GLU C . 16764 1 1669 . 1 1 139 139 GLU CA C 13 60.37 0.10 . 1 . . . . 139 GLU CA . 16764 1 1670 . 1 1 139 139 GLU CB C 13 28.80 0.10 . 1 . . . . 139 GLU CB . 16764 1 1671 . 1 1 139 139 GLU CG C 13 37.10 0.10 . 1 . . . . 139 GLU CG . 16764 1 1672 . 1 1 139 139 GLU N N 15 118.40 0.10 . 1 . . . . 139 GLU N . 16764 1 1673 . 1 1 140 140 GLU H H 1 8.68 0.05 . 1 . . . . 140 GLU H . 16764 1 1674 . 1 1 140 140 GLU HA H 1 3.91 0.05 . 1 . . . . 140 GLU HA . 16764 1 1675 . 1 1 140 140 GLU HB2 H 1 1.87 0.05 . 2 . . . . 140 GLU HB2 . 16764 1 1676 . 1 1 140 140 GLU HB3 H 1 1.97 0.05 . 2 . . . . 140 GLU HB3 . 16764 1 1677 . 1 1 140 140 GLU HG2 H 1 2.30 0.05 . 2 . . . . 140 GLU HG2 . 16764 1 1678 . 1 1 140 140 GLU HG3 H 1 2.30 0.05 . 2 . . . . 140 GLU HG3 . 16764 1 1679 . 1 1 140 140 GLU C C 13 176.14 0.10 . 1 . . . . 140 GLU C . 16764 1 1680 . 1 1 140 140 GLU CA C 13 58.60 0.10 . 1 . . . . 140 GLU CA . 16764 1 1681 . 1 1 140 140 GLU CB C 13 29.40 0.10 . 1 . . . . 140 GLU CB . 16764 1 1682 . 1 1 140 140 GLU CG C 13 36.80 0.10 . 1 . . . . 140 GLU CG . 16764 1 1683 . 1 1 140 140 GLU N N 15 119.87 0.10 . 1 . . . . 140 GLU N . 16764 1 1684 . 1 1 141 141 PHE H H 1 8.81 0.05 . 1 . . . . 141 PHE H . 16764 1 1685 . 1 1 141 141 PHE HA H 1 3.85 0.05 . 1 . . . . 141 PHE HA . 16764 1 1686 . 1 1 141 141 PHE HB2 H 1 3.32 0.05 . 2 . . . . 141 PHE HB2 . 16764 1 1687 . 1 1 141 141 PHE HB3 H 1 3.07 0.05 . 2 . . . . 141 PHE HB3 . 16764 1 1688 . 1 1 141 141 PHE HD1 H 1 6.85 0.05 . 1 . . . . 141 PHE HD1 . 16764 1 1689 . 1 1 141 141 PHE HD2 H 1 6.87 0.05 . 1 . . . . 141 PHE HD2 . 16764 1 1690 . 1 1 141 141 PHE HE1 H 1 6.91 0.05 . 1 . . . . 141 PHE HE1 . 16764 1 1691 . 1 1 141 141 PHE HE2 H 1 6.91 0.05 . 1 . . . . 141 PHE HE2 . 16764 1 1692 . 1 1 141 141 PHE HZ H 1 7.05 0.05 . 1 . . . . 141 PHE HZ . 16764 1 1693 . 1 1 141 141 PHE C C 13 180.63 0.10 . 1 . . . . 141 PHE C . 16764 1 1694 . 1 1 141 141 PHE CA C 13 61.84 0.10 . 1 . . . . 141 PHE CA . 16764 1 1695 . 1 1 141 141 PHE CB C 13 39.90 0.10 . 1 . . . . 141 PHE CB . 16764 1 1696 . 1 1 141 141 PHE CD1 C 13 131.90 0.10 . 1 . . . . 141 PHE CD1 . 16764 1 1697 . 1 1 141 141 PHE CD2 C 13 131.90 0.10 . 1 . . . . 141 PHE CD2 . 16764 1 1698 . 1 1 141 141 PHE CE1 C 13 131.40 0.10 . 1 . . . . 141 PHE CE1 . 16764 1 1699 . 1 1 141 141 PHE CE2 C 13 131.40 0.10 . 1 . . . . 141 PHE CE2 . 16764 1 1700 . 1 1 141 141 PHE CZ C 13 131.10 0.10 . 1 . . . . 141 PHE CZ . 16764 1 1701 . 1 1 141 141 PHE N N 15 124.67 0.10 . 1 . . . . 141 PHE N . 16764 1 1702 . 1 1 142 142 VAL H H 1 8.53 0.05 . 1 . . . . 142 VAL H . 16764 1 1703 . 1 1 142 142 VAL HA H 1 3.03 0.05 . 1 . . . . 142 VAL HA . 16764 1 1704 . 1 1 142 142 VAL HB H 1 1.76 0.05 . 1 . . . . 142 VAL HB . 16764 1 1705 . 1 1 142 142 VAL HG11 H 1 0.40 0.05 . 1 . . . . 142 VAL HG1 . 16764 1 1706 . 1 1 142 142 VAL HG12 H 1 0.40 0.05 . 1 . . . . 142 VAL HG1 . 16764 1 1707 . 1 1 142 142 VAL HG13 H 1 0.40 0.05 . 1 . . . . 142 VAL HG1 . 16764 1 1708 . 1 1 142 142 VAL HG21 H 1 0.64 0.05 . 1 . . . . 142 VAL HG2 . 16764 1 1709 . 1 1 142 142 VAL HG22 H 1 0.64 0.05 . 1 . . . . 142 VAL HG2 . 16764 1 1710 . 1 1 142 142 VAL HG23 H 1 0.64 0.05 . 1 . . . . 142 VAL HG2 . 16764 1 1711 . 1 1 142 142 VAL C C 13 179.49 0.10 . 1 . . . . 142 VAL C . 16764 1 1712 . 1 1 142 142 VAL CA C 13 67.10 0.10 . 1 . . . . 142 VAL CA . 16764 1 1713 . 1 1 142 142 VAL CB C 13 31.70 0.10 . 1 . . . . 142 VAL CB . 16764 1 1714 . 1 1 142 142 VAL CG1 C 13 23.05 0.10 . 1 . . . . 142 VAL CG1 . 16764 1 1715 . 1 1 142 142 VAL CG2 C 13 21.40 0.10 . 1 . . . . 142 VAL CG2 . 16764 1 1716 . 1 1 142 142 VAL N N 15 119.45 0.10 . 1 . . . . 142 VAL N . 16764 1 1717 . 1 1 143 143 GLN H H 1 7.38 0.05 . 1 . . . . 143 GLN H . 16764 1 1718 . 1 1 143 143 GLN HA H 1 3.78 0.05 . 1 . . . . 143 GLN HA . 16764 1 1719 . 1 1 143 143 GLN HB2 H 1 2.04 0.05 . 2 . . . . 143 GLN HB2 . 16764 1 1720 . 1 1 143 143 GLN HB3 H 1 2.04 0.05 . 2 . . . . 143 GLN HB3 . 16764 1 1721 . 1 1 143 143 GLN HE21 H 1 7.40 0.05 . 1 . . . . 143 GLN HE21 . 16764 1 1722 . 1 1 143 143 GLN HE22 H 1 6.67 0.05 . 1 . . . . 143 GLN HE22 . 16764 1 1723 . 1 1 143 143 GLN HG2 H 1 2.31 0.05 . 2 . . . . 143 GLN HG2 . 16764 1 1724 . 1 1 143 143 GLN HG3 H 1 2.31 0.05 . 2 . . . . 143 GLN HG3 . 16764 1 1725 . 1 1 143 143 GLN C C 13 176.84 0.10 . 1 . . . . 143 GLN C . 16764 1 1726 . 1 1 143 143 GLN CA C 13 58.80 0.10 . 1 . . . . 143 GLN CA . 16764 1 1727 . 1 1 143 143 GLN CB C 13 28.20 0.10 . 1 . . . . 143 GLN CB . 16764 1 1728 . 1 1 143 143 GLN CG C 13 33.90 0.10 . 1 . . . . 143 GLN CG . 16764 1 1729 . 1 1 143 143 GLN N N 15 118.20 0.10 . 1 . . . . 143 GLN N . 16764 1 1730 . 1 1 143 143 GLN NE2 N 15 111.30 0.10 . 1 . . . . 143 GLN NE2 . 16764 1 1731 . 1 1 144 144 MET H H 1 7.73 0.05 . 1 . . . . 144 MET H . 16764 1 1732 . 1 1 144 144 MET HA H 1 4.08 0.05 . 1 . . . . 144 MET HA . 16764 1 1733 . 1 1 144 144 MET HB2 H 1 1.97 0.05 . 2 . . . . 144 MET HB2 . 16764 1 1734 . 1 1 144 144 MET HB3 H 1 1.97 0.05 . 2 . . . . 144 MET HB3 . 16764 1 1735 . 1 1 144 144 MET HE1 H 1 1.81 0.05 . 1 . . . . 144 MET HE . 16764 1 1736 . 1 1 144 144 MET HE2 H 1 1.81 0.05 . 1 . . . . 144 MET HE . 16764 1 1737 . 1 1 144 144 MET HE3 H 1 1.81 0.05 . 1 . . . . 144 MET HE . 16764 1 1738 . 1 1 144 144 MET HG2 H 1 2.44 0.05 . 2 . . . . 144 MET HG2 . 16764 1 1739 . 1 1 144 144 MET HG3 H 1 2.32 0.05 . 2 . . . . 144 MET HG3 . 16764 1 1740 . 1 1 144 144 MET C C 13 179.61 0.10 . 1 . . . . 144 MET C . 16764 1 1741 . 1 1 144 144 MET CA C 13 58.20 0.10 . 1 . . . . 144 MET CA . 16764 1 1742 . 1 1 144 144 MET CB C 13 32.80 0.10 . 1 . . . . 144 MET CB . 16764 1 1743 . 1 1 144 144 MET CE C 13 17.15 0.10 . 1 . . . . 144 MET CE . 16764 1 1744 . 1 1 144 144 MET CG C 13 31.60 0.10 . 1 . . . . 144 MET CG . 16764 1 1745 . 1 1 144 144 MET N N 15 119.00 0.10 . 1 . . . . 144 MET N . 16764 1 1746 . 1 1 145 145 MET H H 1 7.79 0.05 . 1 . . . . 145 MET H . 16764 1 1747 . 1 1 145 145 MET HA H 1 4.20 0.05 . 1 . . . . 145 MET HA . 16764 1 1748 . 1 1 145 145 MET HB2 H 1 1.58 0.05 . 2 . . . . 145 MET HB2 . 16764 1 1749 . 1 1 145 145 MET HB3 H 1 1.73 0.05 . 2 . . . . 145 MET HB3 . 16764 1 1750 . 1 1 145 145 MET HE1 H 1 1.72 0.05 . 1 . . . . 145 MET HE . 16764 1 1751 . 1 1 145 145 MET HE2 H 1 1.72 0.05 . 1 . . . . 145 MET HE . 16764 1 1752 . 1 1 145 145 MET HE3 H 1 1.72 0.05 . 1 . . . . 145 MET HE . 16764 1 1753 . 1 1 145 145 MET HG2 H 1 1.76 0.05 . 2 . . . . 145 MET HG2 . 16764 1 1754 . 1 1 145 145 MET HG3 H 1 1.76 0.05 . 2 . . . . 145 MET HG3 . 16764 1 1755 . 1 1 145 145 MET C C 13 177.97 0.10 . 1 . . . . 145 MET C . 16764 1 1756 . 1 1 145 145 MET CA C 13 55.27 0.10 . 1 . . . . 145 MET CA . 16764 1 1757 . 1 1 145 145 MET CB C 13 32.82 0.10 . 1 . . . . 145 MET CB . 16764 1 1758 . 1 1 145 145 MET CE C 13 17.18 0.10 . 1 . . . . 145 MET CE . 16764 1 1759 . 1 1 145 145 MET CG C 13 32.20 0.10 . 1 . . . . 145 MET CG . 16764 1 1760 . 1 1 145 145 MET N N 15 115.00 0.10 . 1 . . . . 145 MET N . 16764 1 1761 . 1 1 146 146 THR H H 1 7.51 0.05 . 1 . . . . 146 THR H . 16764 1 1762 . 1 1 146 146 THR HA H 1 4.20 0.05 . 1 . . . . 146 THR HA . 16764 1 1763 . 1 1 146 146 THR HB H 1 4.17 0.05 . 1 . . . . 146 THR HB . 16764 1 1764 . 1 1 146 146 THR HG21 H 1 1.11 0.05 . 1 . . . . 146 THR HG2 . 16764 1 1765 . 1 1 146 146 THR HG22 H 1 1.11 0.05 . 1 . . . . 146 THR HG2 . 16764 1 1766 . 1 1 146 146 THR HG23 H 1 1.11 0.05 . 1 . . . . 146 THR HG2 . 16764 1 1767 . 1 1 146 146 THR C C 13 178.13 0.10 . 1 . . . . 146 THR C . 16764 1 1768 . 1 1 146 146 THR CA C 13 62.60 0.10 . 1 . . . . 146 THR CA . 16764 1 1769 . 1 1 146 146 THR CB C 13 70.20 0.10 . 1 . . . . 146 THR CB . 16764 1 1770 . 1 1 146 146 THR CG2 C 13 21.60 0.10 . 1 . . . . 146 THR CG2 . 16764 1 1771 . 1 1 146 146 THR N N 15 111.42 0.10 . 1 . . . . 146 THR N . 16764 1 1772 . 1 1 147 147 ALA H H 1 7.67 0.05 . 1 . . . . 147 ALA H . 16764 1 1773 . 1 1 147 147 ALA HA H 1 4.21 0.05 . 1 . . . . 147 ALA HA . 16764 1 1774 . 1 1 147 147 ALA HB1 H 1 1.32 0.05 . 1 . . . . 147 ALA HB . 16764 1 1775 . 1 1 147 147 ALA HB2 H 1 1.32 0.05 . 1 . . . . 147 ALA HB . 16764 1 1776 . 1 1 147 147 ALA HB3 H 1 1.32 0.05 . 1 . . . . 147 ALA HB . 16764 1 1777 . 1 1 147 147 ALA C C 13 177.62 0.10 . 1 . . . . 147 ALA C . 16764 1 1778 . 1 1 147 147 ALA CA C 13 52.90 0.10 . 1 . . . . 147 ALA CA . 16764 1 1779 . 1 1 147 147 ALA CB C 13 18.90 0.10 . 1 . . . . 147 ALA CB . 16764 1 1780 . 1 1 147 147 ALA N N 15 126.53 0.10 . 1 . . . . 147 ALA N . 16764 1 1781 . 1 1 148 148 LYS H H 1 7.68 0.05 . 1 . . . . 148 LYS H . 16764 1 1782 . 1 1 148 148 LYS HA H 1 4.04 0.05 . 1 . . . . 148 LYS HA . 16764 1 1783 . 1 1 148 148 LYS HB2 H 1 1.72 0.05 . 2 . . . . 148 LYS HB2 . 16764 1 1784 . 1 1 148 148 LYS HB3 H 1 1.59 0.05 . 2 . . . . 148 LYS HB3 . 16764 1 1785 . 1 1 148 148 LYS HD2 H 1 1.40 0.05 . 2 . . . . 148 LYS HD2 . 16764 1 1786 . 1 1 148 148 LYS HD3 H 1 1.56 0.05 . 2 . . . . 148 LYS HD3 . 16764 1 1787 . 1 1 148 148 LYS HE2 H 1 2.88 0.05 . 1 . . . . 148 LYS HE2 . 16764 1 1788 . 1 1 148 148 LYS HE3 H 1 2.88 0.05 . 1 . . . . 148 LYS HE3 . 16764 1 1789 . 1 1 148 148 LYS HG2 H 1 1.30 0.05 . 2 . . . . 148 LYS HG2 . 16764 1 1790 . 1 1 148 148 LYS HG3 H 1 1.30 0.05 . 2 . . . . 148 LYS HG3 . 16764 1 1791 . 1 1 148 148 LYS C C 13 174.23 0.10 . 1 . . . . 148 LYS C . 16764 1 1792 . 1 1 148 148 LYS CA C 13 57.70 0.10 . 1 . . . . 148 LYS CA . 16764 1 1793 . 1 1 148 148 LYS CB C 13 33.60 0.10 . 1 . . . . 148 LYS CB . 16764 1 1794 . 1 1 148 148 LYS CD C 13 29.10 0.10 . 1 . . . . 148 LYS CD . 16764 1 1795 . 1 1 148 148 LYS CE C 13 42.10 0.10 . 1 . . . . 148 LYS CE . 16764 1 1796 . 1 1 148 148 LYS CG C 13 24.60 0.10 . 1 . . . . 148 LYS CG . 16764 1 1797 . 1 1 148 148 LYS N N 15 125.65 0.10 . 1 . . . . 148 LYS N . 16764 1 1798 . 4 3 1 1 HAL CA C 13 53.60 0.10 . 1 . . . . 149 HAL CA . 16764 1 1799 . 4 3 1 1 HAL HA H 1 6.30 0.05 . 1 . . . . 149 HAL HA . 16764 1 1800 . 5 3 1 1 HAL CA C 13 53.60 0.10 . 1 . . . . 150 HAL CA . 16764 1 1801 . 5 3 1 1 HAL HA H 1 6.30 0.05 . 1 . . . . 150 HAL HA . 16764 1 stop_ save_