data_7089 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7089 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'Structural Study of Human Macrophage Metalloelastase (MMP-12) in its inhibitor-free state' 'Structure analysis' ; The data from the entries that make up this study are used to determine the structure of MMP-12 without inhibitor bound. ; 7089 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'Chemical Shift Assignment' 7089 1 . NMR 7089 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . 7089 'Assigned chemical shift entry' 'Virtually Complete 13C 15N and 1H chemical shift assignments' 7089 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7089 _Entry.Title ; 1H, 13C, and 15N Peak Assignments of Human Macrophage Metalloelastase, in its inhibitor-free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-26 _Entry.Accession_date 2006-04-27 _Entry.Last_release_date 2007-05-02 _Entry.Original_release_date 2007-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rajagopalan Bhaskaran . . . 7089 2 Steven VanDoren . R. . 7089 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Missouri' . 7089 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7089 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 638 7089 '15N chemical shifts' 166 7089 '1H chemical shifts' 958 7089 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 . . 2007-05-02 2006-04-26 original author . 7089 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2POJ 'BMRB Entry Tracking System' 7089 . 6391 'with inhibitor' 7089 . 6444 'with inhibitor' 7089 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7089 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16855860 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N peak assignments and secondary structure of human macrophage metalloelastase (MMP-12) in its inhibitor-free state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 1' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 55 _Citation.Page_last 55 _Citation.Year 2006 _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 Rajagopalan Bhaskaran . . . 7089 1 2 Steven VanDoren . R. . 7089 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Chemical Shifts' 7089 1 'Inhibitor-free State' 7089 1 'Matrix Metalloealstase' 7089 1 'Resonance Assignments' 7089 1 'Secondary Structure' 7089 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7089 _Assembly.ID 1 _Assembly.Name 'Metalloelastase monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 5 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 18152.7 _Assembly.Enzyme_commission_number E.3.4.24.65 _Assembly.Details 'Metalloelastase with Zinc and Calcium ions without inhibitor bound' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7089 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Metalloprotease 1 $Metalloprotease . . yes native no no 1 'Catalytic Domain' . 7089 1 2 'ZINC (II) ION, 1' 2 $ZN . . no native no no 2 . . 7089 1 3 'ZINC (II) ION, 2' 2 $ZN . . no native no no 2 . . 7089 1 4 'CALCIUM (II) ION, 1' 3 $CA . . no native no no 3 . . 7089 1 5 'CALCIUM (II) ION, 2' 3 $CA . . no native no no 3 . . 7089 1 6 'CALCIUM (II) ION, 3' 3 $CA . . no native no no 3 . . 7089 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'degrades elastin and alpha1-antitrypsin' 7089 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Metalloprotease _Entity.Sf_category entity _Entity.Sf_framecode Metalloprotease _Entity.Entry_ID 7089 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MMP-12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details '164 amino acid polypeptide' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FREMPGGPVWRKHYITYRIN NYTPDMNREDVDYAIRKAFQ VWSNVTPLKFSKINTGMADI LVVFARGAHGDFHAFDGKGG ILAHAFGPGSGIGGDAHFDE DEFWTTHSGGTNLFLTAVHA IGHSLGLGHSSDPKAVMFPT YKYVDINTFRLSADDIRGIQ SLYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The N-terminal starts with PHE with the residue number being 100 and ends at the C-terminal with GLY-263' _Entity.Polymer_author_seq_details 'The residue's author sequnce code corresponds to the original publication of the full-length protein sequence' _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18152.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 15578 . FL_MMP12 . . . . . 96.34 366 99.37 99.37 1.89e-107 . . . . 7089 1 2 no BMRB 6391 . mmp12 . . . . . 100.00 165 99.39 99.39 2.67e-115 . . . . 7089 1 3 no BMRB 6444 . MMP12 . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 4 no BMRB 7415 . CAT_DOMAIN . . . . . 96.34 159 99.37 99.37 3.39e-110 . . . . 7089 1 5 no PDB 1JIZ . "Crystal Structure Analysis Of Human Macrophage Elastase Mmp- 12" . . . . . 100.00 166 99.39 99.39 3.79e-115 . . . . 7089 1 6 no PDB 1JK3 . "Crystal Structure Of Human Mmp-12 (Macrophage Elastase) At True Atomic Resolution" . . . . . 96.34 158 100.00 100.00 8.45e-111 . . . . 7089 1 7 no PDB 1OS2 . "Ternary Enzyme-Product-Inhibitor Complexes Of Human Mmp12" . . . . . 96.34 165 98.73 98.73 8.58e-109 . . . . 7089 1 8 no PDB 1OS9 . "Binary Enzyme-Product Complexes Of Human Mmp12" . . . . . 96.34 165 98.73 98.73 8.58e-109 . . . . 7089 1 9 no PDB 1RMZ . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor Nngh At 1.3 A Resolution" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 10 no PDB 1ROS . "Crystal Structure Of Mmp-12 Complexed To 2-(1,3-Dioxo-1,3- Dihydro-2h-Isoindol-2-Yl)ethyl-4-(4-Ethoxy[1,1-Biphenyl]-4- Yl)-4-Ox" . . . . . 96.34 163 99.37 99.37 4.68e-110 . . . . 7089 1 11 no PDB 1UTT . "Crystal Structure Of Mmp-12 Complexed To 2- (1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)ethyl-4- (4-Ethoxy[1,1-Biphenyl]-4-Yl)-4-Ox" . . . . . 96.34 159 99.37 99.37 4.50e-110 . . . . 7089 1 12 no PDB 1UTZ . "Crystal Structure Of Mmp-12 Complexed To (2r)-3-({[4-[(Pyri Din-4-Yl)phenyl]-Thien-2-Yl}carboxamido)(Phenyl)propanoic Acid" . . . . . 96.34 159 99.37 99.37 4.50e-110 . . . . 7089 1 13 no PDB 1Y93 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With Acetohydroxamic Acid At Atomic Resolution" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 14 no PDB 1YCM . "Solution Structure Of Matrix Metalloproteinase 12 (Mmp12) In The Presence Of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]glycyl Hydr" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 15 no PDB 1Z3J . "Solution Structure Of Mmp12 In The Presence Of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]glycyl Hydroxamic Acid (Nngh)" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 16 no PDB 2HU6 . "Crystal Structure Of Human Mmp-12 In Complex With Acetohydroxamic Acid And A Bicyclic Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 17 no PDB 2K2G . "Solution Structure Of The Wild-Type Catalytic Domain Of Human Matrix Metalloproteinase 12 (Mmp-12) In Complex With A Tight-Bind" . . . . . 100.00 165 99.39 99.39 2.67e-115 . . . . 7089 1 18 no PDB 2K9C . "Paramagnetic Shifts In Solid-State Nmr Of Proteins To Elicit Structural Information" . . . . . 92.68 152 98.68 98.68 2.01e-103 . . . . 7089 1 19 no PDB 2KRJ . "High-Resolution Solid-State Nmr Structure Of A 17.6 Kda Prot" . . . . . 92.68 152 98.68 98.68 2.01e-103 . . . . 7089 1 20 no PDB 2MLR . "Membrane Bilayer Complex With Matrix Metalloproteinase-12 At Its Alpha-face" . . . . . 100.00 164 100.00 100.00 6.87e-116 . . . . 7089 1 21 no PDB 2MLS . "Membrane Bilayer Complex With Matrix Metalloproteinase-12 At Its Beta- Face" . . . . . 100.00 164 100.00 100.00 6.87e-116 . . . . 7089 1 22 no PDB 2OXU . "Uninhibited Form Of Human Mmp-12" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 23 no PDB 2OXW . "Human Mmp-12 Complexed With The Peptide Iag" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 24 no PDB 2OXZ . "Human Mmp-12 In Complex With Two Peptides Pqg And Iag" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 25 no PDB 2POJ . "Nmr Solution Structure Of The Inhibitor-Free State Of Macrophage Metalloelastase (Mmp-12)" . . . . . 100.00 164 100.00 100.00 6.87e-116 . . . . 7089 1 26 no PDB 2W0D . "Does A Fast Nuclear Magnetic Resonance Spectroscopy- And X-Ray Crystallography Hybrid Approach Provide Reliable Structural Info" . . . . . 96.34 164 100.00 100.00 2.16e-110 . . . . 7089 1 27 no PDB 2WO8 . "Mmp12 Complex With A Beta Hydroxy Carboxylic Acid" . . . . . 96.34 164 99.37 99.37 4.63e-110 . . . . 7089 1 28 no PDB 2WO9 . "Mmp12 Complex With A Beta Hydroxy Carboxylic Acid" . . . . . 96.34 164 99.37 99.37 4.63e-110 . . . . 7089 1 29 no PDB 2WOA . "Mmp12 Complex With A Beta Hydroxy Carboxylic Acid" . . . . . 96.34 164 99.37 99.37 4.63e-110 . . . . 7089 1 30 no PDB 2Z2D . "Solution Structure Of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed With A Gamma-Keto Butanoic Acid Inhibitor" . . . . . 100.00 164 99.39 99.39 2.81e-115 . . . . 7089 1 31 no PDB 3BA0 . "Crystal Structure Of Full-Length Human Mmp-12" . . . . . 96.34 365 98.73 98.73 6.47e-107 . . . . 7089 1 32 no PDB 3EHX . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor (R)-2-(Biphenyl-4- Ylsulfonamido)-4-Methy" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 33 no PDB 3EHY . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)propan" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 34 no PDB 3F15 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor (S)-N-(2,3-Dihydroxypropyl)-4- Methoxy-N-" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 35 no PDB 3F16 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor (R)-N-(3-Hydroxy-1-Nitroso-1- Oxopropan-2" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 36 no PDB 3F17 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor N-(2-Nitroso-2-Oxoethyl) Biphenyl-4-Sulfo" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 37 no PDB 3F18 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor 4-Fluoro-N-(2-Hydroxyethyl)-N- (2-Nitroso" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 38 no PDB 3F19 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor 4-Fluoro-N-(2-Nitroso-2- Oxoethyl)benzene" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 39 no PDB 3F1A . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor N-(2-Nitroso-2-Oxoethyl) Benzenesulfonami" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 40 no PDB 3LIK . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 41 no PDB 3LIL . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 42 no PDB 3LIR . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 43 no PDB 3LJG . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 44 no PDB 3LK8 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 45 no PDB 3LKA . "Catalytic Domain Of Human Mmp-12 Complexed With Hydroxamic Acid And Paramethoxy-Sulfonyl Amide" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 46 no PDB 3N2U . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor N-Hydroxy-2-(4-Methoxy-N(2-(3,4,5-Trihydr" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 47 no PDB 3N2V . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor N-Hydroxy-2-(N-Hydroxyethyl)biphenyl-4- Y" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 48 no PDB 3NX7 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor N-Hydroxy-2-(N-(2-Hydroxyethyl)4- Methoxy" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 49 no PDB 3RTS . "Human Mmp-12 Catalytic Domain In Complex WithN-Hydroxy-2-(2- Phenylethylsulfonamido)acetamide" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 50 no PDB 3RTT . "Human Mmp-12 Catalytic Domain In Complex With(R)-N-Hydroxy-1- (Phenethylsulfonyl)pyrrolidine-2-Carboxamide" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 51 no PDB 3TS4 . "Human Mmp12 In Complex With L-Glutamate Motif Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 52 no PDB 3TSK . "Human Mmp12 In Complex With L-Glutamate Motif Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 53 no PDB 3UVC . "Mmp12 In A Complex With The Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin" . . . . . 96.34 164 100.00 100.00 2.16e-110 . . . . 7089 1 54 no PDB 4EFS . "Human Mmp12 In Complex With L-Glutamate Motif Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 55 no PDB 4GQL . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470.1" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 56 no PDB 4GR0 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470b" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 57 no PDB 4GR3 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470a" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 58 no PDB 4GR8 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470c" . . . . . 92.68 152 98.68 98.68 1.51e-103 . . . . 7089 1 59 no PDB 4GUY . "Human Mmp12 Catalytic Domain In Complex WithN-Hydroxy-2-(2-(4- Methoxyphenyl)ethylsulfonamido)acetamide" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 60 no PDB 4H30 . "Crystal Structure Of The Catalytic Domain Of Mmp-12 In Complex With A Twin Inhibitor." . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 61 no PDB 4H49 . "Crystal Structure Of The Catalytic Domain Of Mmp-12 In Complex With A Twin Inhibitor." . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 62 no PDB 4H76 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With A Broad Spectrum Hydroxamate Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 63 no PDB 4H84 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With A Selective Carboxylate Based Inhibitor" . . . . . 96.34 159 98.73 98.73 9.39e-109 . . . . 7089 1 64 no PDB 4I03 . "Human Mmp12 In Complex With A Peg-linked Bifunctional L-glutamate Motif Inhibitor" . . . . . 96.34 159 99.37 99.37 1.67e-109 . . . . 7089 1 65 no PDB 4IJO . "Unraveling Hidden Allosteric Regulatory Sites In Structurally Homologues Metalloproteases" . . . . . 96.34 158 98.73 98.73 1.12e-108 . . . . 7089 1 66 no DBJ BAG36675 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 67 no DBJ BAJ20684 . "matrix metallopeptidase 12 [synthetic construct]" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 68 no GB AAA58658 . "metalloproteinase [Homo sapiens]" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 69 no GB AAI12302 . "Matrix metalloproteinase 12, preproprotein [Homo sapiens]" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 70 no GB AAI43774 . "Matrix metallopeptidase 12 (macrophage elastase) [Homo sapiens]" . . . . . 100.00 470 99.39 99.39 3.78e-113 . . . . 7089 1 71 no GB AAW29944 . "matrix metalloproteinase 12 (macrophage elastase) [Homo sapiens]" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 72 no GB ADR83017 . "matrix metallopeptidase 12 (macrophage elastase) [synthetic construct]" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 73 no REF NP_002417 . "macrophage metalloelastase preproprotein [Homo sapiens]" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 74 no REF XP_003828422 . "PREDICTED: macrophage metalloelastase [Pan paniscus]" . . . . . 100.00 470 99.39 99.39 3.14e-113 . . . . 7089 1 75 no REF XP_004052087 . "PREDICTED: macrophage metalloelastase [Gorilla gorilla gorilla]" . . . . . 100.00 470 99.39 99.39 3.74e-113 . . . . 7089 1 76 no REF XP_508724 . "PREDICTED: macrophage metalloelastase [Pan troglodytes]" . . . . . 100.00 470 99.39 99.39 3.14e-113 . . . . 7089 1 77 no SP P39900 . "RecName: Full=Macrophage metalloelastase; Short=MME; AltName: Full=Macrophage elastase; Short=ME; Short=hME; AltName: Full=Matr" . . . . . 100.00 470 99.39 99.39 4.03e-113 . . . . 7089 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Protease- Degrades Elastin and alpha1-antitrypsin' 7089 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MMP-12 . 7089 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID MMP-12 7089 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 1 100 PHE . 7089 1 2 101 ARG . 7089 1 3 102 GLU . 7089 1 4 103 MET . 7089 1 5 104 PRO . 7089 1 6 105 GLY . 7089 1 7 106 GLY . 7089 1 8 107 PRO . 7089 1 9 108 VAL . 7089 1 10 109 TRP . 7089 1 11 110 ARG . 7089 1 12 111 LYS . 7089 1 13 112 HIS . 7089 1 14 113 TYR . 7089 1 15 114 ILE . 7089 1 16 115 THR . 7089 1 17 116 TYR . 7089 1 18 117 ARG . 7089 1 19 118 ILE . 7089 1 20 119 ASN . 7089 1 21 120 ASN . 7089 1 22 121 TYR . 7089 1 23 122 THR . 7089 1 24 123 PRO . 7089 1 25 124 ASP . 7089 1 26 125 MET . 7089 1 27 126 ASN . 7089 1 28 127 ARG . 7089 1 29 128 GLU . 7089 1 30 129 ASP . 7089 1 31 130 VAL . 7089 1 32 131 ASP . 7089 1 33 132 TYR . 7089 1 34 133 ALA . 7089 1 35 134 ILE . 7089 1 36 135 ARG . 7089 1 37 136 LYS . 7089 1 38 137 ALA . 7089 1 39 138 PHE . 7089 1 40 139 GLN . 7089 1 41 140 VAL . 7089 1 42 141 TRP . 7089 1 43 142 SER . 7089 1 44 143 ASN . 7089 1 45 144 VAL . 7089 1 46 145 THR . 7089 1 47 146 PRO . 7089 1 48 147 LEU . 7089 1 49 148 LYS . 7089 1 50 149 PHE . 7089 1 51 150 SER . 7089 1 52 151 LYS . 7089 1 53 152 ILE . 7089 1 54 153 ASN . 7089 1 55 154 THR . 7089 1 56 155 GLY . 7089 1 57 156 MET . 7089 1 58 157 ALA . 7089 1 59 158 ASP . 7089 1 60 159 ILE . 7089 1 61 160 LEU . 7089 1 62 161 VAL . 7089 1 63 162 VAL . 7089 1 64 163 PHE . 7089 1 65 164 ALA . 7089 1 66 165 ARG . 7089 1 67 166 GLY . 7089 1 68 167 ALA . 7089 1 69 168 HIS . 7089 1 70 169 GLY . 7089 1 71 170 ASP . 7089 1 72 171 PHE . 7089 1 73 172 HIS . 7089 1 74 173 ALA . 7089 1 75 174 PHE . 7089 1 76 175 ASP . 7089 1 77 176 GLY . 7089 1 78 177 LYS . 7089 1 79 178 GLY . 7089 1 80 179 GLY . 7089 1 81 180 ILE . 7089 1 82 181 LEU . 7089 1 83 182 ALA . 7089 1 84 183 HIS . 7089 1 85 184 ALA . 7089 1 86 185 PHE . 7089 1 87 186 GLY . 7089 1 88 187 PRO . 7089 1 89 188 GLY . 7089 1 90 189 SER . 7089 1 91 190 GLY . 7089 1 92 191 ILE . 7089 1 93 192 GLY . 7089 1 94 193 GLY . 7089 1 95 194 ASP . 7089 1 96 195 ALA . 7089 1 97 196 HIS . 7089 1 98 197 PHE . 7089 1 99 198 ASP . 7089 1 100 199 GLU . 7089 1 101 200 ASP . 7089 1 102 201 GLU . 7089 1 103 202 PHE . 7089 1 104 203 TRP . 7089 1 105 204 THR . 7089 1 106 205 THR . 7089 1 107 206 HIS . 7089 1 108 207 SER . 7089 1 109 208 GLY . 7089 1 110 209 GLY . 7089 1 111 210 THR . 7089 1 112 211 ASN . 7089 1 113 212 LEU . 7089 1 114 213 PHE . 7089 1 115 214 LEU . 7089 1 116 215 THR . 7089 1 117 216 ALA . 7089 1 118 217 VAL . 7089 1 119 218 HIS . 7089 1 120 219 ALA . 7089 1 121 220 ILE . 7089 1 122 221 GLY . 7089 1 123 222 HIS . 7089 1 124 223 SER . 7089 1 125 224 LEU . 7089 1 126 225 GLY . 7089 1 127 226 LEU . 7089 1 128 227 GLY . 7089 1 129 228 HIS . 7089 1 130 229 SER . 7089 1 131 230 SER . 7089 1 132 231 ASP . 7089 1 133 232 PRO . 7089 1 134 233 LYS . 7089 1 135 234 ALA . 7089 1 136 235 VAL . 7089 1 137 236 MET . 7089 1 138 237 PHE . 7089 1 139 238 PRO . 7089 1 140 239 THR . 7089 1 141 240 TYR . 7089 1 142 241 LYS . 7089 1 143 242 TYR . 7089 1 144 243 VAL . 7089 1 145 244 ASP . 7089 1 146 245 ILE . 7089 1 147 246 ASN . 7089 1 148 247 THR . 7089 1 149 248 PHE . 7089 1 150 249 ARG . 7089 1 151 250 LEU . 7089 1 152 251 SER . 7089 1 153 252 ALA . 7089 1 154 253 ASP . 7089 1 155 254 ASP . 7089 1 156 255 ILE . 7089 1 157 256 ARG . 7089 1 158 257 GLY . 7089 1 159 258 ILE . 7089 1 160 259 GLN . 7089 1 161 260 SER . 7089 1 162 261 LEU . 7089 1 163 262 TYR . 7089 1 164 263 GLY . 7089 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 . PHE 1 1 7089 1 . ARG 2 2 7089 1 . GLU 3 3 7089 1 . MET 4 4 7089 1 . PRO 5 5 7089 1 . GLY 6 6 7089 1 . GLY 7 7 7089 1 . PRO 8 8 7089 1 . VAL 9 9 7089 1 . TRP 10 10 7089 1 . ARG 11 11 7089 1 . LYS 12 12 7089 1 . HIS 13 13 7089 1 . TYR 14 14 7089 1 . ILE 15 15 7089 1 . THR 16 16 7089 1 . TYR 17 17 7089 1 . ARG 18 18 7089 1 . ILE 19 19 7089 1 . ASN 20 20 7089 1 . ASN 21 21 7089 1 . TYR 22 22 7089 1 . THR 23 23 7089 1 . PRO 24 24 7089 1 . ASP 25 25 7089 1 . MET 26 26 7089 1 . ASN 27 27 7089 1 . ARG 28 28 7089 1 . GLU 29 29 7089 1 . ASP 30 30 7089 1 . VAL 31 31 7089 1 . ASP 32 32 7089 1 . TYR 33 33 7089 1 . ALA 34 34 7089 1 . ILE 35 35 7089 1 . ARG 36 36 7089 1 . LYS 37 37 7089 1 . ALA 38 38 7089 1 . PHE 39 39 7089 1 . GLN 40 40 7089 1 . VAL 41 41 7089 1 . TRP 42 42 7089 1 . SER 43 43 7089 1 . ASN 44 44 7089 1 . VAL 45 45 7089 1 . THR 46 46 7089 1 . PRO 47 47 7089 1 . LEU 48 48 7089 1 . LYS 49 49 7089 1 . PHE 50 50 7089 1 . SER 51 51 7089 1 . LYS 52 52 7089 1 . ILE 53 53 7089 1 . ASN 54 54 7089 1 . THR 55 55 7089 1 . GLY 56 56 7089 1 . MET 57 57 7089 1 . ALA 58 58 7089 1 . ASP 59 59 7089 1 . ILE 60 60 7089 1 . LEU 61 61 7089 1 . VAL 62 62 7089 1 . VAL 63 63 7089 1 . PHE 64 64 7089 1 . ALA 65 65 7089 1 . ARG 66 66 7089 1 . GLY 67 67 7089 1 . ALA 68 68 7089 1 . HIS 69 69 7089 1 . GLY 70 70 7089 1 . ASP 71 71 7089 1 . PHE 72 72 7089 1 . HIS 73 73 7089 1 . ALA 74 74 7089 1 . PHE 75 75 7089 1 . ASP 76 76 7089 1 . GLY 77 77 7089 1 . LYS 78 78 7089 1 . GLY 79 79 7089 1 . GLY 80 80 7089 1 . ILE 81 81 7089 1 . LEU 82 82 7089 1 . ALA 83 83 7089 1 . HIS 84 84 7089 1 . ALA 85 85 7089 1 . PHE 86 86 7089 1 . GLY 87 87 7089 1 . PRO 88 88 7089 1 . GLY 89 89 7089 1 . SER 90 90 7089 1 . GLY 91 91 7089 1 . ILE 92 92 7089 1 . GLY 93 93 7089 1 . GLY 94 94 7089 1 . ASP 95 95 7089 1 . ALA 96 96 7089 1 . HIS 97 97 7089 1 . PHE 98 98 7089 1 . ASP 99 99 7089 1 . GLU 100 100 7089 1 . ASP 101 101 7089 1 . GLU 102 102 7089 1 . PHE 103 103 7089 1 . TRP 104 104 7089 1 . THR 105 105 7089 1 . THR 106 106 7089 1 . HIS 107 107 7089 1 . SER 108 108 7089 1 . GLY 109 109 7089 1 . GLY 110 110 7089 1 . THR 111 111 7089 1 . ASN 112 112 7089 1 . LEU 113 113 7089 1 . PHE 114 114 7089 1 . LEU 115 115 7089 1 . THR 116 116 7089 1 . ALA 117 117 7089 1 . VAL 118 118 7089 1 . HIS 119 119 7089 1 . ALA 120 120 7089 1 . ILE 121 121 7089 1 . GLY 122 122 7089 1 . HIS 123 123 7089 1 . SER 124 124 7089 1 . LEU 125 125 7089 1 . GLY 126 126 7089 1 . LEU 127 127 7089 1 . GLY 128 128 7089 1 . HIS 129 129 7089 1 . SER 130 130 7089 1 . SER 131 131 7089 1 . ASP 132 132 7089 1 . PRO 133 133 7089 1 . LYS 134 134 7089 1 . ALA 135 135 7089 1 . VAL 136 136 7089 1 . MET 137 137 7089 1 . PHE 138 138 7089 1 . PRO 139 139 7089 1 . THR 140 140 7089 1 . TYR 141 141 7089 1 . LYS 142 142 7089 1 . TYR 143 143 7089 1 . VAL 144 144 7089 1 . ASP 145 145 7089 1 . ILE 146 146 7089 1 . ASN 147 147 7089 1 . THR 148 148 7089 1 . PHE 149 149 7089 1 . ARG 150 150 7089 1 . LEU 151 151 7089 1 . SER 152 152 7089 1 . ALA 153 153 7089 1 . ASP 154 154 7089 1 . ASP 155 155 7089 1 . ILE 156 156 7089 1 . ARG 157 157 7089 1 . GLY 158 158 7089 1 . ILE 159 159 7089 1 . GLN 160 160 7089 1 . SER 161 161 7089 1 . LEU 162 162 7089 1 . TYR 163 163 7089 1 . GLY 164 164 7089 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 7089 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . ZN . 7089 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 7089 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 7089 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 7089 _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 $Metalloprotease . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7089 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 7089 _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 $Metalloprotease . 'recombinant technology' . 'E. coli' . . . . 'BL21 (DE3) RIL' . . . . . . . . . . . . Plasmid . . pGEXMEX-1 . Promega . ; 1) Foreign linker residues 'MSA' present at N-terminal end of coding frame from sub-cloning. These 3 residues could be lost from gradual autoproteolysis. 2) A Glu 219 Ala substitution was used to inactivate MMP-12's autoproteolysis without altering the structure of the protease ; . . 7089 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 7089 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _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 ZN _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 Zn _Chem_comp.Formula_weight 65.409 _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 Sep 30 15:25:14 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 InChI=1S/Zn/q+2 InChI InChI 1.03 7089 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7089 ZN [Zn++] SMILES CACTVS 3.341 7089 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 7089 ZN [Zn+2] SMILES ACDLabs 10.04 7089 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7089 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7089 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 7089 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7089 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7089 ZN stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 7089 _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 Sep 30 15:25:44 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 7089 CA [Ca++] SMILES CACTVS 3.341 7089 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7089 CA [Ca+2] SMILES ACDLabs 10.04 7089 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7089 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7089 CA InChI=1S/Ca/q+2 InChI InChI 1.03 7089 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 7089 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7089 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 . 7089 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7089 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MMP-12 '[U-13C; U-15N]' 1 $assembly . . . protein 0.55 . . mM . . . . 7089 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7089 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MMP-12 [U-15N] 1 $assembly . . . protein 0.45 . . mM . . . . 7089 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7089 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 0.05 pH 7089 1 temperature 299 1 K 7089 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7089 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details ; F. Delaglio, S.Grzesick, G. W. Vuister, G, Zhu, J. Pfeifer and A. Bax, (1995) J. Biomol. NMR 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing Spectra' 7089 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7089 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.106 _Software.Details ; T.D. Goddard and D.G. Kneller, SPARKY 3, University of California, San Francisco, USA ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 7089 2 'Peak Picking' 7089 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7089 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Triple Resonance Single-axis gradient Cryoprobe for most experiments ; _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7089 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Triple Resonance experiments' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7089 _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 '1H15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 2 '1H13C HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 3 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 4 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 5 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 6 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 7 HACACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 8 HNNCAHA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 9 CCONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 10 HCCONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 11 HCACOCANH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 12 HCCHTOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 13 CCHTOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 14 HBCBCGCDHD(CEHE) no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 15 '15N ed 3D NOESY HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 16 '13C ed 3D NOESY HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7089 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7089 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 7089 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 7089 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 7089 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7089 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H15N HSQC' 2 $sample_2 isotropic 7089 1 2 '1H13C HSQC' 1 $sample_1 isotropic 7089 1 3 HNCO 1 $sample_1 isotropic 7089 1 4 HNCA 1 $sample_1 isotropic 7089 1 5 CBCACONH 1 $sample_1 isotropic 7089 1 6 HNCACB 1 $sample_1 isotropic 7089 1 7 HACACONH 1 $sample_1 isotropic 7089 1 8 HNNCAHA 1 $sample_1 isotropic 7089 1 9 CCONH 1 $sample_1 isotropic 7089 1 10 HCCONH 1 $sample_1 isotropic 7089 1 11 HCACOCANH 1 $sample_1 isotropic 7089 1 12 HCCHTOCSY 1 $sample_1 isotropic 7089 1 13 CCHTOCSY 1 $sample_1 isotropic 7089 1 14 HBCBCGCDHD(CEHE) 1 $sample_1 isotropic 7089 1 15 '15N ed 3D NOESY HSQC' 2 $sample_2 isotropic 7089 1 16 '13C ed 3D NOESY HSQC' 1 $sample_1 isotropic 7089 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7089 1 2 $software_2 . . 7089 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 2 2 ARG H H 1 9.060 0.04 . 1 . . . . 101 ARG H . 7089 1 2 . 1 1 2 2 ARG HA H 1 4.550 0.04 . 1 . . . . 101 ARG HA . 7089 1 3 . 1 1 2 2 ARG HB2 H 1 1.820 0.04 . 2 . . . . 101 ARG HB2 . 7089 1 4 . 1 1 2 2 ARG HG3 H 1 1.670 0.04 . 2 . . . . 101 ARG HG3 . 7089 1 5 . 1 1 2 2 ARG HD2 H 1 3.110 0.04 . 2 . . . . 101 ARG HD2 . 7089 1 6 . 1 1 2 2 ARG C C 13 175.600 0.30 . 1 . . . . 101 ARG C . 7089 1 7 . 1 1 2 2 ARG CA C 13 57.880 0.30 . 1 . . . . 101 ARG CA . 7089 1 8 . 1 1 2 2 ARG CB C 13 29.530 0.30 . 1 . . . . 101 ARG CB . 7089 1 9 . 1 1 2 2 ARG CG C 13 26.900 0.30 . 1 . . . . 101 ARG CG . 7089 1 10 . 1 1 2 2 ARG CD C 13 41.500 0.30 . 1 . . . . 101 ARG CD . 7089 1 11 . 1 1 2 2 ARG N N 15 118.080 0.40 . 1 . . . . 101 ARG N . 7089 1 12 . 1 1 3 3 GLU H H 1 8.950 0.04 . 1 . . . . 102 GLU H . 7089 1 13 . 1 1 3 3 GLU HA H 1 4.220 0.04 . 1 . . . . 102 GLU HA . 7089 1 14 . 1 1 3 3 GLU HB2 H 1 1.570 0.04 . 2 . . . . 102 GLU HB2 . 7089 1 15 . 1 1 3 3 GLU HG2 H 1 2.360 0.04 . 2 . . . . 102 GLU HG2 . 7089 1 16 . 1 1 3 3 GLU C C 13 173.300 0.30 . 1 . . . . 102 GLU C . 7089 1 17 . 1 1 3 3 GLU CA C 13 61.720 0.30 . 1 . . . . 102 GLU CA . 7089 1 18 . 1 1 3 3 GLU CB C 13 35.300 0.30 . 1 . . . . 102 GLU CB . 7089 1 19 . 1 1 3 3 GLU CG C 13 39.600 0.30 . 1 . . . . 102 GLU CG . 7089 1 20 . 1 1 3 3 GLU N N 15 124.230 0.40 . 1 . . . . 102 GLU N . 7089 1 21 . 1 1 4 4 MET H H 1 7.620 0.04 . 1 . . . . 103 MET H . 7089 1 22 . 1 1 4 4 MET HA H 1 4.690 0.04 . 1 . . . . 103 MET HA . 7089 1 23 . 1 1 4 4 MET HB2 H 1 1.470 0.04 . 2 . . . . 103 MET HB2 . 7089 1 24 . 1 1 4 4 MET HB3 H 1 1.690 0.04 . 2 . . . . 103 MET HB3 . 7089 1 25 . 1 1 4 4 MET CA C 13 53.600 0.30 . 1 . . . . 103 MET CA . 7089 1 26 . 1 1 4 4 MET CE C 13 19.000 0.30 . 1 . . . . 103 MET CE . 7089 1 27 . 1 1 4 4 MET N N 15 130.090 0.40 . 1 . . . . 103 MET N . 7089 1 28 . 1 1 5 5 PRO HA H 1 4.350 0.04 . 1 . . . . 104 PRO HA . 7089 1 29 . 1 1 5 5 PRO HB3 H 1 2.310 0.04 . 2 . . . . 104 PRO HB3 . 7089 1 30 . 1 1 5 5 PRO HG3 H 1 1.990 0.04 . 2 . . . . 104 PRO HG3 . 7089 1 31 . 1 1 5 5 PRO HD3 H 1 3.700 0.04 . 2 . . . . 104 PRO HD3 . 7089 1 32 . 1 1 5 5 PRO C C 13 177.400 0.30 . 1 . . . . 104 PRO C . 7089 1 33 . 1 1 5 5 PRO CA C 13 63.540 0.30 . 1 . . . . 104 PRO CA . 7089 1 34 . 1 1 5 5 PRO CB C 13 32.450 0.30 . 1 . . . . 104 PRO CB . 7089 1 35 . 1 1 5 5 PRO CG C 13 27.400 0.30 . 1 . . . . 104 PRO CG . 7089 1 36 . 1 1 5 5 PRO CD C 13 47.600 0.30 . 1 . . . . 104 PRO CD . 7089 1 37 . 1 1 6 6 GLY H H 1 8.420 0.04 . 1 . . . . 105 GLY H . 7089 1 38 . 1 1 6 6 GLY HA2 H 1 4.380 0.04 . 2 . . . . 105 GLY HA2 . 7089 1 39 . 1 1 6 6 GLY HA3 H 1 3.920 0.04 . 2 . . . . 105 GLY HA3 . 7089 1 40 . 1 1 6 6 GLY CA C 13 45.360 0.30 . 1 . . . . 105 GLY CA . 7089 1 41 . 1 1 6 6 GLY N N 15 109.410 0.40 . 1 . . . . 105 GLY N . 7089 1 42 . 1 1 7 7 GLY H H 1 7.960 0.04 . 1 . . . . 106 GLY H . 7089 1 43 . 1 1 7 7 GLY HA2 H 1 4.090 0.04 . 2 . . . . 106 GLY HA2 . 7089 1 44 . 1 1 7 7 GLY HA3 H 1 3.890 0.04 . 2 . . . . 106 GLY HA3 . 7089 1 45 . 1 1 7 7 GLY CA C 13 44.490 0.30 . 1 . . . . 106 GLY CA . 7089 1 46 . 1 1 7 7 GLY N N 15 108.230 0.40 . 1 . . . . 106 GLY N . 7089 1 47 . 1 1 8 8 PRO HA H 1 3.830 0.04 . 1 . . . . 107 PRO HA . 7089 1 48 . 1 1 8 8 PRO HB2 H 1 2.220 0.04 . 2 . . . . 107 PRO HB2 . 7089 1 49 . 1 1 8 8 PRO HB3 H 1 2.000 0.04 . 2 . . . . 107 PRO HB3 . 7089 1 50 . 1 1 8 8 PRO HG3 H 1 1.750 0.04 . 2 . . . . 107 PRO HG3 . 7089 1 51 . 1 1 8 8 PRO HD2 H 1 3.600 0.04 . 2 . . . . 107 PRO HD2 . 7089 1 52 . 1 1 8 8 PRO HD3 H 1 3.490 0.04 . 2 . . . . 107 PRO HD3 . 7089 1 53 . 1 1 8 8 PRO CA C 13 64.520 0.30 . 1 . . . . 107 PRO CA . 7089 1 54 . 1 1 8 8 PRO CB C 13 35.000 0.30 . 1 . . . . 107 PRO CB . 7089 1 55 . 1 1 9 9 VAL H H 1 7.010 0.04 . 1 . . . . 108 VAL H . 7089 1 56 . 1 1 9 9 VAL HA H 1 4.630 0.04 . 1 . . . . 108 VAL HA . 7089 1 57 . 1 1 9 9 VAL HB H 1 1.740 0.04 . 1 . . . . 108 VAL HB . 7089 1 58 . 1 1 9 9 VAL HG11 H 1 0.690 0.04 . 2 . . . . 108 VAL HG1 . 7089 1 59 . 1 1 9 9 VAL HG12 H 1 0.690 0.04 . 2 . . . . 108 VAL HG1 . 7089 1 60 . 1 1 9 9 VAL HG13 H 1 0.690 0.04 . 2 . . . . 108 VAL HG1 . 7089 1 61 . 1 1 9 9 VAL HG21 H 1 0.600 0.04 . 2 . . . . 108 VAL HG2 . 7089 1 62 . 1 1 9 9 VAL HG22 H 1 0.600 0.04 . 2 . . . . 108 VAL HG2 . 7089 1 63 . 1 1 9 9 VAL HG23 H 1 0.600 0.04 . 2 . . . . 108 VAL HG2 . 7089 1 64 . 1 1 9 9 VAL CA C 13 59.040 0.30 . 1 . . . . 108 VAL CA . 7089 1 65 . 1 1 9 9 VAL N N 15 109.090 0.40 . 1 . . . . 108 VAL N . 7089 1 66 . 1 1 10 10 TRP HB2 H 1 2.810 0.04 . 2 . . . . 109 TRP HB2 . 7089 1 67 . 1 1 10 10 TRP HB3 H 1 2.950 0.04 . 2 . . . . 109 TRP HB3 . 7089 1 68 . 1 1 10 10 TRP HD1 H 1 7.200 0.04 . 1 . . . . 109 TRP HD1 . 7089 1 69 . 1 1 10 10 TRP HE1 H 1 10.100 0.04 . 1 . . . . 109 TRP HE1 . 7089 1 70 . 1 1 10 10 TRP HE3 H 1 7.800 0.04 . 1 . . . . 109 TRP HE3 . 7089 1 71 . 1 1 10 10 TRP HZ2 H 1 7.430 0.04 . 1 . . . . 109 TRP HZ2 . 7089 1 72 . 1 1 10 10 TRP HH2 H 1 7.190 0.04 . 1 . . . . 109 TRP HH2 . 7089 1 73 . 1 1 10 10 TRP CB C 13 27.000 0.30 . 1 . . . . 109 TRP CB . 7089 1 74 . 1 1 10 10 TRP CD1 C 13 122.500 0.30 . 1 . . . . 109 TRP CD1 . 7089 1 75 . 1 1 10 10 TRP CE3 C 13 119.000 0.30 . 1 . . . . 109 TRP CE3 . 7089 1 76 . 1 1 10 10 TRP CZ2 C 13 112.000 0.30 . 1 . . . . 109 TRP CZ2 . 7089 1 77 . 1 1 10 10 TRP CH2 C 13 122.300 0.30 . 1 . . . . 109 TRP CH2 . 7089 1 78 . 1 1 10 10 TRP NE1 N 15 130.000 0.40 . 1 . . . . 109 TRP NE1 . 7089 1 79 . 1 1 11 11 ARG H H 1 8.550 0.04 . 1 . . . . 110 ARG H . 7089 1 80 . 1 1 11 11 ARG HA H 1 4.560 0.04 . 1 . . . . 110 ARG HA . 7089 1 81 . 1 1 11 11 ARG HB2 H 1 1.720 0.04 . 2 . . . . 110 ARG HB2 . 7089 1 82 . 1 1 11 11 ARG HG3 H 1 1.560 0.04 . 2 . . . . 110 ARG HG3 . 7089 1 83 . 1 1 11 11 ARG HD2 H 1 2.970 0.04 . 2 . . . . 110 ARG HD2 . 7089 1 84 . 1 1 11 11 ARG HD3 H 1 3.170 0.04 . 2 . . . . 110 ARG HD3 . 7089 1 85 . 1 1 11 11 ARG C C 13 176.500 0.30 . 1 . . . . 110 ARG C . 7089 1 86 . 1 1 11 11 ARG CA C 13 55.600 0.30 . 1 . . . . 110 ARG CA . 7089 1 87 . 1 1 11 11 ARG CB C 13 28.800 0.30 . 1 . . . . 110 ARG CB . 7089 1 88 . 1 1 11 11 ARG CG C 13 27.300 0.30 . 1 . . . . 110 ARG CG . 7089 1 89 . 1 1 11 11 ARG CD C 13 43.300 0.30 . 1 . . . . 110 ARG CD . 7089 1 90 . 1 1 11 11 ARG N N 15 118.180 0.40 . 1 . . . . 110 ARG N . 7089 1 91 . 1 1 12 12 LYS H H 1 7.530 0.04 . 1 . . . . 111 LYS H . 7089 1 92 . 1 1 12 12 LYS HA H 1 4.540 0.04 . 1 . . . . 111 LYS HA . 7089 1 93 . 1 1 12 12 LYS HB2 H 1 1.970 0.04 . 2 . . . . 111 LYS HB2 . 7089 1 94 . 1 1 12 12 LYS HB3 H 1 2.130 0.04 . 2 . . . . 111 LYS HB3 . 7089 1 95 . 1 1 12 12 LYS HG2 H 1 1.190 0.04 . 2 . . . . 111 LYS HG2 . 7089 1 96 . 1 1 12 12 LYS HG3 H 1 1.400 0.04 . 2 . . . . 111 LYS HG3 . 7089 1 97 . 1 1 12 12 LYS HD3 H 1 1.750 0.04 . 2 . . . . 111 LYS HD3 . 7089 1 98 . 1 1 12 12 LYS HE3 H 1 3.470 0.04 . 2 . . . . 111 LYS HE3 . 7089 1 99 . 1 1 12 12 LYS C C 13 174.100 0.30 . 1 . . . . 111 LYS C . 7089 1 100 . 1 1 12 12 LYS CA C 13 54.530 0.30 . 1 . . . . 111 LYS CA . 7089 1 101 . 1 1 12 12 LYS CB C 13 26.800 0.30 . 1 . . . . 111 LYS CB . 7089 1 102 . 1 1 12 12 LYS CG C 13 22.500 0.30 . 1 . . . . 111 LYS CG . 7089 1 103 . 1 1 12 12 LYS CD C 13 27.600 0.30 . 1 . . . . 111 LYS CD . 7089 1 104 . 1 1 12 12 LYS N N 15 115.550 0.40 . 1 . . . . 111 LYS N . 7089 1 105 . 1 1 13 13 HIS H H 1 8.390 0.04 . 1 . . . . 112 HIS H . 7089 1 106 . 1 1 13 13 HIS HA H 1 4.820 0.04 . 1 . . . . 112 HIS HA . 7089 1 107 . 1 1 13 13 HIS HB2 H 1 3.310 0.04 . 2 . . . . 112 HIS HB2 . 7089 1 108 . 1 1 13 13 HIS HB3 H 1 2.800 0.04 . 2 . . . . 112 HIS HB3 . 7089 1 109 . 1 1 13 13 HIS HD2 H 1 6.680 0.04 . 1 . . . . 112 HIS HD2 . 7089 1 110 . 1 1 13 13 HIS HE1 H 1 8.110 0.04 . 1 . . . . 112 HIS HE1 . 7089 1 111 . 1 1 13 13 HIS C C 13 173.300 0.30 . 1 . . . . 112 HIS C . 7089 1 112 . 1 1 13 13 HIS CA C 13 54.600 0.30 . 1 . . . . 112 HIS CA . 7089 1 113 . 1 1 13 13 HIS CB C 13 31.500 0.30 . 1 . . . . 112 HIS CB . 7089 1 114 . 1 1 13 13 HIS CD2 C 13 114.300 0.30 . 1 . . . . 112 HIS CD2 . 7089 1 115 . 1 1 13 13 HIS CE1 C 13 136.300 0.30 . 1 . . . . 112 HIS CE1 . 7089 1 116 . 1 1 13 13 HIS N N 15 114.390 0.40 . 1 . . . . 112 HIS N . 7089 1 117 . 1 1 14 14 TYR H H 1 7.000 0.04 . 1 . . . . 113 TYR H . 7089 1 118 . 1 1 14 14 TYR HA H 1 4.540 0.04 . 1 . . . . 113 TYR HA . 7089 1 119 . 1 1 14 14 TYR HB2 H 1 2.860 0.04 . 2 . . . . 113 TYR HB2 . 7089 1 120 . 1 1 14 14 TYR HB3 H 1 2.740 0.04 . 2 . . . . 113 TYR HB3 . 7089 1 121 . 1 1 14 14 TYR HD1 H 1 7.170 0.04 . 1 . . . . 113 TYR HD1 . 7089 1 122 . 1 1 14 14 TYR HE1 H 1 6.690 0.04 . 1 . . . . 113 TYR HE1 . 7089 1 123 . 1 1 14 14 TYR C C 13 173.900 0.30 . 1 . . . . 113 TYR C . 7089 1 124 . 1 1 14 14 TYR CA C 13 56.850 0.30 . 1 . . . . 113 TYR CA . 7089 1 125 . 1 1 14 14 TYR CB C 13 38.640 0.30 . 1 . . . . 113 TYR CB . 7089 1 126 . 1 1 14 14 TYR CD1 C 13 131.100 0.30 . 1 . . . . 113 TYR CD1 . 7089 1 127 . 1 1 14 14 TYR CE1 C 13 116.100 0.30 . 1 . . . . 113 TYR CE1 . 7089 1 128 . 1 1 14 14 TYR N N 15 120.160 0.40 . 1 . . . . 113 TYR N . 7089 1 129 . 1 1 15 15 ILE H H 1 8.320 0.04 . 1 . . . . 114 ILE H . 7089 1 130 . 1 1 15 15 ILE HA H 1 4.180 0.04 . 1 . . . . 114 ILE HA . 7089 1 131 . 1 1 15 15 ILE HB H 1 2.220 0.04 . 1 . . . . 114 ILE HB . 7089 1 132 . 1 1 15 15 ILE HG12 H 1 1.370 0.04 . 2 . . . . 114 ILE HG12 . 7089 1 133 . 1 1 15 15 ILE HG13 H 1 1.100 0.04 . 2 . . . . 114 ILE HG13 . 7089 1 134 . 1 1 15 15 ILE HG21 H 1 0.750 0.04 . 1 . . . . 114 ILE HG2 . 7089 1 135 . 1 1 15 15 ILE HG22 H 1 0.750 0.04 . 1 . . . . 114 ILE HG2 . 7089 1 136 . 1 1 15 15 ILE HG23 H 1 0.750 0.04 . 1 . . . . 114 ILE HG2 . 7089 1 137 . 1 1 15 15 ILE HD11 H 1 0.420 0.04 . 1 . . . . 114 ILE HD1 . 7089 1 138 . 1 1 15 15 ILE HD12 H 1 0.420 0.04 . 1 . . . . 114 ILE HD1 . 7089 1 139 . 1 1 15 15 ILE HD13 H 1 0.420 0.04 . 1 . . . . 114 ILE HD1 . 7089 1 140 . 1 1 15 15 ILE C C 13 175.400 0.30 . 1 . . . . 114 ILE C . 7089 1 141 . 1 1 15 15 ILE CA C 13 59.030 0.30 . 1 . . . . 114 ILE CA . 7089 1 142 . 1 1 15 15 ILE CB C 13 40.830 0.30 . 1 . . . . 114 ILE CB . 7089 1 143 . 1 1 15 15 ILE CG1 C 13 27.900 0.30 . 1 . . . . 114 ILE CG1 . 7089 1 144 . 1 1 15 15 ILE CG2 C 13 17.000 0.30 . 1 . . . . 114 ILE CG2 . 7089 1 145 . 1 1 15 15 ILE N N 15 128.600 0.40 . 1 . . . . 114 ILE N . 7089 1 146 . 1 1 16 16 THR H H 1 9.270 0.04 . 1 . . . . 115 THR H . 7089 1 147 . 1 1 16 16 THR HA H 1 5.320 0.04 . 1 . . . . 115 THR HA . 7089 1 148 . 1 1 16 16 THR HB H 1 4.110 0.04 . 1 . . . . 115 THR HB . 7089 1 149 . 1 1 16 16 THR HG21 H 1 1.100 0.04 . 1 . . . . 115 THR HG2 . 7089 1 150 . 1 1 16 16 THR HG22 H 1 1.100 0.04 . 1 . . . . 115 THR HG2 . 7089 1 151 . 1 1 16 16 THR HG23 H 1 1.100 0.04 . 1 . . . . 115 THR HG2 . 7089 1 152 . 1 1 16 16 THR C C 13 174.600 0.30 . 1 . . . . 115 THR C . 7089 1 153 . 1 1 16 16 THR CA C 13 58.900 0.30 . 1 . . . . 115 THR CA . 7089 1 154 . 1 1 16 16 THR CB C 13 72.400 0.30 . 1 . . . . 115 THR CB . 7089 1 155 . 1 1 16 16 THR CG2 C 13 22.100 0.30 . 1 . . . . 115 THR CG2 . 7089 1 156 . 1 1 16 16 THR N N 15 117.430 0.40 . 1 . . . . 115 THR N . 7089 1 157 . 1 1 17 17 TYR H H 1 8.660 0.04 . 1 . . . . 116 TYR H . 7089 1 158 . 1 1 17 17 TYR HA H 1 5.860 0.04 . 1 . . . . 116 TYR HA . 7089 1 159 . 1 1 17 17 TYR HB2 H 1 2.960 0.04 . 2 . . . . 116 TYR HB2 . 7089 1 160 . 1 1 17 17 TYR HB3 H 1 2.330 0.04 . 2 . . . . 116 TYR HB3 . 7089 1 161 . 1 1 17 17 TYR HD1 H 1 6.890 0.04 . 1 . . . . 116 TYR HD1 . 7089 1 162 . 1 1 17 17 TYR HE1 H 1 6.850 0.04 . 1 . . . . 116 TYR HE1 . 7089 1 163 . 1 1 17 17 TYR C C 13 171.900 0.30 . 1 . . . . 116 TYR C . 7089 1 164 . 1 1 17 17 TYR CA C 13 55.190 0.30 . 1 . . . . 116 TYR CA . 7089 1 165 . 1 1 17 17 TYR CB C 13 43.640 0.30 . 1 . . . . 116 TYR CB . 7089 1 166 . 1 1 17 17 TYR CD1 C 13 129.600 0.30 . 1 . . . . 116 TYR CD1 . 7089 1 167 . 1 1 17 17 TYR CE1 C 13 116.200 0.30 . 1 . . . . 116 TYR CE1 . 7089 1 168 . 1 1 17 17 TYR N N 15 117.440 0.40 . 1 . . . . 116 TYR N . 7089 1 169 . 1 1 18 18 ARG H H 1 8.360 0.04 . 1 . . . . 117 ARG H . 7089 1 170 . 1 1 18 18 ARG HA H 1 4.700 0.04 . 1 . . . . 117 ARG HA . 7089 1 171 . 1 1 18 18 ARG HB2 H 1 1.770 0.04 . 2 . . . . 117 ARG HB2 . 7089 1 172 . 1 1 18 18 ARG HG3 H 1 1.530 0.04 . 2 . . . . 117 ARG HG3 . 7089 1 173 . 1 1 18 18 ARG HD2 H 1 3.030 0.04 . 2 . . . . 117 ARG HD2 . 7089 1 174 . 1 1 18 18 ARG C C 13 174.200 0.30 . 1 . . . . 117 ARG C . 7089 1 175 . 1 1 18 18 ARG CA C 13 54.740 0.30 . 1 . . . . 117 ARG CA . 7089 1 176 . 1 1 18 18 ARG CB C 13 35.790 0.30 . 1 . . . . 117 ARG CB . 7089 1 177 . 1 1 18 18 ARG CG C 13 27.000 0.30 . 1 . . . . 117 ARG CG . 7089 1 178 . 1 1 18 18 ARG CD C 13 43.900 0.30 . 1 . . . . 117 ARG CD . 7089 1 179 . 1 1 18 18 ARG N N 15 119.030 0.40 . 1 . . . . 117 ARG N . 7089 1 180 . 1 1 19 19 ILE H H 1 9.180 0.04 . 1 . . . . 118 ILE H . 7089 1 181 . 1 1 19 19 ILE HA H 1 4.340 0.04 . 1 . . . . 118 ILE HA . 7089 1 182 . 1 1 19 19 ILE HB H 1 2.170 0.04 . 1 . . . . 118 ILE HB . 7089 1 183 . 1 1 19 19 ILE HG12 H 1 1.760 0.04 . 2 . . . . 118 ILE HG12 . 7089 1 184 . 1 1 19 19 ILE HG13 H 1 1.570 0.04 . 2 . . . . 118 ILE HG13 . 7089 1 185 . 1 1 19 19 ILE HG21 H 1 0.990 0.04 . 1 . . . . 118 ILE HG2 . 7089 1 186 . 1 1 19 19 ILE HG22 H 1 0.990 0.04 . 1 . . . . 118 ILE HG2 . 7089 1 187 . 1 1 19 19 ILE HG23 H 1 0.990 0.04 . 1 . . . . 118 ILE HG2 . 7089 1 188 . 1 1 19 19 ILE HD11 H 1 0.870 0.04 . 1 . . . . 118 ILE HD1 . 7089 1 189 . 1 1 19 19 ILE HD12 H 1 0.870 0.04 . 1 . . . . 118 ILE HD1 . 7089 1 190 . 1 1 19 19 ILE HD13 H 1 0.870 0.04 . 1 . . . . 118 ILE HD1 . 7089 1 191 . 1 1 19 19 ILE C C 13 175.200 0.30 . 1 . . . . 118 ILE C . 7089 1 192 . 1 1 19 19 ILE CA C 13 61.550 0.30 . 1 . . . . 118 ILE CA . 7089 1 193 . 1 1 19 19 ILE CB C 13 37.120 0.30 . 1 . . . . 118 ILE CB . 7089 1 194 . 1 1 19 19 ILE CG1 C 13 28.000 0.30 . 1 . . . . 118 ILE CG1 . 7089 1 195 . 1 1 19 19 ILE CG2 C 13 16.900 0.30 . 1 . . . . 118 ILE CG2 . 7089 1 196 . 1 1 19 19 ILE N N 15 127.200 0.40 . 1 . . . . 118 ILE N . 7089 1 197 . 1 1 20 20 ASN H H 1 9.690 0.04 . 1 . . . . 119 ASN H . 7089 1 198 . 1 1 20 20 ASN HA H 1 4.340 0.04 . 1 . . . . 119 ASN HA . 7089 1 199 . 1 1 20 20 ASN HB2 H 1 3.090 0.04 . 2 . . . . 119 ASN HB2 . 7089 1 200 . 1 1 20 20 ASN HB3 H 1 2.530 0.04 . 2 . . . . 119 ASN HB3 . 7089 1 201 . 1 1 20 20 ASN HD21 H 1 7.600 0.04 . 2 . . . . 119 ASN HD21 . 7089 1 202 . 1 1 20 20 ASN HD22 H 1 6.990 0.04 . 2 . . . . 119 ASN HD22 . 7089 1 203 . 1 1 20 20 ASN C C 13 173.900 0.30 . 1 . . . . 119 ASN C . 7089 1 204 . 1 1 20 20 ASN CA C 13 56.530 0.30 . 1 . . . . 119 ASN CA . 7089 1 205 . 1 1 20 20 ASN CB C 13 41.990 0.30 . 1 . . . . 119 ASN CB . 7089 1 206 . 1 1 20 20 ASN N N 15 128.510 0.40 . 1 . . . . 119 ASN N . 7089 1 207 . 1 1 20 20 ASN ND2 N 15 111.400 0.40 . 1 . . . . 119 ASN ND2 . 7089 1 208 . 1 1 21 21 ASN H H 1 7.820 0.04 . 1 . . . . 120 ASN H . 7089 1 209 . 1 1 21 21 ASN HA H 1 4.670 0.04 . 1 . . . . 120 ASN HA . 7089 1 210 . 1 1 21 21 ASN HB2 H 1 2.940 0.04 . 2 . . . . 120 ASN HB2 . 7089 1 211 . 1 1 21 21 ASN HB3 H 1 3.080 0.04 . 2 . . . . 120 ASN HB3 . 7089 1 212 . 1 1 21 21 ASN HD21 H 1 7.540 0.04 . 2 . . . . 120 ASN HD21 . 7089 1 213 . 1 1 21 21 ASN HD22 H 1 7.050 0.04 . 2 . . . . 120 ASN HD22 . 7089 1 214 . 1 1 21 21 ASN C C 13 169.800 0.30 . 1 . . . . 120 ASN C . 7089 1 215 . 1 1 21 21 ASN CA C 13 52.080 0.30 . 1 . . . . 120 ASN CA . 7089 1 216 . 1 1 21 21 ASN CB C 13 39.030 0.30 . 1 . . . . 120 ASN CB . 7089 1 217 . 1 1 21 21 ASN N N 15 113.290 0.40 . 1 . . . . 120 ASN N . 7089 1 218 . 1 1 21 21 ASN ND2 N 15 114.200 0.40 . 1 . . . . 120 ASN ND2 . 7089 1 219 . 1 1 22 22 TYR H H 1 8.580 0.04 . 1 . . . . 121 TYR H . 7089 1 220 . 1 1 22 22 TYR HA H 1 4.110 0.04 . 1 . . . . 121 TYR HA . 7089 1 221 . 1 1 22 22 TYR HB2 H 1 2.850 0.04 . 2 . . . . 121 TYR HB2 . 7089 1 222 . 1 1 22 22 TYR HB3 H 1 2.600 0.04 . 2 . . . . 121 TYR HB3 . 7089 1 223 . 1 1 22 22 TYR HD1 H 1 6.950 0.04 . 1 . . . . 121 TYR HD1 . 7089 1 224 . 1 1 22 22 TYR HE1 H 1 6.850 0.04 . 1 . . . . 121 TYR HE1 . 7089 1 225 . 1 1 22 22 TYR C C 13 176.300 0.30 . 1 . . . . 121 TYR C . 7089 1 226 . 1 1 22 22 TYR CA C 13 58.650 0.30 . 1 . . . . 121 TYR CA . 7089 1 227 . 1 1 22 22 TYR CB C 13 41.170 0.30 . 1 . . . . 121 TYR CB . 7089 1 228 . 1 1 22 22 TYR CD1 C 13 131.200 0.30 . 1 . . . . 121 TYR CD1 . 7089 1 229 . 1 1 22 22 TYR CE1 C 13 115.900 0.30 . 1 . . . . 121 TYR CE1 . 7089 1 230 . 1 1 22 22 TYR N N 15 114.590 0.40 . 1 . . . . 121 TYR N . 7089 1 231 . 1 1 24 24 PRO HA H 1 4.640 0.04 . 1 . . . . 123 PRO HA . 7089 1 232 . 1 1 24 24 PRO HB2 H 1 2.110 0.04 . 2 . . . . 123 PRO HB2 . 7089 1 233 . 1 1 24 24 PRO HB3 H 1 2.250 0.04 . 2 . . . . 123 PRO HB3 . 7089 1 234 . 1 1 24 24 PRO HG2 H 1 1.930 0.04 . 2 . . . . 123 PRO HG2 . 7089 1 235 . 1 1 24 24 PRO HG3 H 1 2.070 0.04 . 2 . . . . 123 PRO HG3 . 7089 1 236 . 1 1 24 24 PRO HD2 H 1 3.590 0.04 . 2 . . . . 123 PRO HD2 . 7089 1 237 . 1 1 24 24 PRO HD3 H 1 3.420 0.04 . 2 . . . . 123 PRO HD3 . 7089 1 238 . 1 1 24 24 PRO CA C 13 63.000 0.30 . 1 . . . . 123 PRO CA . 7089 1 239 . 1 1 24 24 PRO CB C 13 32.000 0.30 . 1 . . . . 123 PRO CB . 7089 1 240 . 1 1 24 24 PRO CG C 13 27.300 0.30 . 1 . . . . 123 PRO CG . 7089 1 241 . 1 1 24 24 PRO CD C 13 49.900 0.30 . 1 . . . . 123 PRO CD . 7089 1 242 . 1 1 25 25 ASP H H 1 8.830 0.04 . 1 . . . . 124 ASP H . 7089 1 243 . 1 1 25 25 ASP HA H 1 4.100 0.04 . 1 . . . . 124 ASP HA . 7089 1 244 . 1 1 25 25 ASP HB2 H 1 2.760 0.04 . 2 . . . . 124 ASP HB2 . 7089 1 245 . 1 1 25 25 ASP HB3 H 1 2.550 0.04 . 2 . . . . 124 ASP HB3 . 7089 1 246 . 1 1 25 25 ASP C C 13 175.900 0.30 . 1 . . . . 124 ASP C . 7089 1 247 . 1 1 25 25 ASP CA C 13 56.180 0.30 . 1 . . . . 124 ASP CA . 7089 1 248 . 1 1 25 25 ASP CB C 13 41.800 0.30 . 1 . . . . 124 ASP CB . 7089 1 249 . 1 1 25 25 ASP N N 15 121.860 0.40 . 1 . . . . 124 ASP N . 7089 1 250 . 1 1 26 26 MET H H 1 6.970 0.04 . 1 . . . . 125 MET H . 7089 1 251 . 1 1 26 26 MET HA H 1 4.620 0.04 . 1 . . . . 125 MET HA . 7089 1 252 . 1 1 26 26 MET HB2 H 1 2.090 0.04 . 2 . . . . 125 MET HB2 . 7089 1 253 . 1 1 26 26 MET HB3 H 1 1.770 0.04 . 2 . . . . 125 MET HB3 . 7089 1 254 . 1 1 26 26 MET HG3 H 1 2.270 0.04 . 2 . . . . 125 MET HG3 . 7089 1 255 . 1 1 26 26 MET HE1 H 1 1.400 0.04 . 1 . . . . 125 MET HE . 7089 1 256 . 1 1 26 26 MET HE2 H 1 1.400 0.04 . 1 . . . . 125 MET HE . 7089 1 257 . 1 1 26 26 MET HE3 H 1 1.400 0.04 . 1 . . . . 125 MET HE . 7089 1 258 . 1 1 26 26 MET C C 13 174.900 0.30 . 1 . . . . 125 MET C . 7089 1 259 . 1 1 26 26 MET CA C 13 53.650 0.30 . 1 . . . . 125 MET CA . 7089 1 260 . 1 1 26 26 MET CB C 13 39.350 0.30 . 1 . . . . 125 MET CB . 7089 1 261 . 1 1 26 26 MET CG C 13 31.900 0.30 . 1 . . . . 125 MET CG . 7089 1 262 . 1 1 26 26 MET CE C 13 20.800 0.30 . 1 . . . . 125 MET CE . 7089 1 263 . 1 1 26 26 MET N N 15 113.330 0.40 . 1 . . . . 125 MET N . 7089 1 264 . 1 1 27 27 ASN H H 1 8.930 0.04 . 1 . . . . 126 ASN H . 7089 1 265 . 1 1 27 27 ASN HA H 1 4.610 0.04 . 1 . . . . 126 ASN HA . 7089 1 266 . 1 1 27 27 ASN HB2 H 1 2.620 0.04 . 2 . . . . 126 ASN HB2 . 7089 1 267 . 1 1 27 27 ASN HB3 H 1 2.860 0.04 . 2 . . . . 126 ASN HB3 . 7089 1 268 . 1 1 27 27 ASN HD21 H 1 7.470 0.04 . 2 . . . . 126 ASN HD21 . 7089 1 269 . 1 1 27 27 ASN HD22 H 1 6.840 0.04 . 2 . . . . 126 ASN HD22 . 7089 1 270 . 1 1 27 27 ASN C C 13 177.300 0.30 . 1 . . . . 126 ASN C . 7089 1 271 . 1 1 27 27 ASN CA C 13 53.500 0.30 . 1 . . . . 126 ASN CA . 7089 1 272 . 1 1 27 27 ASN CB C 13 38.650 0.30 . 1 . . . . 126 ASN CB . 7089 1 273 . 1 1 27 27 ASN N N 15 118.800 0.40 . 1 . . . . 126 ASN N . 7089 1 274 . 1 1 27 27 ASN ND2 N 15 112.100 0.40 . 1 . . . . 126 ASN ND2 . 7089 1 275 . 1 1 28 28 ARG H H 1 8.980 0.04 . 1 . . . . 127 ARG H . 7089 1 276 . 1 1 28 28 ARG HA H 1 4.760 0.04 . 1 . . . . 127 ARG HA . 7089 1 277 . 1 1 28 28 ARG HB2 H 1 1.460 0.04 . 2 . . . . 127 ARG HB2 . 7089 1 278 . 1 1 28 28 ARG HB3 H 1 1.360 0.04 . 2 . . . . 127 ARG HB3 . 7089 1 279 . 1 1 28 28 ARG HG2 H 1 1.000 0.04 . 2 . . . . 127 ARG HG2 . 7089 1 280 . 1 1 28 28 ARG HD2 H 1 3.760 0.04 . 2 . . . . 127 ARG HD2 . 7089 1 281 . 1 1 28 28 ARG C C 13 178.000 0.30 . 1 . . . . 127 ARG C . 7089 1 282 . 1 1 28 28 ARG CA C 13 60.530 0.30 . 1 . . . . 127 ARG CA . 7089 1 283 . 1 1 28 28 ARG CB C 13 30.250 0.30 . 1 . . . . 127 ARG CB . 7089 1 284 . 1 1 28 28 ARG CG C 13 26.600 0.30 . 1 . . . . 127 ARG CG . 7089 1 285 . 1 1 28 28 ARG CD C 13 43.600 0.30 . 1 . . . . 127 ARG CD . 7089 1 286 . 1 1 28 28 ARG N N 15 126.020 0.40 . 1 . . . . 127 ARG N . 7089 1 287 . 1 1 29 29 GLU H H 1 9.090 0.04 . 1 . . . . 128 GLU H . 7089 1 288 . 1 1 29 29 GLU HA H 1 4.130 0.04 . 1 . . . . 128 GLU HA . 7089 1 289 . 1 1 29 29 GLU HB2 H 1 2.000 0.04 . 2 . . . . 128 GLU HB2 . 7089 1 290 . 1 1 29 29 GLU HB3 H 1 1.940 0.04 . 2 . . . . 128 GLU HB3 . 7089 1 291 . 1 1 29 29 GLU HG2 H 1 2.330 0.04 . 2 . . . . 128 GLU HG2 . 7089 1 292 . 1 1 29 29 GLU C C 13 179.400 0.30 . 1 . . . . 128 GLU C . 7089 1 293 . 1 1 29 29 GLU CA C 13 59.700 0.30 . 1 . . . . 128 GLU CA . 7089 1 294 . 1 1 29 29 GLU CB C 13 28.800 0.30 . 1 . . . . 128 GLU CB . 7089 1 295 . 1 1 29 29 GLU CG C 13 36.300 0.30 . 1 . . . . 128 GLU CG . 7089 1 296 . 1 1 29 29 GLU N N 15 116.400 0.40 . 1 . . . . 128 GLU N . 7089 1 297 . 1 1 30 30 ASP H H 1 7.500 0.04 . 1 . . . . 129 ASP H . 7089 1 298 . 1 1 30 30 ASP HA H 1 4.660 0.04 . 1 . . . . 129 ASP HA . 7089 1 299 . 1 1 30 30 ASP HB2 H 1 2.630 0.04 . 2 . . . . 129 ASP HB2 . 7089 1 300 . 1 1 30 30 ASP HB3 H 1 2.860 0.04 . 2 . . . . 129 ASP HB3 . 7089 1 301 . 1 1 30 30 ASP C C 13 179.200 0.30 . 1 . . . . 129 ASP C . 7089 1 302 . 1 1 30 30 ASP CA C 13 57.230 0.30 . 1 . . . . 129 ASP CA . 7089 1 303 . 1 1 30 30 ASP CB C 13 41.800 0.30 . 1 . . . . 129 ASP CB . 7089 1 304 . 1 1 30 30 ASP N N 15 119.790 0.40 . 1 . . . . 129 ASP N . 7089 1 305 . 1 1 31 31 VAL H H 1 7.790 0.04 . 1 . . . . 130 VAL H . 7089 1 306 . 1 1 31 31 VAL HA H 1 4.130 0.04 . 1 . . . . 130 VAL HA . 7089 1 307 . 1 1 31 31 VAL HB H 1 2.320 0.04 . 1 . . . . 130 VAL HB . 7089 1 308 . 1 1 31 31 VAL HG11 H 1 0.990 0.04 . 2 . . . . 130 VAL HG1 . 7089 1 309 . 1 1 31 31 VAL HG12 H 1 0.990 0.04 . 2 . . . . 130 VAL HG1 . 7089 1 310 . 1 1 31 31 VAL HG13 H 1 0.990 0.04 . 2 . . . . 130 VAL HG1 . 7089 1 311 . 1 1 31 31 VAL HG21 H 1 0.800 0.04 . 2 . . . . 130 VAL HG2 . 7089 1 312 . 1 1 31 31 VAL HG22 H 1 0.800 0.04 . 2 . . . . 130 VAL HG2 . 7089 1 313 . 1 1 31 31 VAL HG23 H 1 0.800 0.04 . 2 . . . . 130 VAL HG2 . 7089 1 314 . 1 1 31 31 VAL C C 13 177.400 0.30 . 1 . . . . 130 VAL C . 7089 1 315 . 1 1 31 31 VAL CA C 13 66.960 0.30 . 1 . . . . 130 VAL CA . 7089 1 316 . 1 1 31 31 VAL CB C 13 31.450 0.30 . 1 . . . . 130 VAL CB . 7089 1 317 . 1 1 31 31 VAL CG1 C 13 24.100 0.30 . 1 . . . . 130 VAL CG1 . 7089 1 318 . 1 1 31 31 VAL CG2 C 13 21.500 0.30 . 1 . . . . 130 VAL CG2 . 7089 1 319 . 1 1 31 31 VAL N N 15 123.990 0.40 . 1 . . . . 130 VAL N . 7089 1 320 . 1 1 32 32 ASP H H 1 8.420 0.04 . 1 . . . . 131 ASP H . 7089 1 321 . 1 1 32 32 ASP HA H 1 4.360 0.04 . 1 . . . . 131 ASP HA . 7089 1 322 . 1 1 32 32 ASP HB2 H 1 2.820 0.04 . 2 . . . . 131 ASP HB2 . 7089 1 323 . 1 1 32 32 ASP HB3 H 1 2.630 0.04 . 2 . . . . 131 ASP HB3 . 7089 1 324 . 1 1 32 32 ASP C C 13 179.700 0.30 . 1 . . . . 131 ASP C . 7089 1 325 . 1 1 32 32 ASP CA C 13 58.080 0.30 . 1 . . . . 131 ASP CA . 7089 1 326 . 1 1 32 32 ASP CB C 13 40.600 0.30 . 1 . . . . 131 ASP CB . 7089 1 327 . 1 1 32 32 ASP N N 15 118.590 0.40 . 1 . . . . 131 ASP N . 7089 1 328 . 1 1 33 33 TYR H H 1 8.230 0.04 . 1 . . . . 132 TYR H . 7089 1 329 . 1 1 33 33 TYR HA H 1 4.200 0.04 . 1 . . . . 132 TYR HA . 7089 1 330 . 1 1 33 33 TYR HB2 H 1 3.120 0.04 . 2 . . . . 132 TYR HB2 . 7089 1 331 . 1 1 33 33 TYR HB3 H 1 3.310 0.04 . 2 . . . . 132 TYR HB3 . 7089 1 332 . 1 1 33 33 TYR HD1 H 1 6.970 0.04 . 1 . . . . 132 TYR HD1 . 7089 1 333 . 1 1 33 33 TYR HE1 H 1 6.730 0.04 . 1 . . . . 132 TYR HE1 . 7089 1 334 . 1 1 33 33 TYR C C 13 176.300 0.30 . 1 . . . . 132 TYR C . 7089 1 335 . 1 1 33 33 TYR CA C 13 61.720 0.30 . 1 . . . . 132 TYR CA . 7089 1 336 . 1 1 33 33 TYR CB C 13 38.860 0.30 . 1 . . . . 132 TYR CB . 7089 1 337 . 1 1 33 33 TYR CD1 C 13 131.100 0.30 . 1 . . . . 132 TYR CD1 . 7089 1 338 . 1 1 33 33 TYR CE1 C 13 116.120 0.30 . 1 . . . . 132 TYR CE1 . 7089 1 339 . 1 1 33 33 TYR N N 15 119.720 0.40 . 1 . . . . 132 TYR N . 7089 1 340 . 1 1 34 34 ALA H H 1 8.080 0.04 . 1 . . . . 133 ALA H . 7089 1 341 . 1 1 34 34 ALA HA H 1 3.920 0.04 . 1 . . . . 133 ALA HA . 7089 1 342 . 1 1 34 34 ALA HB1 H 1 1.500 0.04 . 1 . . . . 133 ALA HB . 7089 1 343 . 1 1 34 34 ALA HB2 H 1 1.500 0.04 . 1 . . . . 133 ALA HB . 7089 1 344 . 1 1 34 34 ALA HB3 H 1 1.500 0.04 . 1 . . . . 133 ALA HB . 7089 1 345 . 1 1 34 34 ALA C C 13 179.400 0.30 . 1 . . . . 133 ALA C . 7089 1 346 . 1 1 34 34 ALA CA C 13 55.720 0.30 . 1 . . . . 133 ALA CA . 7089 1 347 . 1 1 34 34 ALA CB C 13 18.800 0.30 . 1 . . . . 133 ALA CB . 7089 1 348 . 1 1 34 34 ALA N N 15 121.470 0.40 . 1 . . . . 133 ALA N . 7089 1 349 . 1 1 35 35 ILE H H 1 8.090 0.04 . 1 . . . . 134 ILE H . 7089 1 350 . 1 1 35 35 ILE HA H 1 3.530 0.04 . 1 . . . . 134 ILE HA . 7089 1 351 . 1 1 35 35 ILE HB H 1 2.170 0.04 . 1 . . . . 134 ILE HB . 7089 1 352 . 1 1 35 35 ILE HG12 H 1 1.640 0.04 . 2 . . . . 134 ILE HG12 . 7089 1 353 . 1 1 35 35 ILE HG13 H 1 1.500 0.04 . 2 . . . . 134 ILE HG13 . 7089 1 354 . 1 1 35 35 ILE HG21 H 1 0.780 0.04 . 1 . . . . 134 ILE HG2 . 7089 1 355 . 1 1 35 35 ILE HG22 H 1 0.780 0.04 . 1 . . . . 134 ILE HG2 . 7089 1 356 . 1 1 35 35 ILE HG23 H 1 0.780 0.04 . 1 . . . . 134 ILE HG2 . 7089 1 357 . 1 1 35 35 ILE HD11 H 1 0.320 0.04 . 1 . . . . 134 ILE HD1 . 7089 1 358 . 1 1 35 35 ILE HD12 H 1 0.320 0.04 . 1 . . . . 134 ILE HD1 . 7089 1 359 . 1 1 35 35 ILE HD13 H 1 0.320 0.04 . 1 . . . . 134 ILE HD1 . 7089 1 360 . 1 1 35 35 ILE C C 13 177.300 0.30 . 1 . . . . 134 ILE C . 7089 1 361 . 1 1 35 35 ILE CA C 13 62.220 0.30 . 1 . . . . 134 ILE CA . 7089 1 362 . 1 1 35 35 ILE CB C 13 35.740 0.30 . 1 . . . . 134 ILE CB . 7089 1 363 . 1 1 35 35 ILE CG1 C 13 27.600 0.30 . 1 . . . . 134 ILE CG1 . 7089 1 364 . 1 1 35 35 ILE CG2 C 13 19.100 0.30 . 1 . . . . 134 ILE CG2 . 7089 1 365 . 1 1 35 35 ILE N N 15 114.080 0.40 . 1 . . . . 134 ILE N . 7089 1 366 . 1 1 36 36 ARG H H 1 8.290 0.04 . 1 . . . . 135 ARG H . 7089 1 367 . 1 1 36 36 ARG HA H 1 4.130 0.04 . 1 . . . . 135 ARG HA . 7089 1 368 . 1 1 36 36 ARG HB2 H 1 1.780 0.04 . 2 . . . . 135 ARG HB2 . 7089 1 369 . 1 1 36 36 ARG HB3 H 1 2.060 0.04 . 2 . . . . 135 ARG HB3 . 7089 1 370 . 1 1 36 36 ARG HG2 H 1 1.620 0.04 . 2 . . . . 135 ARG HG2 . 7089 1 371 . 1 1 36 36 ARG HG3 H 1 1.520 0.04 . 2 . . . . 135 ARG HG3 . 7089 1 372 . 1 1 36 36 ARG HD2 H 1 3.330 0.04 . 2 . . . . 135 ARG HD2 . 7089 1 373 . 1 1 36 36 ARG C C 13 179.800 0.30 . 1 . . . . 135 ARG C . 7089 1 374 . 1 1 36 36 ARG CA C 13 60.310 0.30 . 1 . . . . 135 ARG CA . 7089 1 375 . 1 1 36 36 ARG CB C 13 30.540 0.30 . 1 . . . . 135 ARG CB . 7089 1 376 . 1 1 36 36 ARG CG C 13 27.200 0.30 . 1 . . . . 135 ARG CG . 7089 1 377 . 1 1 36 36 ARG CD C 13 44.100 0.30 . 1 . . . . 135 ARG CD . 7089 1 378 . 1 1 36 36 ARG N N 15 119.830 0.40 . 1 . . . . 135 ARG N . 7089 1 379 . 1 1 37 37 LYS H H 1 8.550 0.04 . 1 . . . . 136 LYS H . 7089 1 380 . 1 1 37 37 LYS HA H 1 3.910 0.04 . 1 . . . . 136 LYS HA . 7089 1 381 . 1 1 37 37 LYS HB2 H 1 2.270 0.04 . 2 . . . . 136 LYS HB2 . 7089 1 382 . 1 1 37 37 LYS HB3 H 1 2.510 0.04 . 2 . . . . 136 LYS HB3 . 7089 1 383 . 1 1 37 37 LYS HG3 H 1 1.290 0.04 . 2 . . . . 136 LYS HG3 . 7089 1 384 . 1 1 37 37 LYS HD2 H 1 1.540 0.04 . 2 . . . . 136 LYS HD2 . 7089 1 385 . 1 1 37 37 LYS HE3 H 1 2.920 0.04 . 2 . . . . 136 LYS HE3 . 7089 1 386 . 1 1 37 37 LYS C C 13 178.700 0.30 . 1 . . . . 136 LYS C . 7089 1 387 . 1 1 37 37 LYS CA C 13 58.400 0.30 . 1 . . . . 136 LYS CA . 7089 1 388 . 1 1 37 37 LYS CB C 13 31.560 0.30 . 1 . . . . 136 LYS CB . 7089 1 389 . 1 1 37 37 LYS CG C 13 24.700 0.30 . 1 . . . . 136 LYS CG . 7089 1 390 . 1 1 37 37 LYS CD C 13 28.100 0.30 . 1 . . . . 136 LYS CD . 7089 1 391 . 1 1 37 37 LYS CE C 13 41.800 0.30 . 1 . . . . 136 LYS CE . 7089 1 392 . 1 1 37 37 LYS N N 15 119.290 0.40 . 1 . . . . 136 LYS N . 7089 1 393 . 1 1 38 38 ALA H H 1 8.000 0.04 . 1 . . . . 137 ALA H . 7089 1 394 . 1 1 38 38 ALA HA H 1 3.920 0.04 . 1 . . . . 137 ALA HA . 7089 1 395 . 1 1 38 38 ALA HB1 H 1 1.100 0.04 . 1 . . . . 137 ALA HB . 7089 1 396 . 1 1 38 38 ALA HB2 H 1 1.100 0.04 . 1 . . . . 137 ALA HB . 7089 1 397 . 1 1 38 38 ALA HB3 H 1 1.100 0.04 . 1 . . . . 137 ALA HB . 7089 1 398 . 1 1 38 38 ALA C C 13 178.600 0.30 . 1 . . . . 137 ALA C . 7089 1 399 . 1 1 38 38 ALA CA C 13 55.650 0.30 . 1 . . . . 137 ALA CA . 7089 1 400 . 1 1 38 38 ALA CB C 13 19.000 0.30 . 1 . . . . 137 ALA CB . 7089 1 401 . 1 1 38 38 ALA N N 15 123.200 0.40 . 1 . . . . 137 ALA N . 7089 1 402 . 1 1 39 39 PHE H H 1 7.720 0.04 . 1 . . . . 138 PHE H . 7089 1 403 . 1 1 39 39 PHE HA H 1 3.750 0.04 . 1 . . . . 138 PHE HA . 7089 1 404 . 1 1 39 39 PHE HB2 H 1 2.580 0.04 . 2 . . . . 138 PHE HB2 . 7089 1 405 . 1 1 39 39 PHE HB3 H 1 2.270 0.04 . 2 . . . . 138 PHE HB3 . 7089 1 406 . 1 1 39 39 PHE HD1 H 1 5.600 0.04 . 1 . . . . 138 PHE HD1 . 7089 1 407 . 1 1 39 39 PHE HE1 H 1 5.900 0.04 . 1 . . . . 138 PHE HE1 . 7089 1 408 . 1 1 39 39 PHE HZ H 1 6.400 0.04 . 1 . . . . 138 PHE HZ . 7089 1 409 . 1 1 39 39 PHE C C 13 178.700 0.30 . 1 . . . . 138 PHE C . 7089 1 410 . 1 1 39 39 PHE CA C 13 63.890 0.30 . 1 . . . . 138 PHE CA . 7089 1 411 . 1 1 39 39 PHE CB C 13 38.670 0.30 . 1 . . . . 138 PHE CB . 7089 1 412 . 1 1 39 39 PHE CD1 C 13 129.200 0.30 . 1 . . . . 138 PHE CD1 . 7089 1 413 . 1 1 39 39 PHE CE1 C 13 127.800 0.30 . 1 . . . . 138 PHE CE1 . 7089 1 414 . 1 1 39 39 PHE CZ C 13 124.000 0.30 . 1 . . . . 138 PHE CZ . 7089 1 415 . 1 1 39 39 PHE N N 15 113.900 0.40 . 1 . . . . 138 PHE N . 7089 1 416 . 1 1 40 40 GLN H H 1 8.110 0.04 . 1 . . . . 139 GLN H . 7089 1 417 . 1 1 40 40 GLN HA H 1 4.190 0.04 . 1 . . . . 139 GLN HA . 7089 1 418 . 1 1 40 40 GLN HB2 H 1 2.070 0.04 . 2 . . . . 139 GLN HB2 . 7089 1 419 . 1 1 40 40 GLN HB3 H 1 2.280 0.04 . 2 . . . . 139 GLN HB3 . 7089 1 420 . 1 1 40 40 GLN HG2 H 1 2.460 0.04 . 2 . . . . 139 GLN HG2 . 7089 1 421 . 1 1 40 40 GLN HG3 H 1 2.580 0.04 . 2 . . . . 139 GLN HG3 . 7089 1 422 . 1 1 40 40 GLN HE21 H 1 6.920 0.04 . 2 . . . . 139 GLN HE21 . 7089 1 423 . 1 1 40 40 GLN HE22 H 1 7.620 0.04 . 2 . . . . 139 GLN HE22 . 7089 1 424 . 1 1 40 40 GLN C C 13 177.900 0.30 . 1 . . . . 139 GLN C . 7089 1 425 . 1 1 40 40 GLN CA C 13 58.540 0.30 . 1 . . . . 139 GLN CA . 7089 1 426 . 1 1 40 40 GLN CB C 13 28.820 0.30 . 1 . . . . 139 GLN CB . 7089 1 427 . 1 1 40 40 GLN CG C 13 34.100 0.30 . 1 . . . . 139 GLN CG . 7089 1 428 . 1 1 40 40 GLN N N 15 119.100 0.40 . 1 . . . . 139 GLN N . 7089 1 429 . 1 1 40 40 GLN NE2 N 15 112.600 0.40 . 1 . . . . 139 GLN NE2 . 7089 1 430 . 1 1 41 41 VAL H H 1 7.700 0.04 . 1 . . . . 140 VAL H . 7089 1 431 . 1 1 41 41 VAL HA H 1 3.630 0.04 . 1 . . . . 140 VAL HA . 7089 1 432 . 1 1 41 41 VAL HB H 1 2.060 0.04 . 1 . . . . 140 VAL HB . 7089 1 433 . 1 1 41 41 VAL HG11 H 1 1.120 0.04 . 2 . . . . 140 VAL HG1 . 7089 1 434 . 1 1 41 41 VAL HG12 H 1 1.120 0.04 . 2 . . . . 140 VAL HG1 . 7089 1 435 . 1 1 41 41 VAL HG13 H 1 1.120 0.04 . 2 . . . . 140 VAL HG1 . 7089 1 436 . 1 1 41 41 VAL HG21 H 1 0.470 0.04 . 2 . . . . 140 VAL HG2 . 7089 1 437 . 1 1 41 41 VAL HG22 H 1 0.470 0.04 . 2 . . . . 140 VAL HG2 . 7089 1 438 . 1 1 41 41 VAL HG23 H 1 0.470 0.04 . 2 . . . . 140 VAL HG2 . 7089 1 439 . 1 1 41 41 VAL C C 13 178.200 0.30 . 1 . . . . 140 VAL C . 7089 1 440 . 1 1 41 41 VAL CA C 13 66.070 0.30 . 1 . . . . 140 VAL CA . 7089 1 441 . 1 1 41 41 VAL CB C 13 31.300 0.30 . 1 . . . . 140 VAL CB . 7089 1 442 . 1 1 41 41 VAL CG1 C 13 21.700 0.30 . 1 . . . . 140 VAL CG1 . 7089 1 443 . 1 1 41 41 VAL CG2 C 13 23.100 0.30 . 1 . . . . 140 VAL CG2 . 7089 1 444 . 1 1 41 41 VAL N N 15 117.170 0.40 . 1 . . . . 140 VAL N . 7089 1 445 . 1 1 42 42 TRP H H 1 6.730 0.04 . 1 . . . . 141 TRP H . 7089 1 446 . 1 1 42 42 TRP HA H 1 4.370 0.04 . 1 . . . . 141 TRP HA . 7089 1 447 . 1 1 42 42 TRP HB2 H 1 3.190 0.04 . 2 . . . . 141 TRP HB2 . 7089 1 448 . 1 1 42 42 TRP HB3 H 1 3.070 0.04 . 2 . . . . 141 TRP HB3 . 7089 1 449 . 1 1 42 42 TRP HD1 H 1 7.360 0.04 . 1 . . . . 141 TRP HD1 . 7089 1 450 . 1 1 42 42 TRP HE1 H 1 9.920 0.04 . 1 . . . . 141 TRP HE1 . 7089 1 451 . 1 1 42 42 TRP HE3 H 1 6.70 0.04 . 1 . . . . 141 TRP HE3 . 7089 1 452 . 1 1 42 42 TRP HZ2 H 1 6.950 0.04 . 1 . . . . 141 TRP HZ2 . 7089 1 453 . 1 1 42 42 TRP HZ3 H 1 6.870 0.04 . 1 . . . . 141 TRP HZ3 . 7089 1 454 . 1 1 42 42 TRP HH2 H 1 6.380 0.04 . 1 . . . . 141 TRP HH2 . 7089 1 455 . 1 1 42 42 TRP C C 13 180.700 0.30 . 1 . . . . 141 TRP C . 7089 1 456 . 1 1 42 42 TRP CA C 13 58.590 0.30 . 1 . . . . 141 TRP CA . 7089 1 457 . 1 1 42 42 TRP CB C 13 30.420 0.30 . 1 . . . . 141 TRP CB . 7089 1 458 . 1 1 42 42 TRP CD1 C 13 120.700 0.30 . 1 . . . . 141 TRP CD1 . 7089 1 459 . 1 1 42 42 TRP CE3 C 13 119.00 0.30 . 1 . . . . 141 TRP CE3 . 7089 1 460 . 1 1 42 42 TRP CZ2 C 13 114.200 0.30 . 1 . . . . 141 TRP CZ2 . 7089 1 461 . 1 1 42 42 TRP CZ3 C 13 126.00 0.30 . 1 . . . . 141 TRP CZ3 . 7089 1 462 . 1 1 42 42 TRP CH2 C 13 128.00 0.30 . 1 . . . . 141 TRP CH2 . 7089 1 463 . 1 1 42 42 TRP N N 15 116.910 0.40 . 1 . . . . 141 TRP N . 7089 1 464 . 1 1 42 42 TRP NE1 N 15 127.600 0.40 . 1 . . . . 141 TRP NE1 . 7089 1 465 . 1 1 43 43 SER H H 1 9.080 0.04 . 1 . . . . 142 SER H . 7089 1 466 . 1 1 43 43 SER HA H 1 4.370 0.04 . 1 . . . . 142 SER HA . 7089 1 467 . 1 1 43 43 SER HB3 H 1 4.190 0.04 . 2 . . . . 142 SER HB3 . 7089 1 468 . 1 1 43 43 SER C C 13 175.700 0.30 . 1 . . . . 142 SER C . 7089 1 469 . 1 1 43 43 SER CA C 13 61.490 0.30 . 1 . . . . 142 SER CA . 7089 1 470 . 1 1 43 43 SER CB C 13 63.720 0.30 . 1 . . . . 142 SER CB . 7089 1 471 . 1 1 43 43 SER N N 15 118.490 0.40 . 1 . . . . 142 SER N . 7089 1 472 . 1 1 44 44 ASN H H 1 7.970 0.04 . 1 . . . . 143 ASN H . 7089 1 473 . 1 1 44 44 ASN HA H 1 4.730 0.04 . 1 . . . . 143 ASN HA . 7089 1 474 . 1 1 44 44 ASN HB2 H 1 2.990 0.04 . 2 . . . . 143 ASN HB2 . 7089 1 475 . 1 1 44 44 ASN HB3 H 1 2.840 0.04 . 2 . . . . 143 ASN HB3 . 7089 1 476 . 1 1 44 44 ASN HD21 H 1 7.960 0.04 . 2 . . . . 143 ASN HD21 . 7089 1 477 . 1 1 44 44 ASN HD22 H 1 6.910 0.04 . 2 . . . . 143 ASN HD22 . 7089 1 478 . 1 1 44 44 ASN C C 13 176.700 0.30 . 1 . . . . 143 ASN C . 7089 1 479 . 1 1 44 44 ASN CA C 13 55.040 0.30 . 1 . . . . 143 ASN CA . 7089 1 480 . 1 1 44 44 ASN CB C 13 39.210 0.30 . 1 . . . . 143 ASN CB . 7089 1 481 . 1 1 44 44 ASN N N 15 115.220 0.40 . 1 . . . . 143 ASN N . 7089 1 482 . 1 1 44 44 ASN ND2 N 15 114.400 0.40 . 1 . . . . 143 ASN ND2 . 7089 1 483 . 1 1 45 45 VAL H H 1 7.170 0.04 . 1 . . . . 144 VAL H . 7089 1 484 . 1 1 45 45 VAL HA H 1 4.860 0.04 . 1 . . . . 144 VAL HA . 7089 1 485 . 1 1 45 45 VAL HB H 1 2.680 0.04 . 1 . . . . 144 VAL HB . 7089 1 486 . 1 1 45 45 VAL HG11 H 1 1.160 0.04 . 2 . . . . 144 VAL HG1 . 7089 1 487 . 1 1 45 45 VAL HG12 H 1 1.160 0.04 . 2 . . . . 144 VAL HG1 . 7089 1 488 . 1 1 45 45 VAL HG13 H 1 1.160 0.04 . 2 . . . . 144 VAL HG1 . 7089 1 489 . 1 1 45 45 VAL HG21 H 1 0.940 0.04 . 2 . . . . 144 VAL HG2 . 7089 1 490 . 1 1 45 45 VAL HG22 H 1 0.940 0.04 . 2 . . . . 144 VAL HG2 . 7089 1 491 . 1 1 45 45 VAL HG23 H 1 0.940 0.04 . 2 . . . . 144 VAL HG2 . 7089 1 492 . 1 1 45 45 VAL C C 13 174.600 0.30 . 1 . . . . 144 VAL C . 7089 1 493 . 1 1 45 45 VAL CA C 13 60.440 0.30 . 1 . . . . 144 VAL CA . 7089 1 494 . 1 1 45 45 VAL CB C 13 32.940 0.30 . 1 . . . . 144 VAL CB . 7089 1 495 . 1 1 45 45 VAL CG1 C 13 19.200 0.30 . 1 . . . . 144 VAL CG1 . 7089 1 496 . 1 1 45 45 VAL CG2 C 13 21.700 0.30 . 1 . . . . 144 VAL CG2 . 7089 1 497 . 1 1 45 45 VAL N N 15 106.340 0.40 . 1 . . . . 144 VAL N . 7089 1 498 . 1 1 46 46 THR H H 1 7.490 0.04 . 1 . . . . 145 THR H . 7089 1 499 . 1 1 46 46 THR HA H 1 4.370 0.04 . 1 . . . . 145 THR HA . 7089 1 500 . 1 1 46 46 THR HB H 1 4.010 0.04 . 1 . . . . 145 THR HB . 7089 1 501 . 1 1 46 46 THR HG21 H 1 1.450 0.04 . 1 . . . . 145 THR HG2 . 7089 1 502 . 1 1 46 46 THR HG22 H 1 1.450 0.04 . 1 . . . . 145 THR HG2 . 7089 1 503 . 1 1 46 46 THR HG23 H 1 1.450 0.04 . 1 . . . . 145 THR HG2 . 7089 1 504 . 1 1 46 46 THR C C 13 173.400 0.30 . 1 . . . . 145 THR C . 7089 1 505 . 1 1 46 46 THR CA C 13 59.760 0.30 . 1 . . . . 145 THR CA . 7089 1 506 . 1 1 46 46 THR CB C 13 72.630 0.30 . 1 . . . . 145 THR CB . 7089 1 507 . 1 1 46 46 THR N N 15 110.440 0.40 . 1 . . . . 145 THR N . 7089 1 508 . 1 1 47 47 PRO HA H 1 4.370 0.04 . 1 . . . . 146 PRO HA . 7089 1 509 . 1 1 47 47 PRO HB3 H 1 2.740 0.04 . 2 . . . . 146 PRO HB3 . 7089 1 510 . 1 1 47 47 PRO HG2 H 1 2.100 0.04 . 2 . . . . 146 PRO HG2 . 7089 1 511 . 1 1 47 47 PRO HG3 H 1 1.970 0.04 . 2 . . . . 146 PRO HG3 . 7089 1 512 . 1 1 47 47 PRO HD2 H 1 3.310 0.04 . 2 . . . . 146 PRO HD2 . 7089 1 513 . 1 1 47 47 PRO HD3 H 1 3.710 0.04 . 2 . . . . 146 PRO HD3 . 7089 1 514 . 1 1 47 47 PRO C C 13 176.100 0.30 . 1 . . . . 146 PRO C . 7089 1 515 . 1 1 47 47 PRO CA C 13 62.370 0.30 . 1 . . . . 146 PRO CA . 7089 1 516 . 1 1 47 47 PRO CB C 13 31.100 0.30 . 1 . . . . 146 PRO CB . 7089 1 517 . 1 1 47 47 PRO CG C 13 26.800 0.30 . 1 . . . . 146 PRO CG . 7089 1 518 . 1 1 47 47 PRO CD C 13 50.700 0.30 . 1 . . . . 146 PRO CD . 7089 1 519 . 1 1 48 48 LEU H H 1 7.010 0.04 . 1 . . . . 147 LEU H . 7089 1 520 . 1 1 48 48 LEU HA H 1 4.140 0.04 . 1 . . . . 147 LEU HA . 7089 1 521 . 1 1 48 48 LEU HB2 H 1 1.440 0.04 . 2 . . . . 147 LEU HB2 . 7089 1 522 . 1 1 48 48 LEU HB3 H 1 1.330 0.04 . 2 . . . . 147 LEU HB3 . 7089 1 523 . 1 1 48 48 LEU HG H 1 1.100 0.04 . 1 . . . . 147 LEU HG . 7089 1 524 . 1 1 48 48 LEU HD11 H 1 0.470 0.04 . 2 . . . . 147 LEU HD1 . 7089 1 525 . 1 1 48 48 LEU HD12 H 1 0.470 0.04 . 2 . . . . 147 LEU HD1 . 7089 1 526 . 1 1 48 48 LEU HD13 H 1 0.470 0.04 . 2 . . . . 147 LEU HD1 . 7089 1 527 . 1 1 48 48 LEU HD21 H 1 0.270 0.04 . 2 . . . . 147 LEU HD2 . 7089 1 528 . 1 1 48 48 LEU HD22 H 1 0.270 0.04 . 2 . . . . 147 LEU HD2 . 7089 1 529 . 1 1 48 48 LEU HD23 H 1 0.270 0.04 . 2 . . . . 147 LEU HD2 . 7089 1 530 . 1 1 48 48 LEU C C 13 176.300 0.30 . 1 . . . . 147 LEU C . 7089 1 531 . 1 1 48 48 LEU CA C 13 54.930 0.30 . 1 . . . . 147 LEU CA . 7089 1 532 . 1 1 48 48 LEU CB C 13 43.230 0.30 . 1 . . . . 147 LEU CB . 7089 1 533 . 1 1 48 48 LEU CG C 13 27.400 0.30 . 1 . . . . 147 LEU CG . 7089 1 534 . 1 1 48 48 LEU CD1 C 13 22.000 0.30 . 1 . . . . 147 LEU CD1 . 7089 1 535 . 1 1 48 48 LEU CD2 C 13 25.200 0.30 . 1 . . . . 147 LEU CD2 . 7089 1 536 . 1 1 48 48 LEU N N 15 116.360 0.40 . 1 . . . . 147 LEU N . 7089 1 537 . 1 1 49 49 LYS H H 1 8.250 0.04 . 1 . . . . 148 LYS H . 7089 1 538 . 1 1 49 49 LYS HA H 1 4.270 0.04 . 1 . . . . 148 LYS HA . 7089 1 539 . 1 1 49 49 LYS HB3 H 1 1.620 0.04 . 2 . . . . 148 LYS HB3 . 7089 1 540 . 1 1 49 49 LYS HG3 H 1 1.270 0.04 . 2 . . . . 148 LYS HG3 . 7089 1 541 . 1 1 49 49 LYS HD3 H 1 1.390 0.04 . 2 . . . . 148 LYS HD3 . 7089 1 542 . 1 1 49 49 LYS HE3 H 1 3.310 0.04 . 2 . . . . 148 LYS HE3 . 7089 1 543 . 1 1 49 49 LYS C C 13 175.500 0.30 . 1 . . . . 148 LYS C . 7089 1 544 . 1 1 49 49 LYS CA C 13 54.300 0.30 . 1 . . . . 148 LYS CA . 7089 1 545 . 1 1 49 49 LYS CB C 13 35.400 0.30 . 1 . . . . 148 LYS CB . 7089 1 546 . 1 1 49 49 LYS CG C 13 24.700 0.30 . 1 . . . . 148 LYS CG . 7089 1 547 . 1 1 49 49 LYS CD C 13 28.900 0.30 . 1 . . . . 148 LYS CD . 7089 1 548 . 1 1 49 49 LYS CE C 13 42.500 0.30 . 1 . . . . 148 LYS CE . 7089 1 549 . 1 1 49 49 LYS N N 15 122.800 0.40 . 1 . . . . 148 LYS N . 7089 1 550 . 1 1 50 50 PHE H H 1 8.240 0.04 . 1 . . . . 149 PHE H . 7089 1 551 . 1 1 50 50 PHE HA H 1 5.700 0.04 . 1 . . . . 149 PHE HA . 7089 1 552 . 1 1 50 50 PHE HB2 H 1 2.530 0.04 . 2 . . . . 149 PHE HB2 . 7089 1 553 . 1 1 50 50 PHE HB3 H 1 2.210 0.04 . 2 . . . . 149 PHE HB3 . 7089 1 554 . 1 1 50 50 PHE HD1 H 1 7.160 0.04 . 1 . . . . 149 PHE HD1 . 7089 1 555 . 1 1 50 50 PHE HE1 H 1 7.040 0.04 . 1 . . . . 149 PHE HE1 . 7089 1 556 . 1 1 50 50 PHE HZ H 1 6.800 0.04 . 1 . . . . 149 PHE HZ . 7089 1 557 . 1 1 50 50 PHE C C 13 176.600 0.30 . 1 . . . . 149 PHE C . 7089 1 558 . 1 1 50 50 PHE CA C 13 55.700 0.30 . 1 . . . . 149 PHE CA . 7089 1 559 . 1 1 50 50 PHE CB C 13 42.070 0.30 . 1 . . . . 149 PHE CB . 7089 1 560 . 1 1 50 50 PHE CD1 C 13 131.400 0.30 . 1 . . . . 149 PHE CD1 . 7089 1 561 . 1 1 50 50 PHE CE1 C 13 130.300 0.30 . 1 . . . . 149 PHE CE1 . 7089 1 562 . 1 1 50 50 PHE CZ C 13 126.600 0.30 . 1 . . . . 149 PHE CZ . 7089 1 563 . 1 1 50 50 PHE N N 15 119.370 0.40 . 1 . . . . 149 PHE N . 7089 1 564 . 1 1 51 51 SER H H 1 8.100 0.04 . 1 . . . . 150 SER H . 7089 1 565 . 1 1 51 51 SER HA H 1 4.620 0.04 . 1 . . . . 150 SER HA . 7089 1 566 . 1 1 51 51 SER HB2 H 1 3.540 0.04 . 2 . . . . 150 SER HB2 . 7089 1 567 . 1 1 51 51 SER HB3 H 1 3.430 0.04 . 2 . . . . 150 SER HB3 . 7089 1 568 . 1 1 51 51 SER C C 13 171.100 0.30 . 1 . . . . 150 SER C . 7089 1 569 . 1 1 51 51 SER CA C 13 56.870 0.30 . 1 . . . . 150 SER CA . 7089 1 570 . 1 1 51 51 SER CB C 13 65.800 0.30 . 1 . . . . 150 SER CB . 7089 1 571 . 1 1 51 51 SER N N 15 116.770 0.40 . 1 . . . . 150 SER N . 7089 1 572 . 1 1 52 52 LYS H H 1 8.150 0.04 . 1 . . . . 151 LYS H . 7089 1 573 . 1 1 52 52 LYS HA H 1 4.590 0.04 . 1 . . . . 151 LYS HA . 7089 1 574 . 1 1 52 52 LYS HB2 H 1 1.510 0.04 . 2 . . . . 151 LYS HB2 . 7089 1 575 . 1 1 52 52 LYS HB3 H 1 1.420 0.04 . 2 . . . . 151 LYS HB3 . 7089 1 576 . 1 1 52 52 LYS HG3 H 1 1.120 0.04 . 2 . . . . 151 LYS HG3 . 7089 1 577 . 1 1 52 52 LYS HD2 H 1 1.780 0.04 . 2 . . . . 151 LYS HD2 . 7089 1 578 . 1 1 52 52 LYS HE3 H 1 3.040 0.04 . 2 . . . . 151 LYS HE3 . 7089 1 579 . 1 1 52 52 LYS C C 13 176.600 0.30 . 1 . . . . 151 LYS C . 7089 1 580 . 1 1 52 52 LYS CA C 13 55.500 0.30 . 1 . . . . 151 LYS CA . 7089 1 581 . 1 1 52 52 LYS CB C 13 33.440 0.30 . 1 . . . . 151 LYS CB . 7089 1 582 . 1 1 52 52 LYS CG C 13 25.000 0.30 . 1 . . . . 151 LYS CG . 7089 1 583 . 1 1 52 52 LYS CD C 13 30.100 0.30 . 1 . . . . 151 LYS CD . 7089 1 584 . 1 1 52 52 LYS CE C 13 40.500 0.30 . 1 . . . . 151 LYS CE . 7089 1 585 . 1 1 52 52 LYS N N 15 127.660 0.40 . 1 . . . . 151 LYS N . 7089 1 586 . 1 1 53 53 ILE H H 1 8.750 0.04 . 1 . . . . 152 ILE H . 7089 1 587 . 1 1 53 53 ILE HA H 1 4.640 0.04 . 1 . . . . 152 ILE HA . 7089 1 588 . 1 1 53 53 ILE HB H 1 1.930 0.04 . 1 . . . . 152 ILE HB . 7089 1 589 . 1 1 53 53 ILE HG12 H 1 1.630 0.04 . 2 . . . . 152 ILE HG12 . 7089 1 590 . 1 1 53 53 ILE HG13 H 1 1.120 0.04 . 2 . . . . 152 ILE HG13 . 7089 1 591 . 1 1 53 53 ILE HG21 H 1 0.920 0.04 . 1 . . . . 152 ILE HG2 . 7089 1 592 . 1 1 53 53 ILE HG22 H 1 0.920 0.04 . 1 . . . . 152 ILE HG2 . 7089 1 593 . 1 1 53 53 ILE HG23 H 1 0.920 0.04 . 1 . . . . 152 ILE HG2 . 7089 1 594 . 1 1 53 53 ILE HD11 H 1 0.800 0.04 . 1 . . . . 152 ILE HD1 . 7089 1 595 . 1 1 53 53 ILE HD12 H 1 0.800 0.04 . 1 . . . . 152 ILE HD1 . 7089 1 596 . 1 1 53 53 ILE HD13 H 1 0.800 0.04 . 1 . . . . 152 ILE HD1 . 7089 1 597 . 1 1 53 53 ILE C C 13 175.400 0.30 . 1 . . . . 152 ILE C . 7089 1 598 . 1 1 53 53 ILE CA C 13 59.030 0.30 . 1 . . . . 152 ILE CA . 7089 1 599 . 1 1 53 53 ILE CB C 13 38.300 0.30 . 1 . . . . 152 ILE CB . 7089 1 600 . 1 1 53 53 ILE CG1 C 13 32.700 0.30 . 1 . . . . 152 ILE CG1 . 7089 1 601 . 1 1 53 53 ILE CG2 C 13 17.300 0.30 . 1 . . . . 152 ILE CG2 . 7089 1 602 . 1 1 53 53 ILE N N 15 123.710 0.40 . 1 . . . . 152 ILE N . 7089 1 603 . 1 1 54 54 ASN H H 1 8.840 0.04 . 1 . . . . 153 ASN H . 7089 1 604 . 1 1 54 54 ASN HA H 1 4.100 0.04 . 1 . . . . 153 ASN HA . 7089 1 605 . 1 1 54 54 ASN HB2 H 1 2.910 0.04 . 2 . . . . 153 ASN HB2 . 7089 1 606 . 1 1 54 54 ASN HB3 H 1 2.720 0.04 . 2 . . . . 153 ASN HB3 . 7089 1 607 . 1 1 54 54 ASN HD21 H 1 7.930 0.04 . 2 . . . . 153 ASN HD21 . 7089 1 608 . 1 1 54 54 ASN HD22 H 1 6.670 0.04 . 2 . . . . 153 ASN HD22 . 7089 1 609 . 1 1 54 54 ASN C C 13 175.100 0.30 . 1 . . . . 153 ASN C . 7089 1 610 . 1 1 54 54 ASN CA C 13 53.850 0.30 . 1 . . . . 153 ASN CA . 7089 1 611 . 1 1 54 54 ASN CB C 13 40.200 0.30 . 1 . . . . 153 ASN CB . 7089 1 612 . 1 1 54 54 ASN N N 15 119.440 0.40 . 1 . . . . 153 ASN N . 7089 1 613 . 1 1 54 54 ASN ND2 N 15 110.000 0.40 . 1 . . . . 153 ASN ND2 . 7089 1 614 . 1 1 55 55 THR H H 1 7.480 0.04 . 1 . . . . 154 THR H . 7089 1 615 . 1 1 55 55 THR HA H 1 4.750 0.04 . 1 . . . . 154 THR HA . 7089 1 616 . 1 1 55 55 THR HB H 1 4.400 0.04 . 1 . . . . 154 THR HB . 7089 1 617 . 1 1 55 55 THR HG21 H 1 1.110 0.04 . 1 . . . . 154 THR HG2 . 7089 1 618 . 1 1 55 55 THR HG22 H 1 1.110 0.04 . 1 . . . . 154 THR HG2 . 7089 1 619 . 1 1 55 55 THR HG23 H 1 1.110 0.04 . 1 . . . . 154 THR HG2 . 7089 1 620 . 1 1 55 55 THR C C 13 172.600 0.30 . 1 . . . . 154 THR C . 7089 1 621 . 1 1 55 55 THR CA C 13 60.430 0.30 . 1 . . . . 154 THR CA . 7089 1 622 . 1 1 55 55 THR CB C 13 70.900 0.30 . 1 . . . . 154 THR CB . 7089 1 623 . 1 1 55 55 THR CG2 C 13 20.800 0.30 . 1 . . . . 154 THR CG2 . 7089 1 624 . 1 1 55 55 THR N N 15 111.660 0.40 . 1 . . . . 154 THR N . 7089 1 625 . 1 1 56 56 GLY H H 1 8.300 0.04 . 1 . . . . 155 GLY H . 7089 1 626 . 1 1 56 56 GLY HA2 H 1 4.150 0.04 . 2 . . . . 155 GLY HA2 . 7089 1 627 . 1 1 56 56 GLY HA3 H 1 3.750 0.04 . 2 . . . . 155 GLY HA3 . 7089 1 628 . 1 1 56 56 GLY C C 13 175.600 0.30 . 1 . . . . 155 GLY C . 7089 1 629 . 1 1 56 56 GLY CA C 13 44.210 0.30 . 1 . . . . 155 GLY CA . 7089 1 630 . 1 1 56 56 GLY N N 15 109.870 0.40 . 1 . . . . 155 GLY N . 7089 1 631 . 1 1 57 57 MET H H 1 8.280 0.04 . 1 . . . . 156 MET H . 7089 1 632 . 1 1 57 57 MET HA H 1 4.440 0.04 . 1 . . . . 156 MET HA . 7089 1 633 . 1 1 57 57 MET HB2 H 1 2.090 0.04 . 2 . . . . 156 MET HB2 . 7089 1 634 . 1 1 57 57 MET HB3 H 1 1.920 0.04 . 2 . . . . 156 MET HB3 . 7089 1 635 . 1 1 57 57 MET HG3 H 1 2.530 0.04 . 2 . . . . 156 MET HG3 . 7089 1 636 . 1 1 57 57 MET HE1 H 1 1.970 0.04 . 1 . . . . 156 MET HE . 7089 1 637 . 1 1 57 57 MET HE2 H 1 1.970 0.04 . 1 . . . . 156 MET HE . 7089 1 638 . 1 1 57 57 MET HE3 H 1 1.970 0.04 . 1 . . . . 156 MET HE . 7089 1 639 . 1 1 57 57 MET C C 13 175.000 0.30 . 1 . . . . 156 MET C . 7089 1 640 . 1 1 57 57 MET CA C 13 55.300 0.30 . 1 . . . . 156 MET CA . 7089 1 641 . 1 1 57 57 MET CB C 13 31.700 0.30 . 1 . . . . 156 MET CB . 7089 1 642 . 1 1 57 57 MET CG C 13 30.200 0.30 . 1 . . . . 156 MET CG . 7089 1 643 . 1 1 57 57 MET CE C 13 20.800 0.30 . 1 . . . . 156 MET CE . 7089 1 644 . 1 1 57 57 MET N N 15 119.190 0.40 . 1 . . . . 156 MET N . 7089 1 645 . 1 1 58 58 ALA H H 1 7.950 0.04 . 1 . . . . 157 ALA H . 7089 1 646 . 1 1 58 58 ALA HA H 1 4.550 0.04 . 1 . . . . 157 ALA HA . 7089 1 647 . 1 1 58 58 ALA HB1 H 1 0.960 0.04 . 1 . . . . 157 ALA HB . 7089 1 648 . 1 1 58 58 ALA HB2 H 1 0.960 0.04 . 1 . . . . 157 ALA HB . 7089 1 649 . 1 1 58 58 ALA HB3 H 1 0.960 0.04 . 1 . . . . 157 ALA HB . 7089 1 650 . 1 1 58 58 ALA C C 13 176.500 0.30 . 1 . . . . 157 ALA C . 7089 1 651 . 1 1 58 58 ALA CA C 13 50.080 0.30 . 1 . . . . 157 ALA CA . 7089 1 652 . 1 1 58 58 ALA CB C 13 22.600 0.30 . 1 . . . . 157 ALA CB . 7089 1 653 . 1 1 58 58 ALA N N 15 127.230 0.40 . 1 . . . . 157 ALA N . 7089 1 654 . 1 1 59 59 ASP H H 1 8.110 0.04 . 1 . . . . 158 ASP H . 7089 1 655 . 1 1 59 59 ASP HA H 1 4.540 0.04 . 1 . . . . 158 ASP HA . 7089 1 656 . 1 1 59 59 ASP HB2 H 1 3.070 0.04 . 2 . . . . 158 ASP HB2 . 7089 1 657 . 1 1 59 59 ASP C C 13 177.100 0.30 . 1 . . . . 158 ASP C . 7089 1 658 . 1 1 59 59 ASP CA C 13 58.070 0.30 . 1 . . . . 158 ASP CA . 7089 1 659 . 1 1 59 59 ASP CB C 13 41.700 0.30 . 1 . . . . 158 ASP CB . 7089 1 660 . 1 1 59 59 ASP N N 15 121.540 0.40 . 1 . . . . 158 ASP N . 7089 1 661 . 1 1 60 60 ILE H H 1 8.870 0.04 . 1 . . . . 159 ILE H . 7089 1 662 . 1 1 60 60 ILE HA H 1 4.220 0.04 . 1 . . . . 159 ILE HA . 7089 1 663 . 1 1 60 60 ILE HB H 1 2.300 0.04 . 1 . . . . 159 ILE HB . 7089 1 664 . 1 1 60 60 ILE HG12 H 1 1.460 0.04 . 2 . . . . 159 ILE HG12 . 7089 1 665 . 1 1 60 60 ILE HG13 H 1 1.870 0.04 . 2 . . . . 159 ILE HG13 . 7089 1 666 . 1 1 60 60 ILE HG21 H 1 1.140 0.04 . 1 . . . . 159 ILE HG2 . 7089 1 667 . 1 1 60 60 ILE HG22 H 1 1.140 0.04 . 1 . . . . 159 ILE HG2 . 7089 1 668 . 1 1 60 60 ILE HG23 H 1 1.140 0.04 . 1 . . . . 159 ILE HG2 . 7089 1 669 . 1 1 60 60 ILE HD11 H 1 0.960 0.04 . 1 . . . . 159 ILE HD1 . 7089 1 670 . 1 1 60 60 ILE HD12 H 1 0.960 0.04 . 1 . . . . 159 ILE HD1 . 7089 1 671 . 1 1 60 60 ILE HD13 H 1 0.960 0.04 . 1 . . . . 159 ILE HD1 . 7089 1 672 . 1 1 60 60 ILE C C 13 173.200 0.30 . 1 . . . . 159 ILE C . 7089 1 673 . 1 1 60 60 ILE CA C 13 61.830 0.30 . 1 . . . . 159 ILE CA . 7089 1 674 . 1 1 60 60 ILE CB C 13 37.800 0.30 . 1 . . . . 159 ILE CB . 7089 1 675 . 1 1 60 60 ILE CG2 C 13 19.200 0.30 . 1 . . . . 159 ILE CG2 . 7089 1 676 . 1 1 60 60 ILE CD1 C 13 13.300 0.30 . 1 . . . . 159 ILE CD1 . 7089 1 677 . 1 1 60 60 ILE N N 15 124.130 0.40 . 1 . . . . 159 ILE N . 7089 1 678 . 1 1 61 61 LEU H H 1 7.690 0.04 . 1 . . . . 160 LEU H . 7089 1 679 . 1 1 61 61 LEU HA H 1 5.080 0.04 . 1 . . . . 160 LEU HA . 7089 1 680 . 1 1 61 61 LEU HB3 H 1 1.720 0.04 . 2 . . . . 160 LEU HB3 . 7089 1 681 . 1 1 61 61 LEU HG H 1 1.460 0.04 . 1 . . . . 160 LEU HG . 7089 1 682 . 1 1 61 61 LEU HD11 H 1 0.990 0.04 . 2 . . . . 160 LEU HD1 . 7089 1 683 . 1 1 61 61 LEU HD12 H 1 0.990 0.04 . 2 . . . . 160 LEU HD1 . 7089 1 684 . 1 1 61 61 LEU HD13 H 1 0.990 0.04 . 2 . . . . 160 LEU HD1 . 7089 1 685 . 1 1 61 61 LEU HD21 H 1 1.140 0.04 . 2 . . . . 160 LEU HD2 . 7089 1 686 . 1 1 61 61 LEU HD22 H 1 1.140 0.04 . 2 . . . . 160 LEU HD2 . 7089 1 687 . 1 1 61 61 LEU HD23 H 1 1.140 0.04 . 2 . . . . 160 LEU HD2 . 7089 1 688 . 1 1 61 61 LEU C C 13 175.700 0.30 . 1 . . . . 160 LEU C . 7089 1 689 . 1 1 61 61 LEU CA C 13 53.540 0.30 . 1 . . . . 160 LEU CA . 7089 1 690 . 1 1 61 61 LEU CB C 13 43.600 0.30 . 1 . . . . 160 LEU CB . 7089 1 691 . 1 1 61 61 LEU CG C 13 24.900 0.30 . 1 . . . . 160 LEU CG . 7089 1 692 . 1 1 61 61 LEU CD1 C 13 24.200 0.30 . 1 . . . . 160 LEU CD1 . 7089 1 693 . 1 1 61 61 LEU CD2 C 13 20.300 0.30 . 1 . . . . 160 LEU CD2 . 7089 1 694 . 1 1 61 61 LEU N N 15 130.080 0.40 . 1 . . . . 160 LEU N . 7089 1 695 . 1 1 62 62 VAL H H 1 8.790 0.04 . 1 . . . . 161 VAL H . 7089 1 696 . 1 1 62 62 VAL HA H 1 5.220 0.04 . 1 . . . . 161 VAL HA . 7089 1 697 . 1 1 62 62 VAL HB H 1 2.180 0.04 . 1 . . . . 161 VAL HB . 7089 1 698 . 1 1 62 62 VAL HG11 H 1 0.880 0.04 . 2 . . . . 161 VAL HG1 . 7089 1 699 . 1 1 62 62 VAL HG12 H 1 0.880 0.04 . 2 . . . . 161 VAL HG1 . 7089 1 700 . 1 1 62 62 VAL HG13 H 1 0.880 0.04 . 2 . . . . 161 VAL HG1 . 7089 1 701 . 1 1 62 62 VAL HG21 H 1 0.750 0.04 . 2 . . . . 161 VAL HG2 . 7089 1 702 . 1 1 62 62 VAL HG22 H 1 0.750 0.04 . 2 . . . . 161 VAL HG2 . 7089 1 703 . 1 1 62 62 VAL HG23 H 1 0.750 0.04 . 2 . . . . 161 VAL HG2 . 7089 1 704 . 1 1 62 62 VAL C C 13 175.200 0.30 . 1 . . . . 161 VAL C . 7089 1 705 . 1 1 62 62 VAL CA C 13 61.830 0.30 . 1 . . . . 161 VAL CA . 7089 1 706 . 1 1 62 62 VAL CB C 13 30.600 0.30 . 1 . . . . 161 VAL CB . 7089 1 707 . 1 1 62 62 VAL CG1 C 13 20.300 0.30 . 1 . . . . 161 VAL CG1 . 7089 1 708 . 1 1 62 62 VAL CG2 C 13 20.500 0.30 . 1 . . . . 161 VAL CG2 . 7089 1 709 . 1 1 62 62 VAL N N 15 125.500 0.40 . 1 . . . . 161 VAL N . 7089 1 710 . 1 1 63 63 VAL H H 1 8.630 0.04 . 1 . . . . 162 VAL H . 7089 1 711 . 1 1 63 63 VAL HA H 1 4.570 0.04 . 1 . . . . 162 VAL HA . 7089 1 712 . 1 1 63 63 VAL HB H 1 1.720 0.04 . 1 . . . . 162 VAL HB . 7089 1 713 . 1 1 63 63 VAL HG11 H 1 0.870 0.04 . 2 . . . . 162 VAL HG1 . 7089 1 714 . 1 1 63 63 VAL HG12 H 1 0.870 0.04 . 2 . . . . 162 VAL HG1 . 7089 1 715 . 1 1 63 63 VAL HG13 H 1 0.870 0.04 . 2 . . . . 162 VAL HG1 . 7089 1 716 . 1 1 63 63 VAL HG21 H 1 0.730 0.04 . 2 . . . . 162 VAL HG2 . 7089 1 717 . 1 1 63 63 VAL HG22 H 1 0.730 0.04 . 2 . . . . 162 VAL HG2 . 7089 1 718 . 1 1 63 63 VAL HG23 H 1 0.730 0.04 . 2 . . . . 162 VAL HG2 . 7089 1 719 . 1 1 63 63 VAL C C 13 174.800 0.30 . 1 . . . . 162 VAL C . 7089 1 720 . 1 1 63 63 VAL CA C 13 60.720 0.30 . 1 . . . . 162 VAL CA . 7089 1 721 . 1 1 63 63 VAL CB C 13 37.880 0.30 . 1 . . . . 162 VAL CB . 7089 1 722 . 1 1 63 63 VAL CG1 C 13 20.900 0.30 . 1 . . . . 162 VAL CG1 . 7089 1 723 . 1 1 63 63 VAL CG2 C 13 20.900 0.30 . 1 . . . . 162 VAL CG2 . 7089 1 724 . 1 1 63 63 VAL N N 15 126.840 0.40 . 1 . . . . 162 VAL N . 7089 1 725 . 1 1 64 64 PHE H H 1 8.580 0.04 . 1 . . . . 163 PHE H . 7089 1 726 . 1 1 64 64 PHE HA H 1 5.370 0.04 . 1 . . . . 163 PHE HA . 7089 1 727 . 1 1 64 64 PHE HB2 H 1 2.740 0.04 . 2 . . . . 163 PHE HB2 . 7089 1 728 . 1 1 64 64 PHE HB3 H 1 3.050 0.04 . 2 . . . . 163 PHE HB3 . 7089 1 729 . 1 1 64 64 PHE HD1 H 1 6.970 0.04 . 1 . . . . 163 PHE HD1 . 7089 1 730 . 1 1 64 64 PHE HE1 H 1 6.500 0.04 . 1 . . . . 163 PHE HE1 . 7089 1 731 . 1 1 64 64 PHE HZ H 1 6.060 0.04 . 1 . . . . 163 PHE HZ . 7089 1 732 . 1 1 64 64 PHE C C 13 176.100 0.30 . 1 . . . . 163 PHE C . 7089 1 733 . 1 1 64 64 PHE CA C 13 57.220 0.30 . 1 . . . . 163 PHE CA . 7089 1 734 . 1 1 64 64 PHE CB C 13 41.030 0.30 . 1 . . . . 163 PHE CB . 7089 1 735 . 1 1 64 64 PHE CD1 C 13 131.500 0.30 . 1 . . . . 163 PHE CD1 . 7089 1 736 . 1 1 64 64 PHE CE1 C 13 129.500 0.30 . 1 . . . . 163 PHE CE1 . 7089 1 737 . 1 1 64 64 PHE CZ C 13 127.200 0.30 . 1 . . . . 163 PHE CZ . 7089 1 738 . 1 1 64 64 PHE N N 15 125.680 0.40 . 1 . . . . 163 PHE N . 7089 1 739 . 1 1 65 65 ALA H H 1 9.110 0.04 . 1 . . . . 164 ALA H . 7089 1 740 . 1 1 65 65 ALA HA H 1 4.830 0.04 . 1 . . . . 164 ALA HA . 7089 1 741 . 1 1 65 65 ALA HB1 H 1 0.910 0.04 . 1 . . . . 164 ALA HB . 7089 1 742 . 1 1 65 65 ALA HB2 H 1 0.910 0.04 . 1 . . . . 164 ALA HB . 7089 1 743 . 1 1 65 65 ALA HB3 H 1 0.910 0.04 . 1 . . . . 164 ALA HB . 7089 1 744 . 1 1 65 65 ALA C C 13 174.800 0.30 . 1 . . . . 164 ALA C . 7089 1 745 . 1 1 65 65 ALA CA C 13 51.390 0.30 . 1 . . . . 164 ALA CA . 7089 1 746 . 1 1 65 65 ALA CB C 13 22.900 0.30 . 1 . . . . 164 ALA CB . 7089 1 747 . 1 1 65 65 ALA N N 15 126.020 0.40 . 1 . . . . 164 ALA N . 7089 1 748 . 1 1 66 66 ARG H H 1 8.840 0.04 . 1 . . . . 165 ARG H . 7089 1 749 . 1 1 66 66 ARG HA H 1 5.260 0.04 . 1 . . . . 165 ARG HA . 7089 1 750 . 1 1 66 66 ARG HB2 H 1 1.920 0.04 . 2 . . . . 165 ARG HB2 . 7089 1 751 . 1 1 66 66 ARG HG3 H 1 1.630 0.04 . 2 . . . . 165 ARG HG3 . 7089 1 752 . 1 1 66 66 ARG HD2 H 1 3.090 0.04 . 2 . . . . 165 ARG HD2 . 7089 1 753 . 1 1 66 66 ARG C C 13 175.700 0.30 . 1 . . . . 165 ARG C . 7089 1 754 . 1 1 66 66 ARG CA C 13 54.200 0.30 . 1 . . . . 165 ARG CA . 7089 1 755 . 1 1 66 66 ARG CB C 13 34.170 0.30 . 1 . . . . 165 ARG CB . 7089 1 756 . 1 1 66 66 ARG CG C 13 26.100 0.30 . 1 . . . . 165 ARG CG . 7089 1 757 . 1 1 66 66 ARG CD C 13 43.400 0.30 . 1 . . . . 165 ARG CD . 7089 1 758 . 1 1 66 66 ARG N N 15 118.190 0.40 . 1 . . . . 165 ARG N . 7089 1 759 . 1 1 67 67 GLY H H 1 9.530 0.04 . 1 . . . . 166 GLY H . 7089 1 760 . 1 1 67 67 GLY HA2 H 1 3.790 0.04 . 2 . . . . 166 GLY HA2 . 7089 1 761 . 1 1 67 67 GLY HA3 H 1 3.910 0.04 . 2 . . . . 166 GLY HA3 . 7089 1 762 . 1 1 67 67 GLY C C 13 175.500 0.30 . 1 . . . . 166 GLY C . 7089 1 763 . 1 1 67 67 GLY CA C 13 46.660 0.30 . 1 . . . . 166 GLY CA . 7089 1 764 . 1 1 67 67 GLY N N 15 108.410 0.40 . 1 . . . . 166 GLY N . 7089 1 765 . 1 1 68 68 ALA H H 1 9.210 0.04 . 1 . . . . 167 ALA H . 7089 1 766 . 1 1 68 68 ALA HA H 1 4.760 0.04 . 1 . . . . 167 ALA HA . 7089 1 767 . 1 1 68 68 ALA HB1 H 1 1.470 0.04 . 1 . . . . 167 ALA HB . 7089 1 768 . 1 1 68 68 ALA HB2 H 1 1.470 0.04 . 1 . . . . 167 ALA HB . 7089 1 769 . 1 1 68 68 ALA HB3 H 1 1.470 0.04 . 1 . . . . 167 ALA HB . 7089 1 770 . 1 1 68 68 ALA CA C 13 53.340 0.30 . 1 . . . . 167 ALA CA . 7089 1 771 . 1 1 68 68 ALA CB C 13 18.200 0.30 . 1 . . . . 167 ALA CB . 7089 1 772 . 1 1 68 68 ALA N N 15 134.120 0.40 . 1 . . . . 167 ALA N . 7089 1 773 . 1 1 69 69 HIS H H 1 9.330 0.04 . 1 . . . . 168 HIS H . 7089 1 774 . 1 1 69 69 HIS HA H 1 4.760 0.04 . 1 . . . . 168 HIS HA . 7089 1 775 . 1 1 69 69 HIS HB2 H 1 3.440 0.04 . 2 . . . . 168 HIS HB2 . 7089 1 776 . 1 1 69 69 HIS HB3 H 1 3.170 0.04 . 2 . . . . 168 HIS HB3 . 7089 1 777 . 1 1 69 69 HIS HD2 H 1 6.400 0.04 . 1 . . . . 168 HIS HD2 . 7089 1 778 . 1 1 69 69 HIS HE1 H 1 6.820 0.04 . 1 . . . . 168 HIS HE1 . 7089 1 779 . 1 1 69 69 HIS CD2 C 13 124.000 0.30 . 1 . . . . 168 HIS CD2 . 7089 1 780 . 1 1 69 69 HIS CE1 C 13 137.600 0.30 . 1 . . . . 168 HIS CE1 . 7089 1 781 . 1 1 69 69 HIS N N 15 120.790 0.40 . 1 . . . . 168 HIS N . 7089 1 782 . 1 1 70 70 GLY H H 1 8.600 0.04 . 1 . . . . 169 GLY H . 7089 1 783 . 1 1 70 70 GLY HA2 H 1 3.330 0.04 . 2 . . . . 169 GLY HA2 . 7089 1 784 . 1 1 70 70 GLY HA3 H 1 3.690 0.04 . 2 . . . . 169 GLY HA3 . 7089 1 785 . 1 1 70 70 GLY CA C 13 45.210 0.30 . 1 . . . . 169 GLY CA . 7089 1 786 . 1 1 70 70 GLY N N 15 106.010 0.40 . 1 . . . . 169 GLY N . 7089 1 787 . 1 1 71 71 ASP H H 1 8.150 0.04 . 1 . . . . 170 ASP H . 7089 1 788 . 1 1 71 71 ASP HA H 1 4.250 0.04 . 1 . . . . 170 ASP HA . 7089 1 789 . 1 1 71 71 ASP HB2 H 1 3.07 0.04 . 2 . . . . 170 ASP HB2 . 7089 1 790 . 1 1 71 71 ASP HB3 H 1 2.93 0.04 . 2 . . . . 170 ASP HB3 . 7089 1 791 . 1 1 71 71 ASP C C 13 176.300 0.30 . 1 . . . . 170 ASP C . 7089 1 792 . 1 1 71 71 ASP CA C 13 54.690 0.30 . 1 . . . . 170 ASP CA . 7089 1 793 . 1 1 71 71 ASP CB C 13 42.800 0.30 . 1 . . . . 170 ASP CB . 7089 1 794 . 1 1 71 71 ASP N N 15 120.950 0.40 . 1 . . . . 170 ASP N . 7089 1 795 . 1 1 72 72 PHE H H 1 8.220 0.04 . 1 . . . . 171 PHE H . 7089 1 796 . 1 1 72 72 PHE HA H 1 4.170 0.04 . 1 . . . . 171 PHE HA . 7089 1 797 . 1 1 72 72 PHE HB2 H 1 2.810 0.04 . 2 . . . . 171 PHE HB2 . 7089 1 798 . 1 1 72 72 PHE HB3 H 1 2.940 0.04 . 2 . . . . 171 PHE HB3 . 7089 1 799 . 1 1 72 72 PHE HD1 H 1 7.030 0.04 . 1 . . . . 171 PHE HD1 . 7089 1 800 . 1 1 72 72 PHE HE1 H 1 7.300 0.04 . 1 . . . . 171 PHE HE1 . 7089 1 801 . 1 1 72 72 PHE HZ H 1 7.260 0.04 . 1 . . . . 171 PHE HZ . 7089 1 802 . 1 1 72 72 PHE C C 13 176.300 0.30 . 1 . . . . 171 PHE C . 7089 1 803 . 1 1 72 72 PHE CA C 13 54.730 0.30 . 1 . . . . 171 PHE CA . 7089 1 804 . 1 1 72 72 PHE CB C 13 36.230 0.30 . 1 . . . . 171 PHE CB . 7089 1 805 . 1 1 72 72 PHE CD1 C 13 130.100 0.30 . 1 . . . . 171 PHE CD1 . 7089 1 806 . 1 1 72 72 PHE CE1 C 13 129.500 0.30 . 1 . . . . 171 PHE CE1 . 7089 1 807 . 1 1 72 72 PHE CZ C 13 128.000 0.30 . 1 . . . . 171 PHE CZ . 7089 1 808 . 1 1 72 72 PHE N N 15 122.630 0.40 . 1 . . . . 171 PHE N . 7089 1 809 . 1 1 73 73 HIS H H 1 8.220 0.04 . 1 . . . . 172 HIS H . 7089 1 810 . 1 1 73 73 HIS HA H 1 4.634 0.04 . 1 . . . . 172 HIS HA . 7089 1 811 . 1 1 73 73 HIS HB2 H 1 3.470 0.04 . 2 . . . . 172 HIS HB2 . 7089 1 812 . 1 1 73 73 HIS HB3 H 1 3.060 0.04 . 2 . . . . 172 HIS HB3 . 7089 1 813 . 1 1 73 73 HIS HD2 H 1 7.550 0.04 . 1 . . . . 172 HIS HD2 . 7089 1 814 . 1 1 73 73 HIS HE1 H 1 8.410 0.04 . 1 . . . . 172 HIS HE1 . 7089 1 815 . 1 1 73 73 HIS C C 13 174.700 0.30 . 1 . . . . 172 HIS C . 7089 1 816 . 1 1 73 73 HIS CA C 13 53.950 0.30 . 1 . . . . 172 HIS CA . 7089 1 817 . 1 1 73 73 HIS CB C 13 26.900 0.30 . 1 . . . . 172 HIS CB . 7089 1 818 . 1 1 73 73 HIS CD2 C 13 118.900 0.30 . 1 . . . . 172 HIS CD2 . 7089 1 819 . 1 1 73 73 HIS CE1 C 13 135.000 0.30 . 1 . . . . 172 HIS CE1 . 7089 1 820 . 1 1 73 73 HIS N N 15 122.000 0.40 . 1 . . . . 172 HIS N . 7089 1 821 . 1 1 74 74 ALA H H 1 8.300 0.04 . 1 . . . . 173 ALA H . 7089 1 822 . 1 1 74 74 ALA HA H 1 3.934 0.04 . 1 . . . . 173 ALA HA . 7089 1 823 . 1 1 74 74 ALA HB1 H 1 1.372 0.04 . 1 . . . . 173 ALA HB . 7089 1 824 . 1 1 74 74 ALA HB2 H 1 1.372 0.04 . 1 . . . . 173 ALA HB . 7089 1 825 . 1 1 74 74 ALA HB3 H 1 1.372 0.04 . 1 . . . . 173 ALA HB . 7089 1 826 . 1 1 74 74 ALA CA C 13 58.066 0.30 . 1 . . . . 173 ALA CA . 7089 1 827 . 1 1 74 74 ALA CB C 13 18.600 0.30 . 1 . . . . 173 ALA CB . 7089 1 828 . 1 1 74 74 ALA N N 15 123.300 0.40 . 1 . . . . 173 ALA N . 7089 1 829 . 1 1 75 75 PHE H H 1 8.270 0.04 . 1 . . . . 174 PHE H . 7089 1 830 . 1 1 75 75 PHE HA H 1 4.222 0.04 . 1 . . . . 174 PHE HA . 7089 1 831 . 1 1 75 75 PHE HB2 H 1 2.92 0.04 . 2 . . . . 174 PHE HB2 . 7089 1 832 . 1 1 75 75 PHE HB3 H 1 3.05 0.04 . 2 . . . . 174 PHE HB3 . 7089 1 833 . 1 1 75 75 PHE HD1 H 1 7.310 0.04 . 1 . . . . 174 PHE HD1 . 7089 1 834 . 1 1 75 75 PHE HE1 H 1 7.220 0.04 . 1 . . . . 174 PHE HE1 . 7089 1 835 . 1 1 75 75 PHE HZ H 1 7.020 0.04 . 1 . . . . 174 PHE HZ . 7089 1 836 . 1 1 75 75 PHE C C 13 176.200 0.30 . 1 . . . . 174 PHE C . 7089 1 837 . 1 1 75 75 PHE CA C 13 57.430 0.30 . 1 . . . . 174 PHE CA . 7089 1 838 . 1 1 75 75 PHE CB C 13 38.660 0.30 . 1 . . . . 174 PHE CB . 7089 1 839 . 1 1 75 75 PHE CD1 C 13 129.500 0.30 . 1 . . . . 174 PHE CD1 . 7089 1 840 . 1 1 75 75 PHE CE1 C 13 129.500 0.30 . 1 . . . . 174 PHE CE1 . 7089 1 841 . 1 1 75 75 PHE CZ C 13 127.700 0.30 . 1 . . . . 174 PHE CZ . 7089 1 842 . 1 1 75 75 PHE N N 15 121.320 0.40 . 1 . . . . 174 PHE N . 7089 1 843 . 1 1 76 76 ASP H H 1 8.250 0.04 . 1 . . . . 175 ASP H . 7089 1 844 . 1 1 76 76 ASP HA H 1 4.880 0.04 . 1 . . . . 175 ASP HA . 7089 1 845 . 1 1 76 76 ASP HB2 H 1 3.04 0.04 . 2 . . . . 175 ASP HB2 . 7089 1 846 . 1 1 76 76 ASP HB3 H 1 3.150 0.04 . 2 . . . . 175 ASP HB3 . 7089 1 847 . 1 1 76 76 ASP C C 13 177.300 0.30 . 1 . . . . 175 ASP C . 7089 1 848 . 1 1 76 76 ASP CA C 13 54.040 0.30 . 1 . . . . 175 ASP CA . 7089 1 849 . 1 1 76 76 ASP CB C 13 41.700 0.30 . 1 . . . . 175 ASP CB . 7089 1 850 . 1 1 76 76 ASP N N 15 116.500 0.40 . 1 . . . . 175 ASP N . 7089 1 851 . 1 1 77 77 GLY H H 1 8.800 0.04 . 1 . . . . 176 GLY H . 7089 1 852 . 1 1 77 77 GLY HA2 H 1 4.290 0.04 . 2 . . . . 176 GLY HA2 . 7089 1 853 . 1 1 77 77 GLY HA3 H 1 4.450 0.04 . 2 . . . . 176 GLY HA3 . 7089 1 854 . 1 1 77 77 GLY CA C 13 43.670 0.30 . 1 . . . . 176 GLY CA . 7089 1 855 . 1 1 77 77 GLY N N 15 110.060 0.40 . 1 . . . . 176 GLY N . 7089 1 856 . 1 1 78 78 LYS H H 1 8.750 0.04 . 1 . . . . 177 LYS H . 7089 1 857 . 1 1 78 78 LYS HA H 1 3.460 0.04 . 1 . . . . 177 LYS HA . 7089 1 858 . 1 1 78 78 LYS HB3 H 1 1.630 0.04 . 2 . . . . 177 LYS HB3 . 7089 1 859 . 1 1 78 78 LYS HG2 H 1 1.330 0.04 . 2 . . . . 177 LYS HG2 . 7089 1 860 . 1 1 78 78 LYS HD2 H 1 1.730 0.04 . 2 . . . . 177 LYS HD2 . 7089 1 861 . 1 1 78 78 LYS HE3 H 1 2.540 0.04 . 2 . . . . 177 LYS HE3 . 7089 1 862 . 1 1 78 78 LYS C C 13 177.900 0.30 . 1 . . . . 177 LYS C . 7089 1 863 . 1 1 78 78 LYS CA C 13 58.530 0.30 . 1 . . . . 177 LYS CA . 7089 1 864 . 1 1 78 78 LYS CB C 13 32.280 0.30 . 1 . . . . 177 LYS CB . 7089 1 865 . 1 1 78 78 LYS CG C 13 24.800 0.30 . 1 . . . . 177 LYS CG . 7089 1 866 . 1 1 78 78 LYS CD C 13 29.300 0.30 . 1 . . . . 177 LYS CD . 7089 1 867 . 1 1 78 78 LYS CE C 13 42.300 0.30 . 1 . . . . 177 LYS CE . 7089 1 868 . 1 1 78 78 LYS N N 15 124.290 0.40 . 1 . . . . 177 LYS N . 7089 1 869 . 1 1 79 79 GLY H H 1 10.980 0.04 . 1 . . . . 178 GLY H . 7089 1 870 . 1 1 79 79 GLY HA2 H 1 3.560 0.04 . 2 . . . . 178 GLY HA2 . 7089 1 871 . 1 1 79 79 GLY HA3 H 1 4.210 0.04 . 2 . . . . 178 GLY HA3 . 7089 1 872 . 1 1 79 79 GLY C C 13 174.400 0.30 . 1 . . . . 178 GLY C . 7089 1 873 . 1 1 79 79 GLY CA C 13 43.010 0.30 . 1 . . . . 178 GLY CA . 7089 1 874 . 1 1 79 79 GLY N N 15 121.280 0.40 . 1 . . . . 178 GLY N . 7089 1 875 . 1 1 80 80 GLY H H 1 8.540 0.04 . 1 . . . . 179 GLY H . 7089 1 876 . 1 1 80 80 GLY HA2 H 1 4.080 0.04 . 2 . . . . 179 GLY HA2 . 7089 1 877 . 1 1 80 80 GLY HA3 H 1 3.470 0.04 . 2 . . . . 179 GLY HA3 . 7089 1 878 . 1 1 80 80 GLY CA C 13 46.750 0.30 . 1 . . . . 179 GLY CA . 7089 1 879 . 1 1 80 80 GLY N N 15 110.400 0.40 . 1 . . . . 179 GLY N . 7089 1 880 . 1 1 81 81 ILE H H 1 10.790 0.04 . 1 . . . . 180 ILE H . 7089 1 881 . 1 1 81 81 ILE HA H 1 3.934 0.04 . 1 . . . . 180 ILE HA . 7089 1 882 . 1 1 81 81 ILE HB H 1 2.070 0.04 . 1 . . . . 180 ILE HB . 7089 1 883 . 1 1 81 81 ILE HG12 H 1 1.720 0.04 . 2 . . . . 180 ILE HG12 . 7089 1 884 . 1 1 81 81 ILE HG13 H 1 1.320 0.04 . 2 . . . . 180 ILE HG13 . 7089 1 885 . 1 1 81 81 ILE HG21 H 1 1.200 0.04 . 1 . . . . 180 ILE HG2 . 7089 1 886 . 1 1 81 81 ILE HG22 H 1 1.200 0.04 . 1 . . . . 180 ILE HG2 . 7089 1 887 . 1 1 81 81 ILE HG23 H 1 1.200 0.04 . 1 . . . . 180 ILE HG2 . 7089 1 888 . 1 1 81 81 ILE HD11 H 1 0.970 0.04 . 1 . . . . 180 ILE HD1 . 7089 1 889 . 1 1 81 81 ILE HD12 H 1 0.970 0.04 . 1 . . . . 180 ILE HD1 . 7089 1 890 . 1 1 81 81 ILE HD13 H 1 0.970 0.04 . 1 . . . . 180 ILE HD1 . 7089 1 891 . 1 1 81 81 ILE CA C 13 62.350 0.30 . 1 . . . . 180 ILE CA . 7089 1 892 . 1 1 81 81 ILE CB C 13 33.400 0.30 . 1 . . . . 180 ILE CB . 7089 1 893 . 1 1 81 81 ILE CG1 C 13 25.000 0.30 . 1 . . . . 180 ILE CG1 . 7089 1 894 . 1 1 81 81 ILE CG2 C 13 20.800 0.30 . 1 . . . . 180 ILE CG2 . 7089 1 895 . 1 1 81 81 ILE CD1 C 13 17.500 0.30 . 1 . . . . 180 ILE CD1 . 7089 1 896 . 1 1 81 81 ILE N N 15 132.140 0.40 . 1 . . . . 180 ILE N . 7089 1 897 . 1 1 82 82 LEU H H 1 8.310 0.04 . 1 . . . . 181 LEU H . 7089 1 898 . 1 1 82 82 LEU HA H 1 5.030 0.04 . 1 . . . . 181 LEU HA . 7089 1 899 . 1 1 82 82 LEU C C 13 176.600 0.30 . 1 . . . . 181 LEU C . 7089 1 900 . 1 1 82 82 LEU CA C 13 52.400 0.30 . 1 . . . . 181 LEU CA . 7089 1 901 . 1 1 82 82 LEU CB C 13 43.000 0.30 . 1 . . . . 181 LEU CB . 7089 1 902 . 1 1 82 82 LEU CG C 13 26.900 0.30 . 1 . . . . 181 LEU CG . 7089 1 903 . 1 1 82 82 LEU CD1 C 13 19.300 0.30 . 1 . . . . 181 LEU CD1 . 7089 1 904 . 1 1 82 82 LEU CD2 C 13 22.000 0.30 . 1 . . . . 181 LEU CD2 . 7089 1 905 . 1 1 82 82 LEU N N 15 126.600 0.40 . 1 . . . . 181 LEU N . 7089 1 906 . 1 1 83 83 ALA H H 1 8.370 0.04 . 1 . . . . 182 ALA H . 7089 1 907 . 1 1 83 83 ALA HA H 1 3.730 0.04 . 1 . . . . 182 ALA HA . 7089 1 908 . 1 1 83 83 ALA HB1 H 1 1.500 0.04 . 1 . . . . 182 ALA HB . 7089 1 909 . 1 1 83 83 ALA HB2 H 1 1.500 0.04 . 1 . . . . 182 ALA HB . 7089 1 910 . 1 1 83 83 ALA HB3 H 1 1.500 0.04 . 1 . . . . 182 ALA HB . 7089 1 911 . 1 1 83 83 ALA CA C 13 54.000 0.30 . 1 . . . . 182 ALA CA . 7089 1 912 . 1 1 83 83 ALA CB C 13 17.900 0.30 . 1 . . . . 182 ALA CB . 7089 1 913 . 1 1 83 83 ALA N N 15 120.930 0.40 . 1 . . . . 182 ALA N . 7089 1 914 . 1 1 84 84 HIS H H 1 8.860 0.04 . 1 . . . . 183 HIS H . 7089 1 915 . 1 1 84 84 HIS HA H 1 3.970 0.04 . 1 . . . . 183 HIS HA . 7089 1 916 . 1 1 84 84 HIS HB2 H 1 3.460 0.04 . 2 . . . . 183 HIS HB2 . 7089 1 917 . 1 1 84 84 HIS HB3 H 1 3.220 0.04 . 2 . . . . 183 HIS HB3 . 7089 1 918 . 1 1 84 84 HIS HD2 H 1 7.130 0.04 . 1 . . . . 183 HIS HD2 . 7089 1 919 . 1 1 84 84 HIS HE1 H 1 7.830 0.04 . 1 . . . . 183 HIS HE1 . 7089 1 920 . 1 1 84 84 HIS C C 13 174.800 0.30 . 1 . . . . 183 HIS C . 7089 1 921 . 1 1 84 84 HIS CA C 13 55.300 0.30 . 1 . . . . 183 HIS CA . 7089 1 922 . 1 1 84 84 HIS CB C 13 30.000 0.30 . 1 . . . . 183 HIS CB . 7089 1 923 . 1 1 84 84 HIS CD2 C 13 120.000 0.30 . 1 . . . . 183 HIS CD2 . 7089 1 924 . 1 1 84 84 HIS CE1 C 13 136.000 0.30 . 1 . . . . 183 HIS CE1 . 7089 1 925 . 1 1 84 84 HIS N N 15 115.900 0.40 . 1 . . . . 183 HIS N . 7089 1 926 . 1 1 85 85 ALA H H 1 9.080 0.04 . 1 . . . . 184 ALA H . 7089 1 927 . 1 1 85 85 ALA HA H 1 4.140 0.04 . 1 . . . . 184 ALA HA . 7089 1 928 . 1 1 85 85 ALA HB1 H 1 1.400 0.04 . 1 . . . . 184 ALA HB . 7089 1 929 . 1 1 85 85 ALA HB2 H 1 1.400 0.04 . 1 . . . . 184 ALA HB . 7089 1 930 . 1 1 85 85 ALA HB3 H 1 1.400 0.04 . 1 . . . . 184 ALA HB . 7089 1 931 . 1 1 85 85 ALA CA C 13 52.150 0.30 . 1 . . . . 184 ALA CA . 7089 1 932 . 1 1 85 85 ALA CB C 13 21.800 0.30 . 1 . . . . 184 ALA CB . 7089 1 933 . 1 1 85 85 ALA N N 15 121.080 0.40 . 1 . . . . 184 ALA N . 7089 1 934 . 1 1 86 86 PHE H H 1 11.780 0.04 . 1 . . . . 185 PHE H . 7089 1 935 . 1 1 86 86 PHE HA H 1 4.690 0.04 . 1 . . . . 185 PHE HA . 7089 1 936 . 1 1 86 86 PHE HB2 H 1 3.570 0.04 . 2 . . . . 185 PHE HB2 . 7089 1 937 . 1 1 86 86 PHE HB3 H 1 3.300 0.04 . 2 . . . . 185 PHE HB3 . 7089 1 938 . 1 1 86 86 PHE C C 13 180.500 0.30 . 1 . . . . 185 PHE C . 7089 1 939 . 1 1 86 86 PHE CA C 13 59.400 0.30 . 1 . . . . 185 PHE CA . 7089 1 940 . 1 1 86 86 PHE CB C 13 37.000 0.30 . 1 . . . . 185 PHE CB . 7089 1 941 . 1 1 86 86 PHE N N 15 135.900 0.40 . 1 . . . . 185 PHE N . 7089 1 942 . 1 1 87 87 GLY H H 1 8.320 0.04 . 1 . . . . 186 GLY H . 7089 1 943 . 1 1 87 87 GLY HA2 H 1 4.210 0.04 . 2 . . . . 186 GLY HA2 . 7089 1 944 . 1 1 87 87 GLY HA3 H 1 4.110 0.04 . 2 . . . . 186 GLY HA3 . 7089 1 945 . 1 1 87 87 GLY CA C 13 48.000 0.30 . 1 . . . . 186 GLY CA . 7089 1 946 . 1 1 87 87 GLY N N 15 108.200 0.40 . 1 . . . . 186 GLY N . 7089 1 947 . 1 1 88 88 PRO CA C 13 63.870 0.30 . 1 . . . . 187 PRO CA . 7089 1 948 . 1 1 88 88 PRO CB C 13 27.000 0.30 . 1 . . . . 187 PRO CB . 7089 1 949 . 1 1 88 88 PRO CG C 13 29.100 0.30 . 1 . . . . 187 PRO CG . 7089 1 950 . 1 1 89 89 GLY H H 1 5.750 0.04 . 1 . . . . 188 GLY H . 7089 1 951 . 1 1 89 89 GLY HA2 H 1 3.520 0.04 . 2 . . . . 188 GLY HA2 . 7089 1 952 . 1 1 89 89 GLY HA3 H 1 3.920 0.04 . 2 . . . . 188 GLY HA3 . 7089 1 953 . 1 1 89 89 GLY C C 13 179.400 0.30 . 1 . . . . 188 GLY C . 7089 1 954 . 1 1 89 89 GLY CA C 13 44.200 0.30 . 1 . . . . 188 GLY CA . 7089 1 955 . 1 1 89 89 GLY N N 15 109.990 0.40 . 1 . . . . 188 GLY N . 7089 1 956 . 1 1 90 90 SER H H 1 8.090 0.04 . 1 . . . . 189 SER H . 7089 1 957 . 1 1 90 90 SER HA H 1 4.360 0.04 . 1 . . . . 189 SER HA . 7089 1 958 . 1 1 90 90 SER HB2 H 1 3.990 0.04 . 2 . . . . 189 SER HB2 . 7089 1 959 . 1 1 90 90 SER HB3 H 1 4.190 0.04 . 2 . . . . 189 SER HB3 . 7089 1 960 . 1 1 90 90 SER CA C 13 58.850 0.30 . 1 . . . . 189 SER CA . 7089 1 961 . 1 1 90 90 SER CB C 13 64.600 0.30 . 1 . . . . 189 SER CB . 7089 1 962 . 1 1 90 90 SER N N 15 114.650 0.40 . 1 . . . . 189 SER N . 7089 1 963 . 1 1 91 91 GLY H H 1 9.240 0.04 . 1 . . . . 190 GLY H . 7089 1 964 . 1 1 91 91 GLY HA2 H 1 3.800 0.04 . 2 . . . . 190 GLY HA2 . 7089 1 965 . 1 1 91 91 GLY CA C 13 47.350 0.30 . 1 . . . . 190 GLY CA . 7089 1 966 . 1 1 91 91 GLY N N 15 111.350 0.40 . 1 . . . . 190 GLY N . 7089 1 967 . 1 1 92 92 ILE H H 1 9.040 0.04 . 1 . . . . 191 ILE H . 7089 1 968 . 1 1 92 92 ILE HA H 1 4.020 0.04 . 1 . . . . 191 ILE HA . 7089 1 969 . 1 1 92 92 ILE HB H 1 2.120 0.04 . 1 . . . . 191 ILE HB . 7089 1 970 . 1 1 92 92 ILE HG12 H 1 1.460 0.04 . 2 . . . . 191 ILE HG12 . 7089 1 971 . 1 1 92 92 ILE HG21 H 1 0.510 0.04 . 1 . . . . 191 ILE HG2 . 7089 1 972 . 1 1 92 92 ILE HG22 H 1 0.510 0.04 . 1 . . . . 191 ILE HG2 . 7089 1 973 . 1 1 92 92 ILE HG23 H 1 0.510 0.04 . 1 . . . . 191 ILE HG2 . 7089 1 974 . 1 1 92 92 ILE HD11 H 1 0.460 0.04 . 1 . . . . 191 ILE HD1 . 7089 1 975 . 1 1 92 92 ILE HD12 H 1 0.460 0.04 . 1 . . . . 191 ILE HD1 . 7089 1 976 . 1 1 92 92 ILE HD13 H 1 0.460 0.04 . 1 . . . . 191 ILE HD1 . 7089 1 977 . 1 1 92 92 ILE CA C 13 62.340 0.30 . 1 . . . . 191 ILE CA . 7089 1 978 . 1 1 92 92 ILE CB C 13 38.000 0.30 . 1 . . . . 191 ILE CB . 7089 1 979 . 1 1 92 92 ILE CG1 C 13 27.500 0.30 . 1 . . . . 191 ILE CG1 . 7089 1 980 . 1 1 92 92 ILE CG2 C 13 22.600 0.30 . 1 . . . . 191 ILE CG2 . 7089 1 981 . 1 1 92 92 ILE CD1 C 13 16.500 0.30 . 1 . . . . 191 ILE CD1 . 7089 1 982 . 1 1 92 92 ILE N N 15 133.470 0.40 . 1 . . . . 191 ILE N . 7089 1 983 . 1 1 93 93 GLY H H 1 7.810 0.04 . 1 . . . . 192 GLY H . 7089 1 984 . 1 1 93 93 GLY HA2 H 1 3.800 0.04 . 2 . . . . 192 GLY HA2 . 7089 1 985 . 1 1 93 93 GLY CA C 13 46.100 0.30 . 1 . . . . 192 GLY CA . 7089 1 986 . 1 1 93 93 GLY N N 15 105.280 0.40 . 1 . . . . 192 GLY N . 7089 1 987 . 1 1 94 94 GLY H H 1 8.130 0.04 . 1 . . . . 193 GLY H . 7089 1 988 . 1 1 94 94 GLY HA2 H 1 4.290 0.04 . 2 . . . . 193 GLY HA2 . 7089 1 989 . 1 1 94 94 GLY HA3 H 1 3.900 0.04 . 2 . . . . 193 GLY HA3 . 7089 1 990 . 1 1 94 94 GLY CA C 13 46.400 0.30 . 1 . . . . 193 GLY CA . 7089 1 991 . 1 1 94 94 GLY N N 15 115.850 0.40 . 1 . . . . 193 GLY N . 7089 1 992 . 1 1 95 95 ASP H H 1 8.280 0.04 . 1 . . . . 194 ASP H . 7089 1 993 . 1 1 95 95 ASP HA H 1 4.312 0.04 . 1 . . . . 194 ASP HA . 7089 1 994 . 1 1 95 95 ASP HB3 H 1 2.990 0.04 . 2 . . . . 194 ASP HB3 . 7089 1 995 . 1 1 95 95 ASP C C 13 175.000 0.30 . 1 . . . . 194 ASP C . 7089 1 996 . 1 1 95 95 ASP CA C 13 56.580 0.30 . 1 . . . . 194 ASP CA . 7089 1 997 . 1 1 95 95 ASP CB C 13 39.500 0.30 . 1 . . . . 194 ASP CB . 7089 1 998 . 1 1 95 95 ASP N N 15 122.470 0.40 . 1 . . . . 194 ASP N . 7089 1 999 . 1 1 96 96 ALA H H 1 8.630 0.04 . 1 . . . . 195 ALA H . 7089 1 1000 . 1 1 96 96 ALA HA H 1 4.770 0.04 . 1 . . . . 195 ALA HA . 7089 1 1001 . 1 1 96 96 ALA HB1 H 1 1.040 0.04 . 1 . . . . 195 ALA HB . 7089 1 1002 . 1 1 96 96 ALA HB2 H 1 1.040 0.04 . 1 . . . . 195 ALA HB . 7089 1 1003 . 1 1 96 96 ALA HB3 H 1 1.040 0.04 . 1 . . . . 195 ALA HB . 7089 1 1004 . 1 1 96 96 ALA CA C 13 51.100 0.30 . 1 . . . . 195 ALA CA . 7089 1 1005 . 1 1 96 96 ALA N N 15 119.890 0.40 . 1 . . . . 195 ALA N . 7089 1 1006 . 1 1 97 97 HIS H H 1 9.000 0.04 . 1 . . . . 196 HIS H . 7089 1 1007 . 1 1 97 97 HIS HA H 1 4.810 0.04 . 1 . . . . 196 HIS HA . 7089 1 1008 . 1 1 97 97 HIS HB2 H 1 3.360 0.04 . 2 . . . . 196 HIS HB2 . 7089 1 1009 . 1 1 97 97 HIS HB3 H 1 2.530 0.04 . 2 . . . . 196 HIS HB3 . 7089 1 1010 . 1 1 97 97 HIS HD2 H 1 6.520 0.04 . 1 . . . . 196 HIS HD2 . 7089 1 1011 . 1 1 97 97 HIS HE1 H 1 8.460 0.04 . 1 . . . . 196 HIS HE1 . 7089 1 1012 . 1 1 97 97 HIS C C 13 172.900 0.30 . 1 . . . . 196 HIS C . 7089 1 1013 . 1 1 97 97 HIS CA C 13 50.500 0.30 . 1 . . . . 196 HIS CA . 7089 1 1014 . 1 1 97 97 HIS CB C 13 34.100 0.30 . 1 . . . . 196 HIS CB . 7089 1 1015 . 1 1 97 97 HIS CD2 C 13 122.100 0.30 . 1 . . . . 196 HIS CD2 . 7089 1 1016 . 1 1 97 97 HIS CE1 C 13 140.300 0.30 . 1 . . . . 196 HIS CE1 . 7089 1 1017 . 1 1 97 97 HIS N N 15 120.880 0.40 . 1 . . . . 196 HIS N . 7089 1 1018 . 1 1 98 98 PHE H H 1 9.140 0.04 . 1 . . . . 197 PHE H . 7089 1 1019 . 1 1 98 98 PHE HA H 1 4.320 0.04 . 1 . . . . 197 PHE HA . 7089 1 1020 . 1 1 98 98 PHE HB2 H 1 2.250 0.04 . 2 . . . . 197 PHE HB2 . 7089 1 1021 . 1 1 98 98 PHE HB3 H 1 1.720 0.04 . 2 . . . . 197 PHE HB3 . 7089 1 1022 . 1 1 98 98 PHE HD1 H 1 6.250 0.04 . 1 . . . . 197 PHE HD1 . 7089 1 1023 . 1 1 98 98 PHE HE1 H 1 6.510 0.04 . 1 . . . . 197 PHE HE1 . 7089 1 1024 . 1 1 98 98 PHE HZ H 1 6.380 0.04 . 1 . . . . 197 PHE HZ . 7089 1 1025 . 1 1 98 98 PHE C C 13 174.200 0.30 . 1 . . . . 197 PHE C . 7089 1 1026 . 1 1 98 98 PHE CA C 13 57.040 0.30 . 1 . . . . 197 PHE CA . 7089 1 1027 . 1 1 98 98 PHE CB C 13 41.480 0.30 . 1 . . . . 197 PHE CB . 7089 1 1028 . 1 1 98 98 PHE CD1 C 13 129.800 0.30 . 1 . . . . 197 PHE CD1 . 7089 1 1029 . 1 1 98 98 PHE CE1 C 13 126.600 0.30 . 1 . . . . 197 PHE CE1 . 7089 1 1030 . 1 1 98 98 PHE CZ C 13 123.700 0.30 . 1 . . . . 197 PHE CZ . 7089 1 1031 . 1 1 98 98 PHE N N 15 122.750 0.40 . 1 . . . . 197 PHE N . 7089 1 1032 . 1 1 99 99 ASP H H 1 8.040 0.04 . 1 . . . . 198 ASP H . 7089 1 1033 . 1 1 99 99 ASP HA H 1 4.340 0.04 . 1 . . . . 198 ASP HA . 7089 1 1034 . 1 1 99 99 ASP HB2 H 1 3.470 0.04 . 2 . . . . 198 ASP HB2 . 7089 1 1035 . 1 1 99 99 ASP HB3 H 1 3.120 0.04 . 2 . . . . 198 ASP HB3 . 7089 1 1036 . 1 1 99 99 ASP C C 13 179.400 0.30 . 1 . . . . 198 ASP C . 7089 1 1037 . 1 1 99 99 ASP CA C 13 54.260 0.30 . 1 . . . . 198 ASP CA . 7089 1 1038 . 1 1 99 99 ASP CB C 13 40.500 0.30 . 1 . . . . 198 ASP CB . 7089 1 1039 . 1 1 99 99 ASP N N 15 122.570 0.40 . 1 . . . . 198 ASP N . 7089 1 1040 . 1 1 100 100 GLU H H 1 9.560 0.04 . 1 . . . . 199 GLU H . 7089 1 1041 . 1 1 100 100 GLU HA H 1 4.490 0.04 . 1 . . . . 199 GLU HA . 7089 1 1042 . 1 1 100 100 GLU HB2 H 1 1.740 0.04 . 2 . . . . 199 GLU HB2 . 7089 1 1043 . 1 1 100 100 GLU HG3 H 1 2.050 0.04 . 2 . . . . 199 GLU HG3 . 7089 1 1044 . 1 1 100 100 GLU C C 13 176.600 0.30 . 1 . . . . 199 GLU C . 7089 1 1045 . 1 1 100 100 GLU CA C 13 56.380 0.30 . 1 . . . . 199 GLU CA . 7089 1 1046 . 1 1 100 100 GLU CB C 13 31.800 0.30 . 1 . . . . 199 GLU CB . 7089 1 1047 . 1 1 100 100 GLU CG C 13 36.400 0.30 . 1 . . . . 199 GLU CG . 7089 1 1048 . 1 1 100 100 GLU N N 15 130.440 0.40 . 1 . . . . 199 GLU N . 7089 1 1049 . 1 1 101 101 ASP H H 1 9.080 0.04 . 1 . . . . 200 ASP H . 7089 1 1050 . 1 1 101 101 ASP HA H 1 4.810 0.04 . 1 . . . . 200 ASP HA . 7089 1 1051 . 1 1 101 101 ASP HB2 H 1 2.560 0.04 . 2 . . . . 200 ASP HB2 . 7089 1 1052 . 1 1 101 101 ASP HB3 H 1 2.690 0.04 . 2 . . . . 200 ASP HB3 . 7089 1 1053 . 1 1 101 101 ASP C C 13 177.300 0.30 . 1 . . . . 200 ASP C . 7089 1 1054 . 1 1 101 101 ASP CA C 13 56.910 0.30 . 1 . . . . 200 ASP CA . 7089 1 1055 . 1 1 101 101 ASP CB C 13 39.600 0.30 . 1 . . . . 200 ASP CB . 7089 1 1056 . 1 1 101 101 ASP N N 15 119.500 0.40 . 1 . . . . 200 ASP N . 7089 1 1057 . 1 1 102 102 GLU H H 1 7.390 0.04 . 1 . . . . 201 GLU H . 7089 1 1058 . 1 1 102 102 GLU HA H 1 4.470 0.04 . 1 . . . . 201 GLU HA . 7089 1 1059 . 1 1 102 102 GLU HB2 H 1 1.770 0.04 . 2 . . . . 201 GLU HB2 . 7089 1 1060 . 1 1 102 102 GLU HB3 H 1 1.650 0.04 . 2 . . . . 201 GLU HB3 . 7089 1 1061 . 1 1 102 102 GLU HG2 H 1 1.940 0.04 . 2 . . . . 201 GLU HG2 . 7089 1 1062 . 1 1 102 102 GLU C C 13 175.100 0.30 . 1 . . . . 201 GLU C . 7089 1 1063 . 1 1 102 102 GLU CA C 13 54.020 0.30 . 1 . . . . 201 GLU CA . 7089 1 1064 . 1 1 102 102 GLU CB C 13 27.100 0.30 . 1 . . . . 201 GLU CB . 7089 1 1065 . 1 1 102 102 GLU CG C 13 35.700 0.30 . 1 . . . . 201 GLU CG . 7089 1 1066 . 1 1 102 102 GLU N N 15 116.700 0.40 . 1 . . . . 201 GLU N . 7089 1 1067 . 1 1 103 103 PHE H H 1 8.440 0.04 . 1 . . . . 202 PHE H . 7089 1 1068 . 1 1 103 103 PHE HA H 1 4.930 0.04 . 1 . . . . 202 PHE HA . 7089 1 1069 . 1 1 103 103 PHE HB2 H 1 2.860 0.04 . 2 . . . . 202 PHE HB2 . 7089 1 1070 . 1 1 103 103 PHE HB3 H 1 2.700 0.04 . 2 . . . . 202 PHE HB3 . 7089 1 1071 . 1 1 103 103 PHE HD1 H 1 7.080 0.04 . 1 . . . . 202 PHE HD1 . 7089 1 1072 . 1 1 103 103 PHE HE1 H 1 7.310 0.04 . 1 . . . . 202 PHE HE1 . 7089 1 1073 . 1 1 103 103 PHE HZ H 1 6.900 0.04 . 1 . . . . 202 PHE HZ . 7089 1 1074 . 1 1 103 103 PHE C C 13 172.800 0.30 . 1 . . . . 202 PHE C . 7089 1 1075 . 1 1 103 103 PHE CA C 13 55.620 0.30 . 1 . . . . 202 PHE CA . 7089 1 1076 . 1 1 103 103 PHE CB C 13 38.900 0.30 . 1 . . . . 202 PHE CB . 7089 1 1077 . 1 1 103 103 PHE CD1 C 13 129.300 0.30 . 1 . . . . 202 PHE CD1 . 7089 1 1078 . 1 1 103 103 PHE CE1 C 13 128.000 0.30 . 1 . . . . 202 PHE CE1 . 7089 1 1079 . 1 1 103 103 PHE CZ C 13 127.500 0.30 . 1 . . . . 202 PHE CZ . 7089 1 1080 . 1 1 103 103 PHE N N 15 126.330 0.40 . 1 . . . . 202 PHE N . 7089 1 1081 . 1 1 104 104 TRP H H 1 9.240 0.04 . 1 . . . . 203 TRP H . 7089 1 1082 . 1 1 104 104 TRP HA H 1 5.000 0.04 . 1 . . . . 203 TRP HA . 7089 1 1083 . 1 1 104 104 TRP HB2 H 1 3.220 0.04 . 2 . . . . 203 TRP HB2 . 7089 1 1084 . 1 1 104 104 TRP HB3 H 1 2.570 0.04 . 2 . . . . 203 TRP HB3 . 7089 1 1085 . 1 1 104 104 TRP HD1 H 1 7.380 0.04 . 1 . . . . 203 TRP HD1 . 7089 1 1086 . 1 1 104 104 TRP HE1 H 1 10.200 0.04 . 1 . . . . 203 TRP HE1 . 7089 1 1087 . 1 1 104 104 TRP HE3 H 1 7.350 0.04 . 1 . . . . 203 TRP HE3 . 7089 1 1088 . 1 1 104 104 TRP HZ2 H 1 7.130 0.04 . 1 . . . . 203 TRP HZ2 . 7089 1 1089 . 1 1 104 104 TRP HZ3 H 1 7.230 0.04 . 1 . . . . 203 TRP HZ3 . 7089 1 1090 . 1 1 104 104 TRP HH2 H 1 7.500 0.04 . 1 . . . . 203 TRP HH2 . 7089 1 1091 . 1 1 104 104 TRP C C 13 176.800 0.30 . 1 . . . . 203 TRP C . 7089 1 1092 . 1 1 104 104 TRP CA C 13 56.690 0.30 . 1 . . . . 203 TRP CA . 7089 1 1093 . 1 1 104 104 TRP CB C 13 31.000 0.30 . 1 . . . . 203 TRP CB . 7089 1 1094 . 1 1 104 104 TRP CD1 C 13 126.100 0.30 . 1 . . . . 203 TRP CD1 . 7089 1 1095 . 1 1 104 104 TRP CE3 C 13 116.000 0.30 . 1 . . . . 203 TRP CE3 . 7089 1 1096 . 1 1 104 104 TRP CZ2 C 13 112.000 0.30 . 1 . . . . 203 TRP CZ2 . 7089 1 1097 . 1 1 104 104 TRP CZ3 C 13 125.000 0.30 . 1 . . . . 203 TRP CZ3 . 7089 1 1098 . 1 1 104 104 TRP CH2 C 13 122.500 0.30 . 1 . . . . 203 TRP CH2 . 7089 1 1099 . 1 1 104 104 TRP N N 15 131.500 0.40 . 1 . . . . 203 TRP N . 7089 1 1100 . 1 1 104 104 TRP NE1 N 15 127.200 0.40 . 1 . . . . 203 TRP NE1 . 7089 1 1101 . 1 1 105 105 THR H H 1 8.300 0.04 . 1 . . . . 204 THR H . 7089 1 1102 . 1 1 105 105 THR HA H 1 4.400 0.04 . 1 . . . . 204 THR HA . 7089 1 1103 . 1 1 105 105 THR HB H 1 4.150 0.04 . 1 . . . . 204 THR HB . 7089 1 1104 . 1 1 105 105 THR HG21 H 1 1.110 0.04 . 1 . . . . 204 THR HG2 . 7089 1 1105 . 1 1 105 105 THR HG22 H 1 1.110 0.04 . 1 . . . . 204 THR HG2 . 7089 1 1106 . 1 1 105 105 THR HG23 H 1 1.110 0.04 . 1 . . . . 204 THR HG2 . 7089 1 1107 . 1 1 105 105 THR C C 13 176.100 0.30 . 1 . . . . 204 THR C . 7089 1 1108 . 1 1 105 105 THR CA C 13 59.990 0.30 . 1 . . . . 204 THR CA . 7089 1 1109 . 1 1 105 105 THR CB C 13 70.680 0.30 . 1 . . . . 204 THR CB . 7089 1 1110 . 1 1 105 105 THR CG2 C 13 20.800 0.30 . 1 . . . . 204 THR CG2 . 7089 1 1111 . 1 1 105 105 THR N N 15 109.610 0.40 . 1 . . . . 204 THR N . 7089 1 1112 . 1 1 106 106 THR H H 1 8.330 0.04 . 1 . . . . 205 THR H . 7089 1 1113 . 1 1 106 106 THR HA H 1 4.600 0.04 . 1 . . . . 205 THR HA . 7089 1 1114 . 1 1 106 106 THR HB H 1 4.380 0.04 . 1 . . . . 205 THR HB . 7089 1 1115 . 1 1 106 106 THR HG21 H 1 1.340 0.04 . 1 . . . . 205 THR HG2 . 7089 1 1116 . 1 1 106 106 THR HG22 H 1 1.340 0.04 . 1 . . . . 205 THR HG2 . 7089 1 1117 . 1 1 106 106 THR HG23 H 1 1.340 0.04 . 1 . . . . 205 THR HG2 . 7089 1 1118 . 1 1 106 106 THR C C 13 175.600 0.30 . 1 . . . . 205 THR C . 7089 1 1119 . 1 1 106 106 THR CA C 13 62.400 0.30 . 1 . . . . 205 THR CA . 7089 1 1120 . 1 1 106 106 THR CB C 13 69.400 0.30 . 1 . . . . 205 THR CB . 7089 1 1121 . 1 1 106 106 THR CG2 C 13 22.500 0.30 . 1 . . . . 205 THR CG2 . 7089 1 1122 . 1 1 106 106 THR N N 15 109.830 0.40 . 1 . . . . 205 THR N . 7089 1 1123 . 1 1 107 107 HIS H H 1 8.000 0.04 . 1 . . . . 206 HIS H . 7089 1 1124 . 1 1 107 107 HIS HA H 1 4.320 0.04 . 1 . . . . 206 HIS HA . 7089 1 1125 . 1 1 107 107 HIS HB2 H 1 3.470 0.04 . 2 . . . . 206 HIS HB2 . 7089 1 1126 . 1 1 107 107 HIS HB3 H 1 3.110 0.04 . 2 . . . . 206 HIS HB3 . 7089 1 1127 . 1 1 107 107 HIS HD2 H 1 7.170 0.04 . 1 . . . . 206 HIS HD2 . 7089 1 1128 . 1 1 107 107 HIS HE1 H 1 7.820 0.04 . 1 . . . . 206 HIS HE1 . 7089 1 1129 . 1 1 107 107 HIS C C 13 174.200 0.30 . 1 . . . . 206 HIS C . 7089 1 1130 . 1 1 107 107 HIS CA C 13 55.530 0.30 . 1 . . . . 206 HIS CA . 7089 1 1131 . 1 1 107 107 HIS CB C 13 31.600 0.30 . 1 . . . . 206 HIS CB . 7089 1 1132 . 1 1 107 107 HIS CD2 C 13 117.800 0.30 . 1 . . . . 206 HIS CD2 . 7089 1 1133 . 1 1 107 107 HIS CE1 C 13 137.300 0.30 . 1 . . . . 206 HIS CE1 . 7089 1 1134 . 1 1 107 107 HIS N N 15 122.640 0.40 . 1 . . . . 206 HIS N . 7089 1 1135 . 1 1 108 108 SER H H 1 7.990 0.04 . 1 . . . . 207 SER H . 7089 1 1136 . 1 1 108 108 SER HA H 1 4.170 0.04 . 1 . . . . 207 SER HA . 7089 1 1137 . 1 1 108 108 SER HB2 H 1 3.50 0.04 . 2 . . . . 207 SER HB2 . 7089 1 1138 . 1 1 108 108 SER HB3 H 1 3.42 0.04 . 2 . . . . 207 SER HB3 . 7089 1 1139 . 1 1 108 108 SER C C 13 176.000 0.30 . 1 . . . . 207 SER C . 7089 1 1140 . 1 1 108 108 SER CA C 13 58.800 0.30 . 1 . . . . 207 SER CA . 7089 1 1141 . 1 1 108 108 SER CB C 13 64.600 0.30 . 1 . . . . 207 SER CB . 7089 1 1142 . 1 1 108 108 SER N N 15 114.390 0.40 . 1 . . . . 207 SER N . 7089 1 1143 . 1 1 109 109 GLY H H 1 9.020 0.04 . 1 . . . . 208 GLY H . 7089 1 1144 . 1 1 109 109 GLY HA2 H 1 3.960 0.04 . 2 . . . . 208 GLY HA2 . 7089 1 1145 . 1 1 109 109 GLY HA3 H 1 3.740 0.04 . 2 . . . . 208 GLY HA3 . 7089 1 1146 . 1 1 109 109 GLY CA C 13 45.300 0.30 . 1 . . . . 208 GLY CA . 7089 1 1147 . 1 1 109 109 GLY N N 15 112.330 0.40 . 1 . . . . 208 GLY N . 7089 1 1148 . 1 1 110 110 GLY H H 1 8.000 0.04 . 1 . . . . 209 GLY H . 7089 1 1149 . 1 1 110 110 GLY HA2 H 1 3.840 0.04 . 2 . . . . 209 GLY HA2 . 7089 1 1150 . 1 1 110 110 GLY HA3 H 1 4.150 0.04 . 2 . . . . 209 GLY HA3 . 7089 1 1151 . 1 1 110 110 GLY C C 13 174.000 0.30 . 1 . . . . 209 GLY C . 7089 1 1152 . 1 1 110 110 GLY CA C 13 46.400 0.30 . 1 . . . . 209 GLY CA . 7089 1 1153 . 1 1 110 110 GLY N N 15 108.040 0.40 . 1 . . . . 209 GLY N . 7089 1 1154 . 1 1 111 111 THR H H 1 9.170 0.04 . 1 . . . . 210 THR H . 7089 1 1155 . 1 1 111 111 THR HA H 1 4.000 0.04 . 1 . . . . 210 THR HA . 7089 1 1156 . 1 1 111 111 THR HB H 1 3.790 0.04 . 1 . . . . 210 THR HB . 7089 1 1157 . 1 1 111 111 THR HG21 H 1 0.560 0.04 . 1 . . . . 210 THR HG2 . 7089 1 1158 . 1 1 111 111 THR HG22 H 1 0.560 0.04 . 1 . . . . 210 THR HG2 . 7089 1 1159 . 1 1 111 111 THR HG23 H 1 0.560 0.04 . 1 . . . . 210 THR HG2 . 7089 1 1160 . 1 1 111 111 THR C C 13 172.700 0.30 . 1 . . . . 210 THR C . 7089 1 1161 . 1 1 111 111 THR CA C 13 62.690 0.30 . 1 . . . . 210 THR CA . 7089 1 1162 . 1 1 111 111 THR CB C 13 69.420 0.30 . 1 . . . . 210 THR CB . 7089 1 1163 . 1 1 111 111 THR CG2 C 13 21.000 0.30 . 1 . . . . 210 THR CG2 . 7089 1 1164 . 1 1 111 111 THR N N 15 124.630 0.40 . 1 . . . . 210 THR N . 7089 1 1165 . 1 1 112 112 ASN H H 1 8.410 0.04 . 1 . . . . 211 ASN H . 7089 1 1166 . 1 1 112 112 ASN HA H 1 4.774 0.04 . 1 . . . . 211 ASN HA . 7089 1 1167 . 1 1 112 112 ASN HB2 H 1 3.100 0.04 . 2 . . . . 211 ASN HB2 . 7089 1 1168 . 1 1 112 112 ASN HB3 H 1 3.170 0.04 . 2 . . . . 211 ASN HB3 . 7089 1 1169 . 1 1 112 112 ASN HD21 H 1 7.990 0.04 . 2 . . . . 211 ASN HD21 . 7089 1 1170 . 1 1 112 112 ASN HD22 H 1 6.370 0.04 . 2 . . . . 211 ASN HD22 . 7089 1 1171 . 1 1 112 112 ASN C C 13 176.700 0.30 . 1 . . . . 211 ASN C . 7089 1 1172 . 1 1 112 112 ASN CA C 13 55.880 0.30 . 1 . . . . 211 ASN CA . 7089 1 1173 . 1 1 112 112 ASN CB C 13 41.860 0.30 . 1 . . . . 211 ASN CB . 7089 1 1174 . 1 1 112 112 ASN N N 15 125.650 0.40 . 1 . . . . 211 ASN N . 7089 1 1175 . 1 1 112 112 ASN ND2 N 15 110.800 0.40 . 1 . . . . 211 ASN ND2 . 7089 1 1176 . 1 1 113 113 LEU H H 1 8.700 0.04 . 1 . . . . 212 LEU H . 7089 1 1177 . 1 1 113 113 LEU HA H 1 4.400 0.04 . 1 . . . . 212 LEU HA . 7089 1 1178 . 1 1 113 113 LEU HB2 H 1 1.860 0.04 . 2 . . . . 212 LEU HB2 . 7089 1 1179 . 1 1 113 113 LEU HB3 H 1 1.590 0.04 . 2 . . . . 212 LEU HB3 . 7089 1 1180 . 1 1 113 113 LEU HG H 1 1.490 0.04 . 1 . . . . 212 LEU HG . 7089 1 1181 . 1 1 113 113 LEU HD11 H 1 0.800 0.04 . 2 . . . . 212 LEU HD1 . 7089 1 1182 . 1 1 113 113 LEU HD12 H 1 0.800 0.04 . 2 . . . . 212 LEU HD1 . 7089 1 1183 . 1 1 113 113 LEU HD13 H 1 0.800 0.04 . 2 . . . . 212 LEU HD1 . 7089 1 1184 . 1 1 113 113 LEU HD21 H 1 1.070 0.04 . 2 . . . . 212 LEU HD2 . 7089 1 1185 . 1 1 113 113 LEU HD22 H 1 1.070 0.04 . 2 . . . . 212 LEU HD2 . 7089 1 1186 . 1 1 113 113 LEU HD23 H 1 1.070 0.04 . 2 . . . . 212 LEU HD2 . 7089 1 1187 . 1 1 113 113 LEU C C 13 176.500 0.30 . 1 . . . . 212 LEU C . 7089 1 1188 . 1 1 113 113 LEU CA C 13 58.840 0.30 . 1 . . . . 212 LEU CA . 7089 1 1189 . 1 1 113 113 LEU CB C 13 41.120 0.30 . 1 . . . . 212 LEU CB . 7089 1 1190 . 1 1 113 113 LEU CG C 13 27.900 0.30 . 1 . . . . 212 LEU CG . 7089 1 1191 . 1 1 113 113 LEU CD1 C 13 17.600 0.30 . 1 . . . . 212 LEU CD1 . 7089 1 1192 . 1 1 113 113 LEU CD2 C 13 18.100 0.30 . 1 . . . . 212 LEU CD2 . 7089 1 1193 . 1 1 113 113 LEU N N 15 132.060 0.40 . 1 . . . . 212 LEU N . 7089 1 1194 . 1 1 114 114 PHE H H 1 9.370 0.04 . 1 . . . . 213 PHE H . 7089 1 1195 . 1 1 114 114 PHE HA H 1 3.940 0.04 . 1 . . . . 213 PHE HA . 7089 1 1196 . 1 1 114 114 PHE HB2 H 1 3.180 0.04 . 2 . . . . 213 PHE HB2 . 7089 1 1197 . 1 1 114 114 PHE HB3 H 1 3.430 0.04 . 2 . . . . 213 PHE HB3 . 7089 1 1198 . 1 1 114 114 PHE HD1 H 1 7.200 0.04 . 1 . . . . 213 PHE HD1 . 7089 1 1199 . 1 1 114 114 PHE HE1 H 1 6.870 0.04 . 1 . . . . 213 PHE HE1 . 7089 1 1200 . 1 1 114 114 PHE HZ H 1 6.500 0.04 . 1 . . . . 213 PHE HZ . 7089 1 1201 . 1 1 114 114 PHE C C 13 175.900 0.30 . 1 . . . . 213 PHE C . 7089 1 1202 . 1 1 114 114 PHE CA C 13 61.710 0.30 . 1 . . . . 213 PHE CA . 7089 1 1203 . 1 1 114 114 PHE CB C 13 37.900 0.30 . 1 . . . . 213 PHE CB . 7089 1 1204 . 1 1 114 114 PHE CD1 C 13 130.200 0.30 . 1 . . . . 213 PHE CD1 . 7089 1 1205 . 1 1 114 114 PHE CE1 C 13 129.300 0.30 . 1 . . . . 213 PHE CE1 . 7089 1 1206 . 1 1 114 114 PHE CZ C 13 128.900 0.30 . 1 . . . . 213 PHE CZ . 7089 1 1207 . 1 1 114 114 PHE N N 15 120.810 0.40 . 1 . . . . 213 PHE N . 7089 1 1208 . 1 1 115 115 LEU H H 1 9.090 0.04 . 1 . . . . 214 LEU H . 7089 1 1209 . 1 1 115 115 LEU HA H 1 4.360 0.04 . 1 . . . . 214 LEU HA . 7089 1 1210 . 1 1 115 115 LEU HB2 H 1 1.820 0.04 . 2 . . . . 214 LEU HB2 . 7089 1 1211 . 1 1 115 115 LEU HB3 H 1 1.520 0.04 . 2 . . . . 214 LEU HB3 . 7089 1 1212 . 1 1 115 115 LEU HG H 1 1.080 0.04 . 1 . . . . 214 LEU HG . 7089 1 1213 . 1 1 115 115 LEU HD11 H 1 0.450 0.04 . 2 . . . . 214 LEU HD1 . 7089 1 1214 . 1 1 115 115 LEU HD12 H 1 0.450 0.04 . 2 . . . . 214 LEU HD1 . 7089 1 1215 . 1 1 115 115 LEU HD13 H 1 0.450 0.04 . 2 . . . . 214 LEU HD1 . 7089 1 1216 . 1 1 115 115 LEU HD21 H 1 0.810 0.04 . 2 . . . . 214 LEU HD2 . 7089 1 1217 . 1 1 115 115 LEU HD22 H 1 0.810 0.04 . 2 . . . . 214 LEU HD2 . 7089 1 1218 . 1 1 115 115 LEU HD23 H 1 0.810 0.04 . 2 . . . . 214 LEU HD2 . 7089 1 1219 . 1 1 115 115 LEU C C 13 180.400 0.30 . 1 . . . . 214 LEU C . 7089 1 1220 . 1 1 115 115 LEU CA C 13 57.900 0.30 . 1 . . . . 214 LEU CA . 7089 1 1221 . 1 1 115 115 LEU CB C 13 43.010 0.30 . 1 . . . . 214 LEU CB . 7089 1 1222 . 1 1 115 115 LEU CG C 13 33.000 0.30 . 1 . . . . 214 LEU CG . 7089 1 1223 . 1 1 115 115 LEU CD1 C 13 26.500 0.30 . 1 . . . . 214 LEU CD1 . 7089 1 1224 . 1 1 115 115 LEU CD2 C 13 19.600 0.30 . 1 . . . . 214 LEU CD2 . 7089 1 1225 . 1 1 115 115 LEU N N 15 118.040 0.40 . 1 . . . . 214 LEU N . 7089 1 1226 . 1 1 116 116 THR H H 1 7.660 0.04 . 1 . . . . 215 THR H . 7089 1 1227 . 1 1 116 116 THR HA H 1 4.400 0.04 . 1 . . . . 215 THR HA . 7089 1 1228 . 1 1 116 116 THR HB H 1 4.080 0.04 . 1 . . . . 215 THR HB . 7089 1 1229 . 1 1 116 116 THR HG21 H 1 1.490 0.04 . 1 . . . . 215 THR HG2 . 7089 1 1230 . 1 1 116 116 THR HG22 H 1 1.490 0.04 . 1 . . . . 215 THR HG2 . 7089 1 1231 . 1 1 116 116 THR HG23 H 1 1.490 0.04 . 1 . . . . 215 THR HG2 . 7089 1 1232 . 1 1 116 116 THR C C 13 176.600 0.30 . 1 . . . . 215 THR C . 7089 1 1233 . 1 1 116 116 THR CA C 13 67.030 0.30 . 1 . . . . 215 THR CA . 7089 1 1234 . 1 1 116 116 THR CB C 13 68.200 0.30 . 1 . . . . 215 THR CB . 7089 1 1235 . 1 1 116 116 THR CG2 C 13 21.500 0.30 . 1 . . . . 215 THR CG2 . 7089 1 1236 . 1 1 116 116 THR N N 15 115.530 0.40 . 1 . . . . 215 THR N . 7089 1 1237 . 1 1 117 117 ALA H H 1 9.440 0.04 . 1 . . . . 216 ALA H . 7089 1 1238 . 1 1 117 117 ALA HA H 1 4.040 0.04 . 1 . . . . 216 ALA HA . 7089 1 1239 . 1 1 117 117 ALA HB1 H 1 1.080 0.04 . 1 . . . . 216 ALA HB . 7089 1 1240 . 1 1 117 117 ALA HB2 H 1 1.080 0.04 . 1 . . . . 216 ALA HB . 7089 1 1241 . 1 1 117 117 ALA HB3 H 1 1.080 0.04 . 1 . . . . 216 ALA HB . 7089 1 1242 . 1 1 117 117 ALA C C 13 178.400 0.30 . 1 . . . . 216 ALA C . 7089 1 1243 . 1 1 117 117 ALA CA C 13 55.580 0.30 . 1 . . . . 216 ALA CA . 7089 1 1244 . 1 1 117 117 ALA CB C 13 17.300 0.30 . 1 . . . . 216 ALA CB . 7089 1 1245 . 1 1 117 117 ALA N N 15 125.450 0.40 . 1 . . . . 216 ALA N . 7089 1 1246 . 1 1 118 118 VAL H H 1 8.560 0.04 . 1 . . . . 217 VAL H . 7089 1 1247 . 1 1 118 118 VAL HA H 1 4.580 0.04 . 1 . . . . 217 VAL HA . 7089 1 1248 . 1 1 118 118 VAL HB H 1 1.560 0.04 . 1 . . . . 217 VAL HB . 7089 1 1249 . 1 1 118 118 VAL HG11 H 1 0.980 0.04 . 2 . . . . 217 VAL HG1 . 7089 1 1250 . 1 1 118 118 VAL HG12 H 1 0.980 0.04 . 2 . . . . 217 VAL HG1 . 7089 1 1251 . 1 1 118 118 VAL HG13 H 1 0.980 0.04 . 2 . . . . 217 VAL HG1 . 7089 1 1252 . 1 1 118 118 VAL HG21 H 1 1.110 0.04 . 2 . . . . 217 VAL HG2 . 7089 1 1253 . 1 1 118 118 VAL HG22 H 1 1.110 0.04 . 2 . . . . 217 VAL HG2 . 7089 1 1254 . 1 1 118 118 VAL HG23 H 1 1.110 0.04 . 2 . . . . 217 VAL HG2 . 7089 1 1255 . 1 1 118 118 VAL CA C 13 68.030 0.30 . 1 . . . . 217 VAL CA . 7089 1 1256 . 1 1 118 118 VAL CB C 13 31.200 0.30 . 1 . . . . 217 VAL CB . 7089 1 1257 . 1 1 118 118 VAL CG1 C 13 23.100 0.30 . 1 . . . . 217 VAL CG1 . 7089 1 1258 . 1 1 118 118 VAL CG2 C 13 23.600 0.30 . 1 . . . . 217 VAL CG2 . 7089 1 1259 . 1 1 118 118 VAL N N 15 118.600 0.40 . 1 . . . . 217 VAL N . 7089 1 1260 . 1 1 119 119 HIS H H 1 6.880 0.04 . 1 . . . . 218 HIS H . 7089 1 1261 . 1 1 119 119 HIS HA H 1 4.280 0.04 . 1 . . . . 218 HIS HA . 7089 1 1262 . 1 1 119 119 HIS HB2 H 1 3.070 0.04 . 2 . . . . 218 HIS HB2 . 7089 1 1263 . 1 1 119 119 HIS HB3 H 1 3.390 0.04 . 2 . . . . 218 HIS HB3 . 7089 1 1264 . 1 1 119 119 HIS HD2 H 1 7.060 0.04 . 1 . . . . 218 HIS HD2 . 7089 1 1265 . 1 1 119 119 HIS HE1 H 1 7.770 0.04 . 1 . . . . 218 HIS HE1 . 7089 1 1266 . 1 1 119 119 HIS C C 13 175.900 0.30 . 1 . . . . 218 HIS C . 7089 1 1267 . 1 1 119 119 HIS CA C 13 58.560 0.30 . 1 . . . . 218 HIS CA . 7089 1 1268 . 1 1 119 119 HIS CB C 13 31.000 0.30 . 1 . . . . 218 HIS CB . 7089 1 1269 . 1 1 119 119 HIS CD2 C 13 118.100 0.30 . 1 . . . . 218 HIS CD2 . 7089 1 1270 . 1 1 119 119 HIS CE1 C 13 135.700 0.30 . 1 . . . . 218 HIS CE1 . 7089 1 1271 . 1 1 119 119 HIS N N 15 116.930 0.40 . 1 . . . . 218 HIS N . 7089 1 1272 . 1 1 120 120 ALA H H 1 8.860 0.04 . 1 . . . . 219 ALA H . 7089 1 1273 . 1 1 120 120 ALA HA H 1 4.280 0.04 . 1 . . . . 219 ALA HA . 7089 1 1274 . 1 1 120 120 ALA HB1 H 1 0.980 0.04 . 1 . . . . 219 ALA HB . 7089 1 1275 . 1 1 120 120 ALA HB2 H 1 0.980 0.04 . 1 . . . . 219 ALA HB . 7089 1 1276 . 1 1 120 120 ALA HB3 H 1 0.980 0.04 . 1 . . . . 219 ALA HB . 7089 1 1277 . 1 1 120 120 ALA C C 13 178.600 0.30 . 1 . . . . 219 ALA C . 7089 1 1278 . 1 1 120 120 ALA CA C 13 56.600 0.30 . 1 . . . . 219 ALA CA . 7089 1 1279 . 1 1 120 120 ALA CB C 13 18.000 0.30 . 1 . . . . 219 ALA CB . 7089 1 1280 . 1 1 120 120 ALA N N 15 115.470 0.40 . 1 . . . . 219 ALA N . 7089 1 1281 . 1 1 121 121 ILE H H 1 8.920 0.04 . 1 . . . . 220 ILE H . 7089 1 1282 . 1 1 121 121 ILE HA H 1 3.550 0.04 . 1 . . . . 220 ILE HA . 7089 1 1283 . 1 1 121 121 ILE HB H 1 2.350 0.04 . 1 . . . . 220 ILE HB . 7089 1 1284 . 1 1 121 121 ILE HG12 H 1 1.120 0.04 . 2 . . . . 220 ILE HG12 . 7089 1 1285 . 1 1 121 121 ILE HG13 H 1 1.450 0.04 . 2 . . . . 220 ILE HG13 . 7089 1 1286 . 1 1 121 121 ILE HD11 H 1 1.040 0.04 . 1 . . . . 220 ILE HD1 . 7089 1 1287 . 1 1 121 121 ILE HD12 H 1 1.040 0.04 . 1 . . . . 220 ILE HD1 . 7089 1 1288 . 1 1 121 121 ILE HD13 H 1 1.040 0.04 . 1 . . . . 220 ILE HD1 . 7089 1 1289 . 1 1 121 121 ILE C C 13 177.200 0.30 . 1 . . . . 220 ILE C . 7089 1 1290 . 1 1 121 121 ILE CA C 13 63.440 0.30 . 1 . . . . 220 ILE CA . 7089 1 1291 . 1 1 121 121 ILE CB C 13 37.800 0.30 . 1 . . . . 220 ILE CB . 7089 1 1292 . 1 1 121 121 ILE CG1 C 13 27.100 0.30 . 1 . . . . 220 ILE CG1 . 7089 1 1293 . 1 1 121 121 ILE CG2 C 13 17.600 0.30 . 1 . . . . 220 ILE CG2 . 7089 1 1294 . 1 1 121 121 ILE CD1 C 13 13.900 0.30 . 1 . . . . 220 ILE CD1 . 7089 1 1295 . 1 1 121 121 ILE N N 15 115.890 0.40 . 1 . . . . 220 ILE N . 7089 1 1296 . 1 1 122 122 GLY H H 1 7.490 0.04 . 1 . . . . 221 GLY H . 7089 1 1297 . 1 1 122 122 GLY HA2 H 1 3.600 0.04 . 2 . . . . 221 GLY HA2 . 7089 1 1298 . 1 1 122 122 GLY HA3 H 1 3.690 0.04 . 2 . . . . 221 GLY HA3 . 7089 1 1299 . 1 1 122 122 GLY CA C 13 47.950 0.30 . 1 . . . . 221 GLY CA . 7089 1 1300 . 1 1 122 122 GLY N N 15 108.560 0.40 . 1 . . . . 221 GLY N . 7089 1 1301 . 1 1 123 123 HIS H H 1 6.990 0.04 . 1 . . . . 222 HIS H . 7089 1 1302 . 1 1 123 123 HIS HA H 1 4.280 0.04 . 1 . . . . 222 HIS HA . 7089 1 1303 . 1 1 123 123 HIS HB2 H 1 3.880 0.04 . 1 . . . . 222 HIS HB2 . 7089 1 1304 . 1 1 123 123 HIS HB3 H 1 3.880 0.04 . 1 . . . . 222 HIS HB3 . 7089 1 1305 . 1 1 123 123 HIS HD2 H 1 7.400 0.04 . 1 . . . . 222 HIS HD2 . 7089 1 1306 . 1 1 123 123 HIS HE1 H 1 7.770 0.04 . 1 . . . . 222 HIS HE1 . 7089 1 1307 . 1 1 123 123 HIS CA C 13 56.410 0.30 . 1 . . . . 222 HIS CA . 7089 1 1308 . 1 1 123 123 HIS CB C 13 30.400 0.30 . 1 . . . . 222 HIS CB . 7089 1 1309 . 1 1 123 123 HIS CD2 C 13 125.000 0.30 . 1 . . . . 222 HIS CD2 . 7089 1 1310 . 1 1 123 123 HIS CE1 C 13 134.700 0.30 . 1 . . . . 222 HIS CE1 . 7089 1 1311 . 1 1 123 123 HIS N N 15 118.500 0.40 . 1 . . . . 222 HIS N . 7089 1 1312 . 1 1 124 124 SER H H 1 8.460 0.04 . 1 . . . . 223 SER H . 7089 1 1313 . 1 1 124 124 SER HA H 1 4.310 0.04 . 1 . . . . 223 SER HA . 7089 1 1314 . 1 1 124 124 SER HB2 H 1 4.050 0.04 . 2 . . . . 223 SER HB2 . 7089 1 1315 . 1 1 124 124 SER C C 13 175.800 0.30 . 1 . . . . 223 SER C . 7089 1 1316 . 1 1 124 124 SER CA C 13 56.330 0.30 . 1 . . . . 223 SER CA . 7089 1 1317 . 1 1 124 124 SER CB C 13 62.360 0.30 . 1 . . . . 223 SER CB . 7089 1 1318 . 1 1 124 124 SER N N 15 122.000 0.40 . 1 . . . . 223 SER N . 7089 1 1319 . 1 1 125 125 LEU H H 1 7.800 0.04 . 1 . . . . 224 LEU H . 7089 1 1320 . 1 1 125 125 LEU HA H 1 4.530 0.04 . 1 . . . . 224 LEU HA . 7089 1 1321 . 1 1 125 125 LEU HB2 H 1 2.800 0.04 . 2 . . . . 224 LEU HB2 . 7089 1 1322 . 1 1 125 125 LEU HG H 1 2.660 0.04 . 1 . . . . 224 LEU HG . 7089 1 1323 . 1 1 125 125 LEU HD21 H 1 1.390 0.04 . 2 . . . . 224 LEU HD2 . 7089 1 1324 . 1 1 125 125 LEU HD22 H 1 1.390 0.04 . 2 . . . . 224 LEU HD2 . 7089 1 1325 . 1 1 125 125 LEU HD23 H 1 1.390 0.04 . 2 . . . . 224 LEU HD2 . 7089 1 1326 . 1 1 125 125 LEU CA C 13 52.900 0.30 . 1 . . . . 224 LEU CA . 7089 1 1327 . 1 1 125 125 LEU CB C 13 41.000 0.30 . 1 . . . . 224 LEU CB . 7089 1 1328 . 1 1 125 125 LEU CG C 13 32.300 0.30 . 1 . . . . 224 LEU CG . 7089 1 1329 . 1 1 125 125 LEU CD1 C 13 23.000 0.30 . 1 . . . . 224 LEU CD1 . 7089 1 1330 . 1 1 125 125 LEU CD2 C 13 19.000 0.30 . 1 . . . . 224 LEU CD2 . 7089 1 1331 . 1 1 125 125 LEU N N 15 114.580 0.40 . 1 . . . . 224 LEU N . 7089 1 1332 . 1 1 126 126 GLY H H 1 7.890 0.04 . 1 . . . . 225 GLY H . 7089 1 1333 . 1 1 126 126 GLY HA2 H 1 3.960 0.04 . 2 . . . . 225 GLY HA2 . 7089 1 1334 . 1 1 126 126 GLY HA3 H 1 4.240 0.04 . 2 . . . . 225 GLY HA3 . 7089 1 1335 . 1 1 126 126 GLY C C 13 176.600 0.30 . 1 . . . . 225 GLY C . 7089 1 1336 . 1 1 126 126 GLY CA C 13 46.300 0.30 . 1 . . . . 225 GLY CA . 7089 1 1337 . 1 1 126 126 GLY N N 15 119.510 0.40 . 1 . . . . 225 GLY N . 7089 1 1338 . 1 1 127 127 LEU H H 1 8.130 0.04 . 1 . . . . 226 LEU H . 7089 1 1339 . 1 1 127 127 LEU HA H 1 3.960 0.04 . 1 . . . . 226 LEU HA . 7089 1 1340 . 1 1 127 127 LEU HB3 H 1 2.660 0.04 . 2 . . . . 226 LEU HB3 . 7089 1 1341 . 1 1 127 127 LEU HG H 1 1.800 0.04 . 1 . . . . 226 LEU HG . 7089 1 1342 . 1 1 127 127 LEU HD11 H 1 1.500 0.04 . 2 . . . . 226 LEU HD1 . 7089 1 1343 . 1 1 127 127 LEU HD12 H 1 1.500 0.04 . 2 . . . . 226 LEU HD1 . 7089 1 1344 . 1 1 127 127 LEU HD13 H 1 1.500 0.04 . 2 . . . . 226 LEU HD1 . 7089 1 1345 . 1 1 127 127 LEU CA C 13 54.000 0.30 . 1 . . . . 226 LEU CA . 7089 1 1346 . 1 1 127 127 LEU CB C 13 41.800 0.30 . 1 . . . . 226 LEU CB . 7089 1 1347 . 1 1 127 127 LEU CG C 13 33.000 0.30 . 1 . . . . 226 LEU CG . 7089 1 1348 . 1 1 127 127 LEU CD1 C 13 31.000 0.30 . 1 . . . . 226 LEU CD1 . 7089 1 1349 . 1 1 127 127 LEU N N 15 120.940 0.40 . 1 . . . . 226 LEU N . 7089 1 1350 . 1 1 128 128 GLY H H 1 8.830 0.04 . 1 . . . . 227 GLY H . 7089 1 1351 . 1 1 128 128 GLY HA2 H 1 3.500 0.04 . 2 . . . . 227 GLY HA2 . 7089 1 1352 . 1 1 128 128 GLY HA3 H 1 3.600 0.04 . 2 . . . . 227 GLY HA3 . 7089 1 1353 . 1 1 128 128 GLY CA C 13 43.700 0.30 . 1 . . . . 227 GLY CA . 7089 1 1354 . 1 1 128 128 GLY N N 15 110.080 0.40 . 1 . . . . 227 GLY N . 7089 1 1355 . 1 1 129 129 HIS H H 1 8.540 0.04 . 1 . . . . 228 HIS H . 7089 1 1356 . 1 1 129 129 HIS HA H 1 5.220 0.04 . 1 . . . . 228 HIS HA . 7089 1 1357 . 1 1 129 129 HIS HB2 H 1 3.050 0.04 . 2 . . . . 228 HIS HB2 . 7089 1 1358 . 1 1 129 129 HIS HB3 H 1 3.210 0.04 . 2 . . . . 228 HIS HB3 . 7089 1 1359 . 1 1 129 129 HIS HD2 H 1 6.650 0.04 . 1 . . . . 228 HIS HD2 . 7089 1 1360 . 1 1 129 129 HIS HE1 H 1 8.290 0.04 . 1 . . . . 228 HIS HE1 . 7089 1 1361 . 1 1 129 129 HIS CA C 13 56.340 0.30 . 1 . . . . 228 HIS CA . 7089 1 1362 . 1 1 129 129 HIS CB C 13 30.000 0.30 . 1 . . . . 228 HIS CB . 7089 1 1363 . 1 1 129 129 HIS CD2 C 13 122.500 0.30 . 1 . . . . 228 HIS CD2 . 7089 1 1364 . 1 1 129 129 HIS CE1 C 13 139.000 0.30 . 1 . . . . 228 HIS CE1 . 7089 1 1365 . 1 1 129 129 HIS N N 15 115.580 0.40 . 1 . . . . 228 HIS N . 7089 1 1366 . 1 1 130 130 SER H H 1 7.120 0.04 . 1 . . . . 229 SER H . 7089 1 1367 . 1 1 130 130 SER HA H 1 4.750 0.04 . 1 . . . . 229 SER HA . 7089 1 1368 . 1 1 130 130 SER HB2 H 1 4.220 0.04 . 2 . . . . 229 SER HB2 . 7089 1 1369 . 1 1 130 130 SER C C 13 175.600 0.30 . 1 . . . . 229 SER C . 7089 1 1370 . 1 1 130 130 SER CA C 13 55.580 0.30 . 1 . . . . 229 SER CA . 7089 1 1371 . 1 1 130 130 SER CB C 13 65.100 0.30 . 1 . . . . 229 SER CB . 7089 1 1372 . 1 1 130 130 SER N N 15 114.530 0.40 . 1 . . . . 229 SER N . 7089 1 1373 . 1 1 131 131 SER H H 1 8.870 0.04 . 1 . . . . 230 SER H . 7089 1 1374 . 1 1 131 131 SER HA H 1 4.760 0.04 . 1 . . . . 230 SER HA . 7089 1 1375 . 1 1 131 131 SER HB2 H 1 3.980 0.04 . 2 . . . . 230 SER HB2 . 7089 1 1376 . 1 1 131 131 SER HB3 H 1 4.090 0.04 . 2 . . . . 230 SER HB3 . 7089 1 1377 . 1 1 131 131 SER C C 13 173.500 0.30 . 1 . . . . 230 SER C . 7089 1 1378 . 1 1 131 131 SER CA C 13 58.740 0.30 . 1 . . . . 230 SER CA . 7089 1 1379 . 1 1 131 131 SER CB C 13 64.220 0.30 . 1 . . . . 230 SER CB . 7089 1 1380 . 1 1 131 131 SER N N 15 120.140 0.40 . 1 . . . . 230 SER N . 7089 1 1381 . 1 1 132 132 ASP H H 1 8.940 0.04 . 1 . . . . 231 ASP H . 7089 1 1382 . 1 1 132 132 ASP HA H 1 4.840 0.04 . 1 . . . . 231 ASP HA . 7089 1 1383 . 1 1 132 132 ASP HB2 H 1 3.220 0.04 . 2 . . . . 231 ASP HB2 . 7089 1 1384 . 1 1 132 132 ASP HB3 H 1 3.040 0.04 . 2 . . . . 231 ASP HB3 . 7089 1 1385 . 1 1 132 132 ASP C C 13 174.900 0.30 . 1 . . . . 231 ASP C . 7089 1 1386 . 1 1 132 132 ASP CA C 13 51.430 0.30 . 1 . . . . 231 ASP CA . 7089 1 1387 . 1 1 132 132 ASP CB C 13 42.500 0.30 . 1 . . . . 231 ASP CB . 7089 1 1388 . 1 1 132 132 ASP N N 15 126.560 0.40 . 1 . . . . 231 ASP N . 7089 1 1389 . 1 1 133 133 PRO HA H 1 4.850 0.04 . 1 . . . . 232 PRO HA . 7089 1 1390 . 1 1 133 133 PRO HB3 H 1 2.140 0.04 . 2 . . . . 232 PRO HB3 . 7089 1 1391 . 1 1 133 133 PRO HD2 H 1 3.800 0.04 . 2 . . . . 232 PRO HD2 . 7089 1 1392 . 1 1 133 133 PRO HD3 H 1 3.93 0.04 . 2 . . . . 232 PRO HD3 . 7089 1 1393 . 1 1 133 133 PRO C C 13 177.800 0.30 . 1 . . . . 232 PRO C . 7089 1 1394 . 1 1 133 133 PRO CA C 13 63.200 0.30 . 1 . . . . 232 PRO CA . 7089 1 1395 . 1 1 133 133 PRO CB C 13 32.000 0.30 . 1 . . . . 232 PRO CB . 7089 1 1396 . 1 1 133 133 PRO CG C 13 27.400 0.30 . 1 . . . . 232 PRO CG . 7089 1 1397 . 1 1 133 133 PRO CD C 13 50.70 0.30 . 1 . . . . 232 PRO CD . 7089 1 1398 . 1 1 134 134 LYS H H 1 8.310 0.04 . 1 . . . . 233 LYS H . 7089 1 1399 . 1 1 134 134 LYS HA H 1 4.130 0.04 . 1 . . . . 233 LYS HA . 7089 1 1400 . 1 1 134 134 LYS HB2 H 1 1.77 0.04 . 2 . . . . 233 LYS HB2 . 7089 1 1401 . 1 1 134 134 LYS HB3 H 1 1.66 0.04 . 2 . . . . 233 LYS HB3 . 7089 1 1402 . 1 1 134 134 LYS HG2 H 1 1.360 0.04 . 2 . . . . 233 LYS HG2 . 7089 1 1403 . 1 1 134 134 LYS HD2 H 1 1.500 0.04 . 2 . . . . 233 LYS HD2 . 7089 1 1404 . 1 1 134 134 LYS HE3 H 1 3.030 0.04 . 2 . . . . 233 LYS HE3 . 7089 1 1405 . 1 1 134 134 LYS C C 13 176.800 0.30 . 1 . . . . 233 LYS C . 7089 1 1406 . 1 1 134 134 LYS CA C 13 56.440 0.30 . 1 . . . . 233 LYS CA . 7089 1 1407 . 1 1 134 134 LYS CB C 13 28.700 0.30 . 1 . . . . 233 LYS CB . 7089 1 1408 . 1 1 134 134 LYS CG C 13 24.200 0.30 . 1 . . . . 233 LYS CG . 7089 1 1409 . 1 1 134 134 LYS CD C 13 31.900 0.30 . 1 . . . . 233 LYS CD . 7089 1 1410 . 1 1 134 134 LYS CE C 13 41.100 0.30 . 1 . . . . 233 LYS CE . 7089 1 1411 . 1 1 134 134 LYS N N 15 116.890 0.40 . 1 . . . . 233 LYS N . 7089 1 1412 . 1 1 135 135 ALA H H 1 8.190 0.04 . 1 . . . . 234 ALA H . 7089 1 1413 . 1 1 135 135 ALA HA H 1 4.560 0.04 . 1 . . . . 234 ALA HA . 7089 1 1414 . 1 1 135 135 ALA HB1 H 1 1.800 0.04 . 1 . . . . 234 ALA HB . 7089 1 1415 . 1 1 135 135 ALA HB2 H 1 1.800 0.04 . 1 . . . . 234 ALA HB . 7089 1 1416 . 1 1 135 135 ALA HB3 H 1 1.800 0.04 . 1 . . . . 234 ALA HB . 7089 1 1417 . 1 1 135 135 ALA C C 13 179.500 0.30 . 1 . . . . 234 ALA C . 7089 1 1418 . 1 1 135 135 ALA CA C 13 52.080 0.30 . 1 . . . . 234 ALA CA . 7089 1 1419 . 1 1 135 135 ALA CB C 13 20.000 0.30 . 1 . . . . 234 ALA CB . 7089 1 1420 . 1 1 135 135 ALA N N 15 123.950 0.40 . 1 . . . . 234 ALA N . 7089 1 1421 . 1 1 136 136 VAL H H 1 11.380 0.04 . 1 . . . . 235 VAL H . 7089 1 1422 . 1 1 136 136 VAL HA H 1 4.250 0.04 . 1 . . . . 235 VAL HA . 7089 1 1423 . 1 1 136 136 VAL HB H 1 2.330 0.04 . 1 . . . . 235 VAL HB . 7089 1 1424 . 1 1 136 136 VAL HG11 H 1 1.140 0.04 . 2 . . . . 235 VAL HG1 . 7089 1 1425 . 1 1 136 136 VAL HG12 H 1 1.140 0.04 . 2 . . . . 235 VAL HG1 . 7089 1 1426 . 1 1 136 136 VAL HG13 H 1 1.140 0.04 . 2 . . . . 235 VAL HG1 . 7089 1 1427 . 1 1 136 136 VAL HG21 H 1 0.960 0.04 . 2 . . . . 235 VAL HG2 . 7089 1 1428 . 1 1 136 136 VAL HG22 H 1 0.960 0.04 . 2 . . . . 235 VAL HG2 . 7089 1 1429 . 1 1 136 136 VAL HG23 H 1 0.960 0.04 . 2 . . . . 235 VAL HG2 . 7089 1 1430 . 1 1 136 136 VAL CA C 13 64.950 0.30 . 1 . . . . 235 VAL CA . 7089 1 1431 . 1 1 136 136 VAL CB C 13 31.370 0.30 . 1 . . . . 235 VAL CB . 7089 1 1432 . 1 1 136 136 VAL CG1 C 13 20.400 0.30 . 1 . . . . 235 VAL CG1 . 7089 1 1433 . 1 1 136 136 VAL CG2 C 13 23.900 0.30 . 1 . . . . 235 VAL CG2 . 7089 1 1434 . 1 1 136 136 VAL N N 15 131.320 0.40 . 1 . . . . 235 VAL N . 7089 1 1435 . 1 1 137 137 MET H H 1 7.910 0.04 . 1 . . . . 236 MET H . 7089 1 1436 . 1 1 137 137 MET HA H 1 4.220 0.04 . 1 . . . . 236 MET HA . 7089 1 1437 . 1 1 137 137 MET HB2 H 1 2.180 0.04 . 2 . . . . 236 MET HB2 . 7089 1 1438 . 1 1 137 137 MET HB3 H 1 2.040 0.04 . 2 . . . . 236 MET HB3 . 7089 1 1439 . 1 1 137 137 MET HG2 H 1 2.960 0.04 . 2 . . . . 236 MET HG2 . 7089 1 1440 . 1 1 137 137 MET HE1 H 1 1.790 0.04 . 1 . . . . 236 MET HE . 7089 1 1441 . 1 1 137 137 MET HE2 H 1 1.790 0.04 . 1 . . . . 236 MET HE . 7089 1 1442 . 1 1 137 137 MET HE3 H 1 1.790 0.04 . 1 . . . . 236 MET HE . 7089 1 1443 . 1 1 137 137 MET C C 13 177.700 0.30 . 1 . . . . 236 MET C . 7089 1 1444 . 1 1 137 137 MET CA C 13 53.760 0.30 . 1 . . . . 236 MET CA . 7089 1 1445 . 1 1 137 137 MET CB C 13 27.340 0.30 . 1 . . . . 236 MET CB . 7089 1 1446 . 1 1 137 137 MET CG C 13 30.500 0.30 . 1 . . . . 236 MET CG . 7089 1 1447 . 1 1 137 137 MET CE C 13 20.500 0.30 . 1 . . . . 236 MET CE . 7089 1 1448 . 1 1 137 137 MET N N 15 115.150 0.40 . 1 . . . . 236 MET N . 7089 1 1449 . 1 1 138 138 PHE H H 1 8.010 0.04 . 1 . . . . 237 PHE H . 7089 1 1450 . 1 1 138 138 PHE HA H 1 3.860 0.04 . 1 . . . . 237 PHE HA . 7089 1 1451 . 1 1 138 138 PHE HB2 H 1 3.030 0.04 . 2 . . . . 237 PHE HB2 . 7089 1 1452 . 1 1 138 138 PHE HB3 H 1 3.210 0.04 . 2 . . . . 237 PHE HB3 . 7089 1 1453 . 1 1 138 138 PHE HD1 H 1 7.300 0.04 . 1 . . . . 237 PHE HD1 . 7089 1 1454 . 1 1 138 138 PHE HE1 H 1 7.360 0.04 . 1 . . . . 237 PHE HE1 . 7089 1 1455 . 1 1 138 138 PHE HZ H 1 7.070 0.04 . 1 . . . . 237 PHE HZ . 7089 1 1456 . 1 1 138 138 PHE C C 13 176.800 0.30 . 1 . . . . 237 PHE C . 7089 1 1457 . 1 1 138 138 PHE CA C 13 57.840 0.30 . 1 . . . . 237 PHE CA . 7089 1 1458 . 1 1 138 138 PHE CB C 13 40.250 0.30 . 1 . . . . 237 PHE CB . 7089 1 1459 . 1 1 138 138 PHE CD1 C 13 129.900 0.30 . 1 . . . . 237 PHE CD1 . 7089 1 1460 . 1 1 138 138 PHE CE1 C 13 128.900 0.30 . 1 . . . . 237 PHE CE1 . 7089 1 1461 . 1 1 138 138 PHE CZ C 13 129.400 0.30 . 1 . . . . 237 PHE CZ . 7089 1 1462 . 1 1 138 138 PHE N N 15 128.350 0.40 . 1 . . . . 237 PHE N . 7089 1 1463 . 1 1 139 139 PRO HA H 1 4.330 0.04 . 1 . . . . 238 PRO HA . 7089 1 1464 . 1 1 139 139 PRO HB3 H 1 2.050 0.04 . 2 . . . . 238 PRO HB3 . 7089 1 1465 . 1 1 139 139 PRO HG2 H 1 1.560 0.04 . 2 . . . . 238 PRO HG2 . 7089 1 1466 . 1 1 139 139 PRO HG3 H 1 1.410 0.04 . 2 . . . . 238 PRO HG3 . 7089 1 1467 . 1 1 139 139 PRO HD2 H 1 3.510 0.04 . 2 . . . . 238 PRO HD2 . 7089 1 1468 . 1 1 139 139 PRO HD3 H 1 3.500 0.04 . 2 . . . . 238 PRO HD3 . 7089 1 1469 . 1 1 139 139 PRO C C 13 176.300 0.30 . 1 . . . . 238 PRO C . 7089 1 1470 . 1 1 139 139 PRO CA C 13 65.610 0.30 . 1 . . . . 238 PRO CA . 7089 1 1471 . 1 1 139 139 PRO CB C 13 29.300 0.30 . 1 . . . . 238 PRO CB . 7089 1 1472 . 1 1 139 139 PRO CG C 13 25.660 0.30 . 1 . . . . 238 PRO CG . 7089 1 1473 . 1 1 139 139 PRO CD C 13 50.400 0.30 . 1 . . . . 238 PRO CD . 7089 1 1474 . 1 1 140 140 THR H H 1 6.390 0.04 . 1 . . . . 239 THR H . 7089 1 1475 . 1 1 140 140 THR HA H 1 4.120 0.04 . 1 . . . . 239 THR HA . 7089 1 1476 . 1 1 140 140 THR HB H 1 4.060 0.04 . 1 . . . . 239 THR HB . 7089 1 1477 . 1 1 140 140 THR HG21 H 1 1.240 0.04 . 1 . . . . 239 THR HG2 . 7089 1 1478 . 1 1 140 140 THR HG22 H 1 1.240 0.04 . 1 . . . . 239 THR HG2 . 7089 1 1479 . 1 1 140 140 THR HG23 H 1 1.240 0.04 . 1 . . . . 239 THR HG2 . 7089 1 1480 . 1 1 140 140 THR C C 13 173.500 0.30 . 1 . . . . 239 THR C . 7089 1 1481 . 1 1 140 140 THR CA C 13 61.420 0.30 . 1 . . . . 239 THR CA . 7089 1 1482 . 1 1 140 140 THR CB C 13 69.700 0.30 . 1 . . . . 239 THR CB . 7089 1 1483 . 1 1 140 140 THR CG2 C 13 21.800 0.30 . 1 . . . . 239 THR CG2 . 7089 1 1484 . 1 1 140 140 THR N N 15 111.880 0.40 . 1 . . . . 239 THR N . 7089 1 1485 . 1 1 141 141 TYR H H 1 8.410 0.04 . 1 . . . . 240 TYR H . 7089 1 1486 . 1 1 141 141 TYR HA H 1 4.280 0.04 . 1 . . . . 240 TYR HA . 7089 1 1487 . 1 1 141 141 TYR HB2 H 1 2.760 0.04 . 2 . . . . 240 TYR HB2 . 7089 1 1488 . 1 1 141 141 TYR HB3 H 1 3.020 0.04 . 2 . . . . 240 TYR HB3 . 7089 1 1489 . 1 1 141 141 TYR HD1 H 1 7.200 0.04 . 1 . . . . 240 TYR HD1 . 7089 1 1490 . 1 1 141 141 TYR HE1 H 1 6.980 0.04 . 1 . . . . 240 TYR HE1 . 7089 1 1491 . 1 1 141 141 TYR C C 13 174.600 0.30 . 1 . . . . 240 TYR C . 7089 1 1492 . 1 1 141 141 TYR CA C 13 59.060 0.30 . 1 . . . . 240 TYR CA . 7089 1 1493 . 1 1 141 141 TYR CB C 13 39.420 0.30 . 1 . . . . 240 TYR CB . 7089 1 1494 . 1 1 141 141 TYR CD1 C 13 129.700 0.30 . 1 . . . . 240 TYR CD1 . 7089 1 1495 . 1 1 141 141 TYR CE1 C 13 115.900 0.30 . 1 . . . . 240 TYR CE1 . 7089 1 1496 . 1 1 141 141 TYR N N 15 127.950 0.40 . 1 . . . . 240 TYR N . 7089 1 1497 . 1 1 142 142 LYS H H 1 7.420 0.04 . 1 . . . . 241 LYS H . 7089 1 1498 . 1 1 142 142 LYS HA H 1 4.030 0.04 . 1 . . . . 241 LYS HA . 7089 1 1499 . 1 1 142 142 LYS HB3 H 1 1.630 0.04 . 2 . . . . 241 LYS HB3 . 7089 1 1500 . 1 1 142 142 LYS HE3 H 1 3.000 0.04 . 2 . . . . 241 LYS HE3 . 7089 1 1501 . 1 1 142 142 LYS C C 13 173.700 0.30 . 1 . . . . 241 LYS C . 7089 1 1502 . 1 1 142 142 LYS CA C 13 55.360 0.30 . 1 . . . . 241 LYS CA . 7089 1 1503 . 1 1 142 142 LYS CB C 13 35.010 0.30 . 1 . . . . 241 LYS CB . 7089 1 1504 . 1 1 142 142 LYS CG C 13 23.900 0.30 . 1 . . . . 241 LYS CG . 7089 1 1505 . 1 1 142 142 LYS CD C 13 29.300 0.30 . 1 . . . . 241 LYS CD . 7089 1 1506 . 1 1 142 142 LYS CE C 13 42.400 0.30 . 1 . . . . 241 LYS CE . 7089 1 1507 . 1 1 142 142 LYS N N 15 127.450 0.40 . 1 . . . . 241 LYS N . 7089 1 1508 . 1 1 143 143 TYR H H 1 8.540 0.04 . 1 . . . . 242 TYR H . 7089 1 1509 . 1 1 143 143 TYR HA H 1 3.860 0.04 . 1 . . . . 242 TYR HA . 7089 1 1510 . 1 1 143 143 TYR HB2 H 1 3.050 0.04 . 2 . . . . 242 TYR HB2 . 7089 1 1511 . 1 1 143 143 TYR HB3 H 1 2.740 0.04 . 2 . . . . 242 TYR HB3 . 7089 1 1512 . 1 1 143 143 TYR HD1 H 1 6.990 0.04 . 1 . . . . 242 TYR HD1 . 7089 1 1513 . 1 1 143 143 TYR HE1 H 1 6.740 0.04 . 1 . . . . 242 TYR HE1 . 7089 1 1514 . 1 1 143 143 TYR C C 13 175.200 0.30 . 1 . . . . 242 TYR C . 7089 1 1515 . 1 1 143 143 TYR CA C 13 60.900 0.30 . 1 . . . . 242 TYR CA . 7089 1 1516 . 1 1 143 143 TYR CB C 13 38.500 0.30 . 1 . . . . 242 TYR CB . 7089 1 1517 . 1 1 143 143 TYR CD1 C 13 131.000 0.30 . 1 . . . . 242 TYR CD1 . 7089 1 1518 . 1 1 143 143 TYR CE1 C 13 116.100 0.30 . 1 . . . . 242 TYR CE1 . 7089 1 1519 . 1 1 143 143 TYR N N 15 123.250 0.40 . 1 . . . . 242 TYR N . 7089 1 1520 . 1 1 144 144 VAL H H 1 5.870 0.04 . 1 . . . . 243 VAL H . 7089 1 1521 . 1 1 144 144 VAL HA H 1 3.880 0.04 . 1 . . . . 243 VAL HA . 7089 1 1522 . 1 1 144 144 VAL HB H 1 1.900 0.04 . 1 . . . . 243 VAL HB . 7089 1 1523 . 1 1 144 144 VAL HG11 H 1 0.820 0.04 . 2 . . . . 243 VAL HG1 . 7089 1 1524 . 1 1 144 144 VAL HG12 H 1 0.820 0.04 . 2 . . . . 243 VAL HG1 . 7089 1 1525 . 1 1 144 144 VAL HG13 H 1 0.820 0.04 . 2 . . . . 243 VAL HG1 . 7089 1 1526 . 1 1 144 144 VAL HG21 H 1 1.080 0.04 . 2 . . . . 243 VAL HG2 . 7089 1 1527 . 1 1 144 144 VAL HG22 H 1 1.080 0.04 . 2 . . . . 243 VAL HG2 . 7089 1 1528 . 1 1 144 144 VAL HG23 H 1 1.080 0.04 . 2 . . . . 243 VAL HG2 . 7089 1 1529 . 1 1 144 144 VAL C C 13 172.200 0.30 . 1 . . . . 243 VAL C . 7089 1 1530 . 1 1 144 144 VAL CA C 13 59.530 0.30 . 1 . . . . 243 VAL CA . 7089 1 1531 . 1 1 144 144 VAL CB C 13 35.400 0.30 . 1 . . . . 243 VAL CB . 7089 1 1532 . 1 1 144 144 VAL CG1 C 13 19.500 0.30 . 1 . . . . 243 VAL CG1 . 7089 1 1533 . 1 1 144 144 VAL CG2 C 13 21.400 0.30 . 1 . . . . 243 VAL CG2 . 7089 1 1534 . 1 1 144 144 VAL N N 15 124.130 0.40 . 1 . . . . 243 VAL N . 7089 1 1535 . 1 1 145 145 ASP H H 1 7.850 0.04 . 1 . . . . 244 ASP H . 7089 1 1536 . 1 1 145 145 ASP HA H 1 4.280 0.04 . 1 . . . . 244 ASP HA . 7089 1 1537 . 1 1 145 145 ASP HB2 H 1 2.720 0.04 . 2 . . . . 244 ASP HB2 . 7089 1 1538 . 1 1 145 145 ASP HB3 H 1 2.740 0.04 . 2 . . . . 244 ASP HB3 . 7089 1 1539 . 1 1 145 145 ASP C C 13 179.100 0.30 . 1 . . . . 244 ASP C . 7089 1 1540 . 1 1 145 145 ASP CA C 13 55.260 0.30 . 1 . . . . 244 ASP CA . 7089 1 1541 . 1 1 145 145 ASP CB C 13 42.100 0.30 . 1 . . . . 244 ASP CB . 7089 1 1542 . 1 1 145 145 ASP N N 15 118.510 0.40 . 1 . . . . 244 ASP N . 7089 1 1543 . 1 1 146 146 ILE H H 1 7.770 0.04 . 1 . . . . 245 ILE H . 7089 1 1544 . 1 1 146 146 ILE HA H 1 3.840 0.04 . 1 . . . . 245 ILE HA . 7089 1 1545 . 1 1 146 146 ILE HB H 1 1.960 0.04 . 1 . . . . 245 ILE HB . 7089 1 1546 . 1 1 146 146 ILE HG21 H 1 1.280 0.04 . 1 . . . . 245 ILE HG2 . 7089 1 1547 . 1 1 146 146 ILE HG22 H 1 1.280 0.04 . 1 . . . . 245 ILE HG2 . 7089 1 1548 . 1 1 146 146 ILE HG23 H 1 1.280 0.04 . 1 . . . . 245 ILE HG2 . 7089 1 1549 . 1 1 146 146 ILE HD11 H 1 0.800 0.04 . 1 . . . . 245 ILE HD1 . 7089 1 1550 . 1 1 146 146 ILE HD12 H 1 0.800 0.04 . 1 . . . . 245 ILE HD1 . 7089 1 1551 . 1 1 146 146 ILE HD13 H 1 0.800 0.04 . 1 . . . . 245 ILE HD1 . 7089 1 1552 . 1 1 146 146 ILE C C 13 177.400 0.30 . 1 . . . . 245 ILE C . 7089 1 1553 . 1 1 146 146 ILE CA C 13 64.650 0.30 . 1 . . . . 245 ILE CA . 7089 1 1554 . 1 1 146 146 ILE CB C 13 37.900 0.30 . 1 . . . . 245 ILE CB . 7089 1 1555 . 1 1 146 146 ILE CG2 C 13 18.200 0.30 . 1 . . . . 245 ILE CG2 . 7089 1 1556 . 1 1 146 146 ILE CG1 C 13 27.000 0.30 . 1 . . . . 245 ILE CG1 . 7089 1 1557 . 1 1 146 146 ILE CD1 C 13 14.000 0.30 . 1 . . . . 245 ILE CD1 . 7089 1 1558 . 1 1 146 146 ILE N N 15 124.230 0.40 . 1 . . . . 245 ILE N . 7089 1 1559 . 1 1 147 147 ASN H H 1 8.590 0.04 . 1 . . . . 246 ASN H . 7089 1 1560 . 1 1 147 147 ASN HA H 1 4.580 0.04 . 1 . . . . 246 ASN HA . 7089 1 1561 . 1 1 147 147 ASN HB2 H 1 2.980 0.04 . 2 . . . . 246 ASN HB2 . 7089 1 1562 . 1 1 147 147 ASN HB3 H 1 2.840 0.04 . 2 . . . . 246 ASN HB3 . 7089 1 1563 . 1 1 147 147 ASN HD21 H 1 7.050 0.04 . 2 . . . . 246 ASN HD21 . 7089 1 1564 . 1 1 147 147 ASN HD22 H 1 7.950 0.04 . 2 . . . . 246 ASN HD22 . 7089 1 1565 . 1 1 147 147 ASN C C 13 176.500 0.30 . 1 . . . . 246 ASN C . 7089 1 1566 . 1 1 147 147 ASN CA C 13 55.600 0.30 . 1 . . . . 246 ASN CA . 7089 1 1567 . 1 1 147 147 ASN CB C 13 38.420 0.30 . 1 . . . . 246 ASN CB . 7089 1 1568 . 1 1 147 147 ASN N N 15 118.560 0.40 . 1 . . . . 246 ASN N . 7089 1 1569 . 1 1 147 147 ASN ND2 N 15 115.000 0.40 . 1 . . . . 246 ASN ND2 . 7089 1 1570 . 1 1 148 148 THR H H 1 7.540 0.04 . 1 . . . . 247 THR H . 7089 1 1571 . 1 1 148 148 THR HA H 1 4.400 0.04 . 1 . . . . 247 THR HA . 7089 1 1572 . 1 1 148 148 THR HB H 1 3.830 0.04 . 1 . . . . 247 THR HB . 7089 1 1573 . 1 1 148 148 THR HG21 H 1 1.140 0.04 . 1 . . . . 247 THR HG2 . 7089 1 1574 . 1 1 148 148 THR HG22 H 1 1.140 0.04 . 1 . . . . 247 THR HG2 . 7089 1 1575 . 1 1 148 148 THR HG23 H 1 1.140 0.04 . 1 . . . . 247 THR HG2 . 7089 1 1576 . 1 1 148 148 THR C C 13 173.900 0.30 . 1 . . . . 247 THR C . 7089 1 1577 . 1 1 148 148 THR CA C 13 60.950 0.30 . 1 . . . . 247 THR CA . 7089 1 1578 . 1 1 148 148 THR CB C 13 69.270 0.30 . 1 . . . . 247 THR CB . 7089 1 1579 . 1 1 148 148 THR CG2 C 13 21.500 0.30 . 1 . . . . 247 THR CG2 . 7089 1 1580 . 1 1 148 148 THR N N 15 108.860 0.40 . 1 . . . . 247 THR N . 7089 1 1581 . 1 1 149 149 PHE H H 1 7.190 0.04 . 1 . . . . 248 PHE H . 7089 1 1582 . 1 1 149 149 PHE HA H 1 4.154 0.04 . 1 . . . . 248 PHE HA . 7089 1 1583 . 1 1 149 149 PHE HB2 H 1 3.110 0.04 . 2 . . . . 248 PHE HB2 . 7089 1 1584 . 1 1 149 149 PHE HB3 H 1 2.850 0.04 . 2 . . . . 248 PHE HB3 . 7089 1 1585 . 1 1 149 149 PHE HD1 H 1 7.320 0.04 . 1 . . . . 248 PHE HD1 . 7089 1 1586 . 1 1 149 149 PHE HE1 H 1 7.040 0.04 . 1 . . . . 248 PHE HE1 . 7089 1 1587 . 1 1 149 149 PHE HZ H 1 6.970 0.04 . 1 . . . . 248 PHE HZ . 7089 1 1588 . 1 1 149 149 PHE C C 13 174.600 0.30 . 1 . . . . 248 PHE C . 7089 1 1589 . 1 1 149 149 PHE CA C 13 60.000 0.30 . 1 . . . . 248 PHE CA . 7089 1 1590 . 1 1 149 149 PHE CB C 13 40.030 0.30 . 1 . . . . 248 PHE CB . 7089 1 1591 . 1 1 149 149 PHE CD1 C 13 132.000 0.30 . 1 . . . . 248 PHE CD1 . 7089 1 1592 . 1 1 149 149 PHE CE1 C 13 131.500 0.30 . 1 . . . . 248 PHE CE1 . 7089 1 1593 . 1 1 149 149 PHE CZ C 13 131.100 0.30 . 1 . . . . 248 PHE CZ . 7089 1 1594 . 1 1 149 149 PHE N N 15 123.200 0.40 . 1 . . . . 248 PHE N . 7089 1 1595 . 1 1 150 150 ARG H H 1 7.180 0.04 . 1 . . . . 249 ARG H . 7089 1 1596 . 1 1 150 150 ARG HA H 1 4.130 0.04 . 1 . . . . 249 ARG HA . 7089 1 1597 . 1 1 150 150 ARG HB3 H 1 1.660 0.04 . 2 . . . . 249 ARG HB3 . 7089 1 1598 . 1 1 150 150 ARG HG3 H 1 1.460 0.04 . 2 . . . . 249 ARG HG3 . 7089 1 1599 . 1 1 150 150 ARG HD3 H 1 3.090 0.04 . 2 . . . . 249 ARG HD3 . 7089 1 1600 . 1 1 150 150 ARG C C 13 174.600 0.30 . 1 . . . . 249 ARG C . 7089 1 1601 . 1 1 150 150 ARG CA C 13 54.340 0.30 . 1 . . . . 249 ARG CA . 7089 1 1602 . 1 1 150 150 ARG CB C 13 33.510 0.30 . 1 . . . . 249 ARG CB . 7089 1 1603 . 1 1 150 150 ARG CG C 13 26.200 0.30 . 1 . . . . 249 ARG CG . 7089 1 1604 . 1 1 150 150 ARG CD C 13 43.500 0.30 . 1 . . . . 249 ARG CD . 7089 1 1605 . 1 1 150 150 ARG N N 15 126.250 0.40 . 1 . . . . 249 ARG N . 7089 1 1606 . 1 1 151 151 LEU H H 1 8.180 0.04 . 1 . . . . 250 LEU H . 7089 1 1607 . 1 1 151 151 LEU HA H 1 3.920 0.04 . 1 . . . . 250 LEU HA . 7089 1 1608 . 1 1 151 151 LEU HB2 H 1 1.300 0.04 . 2 . . . . 250 LEU HB2 . 7089 1 1609 . 1 1 151 151 LEU HB3 H 1 1.460 0.04 . 2 . . . . 250 LEU HB3 . 7089 1 1610 . 1 1 151 151 LEU HG H 1 1.670 0.04 . 1 . . . . 250 LEU HG . 7089 1 1611 . 1 1 151 151 LEU HD11 H 1 0.330 0.04 . 2 . . . . 250 LEU HD1 . 7089 1 1612 . 1 1 151 151 LEU HD12 H 1 0.330 0.04 . 2 . . . . 250 LEU HD1 . 7089 1 1613 . 1 1 151 151 LEU HD13 H 1 0.330 0.04 . 2 . . . . 250 LEU HD1 . 7089 1 1614 . 1 1 151 151 LEU HD21 H 1 0.110 0.04 . 2 . . . . 250 LEU HD2 . 7089 1 1615 . 1 1 151 151 LEU HD22 H 1 0.110 0.04 . 2 . . . . 250 LEU HD2 . 7089 1 1616 . 1 1 151 151 LEU HD23 H 1 0.110 0.04 . 2 . . . . 250 LEU HD2 . 7089 1 1617 . 1 1 151 151 LEU C C 13 177.000 0.30 . 1 . . . . 250 LEU C . 7089 1 1618 . 1 1 151 151 LEU CA C 13 54.970 0.30 . 1 . . . . 250 LEU CA . 7089 1 1619 . 1 1 151 151 LEU CB C 13 43.100 0.30 . 1 . . . . 250 LEU CB . 7089 1 1620 . 1 1 151 151 LEU CG C 13 26.900 0.30 . 1 . . . . 250 LEU CG . 7089 1 1621 . 1 1 151 151 LEU CD1 C 13 22.500 0.30 . 1 . . . . 250 LEU CD1 . 7089 1 1622 . 1 1 151 151 LEU N N 15 120.940 0.40 . 1 . . . . 250 LEU N . 7089 1 1623 . 1 1 152 152 SER H H 1 9.000 0.04 . 1 . . . . 251 SER H . 7089 1 1624 . 1 1 152 152 SER HA H 1 4.200 0.04 . 1 . . . . 251 SER HA . 7089 1 1625 . 1 1 152 152 SER HB3 H 1 3.880 0.04 . 2 . . . . 251 SER HB3 . 7089 1 1626 . 1 1 152 152 SER C C 13 175.100 0.30 . 1 . . . . 251 SER C . 7089 1 1627 . 1 1 152 152 SER CA C 13 57.830 0.30 . 1 . . . . 251 SER CA . 7089 1 1628 . 1 1 152 152 SER CB C 13 65.800 0.30 . 1 . . . . 251 SER CB . 7089 1 1629 . 1 1 152 152 SER N N 15 118.210 0.40 . 1 . . . . 251 SER N . 7089 1 1630 . 1 1 153 153 ALA H H 1 8.860 0.04 . 1 . . . . 252 ALA H . 7089 1 1631 . 1 1 153 153 ALA HA H 1 4.540 0.04 . 1 . . . . 252 ALA HA . 7089 1 1632 . 1 1 153 153 ALA HB1 H 1 1.500 0.04 . 1 . . . . 252 ALA HB . 7089 1 1633 . 1 1 153 153 ALA HB2 H 1 1.500 0.04 . 1 . . . . 252 ALA HB . 7089 1 1634 . 1 1 153 153 ALA HB3 H 1 1.500 0.04 . 1 . . . . 252 ALA HB . 7089 1 1635 . 1 1 153 153 ALA C C 13 180.300 0.30 . 1 . . . . 252 ALA C . 7089 1 1636 . 1 1 153 153 ALA CA C 13 55.710 0.30 . 1 . . . . 252 ALA CA . 7089 1 1637 . 1 1 153 153 ALA CB C 13 18.200 0.30 . 1 . . . . 252 ALA CB . 7089 1 1638 . 1 1 153 153 ALA N N 15 123.680 0.40 . 1 . . . . 252 ALA N . 7089 1 1639 . 1 1 154 154 ASP H H 1 8.300 0.04 . 1 . . . . 253 ASP H . 7089 1 1640 . 1 1 154 154 ASP HA H 1 4.380 0.04 . 1 . . . . 253 ASP HA . 7089 1 1641 . 1 1 154 154 ASP HB2 H 1 2.860 0.04 . 2 . . . . 253 ASP HB2 . 7089 1 1642 . 1 1 154 154 ASP HB3 H 1 2.510 0.04 . 2 . . . . 253 ASP HB3 . 7089 1 1643 . 1 1 154 154 ASP C C 13 178.600 0.30 . 1 . . . . 253 ASP C . 7089 1 1644 . 1 1 154 154 ASP CA C 13 58.360 0.30 . 1 . . . . 253 ASP CA . 7089 1 1645 . 1 1 154 154 ASP CB C 13 43.800 0.30 . 1 . . . . 253 ASP CB . 7089 1 1646 . 1 1 154 154 ASP N N 15 117.490 0.40 . 1 . . . . 253 ASP N . 7089 1 1647 . 1 1 155 155 ASP H H 1 7.430 0.04 . 1 . . . . 254 ASP H . 7089 1 1648 . 1 1 155 155 ASP HA H 1 4.760 0.04 . 1 . . . . 254 ASP HA . 7089 1 1649 . 1 1 155 155 ASP HB2 H 1 3.090 0.04 . 2 . . . . 254 ASP HB2 . 7089 1 1650 . 1 1 155 155 ASP HB3 H 1 2.790 0.04 . 2 . . . . 254 ASP HB3 . 7089 1 1651 . 1 1 155 155 ASP C C 13 177.700 0.30 . 1 . . . . 254 ASP C . 7089 1 1652 . 1 1 155 155 ASP CA C 13 57.810 0.30 . 1 . . . . 254 ASP CA . 7089 1 1653 . 1 1 155 155 ASP CB C 13 44.300 0.30 . 1 . . . . 254 ASP CB . 7089 1 1654 . 1 1 155 155 ASP N N 15 118.830 0.40 . 1 . . . . 254 ASP N . 7089 1 1655 . 1 1 156 156 ILE H H 1 7.920 0.04 . 1 . . . . 255 ILE H . 7089 1 1656 . 1 1 156 156 ILE HA H 1 3.690 0.04 . 1 . . . . 255 ILE HA . 7089 1 1657 . 1 1 156 156 ILE HB H 1 1.770 0.04 . 1 . . . . 255 ILE HB . 7089 1 1658 . 1 1 156 156 ILE HG12 H 1 1.430 0.04 . 2 . . . . 255 ILE HG12 . 7089 1 1659 . 1 1 156 156 ILE HG13 H 1 1.610 0.04 . 2 . . . . 255 ILE HG13 . 7089 1 1660 . 1 1 156 156 ILE HG21 H 1 0.890 0.04 . 1 . . . . 255 ILE HG2 . 7089 1 1661 . 1 1 156 156 ILE HG22 H 1 0.890 0.04 . 1 . . . . 255 ILE HG2 . 7089 1 1662 . 1 1 156 156 ILE HG23 H 1 0.890 0.04 . 1 . . . . 255 ILE HG2 . 7089 1 1663 . 1 1 156 156 ILE HD11 H 1 0.780 0.04 . 1 . . . . 255 ILE HD1 . 7089 1 1664 . 1 1 156 156 ILE HD12 H 1 0.780 0.04 . 1 . . . . 255 ILE HD1 . 7089 1 1665 . 1 1 156 156 ILE HD13 H 1 0.780 0.04 . 1 . . . . 255 ILE HD1 . 7089 1 1666 . 1 1 156 156 ILE C C 13 177.600 0.30 . 1 . . . . 255 ILE C . 7089 1 1667 . 1 1 156 156 ILE CA C 13 65.520 0.30 . 1 . . . . 255 ILE CA . 7089 1 1668 . 1 1 156 156 ILE CB C 13 38.490 0.30 . 1 . . . . 255 ILE CB . 7089 1 1669 . 1 1 156 156 ILE CG1 C 13 27.200 0.30 . 1 . . . . 255 ILE CG1 . 7089 1 1670 . 1 1 156 156 ILE CD1 C 13 17.000 0.30 . 1 . . . . 255 ILE CD1 . 7089 1 1671 . 1 1 156 156 ILE N N 15 118.800 0.40 . 1 . . . . 255 ILE N . 7089 1 1672 . 1 1 157 157 ARG H H 1 8.480 0.04 . 1 . . . . 256 ARG H . 7089 1 1673 . 1 1 157 157 ARG HA H 1 4.130 0.04 . 1 . . . . 256 ARG HA . 7089 1 1674 . 1 1 157 157 ARG HB2 H 1 1.960 0.04 . 2 . . . . 256 ARG HB2 . 7089 1 1675 . 1 1 157 157 ARG HG2 H 1 1.760 0.04 . 2 . . . . 256 ARG HG2 . 7089 1 1676 . 1 1 157 157 ARG HD2 H 1 3.260 0.04 . 2 . . . . 256 ARG HD2 . 7089 1 1677 . 1 1 157 157 ARG C C 13 180.500 0.30 . 1 . . . . 256 ARG C . 7089 1 1678 . 1 1 157 157 ARG CA C 13 59.400 0.30 . 1 . . . . 256 ARG CA . 7089 1 1679 . 1 1 157 157 ARG CB C 13 29.850 0.30 . 1 . . . . 256 ARG CB . 7089 1 1680 . 1 1 157 157 ARG CG C 13 27.300 0.30 . 1 . . . . 256 ARG CG . 7089 1 1681 . 1 1 157 157 ARG CD C 13 43.500 0.30 . 1 . . . . 256 ARG CD . 7089 1 1682 . 1 1 157 157 ARG N N 15 119.230 0.40 . 1 . . . . 256 ARG N . 7089 1 1683 . 1 1 158 158 GLY H H 1 8.310 0.04 . 1 . . . . 257 GLY H . 7089 1 1684 . 1 1 158 158 GLY HA2 H 1 3.820 0.04 . 2 . . . . 257 GLY HA2 . 7089 1 1685 . 1 1 158 158 GLY HA3 H 1 3.970 0.04 . 2 . . . . 257 GLY HA3 . 7089 1 1686 . 1 1 158 158 GLY C C 13 177.000 0.30 . 1 . . . . 257 GLY C . 7089 1 1687 . 1 1 158 158 GLY CA C 13 47.400 0.30 . 1 . . . . 257 GLY CA . 7089 1 1688 . 1 1 158 158 GLY N N 15 108.170 0.40 . 1 . . . . 257 GLY N . 7089 1 1689 . 1 1 159 159 ILE H H 1 8.580 0.04 . 1 . . . . 258 ILE H . 7089 1 1690 . 1 1 159 159 ILE HA H 1 4.530 0.04 . 1 . . . . 258 ILE HA . 7089 1 1691 . 1 1 159 159 ILE HB H 1 2.170 0.04 . 1 . . . . 258 ILE HB . 7089 1 1692 . 1 1 159 159 ILE HG13 H 1 1.590 0.04 . 2 . . . . 258 ILE HG13 . 7089 1 1693 . 1 1 159 159 ILE HG21 H 1 0.890 0.04 . 1 . . . . 258 ILE HG2 . 7089 1 1694 . 1 1 159 159 ILE HG22 H 1 0.890 0.04 . 1 . . . . 258 ILE HG2 . 7089 1 1695 . 1 1 159 159 ILE HG23 H 1 0.890 0.04 . 1 . . . . 258 ILE HG2 . 7089 1 1696 . 1 1 159 159 ILE HD11 H 1 0.720 0.04 . 1 . . . . 258 ILE HD1 . 7089 1 1697 . 1 1 159 159 ILE HD12 H 1 0.720 0.04 . 1 . . . . 258 ILE HD1 . 7089 1 1698 . 1 1 159 159 ILE HD13 H 1 0.720 0.04 . 1 . . . . 258 ILE HD1 . 7089 1 1699 . 1 1 159 159 ILE C C 13 177.800 0.30 . 1 . . . . 258 ILE C . 7089 1 1700 . 1 1 159 159 ILE CA C 13 61.110 0.30 . 1 . . . . 258 ILE CA . 7089 1 1701 . 1 1 159 159 ILE CB C 13 31.900 0.30 . 1 . . . . 258 ILE CB . 7089 1 1702 . 1 1 159 159 ILE CG1 C 13 24.200 0.30 . 1 . . . . 258 ILE CG1 . 7089 1 1703 . 1 1 159 159 ILE CG2 C 13 20.600 0.30 . 1 . . . . 258 ILE CG2 . 7089 1 1704 . 1 1 159 159 ILE N N 15 123.360 0.40 . 1 . . . . 258 ILE N . 7089 1 1705 . 1 1 160 160 GLN H H 1 8.680 0.04 . 1 . . . . 259 GLN H . 7089 1 1706 . 1 1 160 160 GLN HA H 1 4.510 0.04 . 1 . . . . 259 GLN HA . 7089 1 1707 . 1 1 160 160 GLN HB2 H 1 2.270 0.04 . 2 . . . . 259 GLN HB2 . 7089 1 1708 . 1 1 160 160 GLN HB3 H 1 2.040 0.04 . 2 . . . . 259 GLN HB3 . 7089 1 1709 . 1 1 160 160 GLN HG2 H 1 2.960 0.04 . 2 . . . . 259 GLN HG2 . 7089 1 1710 . 1 1 160 160 GLN HG3 H 1 2.760 0.04 . 2 . . . . 259 GLN HG3 . 7089 1 1711 . 1 1 160 160 GLN HE21 H 1 7.750 0.04 . 2 . . . . 259 GLN HE21 . 7089 1 1712 . 1 1 160 160 GLN HE22 H 1 6.970 0.04 . 2 . . . . 259 GLN HE22 . 7089 1 1713 . 1 1 160 160 GLN C C 13 179.300 0.30 . 1 . . . . 259 GLN C . 7089 1 1714 . 1 1 160 160 GLN CA C 13 58.780 0.30 . 1 . . . . 259 GLN CA . 7089 1 1715 . 1 1 160 160 GLN CB C 13 27.000 0.30 . 1 . . . . 259 GLN CB . 7089 1 1716 . 1 1 160 160 GLN CG C 13 35.000 0.30 . 1 . . . . 259 GLN CG . 7089 1 1717 . 1 1 160 160 GLN N N 15 123.720 0.40 . 1 . . . . 259 GLN N . 7089 1 1718 . 1 1 160 160 GLN NE2 N 15 113.800 0.40 . 1 . . . . 259 GLN NE2 . 7089 1 1719 . 1 1 161 161 SER H H 1 7.980 0.04 . 1 . . . . 260 SER H . 7089 1 1720 . 1 1 161 161 SER HA H 1 4.290 0.04 . 1 . . . . 260 SER HA . 7089 1 1721 . 1 1 161 161 SER HB2 H 1 4.120 0.04 . 2 . . . . 260 SER HB2 . 7089 1 1722 . 1 1 161 161 SER HB3 H 1 4.020 0.04 . 2 . . . . 260 SER HB3 . 7089 1 1723 . 1 1 161 161 SER C C 13 175.100 0.30 . 1 . . . . 260 SER C . 7089 1 1724 . 1 1 161 161 SER CA C 13 61.420 0.30 . 1 . . . . 260 SER CA . 7089 1 1725 . 1 1 161 161 SER CB C 13 62.850 0.30 . 1 . . . . 260 SER CB . 7089 1 1726 . 1 1 161 161 SER N N 15 115.850 0.40 . 1 . . . . 260 SER N . 7089 1 1727 . 1 1 162 162 LEU H H 1 6.980 0.04 . 1 . . . . 261 LEU H . 7089 1 1728 . 1 1 162 162 LEU HA H 1 4.490 0.04 . 1 . . . . 261 LEU HA . 7089 1 1729 . 1 1 162 162 LEU HB2 H 1 1.880 0.04 . 2 . . . . 261 LEU HB2 . 7089 1 1730 . 1 1 162 162 LEU HB3 H 1 1.730 0.04 . 2 . . . . 261 LEU HB3 . 7089 1 1731 . 1 1 162 162 LEU HG H 1 1.58 0.04 . 2 . . . . 261 LEU HG . 7089 1 1732 . 1 1 162 162 LEU HD11 H 1 0.650 0.04 . 2 . . . . 261 LEU HD1 . 7089 1 1733 . 1 1 162 162 LEU HD12 H 1 0.650 0.04 . 2 . . . . 261 LEU HD1 . 7089 1 1734 . 1 1 162 162 LEU HD13 H 1 0.650 0.04 . 2 . . . . 261 LEU HD1 . 7089 1 1735 . 1 1 162 162 LEU HD21 H 1 0.800 0.04 . 2 . . . . 261 LEU HD2 . 7089 1 1736 . 1 1 162 162 LEU HD22 H 1 0.800 0.04 . 2 . . . . 261 LEU HD2 . 7089 1 1737 . 1 1 162 162 LEU HD23 H 1 0.800 0.04 . 2 . . . . 261 LEU HD2 . 7089 1 1738 . 1 1 162 162 LEU C C 13 177.600 0.30 . 1 . . . . 261 LEU C . 7089 1 1739 . 1 1 162 162 LEU CA C 13 56.690 0.30 . 1 . . . . 261 LEU CA . 7089 1 1740 . 1 1 162 162 LEU CB C 13 43.460 0.30 . 1 . . . . 261 LEU CB . 7089 1 1741 . 1 1 162 162 LEU CG C 13 26.00 0.30 . 1 . . . . 261 LEU CG . 7089 1 1742 . 1 1 162 162 LEU CD1 C 13 19.700 0.30 . 1 . . . . 261 LEU CD1 . 7089 1 1743 . 1 1 162 162 LEU CD2 C 13 23.000 0.30 . 1 . . . . 261 LEU CD2 . 7089 1 1744 . 1 1 162 162 LEU N N 15 119.000 0.40 . 1 . . . . 261 LEU N . 7089 1 1745 . 1 1 163 163 TYR H H 1 7.750 0.04 . 1 . . . . 262 TYR H . 7089 1 1746 . 1 1 163 163 TYR HA H 1 4.710 0.04 . 1 . . . . 262 TYR HA . 7089 1 1747 . 1 1 163 163 TYR HB2 H 1 2.790 0.04 . 2 . . . . 262 TYR HB2 . 7089 1 1748 . 1 1 163 163 TYR HB3 H 1 3.110 0.04 . 2 . . . . 262 TYR HB3 . 7089 1 1749 . 1 1 163 163 TYR HD1 H 1 7.310 0.04 . 1 . . . . 262 TYR HD1 . 7089 1 1750 . 1 1 163 163 TYR HE1 H 1 6.860 0.04 . 1 . . . . 262 TYR HE1 . 7089 1 1751 . 1 1 163 163 TYR C C 13 174.500 0.30 . 1 . . . . 262 TYR C . 7089 1 1752 . 1 1 163 163 TYR CA C 13 59.000 0.30 . 1 . . . . 262 TYR CA . 7089 1 1753 . 1 1 163 163 TYR CB C 13 40.780 0.30 . 1 . . . . 262 TYR CB . 7089 1 1754 . 1 1 163 163 TYR CD1 C 13 131.600 0.30 . 1 . . . . 262 TYR CD1 . 7089 1 1755 . 1 1 163 163 TYR CE1 C 13 116.000 0.30 . 1 . . . . 262 TYR CE1 . 7089 1 1756 . 1 1 163 163 TYR N N 15 114.630 0.40 . 1 . . . . 262 TYR N . 7089 1 1757 . 1 1 164 164 GLY H H 1 8.150 0.04 . 1 . . . . 263 GLY H . 7089 1 1758 . 1 1 164 164 GLY HA2 H 1 3.870 0.04 . 2 . . . . 263 GLY HA2 . 7089 1 1759 . 1 1 164 164 GLY HA3 H 1 4.490 0.04 . 2 . . . . 263 GLY HA3 . 7089 1 1760 . 1 1 164 164 GLY C C 13 174.600 0.30 . 1 . . . . 263 GLY C . 7089 1 1761 . 1 1 164 164 GLY CA C 13 47.400 0.30 . 1 . . . . 263 GLY CA . 7089 1 1762 . 1 1 164 164 GLY N N 15 115.840 0.40 . 1 . . . . 263 GLY N . 7089 1 stop_ save_