data_6391 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6391 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for the catalytic domain of MMP-12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-11-16 _Entry.Accession_date 2004-11-17 _Entry.Last_release_date 2005-04-08 _Entry.Original_release_date 2005-04-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; Chemical shift assignments, including side chains, for the catalytic domain of MMP-12. ; _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 Michelle Markus . A. . 6391 2 Brian Dwyer . . . 6391 3 Scott Wolfrom . . . 6391 4 Jianchang Li . . . 6391 5 Wei Li . . . 6391 6 Karl Malakian . . . 6391 7 James Wilhelm . . . 6391 8 Desiree Tsao . H.H. . 6391 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6391 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 6391 '15N chemical shifts' 169 6391 '1H chemical shifts' 980 6391 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 . . 2005-04-08 2004-11-16 original author . 6391 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6391 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N assignments of MMP-12, a key protease implicated in lung tissue remodeling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 3 _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 260 _Citation.Page_last 260 _Citation.Year 2005 _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 Michelle Markus . A. . 6391 1 2 Brian Dwyer . . . 6391 1 3 Scott Wolfrom . . . 6391 1 4 Jianchang Li . . . 6391 1 5 Wei Li . . . 6391 1 6 Karl Malakian . . . 6391 1 7 James Wilhelm . . . 6391 1 8 Desiree Tsao . H.H. . 6391 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'chemical shift assignments' 6391 1 'macrophage elastase' 6391 1 'matrix metalloprotease' 6391 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_mmp12 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_mmp12 _Assembly.Entry_ID 6391 _Assembly.ID 1 _Assembly.Name mmp12 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 18342.6 _Assembly.Enzyme_commission_number 3.4.24.65 _Assembly.Details 'Catalytic domain of mmp-12 with inhibitor.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 6391 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 mmp12 1 $mmp12 . . . native . . . . . 6391 1 2 inhibitor 2 $DSV . . . native . . . . . 6391 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID mmp12 abbreviation 6391 1 mmp12 system 6391 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'degrades elastin' 6391 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mmp12 _Entity.Sf_category entity _Entity.Sf_framecode mmp12 _Entity.Entry_ID 6391 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mmp12 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MFREMPGGPVWRKHYITYRI NNYTPDMNREDVDYAIRKAF QVWSNVTPLKFSKINTGMAD ILVVFARGAHGDFHAFDGKG GILAHAFGPGSGIGGDAHFD EDEFWTTHSGGTNLFLTAVH EIGHSLGLGHSSDPKAVMFP TYKYVDINTFRLSADDIRGI QSLYG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 18342.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The residue's author sequence code corresponds to the original publication of the full-length protein sequence. ; _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 . . . . . 95.76 366 98.73 98.73 8.63e-107 . . . . 6391 1 2 no BMRB 6444 . MMP12 . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 3 no BMRB 7089 . Metalloprotease . . . . . 99.39 164 99.39 99.39 2.68e-115 . . . . 6391 1 4 no BMRB 7415 . CAT_DOMAIN . . . . . 95.76 159 100.00 100.00 3.97e-111 . . . . 6391 1 5 no PDB 1JIZ . "Crystal Structure Analysis Of Human Macrophage Elastase Mmp- 12" . . . . . 99.39 166 100.00 100.00 3.76e-116 . . . . 6391 1 6 no PDB 1JK3 . "Crystal Structure Of Human Mmp-12 (Macrophage Elastase) At True Atomic Resolution" . . . . . 95.76 158 99.37 99.37 3.26e-110 . . . . 6391 1 7 no PDB 1OS2 . "Ternary Enzyme-Product-Inhibitor Complexes Of Human Mmp12" . . . . . 95.76 165 99.37 99.37 9.30e-110 . . . . 6391 1 8 no PDB 1OS9 . "Binary Enzyme-Product Complexes Of Human Mmp12" . . . . . 95.76 165 99.37 99.37 9.30e-110 . . . . 6391 1 9 no PDB 1RMZ . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor Nngh At 1.3 A Resolution" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 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" . . . . . 95.76 163 100.00 100.00 4.60e-111 . . . . 6391 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" . . . . . 95.76 159 100.00 100.00 4.77e-111 . . . . 6391 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" . . . . . 95.76 159 100.00 100.00 4.77e-111 . . . . 6391 1 13 no PDB 1Y93 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With Acetohydroxamic Acid At Atomic Resolution" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 14 no PDB 1YCM . "Solution Structure Of Matrix Metalloproteinase 12 (Mmp12) In The Presence Of N-Isobutyl-N-[4- Methoxyphenylsulfonyl]glycyl Hydr" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 15 no PDB 1Z3J . "Solution Structure Of Mmp12 In The Presence Of N-Isobutyl-N- 4-Methoxyphenylsulfonyl]glycyl Hydroxamic Acid (Nngh)" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 16 no PDB 2HU6 . "Crystal Structure Of Human Mmp-12 In Complex With Acetohydroxamic Acid And A Bicyclic Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 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" . . . . . 100.00 165 100.00 100.00 3.32e-117 . . . . 6391 1 18 no PDB 2K9C . "Paramagnetic Shifts In Solid-State Nmr Of Proteins To Elicit Structural Information" . . . . . 92.12 152 99.34 99.34 1.81e-104 . . . . 6391 1 19 no PDB 2KRJ . "High-Resolution Solid-State Nmr Structure Of A 17.6 Kda Prot" . . . . . 92.12 152 99.34 99.34 1.81e-104 . . . . 6391 1 20 no PDB 2MLR . "Membrane Bilayer Complex With Matrix Metalloproteinase-12 At Its Alpha-face" . . . . . 99.39 164 99.39 99.39 2.68e-115 . . . . 6391 1 21 no PDB 2MLS . "Membrane Bilayer Complex With Matrix Metalloproteinase-12 At Its Beta- Face" . . . . . 99.39 164 99.39 99.39 2.68e-115 . . . . 6391 1 22 no PDB 2OXU . "Uninhibited Form Of Human Mmp-12" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 23 no PDB 2OXW . "Human Mmp-12 Complexed With The Peptide Iag" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 24 no PDB 2OXZ . "Human Mmp-12 In Complex With Two Peptides Pqg And Iag" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 25 no PDB 2POJ . "Nmr Solution Structure Of The Inhibitor-Free State Of Macrophage Metalloelastase (Mmp-12)" . . . . . 99.39 164 99.39 99.39 2.68e-115 . . . . 6391 1 26 no PDB 2W0D . "Does A Fast Nuclear Magnetic Resonance Spectroscopy- And X-Ray Crystallography Hybrid Approach Provide Reliable Structural Info" . . . . . 95.76 164 99.37 99.37 5.56e-110 . . . . 6391 1 27 no PDB 2WO8 . "Mmp12 Complex With A Beta Hydroxy Carboxylic Acid" . . . . . 95.76 164 100.00 100.00 4.31e-111 . . . . 6391 1 28 no PDB 2WO9 . "Mmp12 Complex With A Beta Hydroxy Carboxylic Acid" . . . . . 95.76 164 100.00 100.00 4.31e-111 . . . . 6391 1 29 no PDB 2WOA . "Mmp12 Complex With A Beta Hydroxy Carboxylic Acid" . . . . . 95.76 164 100.00 100.00 4.31e-111 . . . . 6391 1 30 no PDB 2Z2D . "Solution Structure Of Human Macrophage Elastase (Mmp-12) Catalytic Domain Complexed With A Gamma-Keto Butanoic Acid Inhibitor" . . . . . 99.39 164 100.00 100.00 3.51e-116 . . . . 6391 1 31 no PDB 3BA0 . "Crystal Structure Of Full-Length Human Mmp-12" . . . . . 95.76 365 99.37 99.37 1.14e-107 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 33 no PDB 3EHY . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor (R)-2-(4- Methoxyphenylsulfonamido)propan" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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-" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 39 no PDB 3F1A . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor N-(2-Nitroso-2-Oxoethyl) Benzenesulfonami" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 40 no PDB 3LIK . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 41 no PDB 3LIL . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 42 no PDB 3LIR . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 43 no PDB 3LJG . "Human Mmp12 In Complex With Non-Zinc Chelating Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 44 no PDB 3LK8 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 Complexed With The Inhibitor Paramethoxy-Sulfonyl-Glycine Hydroxamate" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 45 no PDB 3LKA . "Catalytic Domain Of Human Mmp-12 Complexed With Hydroxamic Acid And Paramethoxy-Sulfonyl Amide" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 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" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 49 no PDB 3RTS . "Human Mmp-12 Catalytic Domain In Complex WithN-Hydroxy-2-(2- Phenylethylsulfonamido)acetamide" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 50 no PDB 3RTT . "Human Mmp-12 Catalytic Domain In Complex With(R)-N-Hydroxy-1- (Phenethylsulfonyl)pyrrolidine-2-Carboxamide" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 51 no PDB 3TS4 . "Human Mmp12 In Complex With L-Glutamate Motif Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 52 no PDB 3TSK . "Human Mmp12 In Complex With L-Glutamate Motif Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 53 no PDB 3UVC . "Mmp12 In A Complex With The Dimeric Adduct: 5-(5-Phenylhydantoin)-5- Phenylhydantoin" . . . . . 95.76 164 99.37 99.37 5.56e-110 . . . . 6391 1 54 no PDB 4EFS . "Human Mmp12 In Complex With L-Glutamate Motif Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 55 no PDB 4GQL . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470.1" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 56 no PDB 4GR0 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470b" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 57 no PDB 4GR3 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470a" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 58 no PDB 4GR8 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With Selective Phosphinic Inhibitor Rxp470c" . . . . . 92.12 152 99.34 99.34 1.59e-104 . . . . 6391 1 59 no PDB 4GUY . "Human Mmp12 Catalytic Domain In Complex WithN-Hydroxy-2-(2-(4- Methoxyphenyl)ethylsulfonamido)acetamide" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 60 no PDB 4H30 . "Crystal Structure Of The Catalytic Domain Of Mmp-12 In Complex With A Twin Inhibitor." . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 61 no PDB 4H49 . "Crystal Structure Of The Catalytic Domain Of Mmp-12 In Complex With A Twin Inhibitor." . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 62 no PDB 4H76 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With A Broad Spectrum Hydroxamate Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 63 no PDB 4H84 . "Crystal Structure Of The Catalytic Domain Of Human Mmp12 In Complex With A Selective Carboxylate Based Inhibitor" . . . . . 95.76 159 99.37 99.37 1.10e-109 . . . . 6391 1 64 no PDB 4I03 . "Human Mmp12 In Complex With A Peg-linked Bifunctional L-glutamate Motif Inhibitor" . . . . . 95.76 159 98.73 98.73 8.30e-109 . . . . 6391 1 65 no PDB 4IJO . "Unraveling Hidden Allosteric Regulatory Sites In Structurally Homologues Metalloproteases" . . . . . 95.76 158 99.37 99.37 9.63e-110 . . . . 6391 1 66 no DBJ BAG36675 . "unnamed protein product [Homo sapiens]" . . . . . 99.39 470 100.00 100.00 5.53e-114 . . . . 6391 1 67 no DBJ BAJ20684 . "matrix metallopeptidase 12 [synthetic construct]" . . . . . 99.39 470 100.00 100.00 5.53e-114 . . . . 6391 1 68 no GB AAA58658 . "metalloproteinase [Homo sapiens]" . . . . . 99.39 470 100.00 100.00 6.10e-114 . . . . 6391 1 69 no GB AAI12302 . "Matrix metalloproteinase 12, preproprotein [Homo sapiens]" . . . . . 99.39 470 100.00 100.00 5.53e-114 . . . . 6391 1 70 no GB AAI43774 . "Matrix metallopeptidase 12 (macrophage elastase) [Homo sapiens]" . . . . . 99.39 470 100.00 100.00 5.65e-114 . . . . 6391 1 71 no GB AAW29944 . "matrix metalloproteinase 12 (macrophage elastase) [Homo sapiens]" . . . . . 99.39 470 100.00 100.00 5.53e-114 . . . . 6391 1 72 no GB ADR83017 . "matrix metallopeptidase 12 (macrophage elastase) [synthetic construct]" . . . . . 99.39 470 100.00 100.00 5.53e-114 . . . . 6391 1 73 no REF NP_002417 . "macrophage metalloelastase preproprotein [Homo sapiens]" . . . . . 99.39 470 100.00 100.00 5.53e-114 . . . . 6391 1 74 no REF XP_003828422 . "PREDICTED: macrophage metalloelastase [Pan paniscus]" . . . . . 99.39 470 100.00 100.00 4.91e-114 . . . . 6391 1 75 no REF XP_004052087 . "PREDICTED: macrophage metalloelastase [Gorilla gorilla gorilla]" . . . . . 99.39 470 100.00 100.00 5.65e-114 . . . . 6391 1 76 no REF XP_508724 . "PREDICTED: macrophage metalloelastase [Pan troglodytes]" . . . . . 99.39 470 100.00 100.00 4.91e-114 . . . . 6391 1 77 no SP P39900 . "RecName: Full=Macrophage metalloelastase; Short=MME; AltName: Full=Macrophage elastase; Short=ME; Short=hME; AltName: Full=Matr" . . . . . 99.39 470 100.00 100.00 5.53e-114 . . . . 6391 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'degrades elastin' 6391 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'matrix metalloprotease 12' abbreviation 6391 1 'matrix metalloprotease 12' variant 6391 1 mmp12 common 6391 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 9004-06-2 . 6391 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 99 MET . 6391 1 2 100 PHE . 6391 1 3 101 ARG . 6391 1 4 102 GLU . 6391 1 5 103 MET . 6391 1 6 104 PRO . 6391 1 7 105 GLY . 6391 1 8 106 GLY . 6391 1 9 107 PRO . 6391 1 10 108 VAL . 6391 1 11 109 TRP . 6391 1 12 110 ARG . 6391 1 13 111 LYS . 6391 1 14 112 HIS . 6391 1 15 113 TYR . 6391 1 16 114 ILE . 6391 1 17 115 THR . 6391 1 18 116 TYR . 6391 1 19 117 ARG . 6391 1 20 118 ILE . 6391 1 21 119 ASN . 6391 1 22 120 ASN . 6391 1 23 121 TYR . 6391 1 24 122 THR . 6391 1 25 123 PRO . 6391 1 26 124 ASP . 6391 1 27 125 MET . 6391 1 28 126 ASN . 6391 1 29 127 ARG . 6391 1 30 128 GLU . 6391 1 31 129 ASP . 6391 1 32 130 VAL . 6391 1 33 131 ASP . 6391 1 34 132 TYR . 6391 1 35 133 ALA . 6391 1 36 134 ILE . 6391 1 37 135 ARG . 6391 1 38 136 LYS . 6391 1 39 137 ALA . 6391 1 40 138 PHE . 6391 1 41 139 GLN . 6391 1 42 140 VAL . 6391 1 43 141 TRP . 6391 1 44 142 SER . 6391 1 45 143 ASN . 6391 1 46 144 VAL . 6391 1 47 145 THR . 6391 1 48 146 PRO . 6391 1 49 147 LEU . 6391 1 50 148 LYS . 6391 1 51 149 PHE . 6391 1 52 150 SER . 6391 1 53 151 LYS . 6391 1 54 152 ILE . 6391 1 55 153 ASN . 6391 1 56 154 THR . 6391 1 57 155 GLY . 6391 1 58 156 MET . 6391 1 59 157 ALA . 6391 1 60 158 ASP . 6391 1 61 159 ILE . 6391 1 62 160 LEU . 6391 1 63 161 VAL . 6391 1 64 162 VAL . 6391 1 65 163 PHE . 6391 1 66 164 ALA . 6391 1 67 165 ARG . 6391 1 68 166 GLY . 6391 1 69 167 ALA . 6391 1 70 168 HIS . 6391 1 71 169 GLY . 6391 1 72 170 ASP . 6391 1 73 171 PHE . 6391 1 74 172 HIS . 6391 1 75 173 ALA . 6391 1 76 174 PHE . 6391 1 77 175 ASP . 6391 1 78 176 GLY . 6391 1 79 177 LYS . 6391 1 80 178 GLY . 6391 1 81 179 GLY . 6391 1 82 180 ILE . 6391 1 83 181 LEU . 6391 1 84 182 ALA . 6391 1 85 183 HIS . 6391 1 86 184 ALA . 6391 1 87 185 PHE . 6391 1 88 186 GLY . 6391 1 89 187 PRO . 6391 1 90 188 GLY . 6391 1 91 189 SER . 6391 1 92 190 GLY . 6391 1 93 191 ILE . 6391 1 94 192 GLY . 6391 1 95 193 GLY . 6391 1 96 194 ASP . 6391 1 97 195 ALA . 6391 1 98 196 HIS . 6391 1 99 197 PHE . 6391 1 100 198 ASP . 6391 1 101 199 GLU . 6391 1 102 200 ASP . 6391 1 103 201 GLU . 6391 1 104 202 PHE . 6391 1 105 203 TRP . 6391 1 106 204 THR . 6391 1 107 205 THR . 6391 1 108 206 HIS . 6391 1 109 207 SER . 6391 1 110 208 GLY . 6391 1 111 209 GLY . 6391 1 112 210 THR . 6391 1 113 211 ASN . 6391 1 114 212 LEU . 6391 1 115 213 PHE . 6391 1 116 214 LEU . 6391 1 117 215 THR . 6391 1 118 216 ALA . 6391 1 119 217 VAL . 6391 1 120 218 HIS . 6391 1 121 219 GLU . 6391 1 122 220 ILE . 6391 1 123 221 GLY . 6391 1 124 222 HIS . 6391 1 125 223 SER . 6391 1 126 224 LEU . 6391 1 127 225 GLY . 6391 1 128 226 LEU . 6391 1 129 227 GLY . 6391 1 130 228 HIS . 6391 1 131 229 SER . 6391 1 132 230 SER . 6391 1 133 231 ASP . 6391 1 134 232 PRO . 6391 1 135 233 LYS . 6391 1 136 234 ALA . 6391 1 137 235 VAL . 6391 1 138 236 MET . 6391 1 139 237 PHE . 6391 1 140 238 PRO . 6391 1 141 239 THR . 6391 1 142 240 TYR . 6391 1 143 241 LYS . 6391 1 144 242 TYR . 6391 1 145 243 VAL . 6391 1 146 244 ASP . 6391 1 147 245 ILE . 6391 1 148 246 ASN . 6391 1 149 247 THR . 6391 1 150 248 PHE . 6391 1 151 249 ARG . 6391 1 152 250 LEU . 6391 1 153 251 SER . 6391 1 154 252 ALA . 6391 1 155 253 ASP . 6391 1 156 254 ASP . 6391 1 157 255 ILE . 6391 1 158 256 ARG . 6391 1 159 257 GLY . 6391 1 160 258 ILE . 6391 1 161 259 GLN . 6391 1 162 260 SER . 6391 1 163 261 LEU . 6391 1 164 262 TYR . 6391 1 165 263 GLY . 6391 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 . MET 1 1 6391 1 . PHE 2 2 6391 1 . ARG 3 3 6391 1 . GLU 4 4 6391 1 . MET 5 5 6391 1 . PRO 6 6 6391 1 . GLY 7 7 6391 1 . GLY 8 8 6391 1 . PRO 9 9 6391 1 . VAL 10 10 6391 1 . TRP 11 11 6391 1 . ARG 12 12 6391 1 . LYS 13 13 6391 1 . HIS 14 14 6391 1 . TYR 15 15 6391 1 . ILE 16 16 6391 1 . THR 17 17 6391 1 . TYR 18 18 6391 1 . ARG 19 19 6391 1 . ILE 20 20 6391 1 . ASN 21 21 6391 1 . ASN 22 22 6391 1 . TYR 23 23 6391 1 . THR 24 24 6391 1 . PRO 25 25 6391 1 . ASP 26 26 6391 1 . MET 27 27 6391 1 . ASN 28 28 6391 1 . ARG 29 29 6391 1 . GLU 30 30 6391 1 . ASP 31 31 6391 1 . VAL 32 32 6391 1 . ASP 33 33 6391 1 . TYR 34 34 6391 1 . ALA 35 35 6391 1 . ILE 36 36 6391 1 . ARG 37 37 6391 1 . LYS 38 38 6391 1 . ALA 39 39 6391 1 . PHE 40 40 6391 1 . GLN 41 41 6391 1 . VAL 42 42 6391 1 . TRP 43 43 6391 1 . SER 44 44 6391 1 . ASN 45 45 6391 1 . VAL 46 46 6391 1 . THR 47 47 6391 1 . PRO 48 48 6391 1 . LEU 49 49 6391 1 . LYS 50 50 6391 1 . PHE 51 51 6391 1 . SER 52 52 6391 1 . LYS 53 53 6391 1 . ILE 54 54 6391 1 . ASN 55 55 6391 1 . THR 56 56 6391 1 . GLY 57 57 6391 1 . MET 58 58 6391 1 . ALA 59 59 6391 1 . ASP 60 60 6391 1 . ILE 61 61 6391 1 . LEU 62 62 6391 1 . VAL 63 63 6391 1 . VAL 64 64 6391 1 . PHE 65 65 6391 1 . ALA 66 66 6391 1 . ARG 67 67 6391 1 . GLY 68 68 6391 1 . ALA 69 69 6391 1 . HIS 70 70 6391 1 . GLY 71 71 6391 1 . ASP 72 72 6391 1 . PHE 73 73 6391 1 . HIS 74 74 6391 1 . ALA 75 75 6391 1 . PHE 76 76 6391 1 . ASP 77 77 6391 1 . GLY 78 78 6391 1 . LYS 79 79 6391 1 . GLY 80 80 6391 1 . GLY 81 81 6391 1 . ILE 82 82 6391 1 . LEU 83 83 6391 1 . ALA 84 84 6391 1 . HIS 85 85 6391 1 . ALA 86 86 6391 1 . PHE 87 87 6391 1 . GLY 88 88 6391 1 . PRO 89 89 6391 1 . GLY 90 90 6391 1 . SER 91 91 6391 1 . GLY 92 92 6391 1 . ILE 93 93 6391 1 . GLY 94 94 6391 1 . GLY 95 95 6391 1 . ASP 96 96 6391 1 . ALA 97 97 6391 1 . HIS 98 98 6391 1 . PHE 99 99 6391 1 . ASP 100 100 6391 1 . GLU 101 101 6391 1 . ASP 102 102 6391 1 . GLU 103 103 6391 1 . PHE 104 104 6391 1 . TRP 105 105 6391 1 . THR 106 106 6391 1 . THR 107 107 6391 1 . HIS 108 108 6391 1 . SER 109 109 6391 1 . GLY 110 110 6391 1 . GLY 111 111 6391 1 . THR 112 112 6391 1 . ASN 113 113 6391 1 . LEU 114 114 6391 1 . PHE 115 115 6391 1 . LEU 116 116 6391 1 . THR 117 117 6391 1 . ALA 118 118 6391 1 . VAL 119 119 6391 1 . HIS 120 120 6391 1 . GLU 121 121 6391 1 . ILE 122 122 6391 1 . GLY 123 123 6391 1 . HIS 124 124 6391 1 . SER 125 125 6391 1 . LEU 126 126 6391 1 . GLY 127 127 6391 1 . LEU 128 128 6391 1 . GLY 129 129 6391 1 . HIS 130 130 6391 1 . SER 131 131 6391 1 . SER 132 132 6391 1 . ASP 133 133 6391 1 . PRO 134 134 6391 1 . LYS 135 135 6391 1 . ALA 136 136 6391 1 . VAL 137 137 6391 1 . MET 138 138 6391 1 . PHE 139 139 6391 1 . PRO 140 140 6391 1 . THR 141 141 6391 1 . TYR 142 142 6391 1 . LYS 143 143 6391 1 . TYR 144 144 6391 1 . VAL 145 145 6391 1 . ASP 146 146 6391 1 . ILE 147 147 6391 1 . ASN 148 148 6391 1 . THR 149 149 6391 1 . PHE 150 150 6391 1 . ARG 151 151 6391 1 . LEU 152 152 6391 1 . SER 153 153 6391 1 . ALA 154 154 6391 1 . ASP 155 155 6391 1 . ASP 156 156 6391 1 . ILE 157 157 6391 1 . ARG 158 158 6391 1 . GLY 159 159 6391 1 . ILE 160 160 6391 1 . GLN 161 161 6391 1 . SER 162 162 6391 1 . LEU 163 163 6391 1 . TYR 164 164 6391 1 . GLY 165 165 6391 1 stop_ save_ save_DSV _Entity.Sf_category entity _Entity.Sf_framecode DSV _Entity.Entry_ID 6391 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DSV _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 DSV _Entity.Nonpolymer_comp_label $chem_comp_DSV _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 . DSV . 6391 2 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 6391 _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 $mmp12 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6391 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 6391 _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 $mmp12 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . pET21a . . . . 6391 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DSV _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DSV _Chem_comp.Entry_ID 6391 _Chem_comp.ID DSV _Chem_comp.Provenance . _Chem_comp.Name N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code DSV _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2008-04-08 _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 DSV _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H17 N O4 S2' _Chem_comp.Formula_weight 363.451 _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 2K2G _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 Jun 17 11:42:47 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 CC(C)C(C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1 SMILES 'OpenEye OEToolkits' 1.5.0 6391 DSV CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2c3ccccc3sc2c1 SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6391 DSV CC(C)[C@H](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O SMILES_CANONICAL CACTVS 3.341 6391 DSV CC(C)[CH](N[S](=O)(=O)c1ccc2c(sc3ccccc23)c1)C(O)=O SMILES CACTVS 3.341 6391 DSV InChI=1S/C17H17NO4S2/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-13-12-5-3-4-6-14(12)23-15(13)9-11/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m0/s1 InChI InChI 1.03 6391 DSV O=C(O)C(NS(=O)(=O)c2ccc1c3ccccc3sc1c2)C(C)C SMILES ACDLabs 10.04 6391 DSV RZWYSEXQXOXWKA-INIZCTEOSA-N InChIKey InChI 1.03 6391 DSV 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 '(2S)-2-(dibenzothiophen-3-ylsulfonylamino)-3-methyl-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6391 DSV N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine 'SYSTEMATIC NAME' ACDLabs 10.04 6391 DSV 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 C1 . C1 . . C . . N 0 . . . . yes no . . . . 69.323 . 23.264 . 16.734 . 0.480 1.338 -0.119 1 . 6391 DSV C2 . C2 . . C . . N 0 . . . . yes no . . . . 68.419 . 22.246 . 16.355 . -0.146 0.452 -0.964 2 . 6391 DSV C3 . C3 . . C . . N 0 . . . . yes no . . . . 67.116 . 22.621 . 15.956 . -1.490 0.112 -0.767 3 . 6391 DSV C4 . C4 . . C . . N 0 . . . . yes no . . . . 66.720 . 23.959 . 15.897 . -2.193 0.675 0.289 4 . 6391 DSV C5 . C5 . . C . . N 0 . . . . yes no . . . . 67.600 . 24.965 . 16.332 . -1.537 1.580 1.146 5 . 6391 DSV C6 . C6 . . C . . N 0 . . . . yes no . . . . 68.884 . 24.607 . 16.817 . -0.218 1.903 0.937 6 . 6391 DSV S10 . S10 . . S . . N 0 . . . . yes no . . . . 65.806 . 21.525 . 15.481 . -2.517 -0.978 -1.685 7 . 6391 DSV C11 . C11 . . C . . N 0 . . . . yes no . . . . 64.735 . 22.887 . 15.096 . -3.908 -0.686 -0.653 8 . 6391 DSV C12 . C12 . . C . . N 0 . . . . yes no . . . . 65.348 . 24.115 . 15.348 . -3.591 0.213 0.355 9 . 6391 DSV CY1 . CY1 . . C . . N 0 . . . . yes no . . . . 63.418 . 22.799 . 14.593 . -5.202 -1.218 -0.726 10 . 6391 DSV CZ1 . CZ1 . . C . . N 0 . . . . yes no . . . . 62.707 . 23.996 . 14.338 . -6.157 -0.854 0.194 11 . 6391 DSV CZ2 . CZ2 . . C . . N 0 . . . . yes no . . . . 63.373 . 25.240 . 14.468 . -5.845 0.044 1.203 12 . 6391 DSV CY2 . CY2 . . C . . N 0 . . . . yes no . . . . 64.654 . 25.306 . 15.074 . -4.581 0.576 1.289 13 . 6391 DSV S21 . S21 . . S . . N 0 . . . . no no . . . . 71.006 . 22.859 . 17.096 . 2.173 1.751 -0.375 14 . 6391 DSV O22 . O22 . . O . . N 0 . . . . no no . . . . 71.288 . 21.526 . 16.656 . 2.444 1.503 -1.748 15 . 6391 DSV O23 . O23 . . O . . N 0 . . . . no no . . . . 71.302 . 23.241 . 18.445 . 2.375 3.015 0.241 16 . 6391 DSV N24 . N24 . . N . . N 0 . . . . no no . . . . 72.002 . 23.879 . 16.098 . 3.079 0.662 0.484 17 . 6391 DSV C10 . C10 . . C . . S 0 . . . . no no . . . . 73.269 . 24.362 . 16.633 . 3.062 -0.756 0.117 18 . 6391 DSV CBC . CBC . . C . . N 0 . . . . no no . . . . 74.309 . 23.223 . 16.693 . 4.447 -1.361 0.355 19 . 6391 DSV CC1 . CC1 . . C . . N 0 . . . . no no . . . . 75.563 . 23.611 . 17.484 . 4.429 -2.842 -0.029 20 . 6391 DSV CC2 . CC2 . . C . . N 0 . . . . no no . . . . 74.710 . 22.750 . 15.282 . 5.479 -0.625 -0.501 21 . 6391 DSV C37 . C37 . . C . . N 0 . . . . no no . . . . 73.787 . 25.547 . 15.793 . 2.045 -1.481 0.960 22 . 6391 DSV O39 . O39 . . O . . N 0 . . . . no no . . . . 74.900 . 25.634 . 15.370 . 1.400 -0.876 1.783 23 . 6391 DSV O40 . O40 . . O . . N 0 . . . . no no . . . . 72.826 . 26.480 . 15.594 . 1.855 -2.800 0.796 24 . 6391 DSV H2 . H2 . . H . . N 0 . . . . no no . . . . 68.716 . 21.208 . 16.370 . 0.403 0.015 -1.786 25 . 6391 DSV H5 . H5 . . H . . N 0 . . . . no no . . . . 67.301 . 26.002 . 16.297 . -2.074 2.024 1.971 26 . 6391 DSV H6 . H6 . . H . . N 0 . . . . no no . . . . 69.527 . 25.359 . 17.250 . 0.278 2.595 1.602 27 . 6391 DSV HY1 . HY1 . . H . . N 0 . . . . no no . . . . 62.963 . 21.838 . 14.407 . -5.451 -1.918 -1.510 28 . 6391 DSV HZ1 . HZ1 . . H . . N 0 . . . . no no . . . . 61.667 . 23.962 . 14.047 . -7.153 -1.268 0.130 29 . 6391 DSV HZ2 . HZ2 . . H . . N 0 . . . . no no . . . . 62.903 . 26.142 . 14.104 . -6.598 0.328 1.923 30 . 6391 DSV HY2 . HY2 . . H . . N 0 . . . . no no . . . . 65.091 . 26.262 . 15.322 . -4.345 1.275 2.078 31 . 6391 DSV HN24 . HN24 . . H . . N 0 . . . . no no . . . . 72.223 . 23.347 . 15.281 . 3.620 0.963 1.230 32 . 6391 DSV HC1 . HC1 . . H . . N 0 . . . . no no . . . . 76.417 . 23.704 . 16.797 . 3.694 -3.367 0.581 33 . 6391 DSV HC1A . HC1A . . H . . N 0 . . . . no no . . . . 75.394 . 24.573 . 17.990 . 4.165 -2.941 -1.082 34 . 6391 DSV HC1B . HC1B . . H . . N 0 . . . . no no . . . . 75.779 . 22.835 . 18.233 . 5.416 -3.273 0.141 35 . 6391 DSV HBC . HBC . . H . . N 0 . . . . no no . . . . 73.819 . 22.394 . 17.224 . 4.710 -1.262 1.408 36 . 6391 DSV HC2 . HC2 . . H . . N 0 . . . . no no . . . . 74.806 . 23.620 . 14.616 . 5.492 0.430 -0.228 37 . 6391 DSV HC2A . HC2A . . H . . N 0 . . . . no no . . . . 73.938 . 22.072 . 14.890 . 6.466 -1.056 -0.331 38 . 6391 DSV HC2B . HC2B . . H . . N 0 . . . . no no . . . . 75.673 . 22.220 . 15.333 . 5.215 -0.724 -1.554 39 . 6391 DSV H10 . H10 . . H . . N 0 . . . . no no . . . . 73.104 . 24.716 . 17.661 . 2.798 -0.855 -0.936 40 . 6391 DSV HO40 . HO40 . . H . . N 0 . . . . no no . . . . 73.179 . 27.194 . 15.076 . 1.192 -3.221 1.360 41 . 6391 DSV stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C2 C1 yes N 1 . 6391 DSV 2 . SING C1 C6 yes N 2 . 6391 DSV 3 . SING C1 S21 no N 3 . 6391 DSV 4 . SING C3 C2 yes N 4 . 6391 DSV 5 . SING C2 H2 no N 5 . 6391 DSV 6 . SING S10 C3 yes N 6 . 6391 DSV 7 . DOUB C4 C3 yes N 7 . 6391 DSV 8 . SING C12 C4 yes N 8 . 6391 DSV 9 . SING C4 C5 yes N 9 . 6391 DSV 10 . SING H5 C5 no N 10 . 6391 DSV 11 . DOUB C5 C6 yes N 11 . 6391 DSV 12 . SING C6 H6 no N 12 . 6391 DSV 13 . SING C11 S10 yes N 13 . 6391 DSV 14 . DOUB CY1 C11 yes N 14 . 6391 DSV 15 . SING C11 C12 yes N 15 . 6391 DSV 16 . DOUB CY2 C12 yes N 16 . 6391 DSV 17 . SING CZ1 CY1 yes N 17 . 6391 DSV 18 . SING HY1 CY1 no N 18 . 6391 DSV 19 . SING HZ1 CZ1 no N 19 . 6391 DSV 20 . DOUB CZ1 CZ2 yes N 20 . 6391 DSV 21 . SING HZ2 CZ2 no N 21 . 6391 DSV 22 . SING CZ2 CY2 yes N 22 . 6391 DSV 23 . SING CY2 HY2 no N 23 . 6391 DSV 24 . SING N24 S21 no N 24 . 6391 DSV 25 . DOUB O22 S21 no N 25 . 6391 DSV 26 . DOUB S21 O23 no N 26 . 6391 DSV 27 . SING HN24 N24 no N 27 . 6391 DSV 28 . SING N24 C10 no N 28 . 6391 DSV 29 . SING C37 C10 no N 29 . 6391 DSV 30 . SING C10 CBC no N 30 . 6391 DSV 31 . SING C10 H10 no N 31 . 6391 DSV 32 . SING CC2 CBC no N 32 . 6391 DSV 33 . SING CBC HBC no N 33 . 6391 DSV 34 . SING CBC CC1 no N 34 . 6391 DSV 35 . SING HC1 CC1 no N 35 . 6391 DSV 36 . SING CC1 HC1A no N 36 . 6391 DSV 37 . SING CC1 HC1B no N 37 . 6391 DSV 38 . SING HC2 CC2 no N 38 . 6391 DSV 39 . SING HC2B CC2 no N 39 . 6391 DSV 40 . SING HC2A CC2 no N 40 . 6391 DSV 41 . DOUB O39 C37 no N 41 . 6391 DSV 42 . SING O40 C37 no N 42 . 6391 DSV 43 . SING O40 HO40 no N 43 . 6391 DSV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 6391 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled MMP-12 (with bound inhibitor).' _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 mmp12 [U-15N] . . 1 $mmp12 . . 0.2 . . mM . . . . 6391 1 2 inhibitor . . . 2 $DSV . . 0.2 . . mM . . . . 6391 1 stop_ save_ save_13C15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_sample _Sample.Entry_ID 6391 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C 15N labelled MMP-12 (with bound inhibitor).' _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 mmp12 '[U-13C; U-15N]' . . 1 $mmp12 . . 0.7 . . mM . . . . 6391 2 2 inhibitor . . . 2 $DSV . . 0.7 . . mM . . . . 6391 2 stop_ save_ save_13C15N_D2O_sample _Sample.Sf_category sample _Sample.Sf_framecode 13C15N_D2O_sample _Sample.Entry_ID 6391 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N labelled MMP-12 (with bound inhibitor) in 2H2O.' _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 mmp12 '[U-13C; U-15N]' . . 1 $mmp12 . . 0.4 . . mM . . . . 6391 3 2 inhibitor . . . 2 $DSV . . 0.4 . . mM . . . . 6391 3 3 D2O . . . . . . . 100 . . % . . . . 6391 3 stop_ save_ save_10percent_13C_sample _Sample.Sf_category sample _Sample.Sf_framecode 10percent_13C_sample _Sample.Entry_ID 6391 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% 13C labelled MMP-12 with bound inhibitor.' _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 mmp12 '[U-10% 13C]' . . 1 $mmp12 . . 0.55 . . mM . . . . 6391 4 2 inhibitor . . . 2 $DSV . . 0.55 . . mM . . . . 6391 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions _Sample_condition_list.Entry_ID 6391 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'The same conditions have been used for all samples used in assignments.' 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 6.0 0.2 pH 6391 1 pressure 1 0.1 atm 6391 1 temperature 298 1.0 K 6391 1 stop_ save_ ############################ # Computer software used # ############################ save_peak_picking _Software.Sf_category software _Software.Sf_framecode peak_picking _Software.Entry_ID 6391 _Software.ID 1 _Software.Name PIPP _Software.Version 4.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dan Garrett' . . 6391 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 6391 1 stop_ save_ save_processing _Software.Sf_category software _Software.Sf_framecode processing _Software.Entry_ID 6391 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Frank Delaglio' . . 6391 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing spectra' 6391 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 6391 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Triple resonance, single-axis gradient, cryoprobe for most experiments.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6391 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 600MHz_spectrometer Bruker DRX . 600 'Triple resonance, single-axis gradient, cryoprobe for most experiments.' . . 6391 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6391 _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 HNCO . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 2 HNCA . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 3 HNCACB . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 5 HN(CA)CO . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 6 C(CO)NH . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 7 H(CCO)NH . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 9 'HCCH TOCSY' . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 10 HACAHB . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 11 HNHB . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 12 '1H13C HSQC' . . . . . . . . . . . . . . . . 1 $conditions . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6391 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HACAHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6391 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '1H13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6391 _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 TSP 'methyl carbon' . . . . ppm 0.0 external indirect 0.25144954 . . . 1 $entry_citation . . 1 $entry_citation 6391 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.00000000 . . . 1 $entry_citation . . 1 $entry_citation 6391 1 N 15 TSP nitrogen . . . . ppm 0.0 external indirect 0.10132900 . . . 1 $entry_citation . . 1 $entry_citation 6391 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 6391 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _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 'Backbone and side chain chemical shifts for MMP-12.' _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 HNCO . . . 6391 1 2 HNCA . . . 6391 1 3 HNCACB . . . 6391 1 4 CBCA(CO)NH . . . 6391 1 5 HN(CA)CO . . . 6391 1 6 C(CO)NH . . . 6391 1 7 H(CCO)NH . . . 6391 1 8 HBHA(CO)NH . . . 6391 1 9 'HCCH TOCSY' . . . 6391 1 10 HACAHB . . . 6391 1 11 HNHB . . . 6391 1 12 '1H13C HSQC' . . . 6391 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 $peak_picking . . 6391 1 2 $processing . . 6391 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.71 0.30 . 1 . . . . . . . . 6391 1 2 . 1 1 1 1 MET HA H 1 4.14 0.04 . 1 . . . . . . . . 6391 1 3 . 1 1 1 1 MET CB C 13 32.89 0.30 . 1 . . . . . . . . 6391 1 4 . 1 1 1 1 MET HB3 H 1 2.14 0.04 . 2 . . . . . . . . 6391 1 5 . 1 1 1 1 MET CG C 13 30.70 0.30 . 1 . . . . . . . . 6391 1 6 . 1 1 1 1 MET HG3 H 1 2.56 0.04 . 2 . . . . . . . . 6391 1 7 . 1 1 2 2 PHE C C 13 174.90 0.30 . 1 . . . . . . . . 6391 1 8 . 1 1 2 2 PHE CA C 13 57.81 0.30 . 1 . . . . . . . . 6391 1 9 . 1 1 2 2 PHE HA H 1 4.74 0.04 . 1 . . . . . . . . 6391 1 10 . 1 1 2 2 PHE CB C 13 39.84 0.30 . 1 . . . . . . . . 6391 1 11 . 1 1 2 2 PHE HB3 H 1 3.07 0.04 . 2 . . . . . . . . 6391 1 12 . 1 1 3 3 ARG N N 15 124.85 0.40 . 1 . . . . . . . . 6391 1 13 . 1 1 3 3 ARG H H 1 8.29 0.04 . 1 . . . . . . . . 6391 1 14 . 1 1 3 3 ARG C C 13 175.21 0.30 . 1 . . . . . . . . 6391 1 15 . 1 1 3 3 ARG CA C 13 55.72 0.30 . 1 . . . . . . . . 6391 1 16 . 1 1 3 3 ARG HA H 1 4.31 0.04 . 1 . . . . . . . . 6391 1 17 . 1 1 3 3 ARG CB C 13 31.21 0.30 . 1 . . . . . . . . 6391 1 18 . 1 1 3 3 ARG HB3 H 1 1.80 0.04 . 2 . . . . . . . . 6391 1 19 . 1 1 3 3 ARG HB2 H 1 1.70 0.04 . 2 . . . . . . . . 6391 1 20 . 1 1 3 3 ARG CG C 13 26.95 0.30 . 1 . . . . . . . . 6391 1 21 . 1 1 3 3 ARG HG3 H 1 1.60 0.04 . 2 . . . . . . . . 6391 1 22 . 1 1 3 3 ARG CD C 13 43.16 0.30 . 1 . . . . . . . . 6391 1 23 . 1 1 3 3 ARG HD2 H 1 3.19 0.04 . 2 . . . . . . . . 6391 1 24 . 1 1 4 4 GLU N N 15 123.44 0.40 . 1 . . . . . . . . 6391 1 25 . 1 1 4 4 GLU H H 1 8.37 0.04 . 1 . . . . . . . . 6391 1 26 . 1 1 4 4 GLU C C 13 175.96 0.30 . 1 . . . . . . . . 6391 1 27 . 1 1 4 4 GLU CA C 13 56.55 0.30 . 1 . . . . . . . . 6391 1 28 . 1 1 4 4 GLU HA H 1 4.17 0.04 . 1 . . . . . . . . 6391 1 29 . 1 1 4 4 GLU CB C 13 30.19 0.30 . 1 . . . . . . . . 6391 1 30 . 1 1 4 4 GLU HB3 H 1 1.92 0.04 . 2 . . . . . . . . 6391 1 31 . 1 1 4 4 GLU CG C 13 36.12 0.30 . 1 . . . . . . . . 6391 1 32 . 1 1 4 4 GLU HG3 H 1 2.37 0.04 . 2 . . . . . . . . 6391 1 33 . 1 1 5 5 MET N N 15 123.46 0.40 . 1 . . . . . . . . 6391 1 34 . 1 1 5 5 MET H H 1 8.35 0.04 . 1 . . . . . . . . 6391 1 35 . 1 1 5 5 MET C C 13 173.96 0.30 . 1 . . . . . . . . 6391 1 36 . 1 1 5 5 MET CA C 13 52.93 0.30 . 1 . . . . . . . . 6391 1 37 . 1 1 6 6 PRO C C 13 177.24 0.30 . 1 . . . . . . . . 6391 1 38 . 1 1 6 6 PRO CA C 13 63.33 0.30 . 1 . . . . . . . . 6391 1 39 . 1 1 6 6 PRO HA H 1 4.40 0.04 . 1 . . . . . . . . 6391 1 40 . 1 1 6 6 PRO CB C 13 32.06 0.30 . 1 . . . . . . . . 6391 1 41 . 1 1 6 6 PRO HB3 H 1 2.28 0.04 . 2 . . . . . . . . 6391 1 42 . 1 1 6 6 PRO HB2 H 1 1.92 0.04 . 2 . . . . . . . . 6391 1 43 . 1 1 6 6 PRO CG C 13 27.45 0.30 . 1 . . . . . . . . 6391 1 44 . 1 1 6 6 PRO HG3 H 1 2.00 0.04 . 2 . . . . . . . . 6391 1 45 . 1 1 6 6 PRO CD C 13 50.49 0.30 . 1 . . . . . . . . 6391 1 46 . 1 1 6 6 PRO HD3 H 1 3.79 0.04 . 2 . . . . . . . . 6391 1 47 . 1 1 6 6 PRO HD2 H 1 3.67 0.04 . 2 . . . . . . . . 6391 1 48 . 1 1 7 7 GLY N N 15 110.58 0.40 . 1 . . . . . . . . 6391 1 49 . 1 1 7 7 GLY H H 1 8.42 0.04 . 1 . . . . . . . . 6391 1 50 . 1 1 7 7 GLY C C 13 174.04 0.30 . 1 . . . . . . . . 6391 1 51 . 1 1 7 7 GLY CA C 13 45.12 0.30 . 1 . . . . . . . . 6391 1 52 . 1 1 7 7 GLY HA3 H 1 3.92 0.04 . 2 . . . . . . . . 6391 1 53 . 1 1 8 8 GLY N N 15 109.76 0.40 . 1 . . . . . . . . 6391 1 54 . 1 1 8 8 GLY H H 1 8.15 0.04 . 1 . . . . . . . . 6391 1 55 . 1 1 8 8 GLY C C 13 172.14 0.30 . 1 . . . . . . . . 6391 1 56 . 1 1 8 8 GLY CA C 13 43.90 0.30 . 1 . . . . . . . . 6391 1 57 . 1 1 8 8 GLY HA3 H 1 4.08 0.04 . 2 . . . . . . . . 6391 1 58 . 1 1 8 8 GLY HA2 H 1 3.96 0.04 . 2 . . . . . . . . 6391 1 59 . 1 1 9 9 PRO C C 13 175.61 0.30 . 1 . . . . . . . . 6391 1 60 . 1 1 9 9 PRO CA C 13 63.32 0.30 . 1 . . . . . . . . 6391 1 61 . 1 1 9 9 PRO HA H 1 4.39 0.04 . 1 . . . . . . . . 6391 1 62 . 1 1 9 9 PRO CB C 13 32.32 0.30 . 1 . . . . . . . . 6391 1 63 . 1 1 9 9 PRO HB3 H 1 2.12 0.04 . 2 . . . . . . . . 6391 1 64 . 1 1 9 9 PRO HB2 H 1 1.78 0.04 . 2 . . . . . . . . 6391 1 65 . 1 1 9 9 PRO CG C 13 27.23 0.30 . 1 . . . . . . . . 6391 1 66 . 1 1 9 9 PRO HG3 H 1 1.99 0.04 . 2 . . . . . . . . 6391 1 67 . 1 1 9 9 PRO CD C 13 49.59 0.30 . 1 . . . . . . . . 6391 1 68 . 1 1 9 9 PRO HD3 H 1 3.60 0.04 . 2 . . . . . . . . 6391 1 69 . 1 1 9 9 PRO HD2 H 1 3.55 0.04 . 2 . . . . . . . . 6391 1 70 . 1 1 10 10 VAL N N 15 111.64 0.40 . 1 . . . . . . . . 6391 1 71 . 1 1 10 10 VAL H H 1 7.27 0.04 . 1 . . . . . . . . 6391 1 72 . 1 1 10 10 VAL C C 13 176.37 0.30 . 1 . . . . . . . . 6391 1 73 . 1 1 10 10 VAL CA C 13 59.38 0.30 . 1 . . . . . . . . 6391 1 74 . 1 1 10 10 VAL HA H 1 4.48 0.04 . 1 . . . . . . . . 6391 1 75 . 1 1 10 10 VAL CB C 13 35.64 0.30 . 1 . . . . . . . . 6391 1 76 . 1 1 10 10 VAL HB H 1 2.20 0.04 . 1 . . . . . . . . 6391 1 77 . 1 1 10 10 VAL CG1 C 13 23.07 0.30 . 1 . . . . . . . . 6391 1 78 . 1 1 10 10 VAL HG11 H 1 0.77 0.04 . 2 . . . . . . . . 6391 1 79 . 1 1 10 10 VAL HG12 H 1 0.77 0.04 . 2 . . . . . . . . 6391 1 80 . 1 1 10 10 VAL HG13 H 1 0.77 0.04 . 2 . . . . . . . . 6391 1 81 . 1 1 10 10 VAL CG2 C 13 18.16 0.30 . 1 . . . . . . . . 6391 1 82 . 1 1 10 10 VAL HG21 H 1 0.70 0.04 . 2 . . . . . . . . 6391 1 83 . 1 1 10 10 VAL HG22 H 1 0.70 0.04 . 2 . . . . . . . . 6391 1 84 . 1 1 10 10 VAL HG23 H 1 0.70 0.04 . 2 . . . . . . . . 6391 1 85 . 1 1 11 11 TRP N N 15 123.81 0.40 . 1 . . . . . . . . 6391 1 86 . 1 1 11 11 TRP H H 1 8.21 0.04 . 1 . . . . . . . . 6391 1 87 . 1 1 11 11 TRP C C 13 176.88 0.30 . 1 . . . . . . . . 6391 1 88 . 1 1 11 11 TRP CA C 13 58.28 0.30 . 1 . . . . . . . . 6391 1 89 . 1 1 11 11 TRP HA H 1 4.52 0.04 . 1 . . . . . . . . 6391 1 90 . 1 1 11 11 TRP CB C 13 29.81 0.30 . 1 . . . . . . . . 6391 1 91 . 1 1 11 11 TRP HB3 H 1 3.49 0.04 . 2 . . . . . . . . 6391 1 92 . 1 1 11 11 TRP HB2 H 1 3.39 0.04 . 2 . . . . . . . . 6391 1 93 . 1 1 11 11 TRP CD1 C 13 126.95 0.30 . 1 . . . . . . . . 6391 1 94 . 1 1 11 11 TRP HD1 H 1 7.53 0.04 . 1 . . . . . . . . 6391 1 95 . 1 1 11 11 TRP CZ2 C 13 112.69 0.30 . 1 . . . . . . . . 6391 1 96 . 1 1 11 11 TRP HZ2 H 1 7.42 0.04 . 1 . . . . . . . . 6391 1 97 . 1 1 11 11 TRP NE1 N 15 128.27 0.40 . 1 . . . . . . . . 6391 1 98 . 1 1 11 11 TRP HE1 H 1 10.19 0.04 . 1 . . . . . . . . 6391 1 99 . 1 1 12 12 ARG N N 15 126.04 0.40 . 1 . . . . . . . . 6391 1 100 . 1 1 12 12 ARG H H 1 9.24 0.04 . 1 . . . . . . . . 6391 1 101 . 1 1 12 12 ARG C C 13 175.24 0.30 . 1 . . . . . . . . 6391 1 102 . 1 1 12 12 ARG CA C 13 55.44 0.30 . 1 . . . . . . . . 6391 1 103 . 1 1 12 12 ARG HA H 1 4.53 0.04 . 1 . . . . . . . . 6391 1 104 . 1 1 12 12 ARG CB C 13 28.68 0.30 . 1 . . . . . . . . 6391 1 105 . 1 1 12 12 ARG HB3 H 1 2.15 0.04 . 1 . . . . . . . . 6391 1 106 . 1 1 12 12 ARG HB2 H 1 1.85 0.04 . 1 . . . . . . . . 6391 1 107 . 1 1 12 12 ARG CG C 13 27.27 0.30 . 1 . . . . . . . . 6391 1 108 . 1 1 12 12 ARG HG3 H 1 1.84 0.04 . 2 . . . . . . . . 6391 1 109 . 1 1 12 12 ARG HG2 H 1 1.68 0.04 . 2 . . . . . . . . 6391 1 110 . 1 1 12 12 ARG CD C 13 43.01 0.30 . 1 . . . . . . . . 6391 1 111 . 1 1 12 12 ARG HD2 H 1 3.25 0.04 . 2 . . . . . . . . 6391 1 112 . 1 1 12 12 ARG NE N 15 86.18 0.40 . 1 . . . . . . . . 6391 1 113 . 1 1 12 12 ARG HE H 1 7.18 0.04 . 1 . . . . . . . . 6391 1 114 . 1 1 13 13 LYS N N 15 116.92 0.40 . 1 . . . . . . . . 6391 1 115 . 1 1 13 13 LYS H H 1 7.55 0.04 . 1 . . . . . . . . 6391 1 116 . 1 1 13 13 LYS C C 13 174.31 0.30 . 1 . . . . . . . . 6391 1 117 . 1 1 13 13 LYS CA C 13 54.41 0.30 . 1 . . . . . . . . 6391 1 118 . 1 1 13 13 LYS HA H 1 4.58 0.04 . 1 . . . . . . . . 6391 1 119 . 1 1 13 13 LYS CB C 13 34.08 0.30 . 1 . . . . . . . . 6391 1 120 . 1 1 13 13 LYS HB3 H 1 2.09 0.04 . 2 . . . . . . . . 6391 1 121 . 1 1 13 13 LYS HB2 H 1 2.01 0.04 . 2 . . . . . . . . 6391 1 122 . 1 1 13 13 LYS CG C 13 22.97 0.30 . 1 . . . . . . . . 6391 1 123 . 1 1 13 13 LYS HG3 H 1 1.52 0.04 . 2 . . . . . . . . 6391 1 124 . 1 1 13 13 LYS HG2 H 1 1.28 0.04 . 2 . . . . . . . . 6391 1 125 . 1 1 13 13 LYS CD C 13 30.08 0.30 . 1 . . . . . . . . 6391 1 126 . 1 1 13 13 LYS HD3 H 1 1.89 0.04 . 2 . . . . . . . . 6391 1 127 . 1 1 13 13 LYS HD2 H 1 1.81 0.04 . 2 . . . . . . . . 6391 1 128 . 1 1 13 13 LYS CE C 13 41.70 0.30 . 1 . . . . . . . . 6391 1 129 . 1 1 13 13 LYS HE2 H 1 3.07 0.04 . 2 . . . . . . . . 6391 1 130 . 1 1 14 14 HIS N N 15 115.14 0.40 . 1 . . . . . . . . 6391 1 131 . 1 1 14 14 HIS H H 1 8.48 0.04 . 1 . . . . . . . . 6391 1 132 . 1 1 14 14 HIS C C 13 172.75 0.30 . 1 . . . . . . . . 6391 1 133 . 1 1 14 14 HIS CA C 13 53.63 0.30 . 1 . . . . . . . . 6391 1 134 . 1 1 14 14 HIS HA H 1 4.88 0.04 . 1 . . . . . . . . 6391 1 135 . 1 1 14 14 HIS CB C 13 30.19 0.30 . 1 . . . . . . . . 6391 1 136 . 1 1 14 14 HIS HB3 H 1 3.46 0.04 . 1 . . . . . . . . 6391 1 137 . 1 1 14 14 HIS HB2 H 1 2.96 0.04 . 1 . . . . . . . . 6391 1 138 . 1 1 14 14 HIS CD2 C 13 116.81 0.30 . 1 . . . . . . . . 6391 1 139 . 1 1 14 14 HIS HD2 H 1 6.85 0.04 . 1 . . . . . . . . 6391 1 140 . 1 1 14 14 HIS CE1 C 13 137.24 0.30 . 1 . . . . . . . . 6391 1 141 . 1 1 14 14 HIS HE1 H 1 8.58 0.04 . 1 . . . . . . . . 6391 1 142 . 1 1 15 15 TYR N N 15 121.88 0.40 . 1 . . . . . . . . 6391 1 143 . 1 1 15 15 TYR H H 1 7.07 0.04 . 1 . . . . . . . . 6391 1 144 . 1 1 15 15 TYR C C 13 173.77 0.30 . 1 . . . . . . . . 6391 1 145 . 1 1 15 15 TYR CA C 13 56.69 0.30 . 1 . . . . . . . . 6391 1 146 . 1 1 15 15 TYR HA H 1 4.89 0.04 . 1 . . . . . . . . 6391 1 147 . 1 1 15 15 TYR CB C 13 38.32 0.30 . 1 . . . . . . . . 6391 1 148 . 1 1 15 15 TYR HB3 H 1 2.93 0.04 . 2 . . . . . . . . 6391 1 149 . 1 1 15 15 TYR HB2 H 1 2.79 0.04 . 2 . . . . . . . . 6391 1 150 . 1 1 15 15 TYR CD1 C 13 132.38 0.30 . 3 . . . . . . . . 6391 1 151 . 1 1 15 15 TYR HD1 H 1 7.02 0.04 . 3 . . . . . . . . 6391 1 152 . 1 1 15 15 TYR CE1 C 13 117.00 0.30 . 3 . . . . . . . . 6391 1 153 . 1 1 15 15 TYR HE1 H 1 6.73 0.04 . 3 . . . . . . . . 6391 1 154 . 1 1 16 16 ILE N N 15 129.78 0.40 . 1 . . . . . . . . 6391 1 155 . 1 1 16 16 ILE H H 1 8.32 0.04 . 1 . . . . . . . . 6391 1 156 . 1 1 16 16 ILE C C 13 175.22 0.30 . 1 . . . . . . . . 6391 1 157 . 1 1 16 16 ILE CA C 13 59.07 0.30 . 1 . . . . . . . . 6391 1 158 . 1 1 16 16 ILE HA H 1 4.22 0.04 . 1 . . . . . . . . 6391 1 159 . 1 1 16 16 ILE CB C 13 40.30 0.30 . 1 . . . . . . . . 6391 1 160 . 1 1 16 16 ILE HB H 1 1.36 0.04 . 1 . . . . . . . . 6391 1 161 . 1 1 16 16 ILE CG1 C 13 28.04 0.30 . 1 . . . . . . . . 6391 1 162 . 1 1 16 16 ILE HG13 H 1 0.81 0.04 . 2 . . . . . . . . 6391 1 163 . 1 1 16 16 ILE HG12 H 1 0.25 0.04 . 2 . . . . . . . . 6391 1 164 . 1 1 16 16 ILE CG2 C 13 16.83 0.30 . 1 . . . . . . . . 6391 1 165 . 1 1 16 16 ILE HG21 H 1 0.43 0.04 . 1 . . . . . . . . 6391 1 166 . 1 1 16 16 ILE HG22 H 1 0.43 0.04 . 1 . . . . . . . . 6391 1 167 . 1 1 16 16 ILE HG23 H 1 0.43 0.04 . 1 . . . . . . . . 6391 1 168 . 1 1 16 16 ILE CD1 C 13 12.67 0.30 . 1 . . . . . . . . 6391 1 169 . 1 1 16 16 ILE HD11 H 1 0.12 0.04 . 1 . . . . . . . . 6391 1 170 . 1 1 16 16 ILE HD12 H 1 0.12 0.04 . 1 . . . . . . . . 6391 1 171 . 1 1 16 16 ILE HD13 H 1 0.12 0.04 . 1 . . . . . . . . 6391 1 172 . 1 1 17 17 THR N N 15 118.65 0.40 . 1 . . . . . . . . 6391 1 173 . 1 1 17 17 THR H H 1 9.27 0.04 . 1 . . . . . . . . 6391 1 174 . 1 1 17 17 THR C C 13 174.52 0.30 . 1 . . . . . . . . 6391 1 175 . 1 1 17 17 THR CA C 13 58.65 0.30 . 1 . . . . . . . . 6391 1 176 . 1 1 17 17 THR HA H 1 5.39 0.04 . 1 . . . . . . . . 6391 1 177 . 1 1 17 17 THR CB C 13 72.59 0.30 . 1 . . . . . . . . 6391 1 178 . 1 1 17 17 THR HB H 1 4.15 0.04 . 1 . . . . . . . . 6391 1 179 . 1 1 17 17 THR CG2 C 13 21.99 0.30 . 1 . . . . . . . . 6391 1 180 . 1 1 17 17 THR HG21 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 181 . 1 1 17 17 THR HG22 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 182 . 1 1 17 17 THR HG23 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 183 . 1 1 18 18 TYR N N 15 118.69 0.40 . 1 . . . . . . . . 6391 1 184 . 1 1 18 18 TYR H H 1 8.67 0.04 . 1 . . . . . . . . 6391 1 185 . 1 1 18 18 TYR C C 13 171.77 0.30 . 1 . . . . . . . . 6391 1 186 . 1 1 18 18 TYR CA C 13 55.06 0.30 . 1 . . . . . . . . 6391 1 187 . 1 1 18 18 TYR HA H 1 5.89 0.04 . 1 . . . . . . . . 6391 1 188 . 1 1 18 18 TYR CB C 13 43.13 0.30 . 1 . . . . . . . . 6391 1 189 . 1 1 18 18 TYR HB3 H 1 2.38 0.04 . 1 . . . . . . . . 6391 1 190 . 1 1 18 18 TYR HB2 H 1 3.01 0.04 . 1 . . . . . . . . 6391 1 191 . 1 1 19 19 ARG N N 15 120.29 0.40 . 1 . . . . . . . . 6391 1 192 . 1 1 19 19 ARG H H 1 8.33 0.04 . 1 . . . . . . . . 6391 1 193 . 1 1 19 19 ARG C C 13 174.13 0.30 . 1 . . . . . . . . 6391 1 194 . 1 1 19 19 ARG CA C 13 54.65 0.30 . 1 . . . . . . . . 6391 1 195 . 1 1 19 19 ARG HA H 1 4.73 0.04 . 1 . . . . . . . . 6391 1 196 . 1 1 19 19 ARG CB C 13 35.34 0.30 . 1 . . . . . . . . 6391 1 197 . 1 1 19 19 ARG HB3 H 1 1.58 0.04 . 2 . . . . . . . . 6391 1 198 . 1 1 19 19 ARG CG C 13 27.39 0.30 . 1 . . . . . . . . 6391 1 199 . 1 1 19 19 ARG HG3 H 1 1.66 0.04 . 2 . . . . . . . . 6391 1 200 . 1 1 19 19 ARG CD C 13 43.51 0.30 . 1 . . . . . . . . 6391 1 201 . 1 1 19 19 ARG HD3 H 1 3.05 0.04 . 2 . . . . . . . . 6391 1 202 . 1 1 19 19 ARG HD2 H 1 2.92 0.04 . 2 . . . . . . . . 6391 1 203 . 1 1 19 19 ARG NE N 15 84.82 0.30 . 1 . . . . . . . . 6391 1 204 . 1 1 19 19 ARG HE H 1 7.28 0.04 . 1 . . . . . . . . 6391 1 205 . 1 1 20 20 ILE N N 15 128.45 0.40 . 1 . . . . . . . . 6391 1 206 . 1 1 20 20 ILE H H 1 9.20 0.04 . 1 . . . . . . . . 6391 1 207 . 1 1 20 20 ILE C C 13 175.09 0.30 . 1 . . . . . . . . 6391 1 208 . 1 1 20 20 ILE CA C 13 61.39 0.30 . 1 . . . . . . . . 6391 1 209 . 1 1 20 20 ILE HA H 1 4.41 0.04 . 1 . . . . . . . . 6391 1 210 . 1 1 20 20 ILE CB C 13 36.77 0.30 . 1 . . . . . . . . 6391 1 211 . 1 1 20 20 ILE HB H 1 1.81 0.04 . 1 . . . . . . . . 6391 1 212 . 1 1 20 20 ILE CG1 C 13 27.99 0.30 . 1 . . . . . . . . 6391 1 213 . 1 1 20 20 ILE HG13 H 1 1.83 0.04 . 2 . . . . . . . . 6391 1 214 . 1 1 20 20 ILE HG12 H 1 0.92 0.04 . 2 . . . . . . . . 6391 1 215 . 1 1 20 20 ILE CG2 C 13 16.76 0.30 . 1 . . . . . . . . 6391 1 216 . 1 1 20 20 ILE HG21 H 1 0.21 0.04 . 1 . . . . . . . . 6391 1 217 . 1 1 20 20 ILE HG22 H 1 0.21 0.04 . 1 . . . . . . . . 6391 1 218 . 1 1 20 20 ILE HG23 H 1 0.21 0.04 . 1 . . . . . . . . 6391 1 219 . 1 1 20 20 ILE CD1 C 13 13.52 0.30 . 1 . . . . . . . . 6391 1 220 . 1 1 20 20 ILE HD11 H 1 1.14 0.04 . 1 . . . . . . . . 6391 1 221 . 1 1 20 20 ILE HD12 H 1 1.14 0.04 . 1 . . . . . . . . 6391 1 222 . 1 1 20 20 ILE HD13 H 1 1.14 0.04 . 1 . . . . . . . . 6391 1 223 . 1 1 21 21 ASN N N 15 129.75 0.40 . 1 . . . . . . . . 6391 1 224 . 1 1 21 21 ASN H H 1 9.68 0.04 . 1 . . . . . . . . 6391 1 225 . 1 1 21 21 ASN C C 13 173.76 0.30 . 1 . . . . . . . . 6391 1 226 . 1 1 21 21 ASN CA C 13 56.26 0.30 . 1 . . . . . . . . 6391 1 227 . 1 1 21 21 ASN HA H 1 4.39 0.04 . 1 . . . . . . . . 6391 1 228 . 1 1 21 21 ASN CB C 13 41.55 0.30 . 1 . . . . . . . . 6391 1 229 . 1 1 21 21 ASN HB3 H 1 2.59 0.04 . 1 . . . . . . . . 6391 1 230 . 1 1 21 21 ASN HB2 H 1 3.15 0.04 . 1 . . . . . . . . 6391 1 231 . 1 1 21 21 ASN ND2 N 15 115.45 0.40 . 1 . . . . . . . . 6391 1 232 . 1 1 21 21 ASN HD21 H 1 7.53 0.04 . 2 . . . . . . . . 6391 1 233 . 1 1 21 21 ASN HD22 H 1 7.06 0.04 . 2 . . . . . . . . 6391 1 234 . 1 1 22 22 ASN N N 15 114.64 0.40 . 1 . . . . . . . . 6391 1 235 . 1 1 22 22 ASN H H 1 7.87 0.04 . 1 . . . . . . . . 6391 1 236 . 1 1 22 22 ASN C C 13 169.73 0.30 . 1 . . . . . . . . 6391 1 237 . 1 1 22 22 ASN CA C 13 51.97 0.30 . 1 . . . . . . . . 6391 1 238 . 1 1 22 22 ASN HA H 1 4.70 0.04 . 1 . . . . . . . . 6391 1 239 . 1 1 22 22 ASN CB C 13 38.38 0.30 . 1 . . . . . . . . 6391 1 240 . 1 1 22 22 ASN HB3 H 1 3.11 0.04 . 2 . . . . . . . . 6391 1 241 . 1 1 22 22 ASN HB2 H 1 3.02 0.04 . 2 . . . . . . . . 6391 1 242 . 1 1 22 22 ASN ND2 N 15 115.03 0.40 . 1 . . . . . . . . 6391 1 243 . 1 1 22 22 ASN HD21 H 1 7.88 0.04 . 2 . . . . . . . . 6391 1 244 . 1 1 22 22 ASN HD22 H 1 7.02 0.04 . 2 . . . . . . . . 6391 1 245 . 1 1 23 23 TYR N N 15 115.71 0.40 . 1 . . . . . . . . 6391 1 246 . 1 1 23 23 TYR H H 1 8.55 0.04 . 1 . . . . . . . . 6391 1 247 . 1 1 23 23 TYR C C 13 176.00 0.30 . 1 . . . . . . . . 6391 1 248 . 1 1 23 23 TYR CA C 13 58.74 0.30 . 1 . . . . . . . . 6391 1 249 . 1 1 23 23 TYR HA H 1 4.13 0.04 . 1 . . . . . . . . 6391 1 250 . 1 1 23 23 TYR CB C 13 40.75 0.30 . 1 . . . . . . . . 6391 1 251 . 1 1 23 23 TYR HB3 H 1 2.87 0.04 . 1 . . . . . . . . 6391 1 252 . 1 1 23 23 TYR HB2 H 1 2.65 0.04 . 1 . . . . . . . . 6391 1 253 . 1 1 23 23 TYR CD1 C 13 132.17 0.30 . 3 . . . . . . . . 6391 1 254 . 1 1 23 23 TYR HD1 H 1 6.99 0.04 . 3 . . . . . . . . 6391 1 255 . 1 1 23 23 TYR CE1 C 13 118.31 0.30 . 3 . . . . . . . . 6391 1 256 . 1 1 23 23 TYR HE1 H 1 6.91 0.04 . 3 . . . . . . . . 6391 1 257 . 1 1 24 24 THR CA C 13 58.63 0.30 . 1 . . . . . . . . 6391 1 258 . 1 1 24 24 THR HA H 1 4.38 0.04 . 1 . . . . . . . . 6391 1 259 . 1 1 24 24 THR CB C 13 66.92 0.30 . 1 . . . . . . . . 6391 1 260 . 1 1 24 24 THR HB H 1 3.46 0.04 . 1 . . . . . . . . 6391 1 261 . 1 1 24 24 THR CG2 C 13 18.83 0.30 . 1 . . . . . . . . 6391 1 262 . 1 1 24 24 THR HG21 H 1 0.53 0.04 . 1 . . . . . . . . 6391 1 263 . 1 1 24 24 THR HG22 H 1 0.53 0.04 . 1 . . . . . . . . 6391 1 264 . 1 1 24 24 THR HG23 H 1 0.53 0.04 . 1 . . . . . . . . 6391 1 265 . 1 1 25 25 PRO C C 13 177.08 0.30 . 1 . . . . . . . . 6391 1 266 . 1 1 25 25 PRO CA C 13 62.94 0.30 . 1 . . . . . . . . 6391 1 267 . 1 1 25 25 PRO HA H 1 4.69 0.04 . 1 . . . . . . . . 6391 1 268 . 1 1 25 25 PRO CB C 13 31.64 0.30 . 1 . . . . . . . . 6391 1 269 . 1 1 25 25 PRO HB3 H 1 2.28 0.04 . 2 . . . . . . . . 6391 1 270 . 1 1 25 25 PRO HB2 H 1 2.14 0.04 . 2 . . . . . . . . 6391 1 271 . 1 1 25 25 PRO CG C 13 26.69 0.30 . 1 . . . . . . . . 6391 1 272 . 1 1 25 25 PRO HG3 H 1 2.02 0.04 . 2 . . . . . . . . 6391 1 273 . 1 1 25 25 PRO CD C 13 50.30 0.30 . 1 . . . . . . . . 6391 1 274 . 1 1 25 25 PRO HD3 H 1 3.93 0.04 . 2 . . . . . . . . 6391 1 275 . 1 1 25 25 PRO HD2 H 1 3.59 0.04 . 2 . . . . . . . . 6391 1 276 . 1 1 26 26 ASP N N 15 123.15 0.40 . 1 . . . . . . . . 6391 1 277 . 1 1 26 26 ASP H H 1 8.88 0.04 . 1 . . . . . . . . 6391 1 278 . 1 1 26 26 ASP C C 13 175.73 0.30 . 1 . . . . . . . . 6391 1 279 . 1 1 26 26 ASP CA C 13 56.07 0.30 . 1 . . . . . . . . 6391 1 280 . 1 1 26 26 ASP HA H 1 4.15 0.04 . 1 . . . . . . . . 6391 1 281 . 1 1 26 26 ASP CB C 13 41.82 0.30 . 1 . . . . . . . . 6391 1 282 . 1 1 26 26 ASP HB3 H 1 2.82 0.04 . 1 . . . . . . . . 6391 1 283 . 1 1 26 26 ASP HB2 H 1 2.64 0.04 . 1 . . . . . . . . 6391 1 284 . 1 1 27 27 MET N N 15 114.47 0.40 . 1 . . . . . . . . 6391 1 285 . 1 1 27 27 MET H H 1 7.00 0.04 . 1 . . . . . . . . 6391 1 286 . 1 1 27 27 MET C C 13 174.72 0.30 . 1 . . . . . . . . 6391 1 287 . 1 1 27 27 MET CA C 13 53.34 0.30 . 1 . . . . . . . . 6391 1 288 . 1 1 27 27 MET HA H 1 4.65 0.04 . 1 . . . . . . . . 6391 1 289 . 1 1 27 27 MET CB C 13 39.13 0.30 . 1 . . . . . . . . 6391 1 290 . 1 1 27 27 MET HB3 H 1 2.30 0.04 . 1 . . . . . . . . 6391 1 291 . 1 1 27 27 MET HB2 H 1 1.48 0.04 . 1 . . . . . . . . 6391 1 292 . 1 1 27 27 MET CG C 13 31.97 0.30 . 1 . . . . . . . . 6391 1 293 . 1 1 27 27 MET HG3 H 1 2.42 0.04 . 2 . . . . . . . . 6391 1 294 . 1 1 27 27 MET HG2 H 1 2.16 0.04 . 2 . . . . . . . . 6391 1 295 . 1 1 27 27 MET CE C 13 16.55 0.30 . 1 . . . . . . . . 6391 1 296 . 1 1 27 27 MET HE1 H 1 1.84 0.04 . 1 . . . . . . . . 6391 1 297 . 1 1 27 27 MET HE2 H 1 1.84 0.04 . 1 . . . . . . . . 6391 1 298 . 1 1 27 27 MET HE3 H 1 1.84 0.04 . 1 . . . . . . . . 6391 1 299 . 1 1 28 28 ASN N N 15 120.02 0.40 . 1 . . . . . . . . 6391 1 300 . 1 1 28 28 ASN H H 1 8.96 0.04 . 1 . . . . . . . . 6391 1 301 . 1 1 28 28 ASN C C 13 177.21 0.30 . 1 . . . . . . . . 6391 1 302 . 1 1 28 28 ASN CA C 13 53.26 0.30 . 1 . . . . . . . . 6391 1 303 . 1 1 28 28 ASN HA H 1 4.67 0.04 . 1 . . . . . . . . 6391 1 304 . 1 1 28 28 ASN CB C 13 38.28 0.30 . 1 . . . . . . . . 6391 1 305 . 1 1 28 28 ASN HB3 H 1 2.97 0.04 . 2 . . . . . . . . 6391 1 306 . 1 1 28 28 ASN HB2 H 1 2.89 0.04 . 2 . . . . . . . . 6391 1 307 . 1 1 28 28 ASN ND2 N 15 115.12 0.40 . 1 . . . . . . . . 6391 1 308 . 1 1 28 28 ASN HD21 H 1 7.70 0.04 . 2 . . . . . . . . 6391 1 309 . 1 1 28 28 ASN HD22 H 1 7.00 0.04 . 2 . . . . . . . . 6391 1 310 . 1 1 29 29 ARG N N 15 127.16 0.40 . 1 . . . . . . . . 6391 1 311 . 1 1 29 29 ARG H H 1 8.98 0.04 . 1 . . . . . . . . 6391 1 312 . 1 1 29 29 ARG C C 13 177.95 0.30 . 1 . . . . . . . . 6391 1 313 . 1 1 29 29 ARG CA C 13 60.44 0.30 . 1 . . . . . . . . 6391 1 314 . 1 1 29 29 ARG HA H 1 3.82 0.04 . 1 . . . . . . . . 6391 1 315 . 1 1 29 29 ARG CB C 13 29.79 0.30 . 1 . . . . . . . . 6391 1 316 . 1 1 29 29 ARG HB3 H 1 1.42 0.04 . 1 . . . . . . . . 6391 1 317 . 1 1 29 29 ARG HB2 H 1 1.53 0.04 . 1 . . . . . . . . 6391 1 318 . 1 1 29 29 ARG CG C 13 26.49 0.30 . 1 . . . . . . . . 6391 1 319 . 1 1 29 29 ARG HG3 H 1 1.05 0.04 . 2 . . . . . . . . 6391 1 320 . 1 1 29 29 ARG CD C 13 43.10 0.30 . 1 . . . . . . . . 6391 1 321 . 1 1 29 29 ARG HD3 H 1 2.71 0.04 . 2 . . . . . . . . 6391 1 322 . 1 1 29 29 ARG HD2 H 1 2.64 0.04 . 2 . . . . . . . . 6391 1 323 . 1 1 29 29 ARG NE N 15 86.21 0.40 . 1 . . . . . . . . 6391 1 324 . 1 1 29 29 ARG HE H 1 6.90 0.04 . 1 . . . . . . . . 6391 1 325 . 1 1 30 30 GLU N N 15 117.53 0.40 . 1 . . . . . . . . 6391 1 326 . 1 1 30 30 GLU H H 1 9.12 0.04 . 1 . . . . . . . . 6391 1 327 . 1 1 30 30 GLU C C 13 179.29 0.30 . 1 . . . . . . . . 6391 1 328 . 1 1 30 30 GLU CA C 13 59.52 0.30 . 1 . . . . . . . . 6391 1 329 . 1 1 30 30 GLU HA H 1 4.15 0.04 . 1 . . . . . . . . 6391 1 330 . 1 1 30 30 GLU CB C 13 28.53 0.30 . 1 . . . . . . . . 6391 1 331 . 1 1 30 30 GLU HB3 H 1 2.05 0.04 . 2 . . . . . . . . 6391 1 332 . 1 1 30 30 GLU CG C 13 36.35 0.30 . 1 . . . . . . . . 6391 1 333 . 1 1 30 30 GLU HG3 H 1 2.38 0.04 . 2 . . . . . . . . 6391 1 334 . 1 1 30 30 GLU HG2 H 1 2.24 0.04 . 2 . . . . . . . . 6391 1 335 . 1 1 31 31 ASP N N 15 120.99 0.40 . 1 . . . . . . . . 6391 1 336 . 1 1 31 31 ASP H H 1 7.52 0.04 . 1 . . . . . . . . 6391 1 337 . 1 1 31 31 ASP C C 13 179.14 0.30 . 1 . . . . . . . . 6391 1 338 . 1 1 31 31 ASP CA C 13 57.11 0.30 . 1 . . . . . . . . 6391 1 339 . 1 1 31 31 ASP HA H 1 4.71 0.04 . 1 . . . . . . . . 6391 1 340 . 1 1 31 31 ASP CB C 13 40.73 0.30 . 1 . . . . . . . . 6391 1 341 . 1 1 31 31 ASP HB3 H 1 2.92 0.04 . 2 . . . . . . . . 6391 1 342 . 1 1 31 31 ASP HB2 H 1 2.71 0.04 . 2 . . . . . . . . 6391 1 343 . 1 1 32 32 VAL N N 15 125.17 0.40 . 1 . . . . . . . . 6391 1 344 . 1 1 32 32 VAL H H 1 7.80 0.04 . 1 . . . . . . . . 6391 1 345 . 1 1 32 32 VAL C C 13 177.13 0.30 . 1 . . . . . . . . 6391 1 346 . 1 1 32 32 VAL CA C 13 66.74 0.30 . 1 . . . . . . . . 6391 1 347 . 1 1 32 32 VAL HA H 1 3.60 0.04 . 1 . . . . . . . . 6391 1 348 . 1 1 32 32 VAL CB C 13 31.26 0.30 . 1 . . . . . . . . 6391 1 349 . 1 1 32 32 VAL HB H 1 2.66 0.04 . 1 . . . . . . . . 6391 1 350 . 1 1 32 32 VAL CG1 C 13 21.49 0.30 . 1 . . . . . . . . 6391 1 351 . 1 1 32 32 VAL HG11 H 1 1.00 0.04 . 2 . . . . . . . . 6391 1 352 . 1 1 32 32 VAL HG12 H 1 1.00 0.04 . 2 . . . . . . . . 6391 1 353 . 1 1 32 32 VAL HG13 H 1 1.00 0.04 . 2 . . . . . . . . 6391 1 354 . 1 1 32 32 VAL CG2 C 13 24.15 0.30 . 1 . . . . . . . . 6391 1 355 . 1 1 32 32 VAL HG21 H 1 1.06 0.04 . 2 . . . . . . . . 6391 1 356 . 1 1 32 32 VAL HG22 H 1 1.06 0.04 . 2 . . . . . . . . 6391 1 357 . 1 1 32 32 VAL HG23 H 1 1.06 0.04 . 2 . . . . . . . . 6391 1 358 . 1 1 33 33 ASP N N 15 119.63 0.40 . 1 . . . . . . . . 6391 1 359 . 1 1 33 33 ASP H H 1 8.43 0.04 . 1 . . . . . . . . 6391 1 360 . 1 1 33 33 ASP C C 13 179.56 0.30 . 1 . . . . . . . . 6391 1 361 . 1 1 33 33 ASP CA C 13 57.97 0.30 . 1 . . . . . . . . 6391 1 362 . 1 1 33 33 ASP HA H 1 4.42 0.04 . 1 . . . . . . . . 6391 1 363 . 1 1 33 33 ASP CB C 13 40.32 0.30 . 1 . . . . . . . . 6391 1 364 . 1 1 33 33 ASP HB3 H 1 2.75 0.04 . 1 . . . . . . . . 6391 1 365 . 1 1 33 33 ASP HB2 H 1 2.85 0.04 . 1 . . . . . . . . 6391 1 366 . 1 1 34 34 TYR N N 15 120.72 0.40 . 1 . . . . . . . . 6391 1 367 . 1 1 34 34 TYR H H 1 8.23 0.04 . 1 . . . . . . . . 6391 1 368 . 1 1 34 34 TYR C C 13 176.35 0.30 . 1 . . . . . . . . 6391 1 369 . 1 1 34 34 TYR CA C 13 61.60 0.30 . 1 . . . . . . . . 6391 1 370 . 1 1 34 34 TYR HA H 1 4.27 0.04 . 1 . . . . . . . . 6391 1 371 . 1 1 34 34 TYR CB C 13 38.69 0.30 . 1 . . . . . . . . 6391 1 372 . 1 1 34 34 TYR HB3 H 1 3.18 0.04 . 1 . . . . . . . . 6391 1 373 . 1 1 34 34 TYR HB2 H 1 3.39 0.04 . 1 . . . . . . . . 6391 1 374 . 1 1 34 34 TYR CD1 C 13 132.59 0.30 . 3 . . . . . . . . 6391 1 375 . 1 1 34 34 TYR HD1 H 1 7.23 0.04 . 3 . . . . . . . . 6391 1 376 . 1 1 34 34 TYR CE1 C 13 117.04 0.30 . 3 . . . . . . . . 6391 1 377 . 1 1 34 34 TYR HE1 H 1 6.79 0.04 . 3 . . . . . . . . 6391 1 378 . 1 1 35 35 ALA N N 15 122.49 0.40 . 1 . . . . . . . . 6391 1 379 . 1 1 35 35 ALA H H 1 8.13 0.04 . 1 . . . . . . . . 6391 1 380 . 1 1 35 35 ALA C C 13 179.26 0.30 . 1 . . . . . . . . 6391 1 381 . 1 1 35 35 ALA CA C 13 55.52 0.30 . 1 . . . . . . . . 6391 1 382 . 1 1 35 35 ALA HA H 1 4.01 0.04 . 1 . . . . . . . . 6391 1 383 . 1 1 35 35 ALA CB C 13 18.34 0.30 . 1 . . . . . . . . 6391 1 384 . 1 1 35 35 ALA HB1 H 1 1.57 0.04 . 1 . . . . . . . . 6391 1 385 . 1 1 35 35 ALA HB2 H 1 1.57 0.04 . 1 . . . . . . . . 6391 1 386 . 1 1 35 35 ALA HB3 H 1 1.57 0.04 . 1 . . . . . . . . 6391 1 387 . 1 1 36 36 ILE N N 15 115.16 0.40 . 1 . . . . . . . . 6391 1 388 . 1 1 36 36 ILE H H 1 8.08 0.04 . 1 . . . . . . . . 6391 1 389 . 1 1 36 36 ILE C C 13 177.14 0.30 . 1 . . . . . . . . 6391 1 390 . 1 1 36 36 ILE CA C 13 62.27 0.30 . 1 . . . . . . . . 6391 1 391 . 1 1 36 36 ILE HA H 1 3.57 0.04 . 1 . . . . . . . . 6391 1 392 . 1 1 36 36 ILE CB C 13 35.74 0.30 . 1 . . . . . . . . 6391 1 393 . 1 1 36 36 ILE HB H 1 2.20 0.04 . 1 . . . . . . . . 6391 1 394 . 1 1 36 36 ILE CG1 C 13 27.84 0.30 . 1 . . . . . . . . 6391 1 395 . 1 1 36 36 ILE HG13 H 1 1.68 0.04 . 2 . . . . . . . . 6391 1 396 . 1 1 36 36 ILE HG12 H 1 1.27 0.04 . 2 . . . . . . . . 6391 1 397 . 1 1 36 36 ILE CG2 C 13 18.82 0.30 . 1 . . . . . . . . 6391 1 398 . 1 1 36 36 ILE HG21 H 1 0.82 0.04 . 1 . . . . . . . . 6391 1 399 . 1 1 36 36 ILE HG22 H 1 0.82 0.04 . 1 . . . . . . . . 6391 1 400 . 1 1 36 36 ILE HG23 H 1 0.82 0.04 . 1 . . . . . . . . 6391 1 401 . 1 1 36 36 ILE CD1 C 13 8.95 0.30 . 1 . . . . . . . . 6391 1 402 . 1 1 36 36 ILE HD11 H 1 0.40 0.04 . 1 . . . . . . . . 6391 1 403 . 1 1 36 36 ILE HD12 H 1 0.40 0.04 . 1 . . . . . . . . 6391 1 404 . 1 1 36 36 ILE HD13 H 1 0.40 0.04 . 1 . . . . . . . . 6391 1 405 . 1 1 37 37 ARG N N 15 120.88 0.40 . 1 . . . . . . . . 6391 1 406 . 1 1 37 37 ARG H H 1 8.30 0.04 . 1 . . . . . . . . 6391 1 407 . 1 1 37 37 ARG C C 13 179.73 0.30 . 1 . . . . . . . . 6391 1 408 . 1 1 37 37 ARG CA C 13 60.15 0.30 . 1 . . . . . . . . 6391 1 409 . 1 1 37 37 ARG HA H 1 4.17 0.04 . 1 . . . . . . . . 6391 1 410 . 1 1 37 37 ARG CB C 13 30.13 0.30 . 1 . . . . . . . . 6391 1 411 . 1 1 37 37 ARG HB3 H 1 2.14 0.04 . 2 . . . . . . . . 6391 1 412 . 1 1 37 37 ARG HB2 H 1 2.04 0.04 . 2 . . . . . . . . 6391 1 413 . 1 1 37 37 ARG CG C 13 26.99 0.30 . 1 . . . . . . . . 6391 1 414 . 1 1 37 37 ARG HG3 H 1 1.85 0.04 . 2 . . . . . . . . 6391 1 415 . 1 1 37 37 ARG HG2 H 1 1.70 0.04 . 2 . . . . . . . . 6391 1 416 . 1 1 37 37 ARG CD C 13 43.76 0.30 . 1 . . . . . . . . 6391 1 417 . 1 1 37 37 ARG HD3 H 1 3.36 0.04 . 2 . . . . . . . . 6391 1 418 . 1 1 37 37 ARG NE N 15 86.61 0.40 . 1 . . . . . . . . 6391 1 419 . 1 1 37 37 ARG HE H 1 7.36 0.04 . 1 . . . . . . . . 6391 1 420 . 1 1 38 38 LYS N N 15 120.35 0.40 . 1 . . . . . . . . 6391 1 421 . 1 1 38 38 LYS H H 1 8.61 0.04 . 1 . . . . . . . . 6391 1 422 . 1 1 38 38 LYS C C 13 178.62 0.30 . 1 . . . . . . . . 6391 1 423 . 1 1 38 38 LYS CA C 13 58.35 0.30 . 1 . . . . . . . . 6391 1 424 . 1 1 38 38 LYS HA H 1 4.72 0.04 . 1 . . . . . . . . 6391 1 425 . 1 1 38 38 LYS CB C 13 31.27 0.30 . 1 . . . . . . . . 6391 1 426 . 1 1 38 38 LYS HB3 H 1 1.73 0.04 . 2 . . . . . . . . 6391 1 427 . 1 1 38 38 LYS CG C 13 24.66 0.30 . 1 . . . . . . . . 6391 1 428 . 1 1 38 38 LYS HG3 H 1 1.58 0.04 . 2 . . . . . . . . 6391 1 429 . 1 1 38 38 LYS HG2 H 1 1.35 0.04 . 2 . . . . . . . . 6391 1 430 . 1 1 38 38 LYS HD3 H 1 1.06 0.04 . 2 . . . . . . . . 6391 1 431 . 1 1 38 38 LYS HE3 H 1 3.10 0.04 . 2 . . . . . . . . 6391 1 432 . 1 1 39 39 ALA N N 15 124.56 0.40 . 1 . . . . . . . . 6391 1 433 . 1 1 39 39 ALA H H 1 8.04 0.04 . 1 . . . . . . . . 6391 1 434 . 1 1 39 39 ALA C C 13 178.57 0.30 . 1 . . . . . . . . 6391 1 435 . 1 1 39 39 ALA CA C 13 55.43 0.30 . 1 . . . . . . . . 6391 1 436 . 1 1 39 39 ALA HA H 1 3.96 0.04 . 1 . . . . . . . . 6391 1 437 . 1 1 39 39 ALA CB C 13 19.47 0.30 . 1 . . . . . . . . 6391 1 438 . 1 1 39 39 ALA HB1 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 439 . 1 1 39 39 ALA HB2 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 440 . 1 1 39 39 ALA HB3 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 441 . 1 1 40 40 PHE N N 15 115.20 0.40 . 1 . . . . . . . . 6391 1 442 . 1 1 40 40 PHE H H 1 7.72 0.04 . 1 . . . . . . . . 6391 1 443 . 1 1 40 40 PHE C C 13 178.63 0.30 . 1 . . . . . . . . 6391 1 444 . 1 1 40 40 PHE CA C 13 63.74 0.30 . 1 . . . . . . . . 6391 1 445 . 1 1 40 40 PHE HA H 1 3.77 0.04 . 1 . . . . . . . . 6391 1 446 . 1 1 40 40 PHE CB C 13 38.58 0.30 . 1 . . . . . . . . 6391 1 447 . 1 1 40 40 PHE HB3 H 1 2.71 0.04 . 2 . . . . . . . . 6391 1 448 . 1 1 40 40 PHE HB2 H 1 2.67 0.04 . 2 . . . . . . . . 6391 1 449 . 1 1 40 40 PHE CD1 C 13 131.06 0.30 . 3 . . . . . . . . 6391 1 450 . 1 1 40 40 PHE HD1 H 1 5.63 0.04 . 3 . . . . . . . . 6391 1 451 . 1 1 40 40 PHE CE1 C 13 129.89 0.30 . 3 . . . . . . . . 6391 1 452 . 1 1 40 40 PHE HE1 H 1 5.92 0.04 . 3 . . . . . . . . 6391 1 453 . 1 1 40 40 PHE CZ C 13 126.48 0.30 . 1 . . . . . . . . 6391 1 454 . 1 1 40 40 PHE HZ H 1 6.43 0.04 . 1 . . . . . . . . 6391 1 455 . 1 1 41 41 GLN N N 15 120.18 0.40 . 1 . . . . . . . . 6391 1 456 . 1 1 41 41 GLN H H 1 8.11 0.04 . 1 . . . . . . . . 6391 1 457 . 1 1 41 41 GLN C C 13 177.75 0.30 . 1 . . . . . . . . 6391 1 458 . 1 1 41 41 GLN CA C 13 58.29 0.30 . 1 . . . . . . . . 6391 1 459 . 1 1 41 41 GLN HA H 1 4.25 0.04 . 1 . . . . . . . . 6391 1 460 . 1 1 41 41 GLN CB C 13 28.50 0.30 . 1 . . . . . . . . 6391 1 461 . 1 1 41 41 GLN HB3 H 1 2.32 0.04 . 2 . . . . . . . . 6391 1 462 . 1 1 41 41 GLN CG C 13 34.12 0.30 . 1 . . . . . . . . 6391 1 463 . 1 1 41 41 GLN HG3 H 1 2.61 0.04 . 2 . . . . . . . . 6391 1 464 . 1 1 41 41 GLN HG2 H 1 2.51 0.04 . 2 . . . . . . . . 6391 1 465 . 1 1 41 41 GLN NE2 N 15 113.99 0.40 . 1 . . . . . . . . 6391 1 466 . 1 1 41 41 GLN HE21 H 1 7.65 0.04 . 2 . . . . . . . . 6391 1 467 . 1 1 41 41 GLN HE22 H 1 7.00 0.04 . 2 . . . . . . . . 6391 1 468 . 1 1 42 42 VAL N N 15 118.59 0.40 . 1 . . . . . . . . 6391 1 469 . 1 1 42 42 VAL H H 1 7.72 0.04 . 1 . . . . . . . . 6391 1 470 . 1 1 42 42 VAL C C 13 178.12 0.30 . 1 . . . . . . . . 6391 1 471 . 1 1 42 42 VAL CA C 13 66.06 0.30 . 1 . . . . . . . . 6391 1 472 . 1 1 42 42 VAL HA H 1 3.68 0.04 . 1 . . . . . . . . 6391 1 473 . 1 1 42 42 VAL CB C 13 30.97 0.30 . 1 . . . . . . . . 6391 1 474 . 1 1 42 42 VAL HB H 1 2.16 0.04 . 1 . . . . . . . . 6391 1 475 . 1 1 42 42 VAL CG1 C 13 21.86 0.30 . 1 . . . . . . . . 6391 1 476 . 1 1 42 42 VAL HG11 H 1 0.51 0.04 . 2 . . . . . . . . 6391 1 477 . 1 1 42 42 VAL HG12 H 1 0.51 0.04 . 2 . . . . . . . . 6391 1 478 . 1 1 42 42 VAL HG13 H 1 0.51 0.04 . 2 . . . . . . . . 6391 1 479 . 1 1 42 42 VAL CG2 C 13 22.95 0.30 . 1 . . . . . . . . 6391 1 480 . 1 1 42 42 VAL HG21 H 1 1.18 0.04 . 2 . . . . . . . . 6391 1 481 . 1 1 42 42 VAL HG22 H 1 1.18 0.04 . 2 . . . . . . . . 6391 1 482 . 1 1 42 42 VAL HG23 H 1 1.18 0.04 . 2 . . . . . . . . 6391 1 483 . 1 1 43 43 TRP N N 15 117.79 0.40 . 1 . . . . . . . . 6391 1 484 . 1 1 43 43 TRP H H 1 6.71 0.04 . 1 . . . . . . . . 6391 1 485 . 1 1 43 43 TRP C C 13 180.50 0.30 . 1 . . . . . . . . 6391 1 486 . 1 1 43 43 TRP CA C 13 58.28 0.30 . 1 . . . . . . . . 6391 1 487 . 1 1 43 43 TRP HA H 1 4.86 0.04 . 1 . . . . . . . . 6391 1 488 . 1 1 43 43 TRP CB C 13 30.41 0.30 . 1 . . . . . . . . 6391 1 489 . 1 1 43 43 TRP HB3 H 1 3.23 0.04 . 2 . . . . . . . . 6391 1 490 . 1 1 43 43 TRP HB2 H 1 3.11 0.04 . 2 . . . . . . . . 6391 1 491 . 1 1 43 43 TRP CD1 C 13 127.32 0.30 . 1 . . . . . . . . 6391 1 492 . 1 1 43 43 TRP HD1 H 1 6.85 0.04 . 1 . . . . . . . . 6391 1 493 . 1 1 43 43 TRP CE3 C 13 119.05 0.30 . 1 . . . . . . . . 6391 1 494 . 1 1 43 43 TRP HE3 H 1 7.39 0.04 . 1 . . . . . . . . 6391 1 495 . 1 1 43 43 TRP CZ3 C 13 120.87 0.30 . 1 . . . . . . . . 6391 1 496 . 1 1 43 43 TRP HZ3 H 1 6.76 0.04 . 1 . . . . . . . . 6391 1 497 . 1 1 43 43 TRP CH2 C 13 124.26 0.30 . 1 . . . . . . . . 6391 1 498 . 1 1 43 43 TRP HH2 H 1 6.68 0.04 . 1 . . . . . . . . 6391 1 499 . 1 1 43 43 TRP CZ2 C 13 114.36 0.30 . 1 . . . . . . . . 6391 1 500 . 1 1 43 43 TRP HZ2 H 1 7.05 0.04 . 1 . . . . . . . . 6391 1 501 . 1 1 43 43 TRP NE1 N 15 128.44 0.40 . 1 . . . . . . . . 6391 1 502 . 1 1 43 43 TRP HE1 H 1 9.80 0.04 . 1 . . . . . . . . 6391 1 503 . 1 1 44 44 SER N N 15 119.19 0.40 . 1 . . . . . . . . 6391 1 504 . 1 1 44 44 SER H H 1 9.07 0.04 . 1 . . . . . . . . 6391 1 505 . 1 1 44 44 SER C C 13 175.73 0.30 . 1 . . . . . . . . 6391 1 506 . 1 1 44 44 SER CA C 13 61.29 0.30 . 1 . . . . . . . . 6391 1 507 . 1 1 44 44 SER HA H 1 4.39 0.04 . 1 . . . . . . . . 6391 1 508 . 1 1 44 44 SER CB C 13 63.68 0.30 . 1 . . . . . . . . 6391 1 509 . 1 1 44 44 SER HB3 H 1 4.39 0.04 . 2 . . . . . . . . 6391 1 510 . 1 1 44 44 SER HB2 H 1 4.19 0.04 . 2 . . . . . . . . 6391 1 511 . 1 1 45 45 ASN N N 15 116.53 0.40 . 1 . . . . . . . . 6391 1 512 . 1 1 45 45 ASN H H 1 8.10 0.04 . 1 . . . . . . . . 6391 1 513 . 1 1 45 45 ASN C C 13 176.70 0.30 . 1 . . . . . . . . 6391 1 514 . 1 1 45 45 ASN CA C 13 54.86 0.30 . 1 . . . . . . . . 6391 1 515 . 1 1 45 45 ASN HA H 1 4.69 0.04 . 1 . . . . . . . . 6391 1 516 . 1 1 45 45 ASN CB C 13 39.04 0.30 . 1 . . . . . . . . 6391 1 517 . 1 1 45 45 ASN HB3 H 1 3.06 0.04 . 2 . . . . . . . . 6391 1 518 . 1 1 45 45 ASN HB2 H 1 2.98 0.04 . 2 . . . . . . . . 6391 1 519 . 1 1 45 45 ASN ND2 N 15 112.69 0.40 . 1 . . . . . . . . 6391 1 520 . 1 1 45 45 ASN HD21 H 1 7.64 0.04 . 2 . . . . . . . . 6391 1 521 . 1 1 45 45 ASN HD22 H 1 7.02 0.04 . 2 . . . . . . . . 6391 1 522 . 1 1 46 46 VAL N N 15 107.42 0.40 . 1 . . . . . . . . 6391 1 523 . 1 1 46 46 VAL H H 1 7.16 0.04 . 1 . . . . . . . . 6391 1 524 . 1 1 46 46 VAL C C 13 174.51 0.30 . 1 . . . . . . . . 6391 1 525 . 1 1 46 46 VAL CA C 13 60.21 0.30 . 1 . . . . . . . . 6391 1 526 . 1 1 46 46 VAL HA H 1 4.89 0.04 . 1 . . . . . . . . 6391 1 527 . 1 1 46 46 VAL CB C 13 32.51 0.30 . 1 . . . . . . . . 6391 1 528 . 1 1 46 46 VAL HB H 1 2.71 0.04 . 1 . . . . . . . . 6391 1 529 . 1 1 46 46 VAL CG1 C 13 21.63 0.30 . 1 . . . . . . . . 6391 1 530 . 1 1 46 46 VAL HG11 H 1 0.97 0.04 . 2 . . . . . . . . 6391 1 531 . 1 1 46 46 VAL HG12 H 1 0.97 0.04 . 2 . . . . . . . . 6391 1 532 . 1 1 46 46 VAL HG13 H 1 0.97 0.04 . 2 . . . . . . . . 6391 1 533 . 1 1 46 46 VAL CG2 C 13 19.04 0.30 . 1 . . . . . . . . 6391 1 534 . 1 1 46 46 VAL HG21 H 1 1.20 0.04 . 2 . . . . . . . . 6391 1 535 . 1 1 46 46 VAL HG22 H 1 1.20 0.04 . 2 . . . . . . . . 6391 1 536 . 1 1 46 46 VAL HG23 H 1 1.20 0.04 . 2 . . . . . . . . 6391 1 537 . 1 1 47 47 THR N N 15 111.69 0.40 . 1 . . . . . . . . 6391 1 538 . 1 1 47 47 THR H H 1 7.51 0.04 . 1 . . . . . . . . 6391 1 539 . 1 1 47 47 THR C C 13 173.13 0.30 . 1 . . . . . . . . 6391 1 540 . 1 1 47 47 THR CA C 13 59.89 0.30 . 1 . . . . . . . . 6391 1 541 . 1 1 47 47 THR HA H 1 5.26 0.04 . 1 . . . . . . . . 6391 1 542 . 1 1 47 47 THR CB C 13 72.28 0.30 . 1 . . . . . . . . 6391 1 543 . 1 1 47 47 THR HB H 1 4.04 0.04 . 1 . . . . . . . . 6391 1 544 . 1 1 47 47 THR CG2 C 13 24.27 0.30 . 1 . . . . . . . . 6391 1 545 . 1 1 47 47 THR HG21 H 1 1.49 0.04 . 1 . . . . . . . . 6391 1 546 . 1 1 47 47 THR HG22 H 1 1.49 0.04 . 1 . . . . . . . . 6391 1 547 . 1 1 47 47 THR HG23 H 1 1.49 0.04 . 1 . . . . . . . . 6391 1 548 . 1 1 48 48 PRO C C 13 176.01 0.30 . 1 . . . . . . . . 6391 1 549 . 1 1 48 48 PRO CA C 13 62.16 0.30 . 1 . . . . . . . . 6391 1 550 . 1 1 48 48 PRO HA H 1 4.79 0.04 . 1 . . . . . . . . 6391 1 551 . 1 1 48 48 PRO CB C 13 30.91 0.30 . 1 . . . . . . . . 6391 1 552 . 1 1 48 48 PRO HB3 H 1 2.15 0.04 . 2 . . . . . . . . 6391 1 553 . 1 1 48 48 PRO HB2 H 1 1.68 0.04 . 2 . . . . . . . . 6391 1 554 . 1 1 48 48 PRO CG C 13 26.97 0.30 . 1 . . . . . . . . 6391 1 555 . 1 1 48 48 PRO HG3 H 1 2.03 0.04 . 2 . . . . . . . . 6391 1 556 . 1 1 48 48 PRO HG2 H 1 1.40 0.04 . 2 . . . . . . . . 6391 1 557 . 1 1 48 48 PRO CD C 13 51.10 0.30 . 1 . . . . . . . . 6391 1 558 . 1 1 48 48 PRO HD3 H 1 3.76 0.04 . 2 . . . . . . . . 6391 1 559 . 1 1 48 48 PRO HD2 H 1 3.36 0.04 . 2 . . . . . . . . 6391 1 560 . 1 1 49 49 LEU N N 15 118.08 0.40 . 1 . . . . . . . . 6391 1 561 . 1 1 49 49 LEU H H 1 7.04 0.04 . 1 . . . . . . . . 6391 1 562 . 1 1 49 49 LEU C C 13 176.13 0.30 . 1 . . . . . . . . 6391 1 563 . 1 1 49 49 LEU CA C 13 54.59 0.30 . 1 . . . . . . . . 6391 1 564 . 1 1 49 49 LEU HA H 1 4.21 0.04 . 1 . . . . . . . . 6391 1 565 . 1 1 49 49 LEU CB C 13 42.96 0.30 . 1 . . . . . . . . 6391 1 566 . 1 1 49 49 LEU HB3 H 1 0.30 0.04 . 1 . . . . . . . . 6391 1 567 . 1 1 49 49 LEU HB2 H 1 1.35 0.04 . 1 . . . . . . . . 6391 1 568 . 1 1 49 49 LEU CG C 13 27.24 0.30 . 1 . . . . . . . . 6391 1 569 . 1 1 49 49 LEU HG H 1 1.02 0.04 . 1 . . . . . . . . 6391 1 570 . 1 1 49 49 LEU CD1 C 13 25.25 0.30 . 1 . . . . . . . . 6391 1 571 . 1 1 49 49 LEU HD11 H 1 0.24 0.04 . 2 . . . . . . . . 6391 1 572 . 1 1 49 49 LEU HD12 H 1 0.24 0.04 . 2 . . . . . . . . 6391 1 573 . 1 1 49 49 LEU HD13 H 1 0.24 0.04 . 2 . . . . . . . . 6391 1 574 . 1 1 49 49 LEU CD2 C 13 22.11 0.30 . 1 . . . . . . . . 6391 1 575 . 1 1 49 49 LEU HD21 H 1 0.48 0.04 . 2 . . . . . . . . 6391 1 576 . 1 1 49 49 LEU HD22 H 1 0.48 0.04 . 2 . . . . . . . . 6391 1 577 . 1 1 49 49 LEU HD23 H 1 0.48 0.04 . 2 . . . . . . . . 6391 1 578 . 1 1 50 50 LYS N N 15 123.74 0.40 . 1 . . . . . . . . 6391 1 579 . 1 1 50 50 LYS H H 1 8.16 0.04 . 1 . . . . . . . . 6391 1 580 . 1 1 50 50 LYS C C 13 173.64 0.30 . 1 . . . . . . . . 6391 1 581 . 1 1 50 50 LYS CA C 13 54.28 0.30 . 1 . . . . . . . . 6391 1 582 . 1 1 50 50 LYS HA H 1 4.32 0.04 . 1 . . . . . . . . 6391 1 583 . 1 1 50 50 LYS CB C 13 35.01 0.30 . 1 . . . . . . . . 6391 1 584 . 1 1 50 50 LYS HB3 H 1 1.67 0.04 . 1 . . . . . . . . 6391 1 585 . 1 1 50 50 LYS HB2 H 1 1.46 0.04 . 1 . . . . . . . . 6391 1 586 . 1 1 50 50 LYS CG C 13 24.70 0.30 . 1 . . . . . . . . 6391 1 587 . 1 1 50 50 LYS HG3 H 1 1.27 0.04 . 2 . . . . . . . . 6391 1 588 . 1 1 50 50 LYS CD C 13 28.57 0.30 . 1 . . . . . . . . 6391 1 589 . 1 1 50 50 LYS HD3 H 1 1.60 0.04 . 2 . . . . . . . . 6391 1 590 . 1 1 50 50 LYS CE C 13 41.99 0.30 . 1 . . . . . . . . 6391 1 591 . 1 1 50 50 LYS HE3 H 1 2.95 0.04 . 2 . . . . . . . . 6391 1 592 . 1 1 51 51 PHE N N 15 120.81 0.40 . 1 . . . . . . . . 6391 1 593 . 1 1 51 51 PHE H H 1 8.25 0.04 . 1 . . . . . . . . 6391 1 594 . 1 1 51 51 PHE C C 13 176.50 0.30 . 1 . . . . . . . . 6391 1 595 . 1 1 51 51 PHE CA C 13 55.46 0.30 . 1 . . . . . . . . 6391 1 596 . 1 1 51 51 PHE HA H 1 5.76 0.04 . 1 . . . . . . . . 6391 1 597 . 1 1 51 51 PHE CB C 13 41.54 0.30 . 1 . . . . . . . . 6391 1 598 . 1 1 51 51 PHE HB3 H 1 2.24 0.04 . 1 . . . . . . . . 6391 1 599 . 1 1 51 51 PHE HB2 H 1 2.58 0.04 . 1 . . . . . . . . 6391 1 600 . 1 1 51 51 PHE CD1 C 13 133.02 0.30 . 3 . . . . . . . . 6391 1 601 . 1 1 51 51 PHE HD1 H 1 6.94 0.04 . 3 . . . . . . . . 6391 1 602 . 1 1 52 52 SER N N 15 117.99 0.40 . 1 . . . . . . . . 6391 1 603 . 1 1 52 52 SER H H 1 8.09 0.04 . 1 . . . . . . . . 6391 1 604 . 1 1 52 52 SER C C 13 171.04 0.30 . 1 . . . . . . . . 6391 1 605 . 1 1 52 52 SER CA C 13 56.69 0.30 . 1 . . . . . . . . 6391 1 606 . 1 1 52 52 SER HA H 1 4.67 0.04 . 1 . . . . . . . . 6391 1 607 . 1 1 52 52 SER CB C 13 65.71 0.30 . 1 . . . . . . . . 6391 1 608 . 1 1 52 52 SER HB3 H 1 3.57 0.04 . 2 . . . . . . . . 6391 1 609 . 1 1 52 52 SER HB2 H 1 3.46 0.04 . 2 . . . . . . . . 6391 1 610 . 1 1 53 53 LYS N N 15 129.02 0.40 . 1 . . . . . . . . 6391 1 611 . 1 1 53 53 LYS H H 1 8.15 0.04 . 1 . . . . . . . . 6391 1 612 . 1 1 53 53 LYS C C 13 176.53 0.30 . 1 . . . . . . . . 6391 1 613 . 1 1 53 53 LYS CA C 13 55.26 0.30 . 1 . . . . . . . . 6391 1 614 . 1 1 53 53 LYS HA H 1 3.48 0.04 . 1 . . . . . . . . 6391 1 615 . 1 1 53 53 LYS CB C 13 33.22 0.30 . 1 . . . . . . . . 6391 1 616 . 1 1 53 53 LYS HB3 H 1 1.50 0.04 . 1 . . . . . . . . 6391 1 617 . 1 1 53 53 LYS HB2 H 1 1.18 0.04 . 1 . . . . . . . . 6391 1 618 . 1 1 53 53 LYS CG C 13 25.07 0.30 . 1 . . . . . . . . 6391 1 619 . 1 1 53 53 LYS HG3 H 1 0.98 0.04 . 2 . . . . . . . . 6391 1 620 . 1 1 53 53 LYS HG2 H 1 0.88 0.04 . 2 . . . . . . . . 6391 1 621 . 1 1 53 53 LYS CD C 13 29.56 0.30 . 1 . . . . . . . . 6391 1 622 . 1 1 53 53 LYS HD3 H 1 1.82 0.04 . 2 . . . . . . . . 6391 1 623 . 1 1 53 53 LYS HD2 H 1 1.60 0.04 . 2 . . . . . . . . 6391 1 624 . 1 1 53 53 LYS CE C 13 41.72 0.30 . 1 . . . . . . . . 6391 1 625 . 1 1 53 53 LYS HE3 H 1 3.11 0.04 . 2 . . . . . . . . 6391 1 626 . 1 1 54 54 ILE N N 15 124.83 0.40 . 1 . . . . . . . . 6391 1 627 . 1 1 54 54 ILE H H 1 8.77 0.04 . 1 . . . . . . . . 6391 1 628 . 1 1 54 54 ILE C C 13 175.40 0.30 . 1 . . . . . . . . 6391 1 629 . 1 1 54 54 ILE CA C 13 58.99 0.30 . 1 . . . . . . . . 6391 1 630 . 1 1 54 54 ILE HA H 1 4.68 0.04 . 1 . . . . . . . . 6391 1 631 . 1 1 54 54 ILE CB C 13 40.80 0.30 . 1 . . . . . . . . 6391 1 632 . 1 1 54 54 ILE HB H 1 1.97 0.04 . 1 . . . . . . . . 6391 1 633 . 1 1 54 54 ILE CG1 C 13 26.13 0.30 . 1 . . . . . . . . 6391 1 634 . 1 1 54 54 ILE HG13 H 1 1.19 0.04 . 2 . . . . . . . . 6391 1 635 . 1 1 54 54 ILE HG12 H 1 0.98 0.04 . 2 . . . . . . . . 6391 1 636 . 1 1 54 54 ILE CG2 C 13 17.24 0.30 . 1 . . . . . . . . 6391 1 637 . 1 1 54 54 ILE HG21 H 1 0.83 0.04 . 1 . . . . . . . . 6391 1 638 . 1 1 54 54 ILE HG22 H 1 0.83 0.04 . 1 . . . . . . . . 6391 1 639 . 1 1 54 54 ILE HG23 H 1 0.83 0.04 . 1 . . . . . . . . 6391 1 640 . 1 1 54 54 ILE CD1 C 13 12.78 0.30 . 1 . . . . . . . . 6391 1 641 . 1 1 54 54 ILE HD11 H 1 0.72 0.04 . 1 . . . . . . . . 6391 1 642 . 1 1 54 54 ILE HD12 H 1 0.72 0.04 . 1 . . . . . . . . 6391 1 643 . 1 1 54 54 ILE HD13 H 1 0.72 0.04 . 1 . . . . . . . . 6391 1 644 . 1 1 55 55 ASN N N 15 120.57 0.40 . 1 . . . . . . . . 6391 1 645 . 1 1 55 55 ASN H H 1 8.81 0.04 . 1 . . . . . . . . 6391 1 646 . 1 1 55 55 ASN C C 13 174.96 0.30 . 1 . . . . . . . . 6391 1 647 . 1 1 55 55 ASN CA C 13 53.55 0.30 . 1 . . . . . . . . 6391 1 648 . 1 1 55 55 ASN HA H 1 4.88 0.04 . 1 . . . . . . . . 6391 1 649 . 1 1 55 55 ASN CB C 13 40.00 0.30 . 1 . . . . . . . . 6391 1 650 . 1 1 55 55 ASN HB3 H 1 2.96 0.04 . 1 . . . . . . . . 6391 1 651 . 1 1 55 55 ASN HB2 H 1 2.77 0.04 . 1 . . . . . . . . 6391 1 652 . 1 1 55 55 ASN ND2 N 15 113.37 0.40 . 1 . . . . . . . . 6391 1 653 . 1 1 55 55 ASN HD21 H 1 7.47 0.04 . 2 . . . . . . . . 6391 1 654 . 1 1 55 55 ASN HD22 H 1 6.87 0.04 . 2 . . . . . . . . 6391 1 655 . 1 1 56 56 THR N N 15 112.88 0.40 . 1 . . . . . . . . 6391 1 656 . 1 1 56 56 THR H H 1 7.49 0.04 . 1 . . . . . . . . 6391 1 657 . 1 1 56 56 THR C C 13 172.60 0.30 . 1 . . . . . . . . 6391 1 658 . 1 1 56 56 THR CA C 13 60.25 0.30 . 1 . . . . . . . . 6391 1 659 . 1 1 56 56 THR HA H 1 4.46 0.04 . 1 . . . . . . . . 6391 1 660 . 1 1 56 56 THR CB C 13 70.74 0.30 . 1 . . . . . . . . 6391 1 661 . 1 1 56 56 THR HB H 1 4.14 0.04 . 1 . . . . . . . . 6391 1 662 . 1 1 56 56 THR CG2 C 13 20.90 0.30 . 1 . . . . . . . . 6391 1 663 . 1 1 56 56 THR HG21 H 1 1.16 0.04 . 1 . . . . . . . . 6391 1 664 . 1 1 56 56 THR HG22 H 1 1.16 0.04 . 1 . . . . . . . . 6391 1 665 . 1 1 56 56 THR HG23 H 1 1.16 0.04 . 1 . . . . . . . . 6391 1 666 . 1 1 57 57 GLY N N 15 111.12 0.40 . 1 . . . . . . . . 6391 1 667 . 1 1 57 57 GLY H H 1 8.29 0.04 . 1 . . . . . . . . 6391 1 668 . 1 1 57 57 GLY C C 13 173.27 0.30 . 1 . . . . . . . . 6391 1 669 . 1 1 57 57 GLY CA C 13 44.15 0.30 . 1 . . . . . . . . 6391 1 670 . 1 1 57 57 GLY HA3 H 1 4.22 0.04 . 2 . . . . . . . . 6391 1 671 . 1 1 57 57 GLY HA2 H 1 3.78 0.04 . 2 . . . . . . . . 6391 1 672 . 1 1 58 58 MET N N 15 120.33 0.40 . 1 . . . . . . . . 6391 1 673 . 1 1 58 58 MET H H 1 8.27 0.04 . 1 . . . . . . . . 6391 1 674 . 1 1 58 58 MET C C 13 174.89 0.30 . 1 . . . . . . . . 6391 1 675 . 1 1 58 58 MET CA C 13 55.11 0.30 . 1 . . . . . . . . 6391 1 676 . 1 1 58 58 MET HA H 1 4.50 0.04 . 1 . . . . . . . . 6391 1 677 . 1 1 58 58 MET CB C 13 31.89 0.30 . 1 . . . . . . . . 6391 1 678 . 1 1 58 58 MET HB3 H 1 2.59 0.04 . 2 . . . . . . . . 6391 1 679 . 1 1 58 58 MET HB2 H 1 2.01 0.04 . 2 . . . . . . . . 6391 1 680 . 1 1 58 58 MET CE C 13 16.38 0.30 . 1 . . . . . . . . 6391 1 681 . 1 1 58 58 MET HE1 H 1 2.14 0.04 . 1 . . . . . . . . 6391 1 682 . 1 1 58 58 MET HE2 H 1 2.14 0.04 . 1 . . . . . . . . 6391 1 683 . 1 1 58 58 MET HE3 H 1 2.14 0.04 . 1 . . . . . . . . 6391 1 684 . 1 1 59 59 ALA N N 15 128.28 0.40 . 1 . . . . . . . . 6391 1 685 . 1 1 59 59 ALA H H 1 7.93 0.04 . 1 . . . . . . . . 6391 1 686 . 1 1 59 59 ALA C C 13 176.35 0.30 . 1 . . . . . . . . 6391 1 687 . 1 1 59 59 ALA CA C 13 49.65 0.30 . 1 . . . . . . . . 6391 1 688 . 1 1 59 59 ALA HA H 1 4.58 0.04 . 1 . . . . . . . . 6391 1 689 . 1 1 59 59 ALA CB C 13 22.26 0.30 . 1 . . . . . . . . 6391 1 690 . 1 1 59 59 ALA HB1 H 1 1.01 0.04 . 1 . . . . . . . . 6391 1 691 . 1 1 59 59 ALA HB2 H 1 1.01 0.04 . 1 . . . . . . . . 6391 1 692 . 1 1 59 59 ALA HB3 H 1 1.01 0.04 . 1 . . . . . . . . 6391 1 693 . 1 1 60 60 ASP N N 15 122.64 0.40 . 1 . . . . . . . . 6391 1 694 . 1 1 60 60 ASP H H 1 8.09 0.04 . 1 . . . . . . . . 6391 1 695 . 1 1 60 60 ASP C C 13 176.87 0.30 . 1 . . . . . . . . 6391 1 696 . 1 1 60 60 ASP CA C 13 57.87 0.30 . 1 . . . . . . . . 6391 1 697 . 1 1 60 60 ASP HA H 1 4.58 0.04 . 1 . . . . . . . . 6391 1 698 . 1 1 60 60 ASP CB C 13 41.38 0.30 . 1 . . . . . . . . 6391 1 699 . 1 1 60 60 ASP HB3 H 1 2.42 0.04 . 1 . . . . . . . . 6391 1 700 . 1 1 60 60 ASP HB2 H 1 3.09 0.04 . 1 . . . . . . . . 6391 1 701 . 1 1 61 61 ILE N N 15 125.42 0.40 . 1 . . . . . . . . 6391 1 702 . 1 1 61 61 ILE H H 1 8.94 0.04 . 1 . . . . . . . . 6391 1 703 . 1 1 61 61 ILE C C 13 173.25 0.30 . 1 . . . . . . . . 6391 1 704 . 1 1 61 61 ILE CA C 13 61.65 0.30 . 1 . . . . . . . . 6391 1 705 . 1 1 61 61 ILE HA H 1 4.28 0.04 . 1 . . . . . . . . 6391 1 706 . 1 1 61 61 ILE CB C 13 39.97 0.30 . 1 . . . . . . . . 6391 1 707 . 1 1 61 61 ILE HB H 1 1.90 0.04 . 1 . . . . . . . . 6391 1 708 . 1 1 61 61 ILE CG1 C 13 26.47 0.30 . 1 . . . . . . . . 6391 1 709 . 1 1 61 61 ILE HG13 H 1 1.53 0.04 . 2 . . . . . . . . 6391 1 710 . 1 1 61 61 ILE HG12 H 1 1.34 0.04 . 2 . . . . . . . . 6391 1 711 . 1 1 61 61 ILE CG2 C 13 14.37 0.30 . 1 . . . . . . . . 6391 1 712 . 1 1 61 61 ILE HG21 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 713 . 1 1 61 61 ILE HG22 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 714 . 1 1 61 61 ILE HG23 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 715 . 1 1 61 61 ILE CD1 C 13 14.27 0.30 . 1 . . . . . . . . 6391 1 716 . 1 1 61 61 ILE HD11 H 1 0.94 0.04 . 1 . . . . . . . . 6391 1 717 . 1 1 61 61 ILE HD12 H 1 0.94 0.04 . 1 . . . . . . . . 6391 1 718 . 1 1 61 61 ILE HD13 H 1 0.94 0.04 . 1 . . . . . . . . 6391 1 719 . 1 1 62 62 LEU N N 15 131.27 0.40 . 1 . . . . . . . . 6391 1 720 . 1 1 62 62 LEU H H 1 7.58 0.04 . 1 . . . . . . . . 6391 1 721 . 1 1 62 62 LEU C C 13 175.59 0.30 . 1 . . . . . . . . 6391 1 722 . 1 1 62 62 LEU CA C 13 53.45 0.30 . 1 . . . . . . . . 6391 1 723 . 1 1 62 62 LEU HA H 1 5.07 0.04 . 1 . . . . . . . . 6391 1 724 . 1 1 62 62 LEU CB C 13 43.40 0.30 . 1 . . . . . . . . 6391 1 725 . 1 1 62 62 LEU HB3 H 1 1.52 0.04 . 1 . . . . . . . . 6391 1 726 . 1 1 62 62 LEU HB2 H 1 1.72 0.04 . 1 . . . . . . . . 6391 1 727 . 1 1 62 62 LEU CG C 13 27.35 0.30 . 1 . . . . . . . . 6391 1 728 . 1 1 62 62 LEU HG H 1 1.65 0.04 . 1 . . . . . . . . 6391 1 729 . 1 1 62 62 LEU CD1 C 13 23.98 0.30 . 1 . . . . . . . . 6391 1 730 . 1 1 62 62 LEU HD11 H 1 1.04 0.04 . 2 . . . . . . . . 6391 1 731 . 1 1 62 62 LEU HD12 H 1 1.04 0.04 . 2 . . . . . . . . 6391 1 732 . 1 1 62 62 LEU HD13 H 1 1.04 0.04 . 2 . . . . . . . . 6391 1 733 . 1 1 62 62 LEU CD2 C 13 25.05 0.30 . 1 . . . . . . . . 6391 1 734 . 1 1 62 62 LEU HD21 H 1 0.93 0.04 . 2 . . . . . . . . 6391 1 735 . 1 1 62 62 LEU HD22 H 1 0.93 0.04 . 2 . . . . . . . . 6391 1 736 . 1 1 62 62 LEU HD23 H 1 0.93 0.04 . 2 . . . . . . . . 6391 1 737 . 1 1 63 63 VAL N N 15 126.70 0.40 . 1 . . . . . . . . 6391 1 738 . 1 1 63 63 VAL H H 1 8.80 0.04 . 1 . . . . . . . . 6391 1 739 . 1 1 63 63 VAL C C 13 175.15 0.30 . 1 . . . . . . . . 6391 1 740 . 1 1 63 63 VAL CA C 13 61.74 0.30 . 1 . . . . . . . . 6391 1 741 . 1 1 63 63 VAL HA H 1 5.27 0.04 . 1 . . . . . . . . 6391 1 742 . 1 1 63 63 VAL CB C 13 32.85 0.30 . 1 . . . . . . . . 6391 1 743 . 1 1 63 63 VAL HB H 1 2.24 0.04 . 1 . . . . . . . . 6391 1 744 . 1 1 63 63 VAL CG1 C 13 20.65 0.30 . 1 . . . . . . . . 6391 1 745 . 1 1 63 63 VAL HG11 H 1 0.77 0.04 . 2 . . . . . . . . 6391 1 746 . 1 1 63 63 VAL HG12 H 1 0.77 0.04 . 2 . . . . . . . . 6391 1 747 . 1 1 63 63 VAL HG13 H 1 0.77 0.04 . 2 . . . . . . . . 6391 1 748 . 1 1 63 63 VAL CG2 C 13 20.19 0.30 . 1 . . . . . . . . 6391 1 749 . 1 1 63 63 VAL HG21 H 1 1.03 0.04 . 2 . . . . . . . . 6391 1 750 . 1 1 63 63 VAL HG22 H 1 1.03 0.04 . 2 . . . . . . . . 6391 1 751 . 1 1 63 63 VAL HG23 H 1 1.03 0.04 . 2 . . . . . . . . 6391 1 752 . 1 1 64 64 VAL N N 15 127.81 0.40 . 1 . . . . . . . . 6391 1 753 . 1 1 64 64 VAL H H 1 8.75 0.04 . 1 . . . . . . . . 6391 1 754 . 1 1 64 64 VAL C C 13 174.75 0.30 . 1 . . . . . . . . 6391 1 755 . 1 1 64 64 VAL CA C 13 60.82 0.30 . 1 . . . . . . . . 6391 1 756 . 1 1 64 64 VAL HA H 1 4.63 0.04 . 1 . . . . . . . . 6391 1 757 . 1 1 64 64 VAL CB C 13 37.26 0.30 . 1 . . . . . . . . 6391 1 758 . 1 1 64 64 VAL HB H 1 1.85 0.04 . 1 . . . . . . . . 6391 1 759 . 1 1 64 64 VAL CG1 C 13 20.87 0.30 . 1 . . . . . . . . 6391 1 760 . 1 1 64 64 VAL HG11 H 1 0.83 0.04 . 2 . . . . . . . . 6391 1 761 . 1 1 64 64 VAL HG12 H 1 0.83 0.04 . 2 . . . . . . . . 6391 1 762 . 1 1 64 64 VAL HG13 H 1 0.83 0.04 . 2 . . . . . . . . 6391 1 763 . 1 1 64 64 VAL CG2 C 13 21.16 0.30 . 1 . . . . . . . . 6391 1 764 . 1 1 64 64 VAL HG21 H 1 0.97 0.04 . 2 . . . . . . . . 6391 1 765 . 1 1 64 64 VAL HG22 H 1 0.97 0.04 . 2 . . . . . . . . 6391 1 766 . 1 1 64 64 VAL HG23 H 1 0.97 0.04 . 2 . . . . . . . . 6391 1 767 . 1 1 65 65 PHE N N 15 127.24 0.40 . 1 . . . . . . . . 6391 1 768 . 1 1 65 65 PHE H H 1 8.63 0.04 . 1 . . . . . . . . 6391 1 769 . 1 1 65 65 PHE C C 13 176.09 0.30 . 1 . . . . . . . . 6391 1 770 . 1 1 65 65 PHE CA C 13 57.00 0.30 . 1 . . . . . . . . 6391 1 771 . 1 1 65 65 PHE HA H 1 5.45 0.04 . 1 . . . . . . . . 6391 1 772 . 1 1 65 65 PHE CB C 13 40.69 0.30 . 1 . . . . . . . . 6391 1 773 . 1 1 65 65 PHE HB3 H 1 3.12 0.04 . 1 . . . . . . . . 6391 1 774 . 1 1 65 65 PHE HB2 H 1 2.83 0.04 . 1 . . . . . . . . 6391 1 775 . 1 1 65 65 PHE CD1 C 13 133.35 0.30 . 3 . . . . . . . . 6391 1 776 . 1 1 65 65 PHE HD1 H 1 7.00 0.04 . 3 . . . . . . . . 6391 1 777 . 1 1 65 65 PHE CE1 C 13 129.28 0.30 . 3 . . . . . . . . 6391 1 778 . 1 1 65 65 PHE HE1 H 1 6.12 0.04 . 3 . . . . . . . . 6391 1 779 . 1 1 65 65 PHE CZ C 13 128.30 0.30 . 1 . . . . . . . . 6391 1 780 . 1 1 65 65 PHE HZ H 1 6.30 0.04 . 1 . . . . . . . . 6391 1 781 . 1 1 66 66 ALA N N 15 127.31 0.40 . 1 . . . . . . . . 6391 1 782 . 1 1 66 66 ALA H H 1 9.17 0.04 . 1 . . . . . . . . 6391 1 783 . 1 1 66 66 ALA C C 13 174.79 0.30 . 1 . . . . . . . . 6391 1 784 . 1 1 66 66 ALA CA C 13 51.10 0.30 . 1 . . . . . . . . 6391 1 785 . 1 1 66 66 ALA HA H 1 4.89 0.04 . 1 . . . . . . . . 6391 1 786 . 1 1 66 66 ALA CB C 13 22.78 0.30 . 1 . . . . . . . . 6391 1 787 . 1 1 66 66 ALA HB1 H 1 1.01 0.04 . 1 . . . . . . . . 6391 1 788 . 1 1 66 66 ALA HB2 H 1 1.01 0.04 . 1 . . . . . . . . 6391 1 789 . 1 1 66 66 ALA HB3 H 1 1.01 0.04 . 1 . . . . . . . . 6391 1 790 . 1 1 67 67 ARG N N 15 119.44 0.40 . 1 . . . . . . . . 6391 1 791 . 1 1 67 67 ARG H H 1 8.81 0.04 . 1 . . . . . . . . 6391 1 792 . 1 1 67 67 ARG C C 13 175.82 0.30 . 1 . . . . . . . . 6391 1 793 . 1 1 67 67 ARG CA C 13 53.87 0.30 . 1 . . . . . . . . 6391 1 794 . 1 1 67 67 ARG HA H 1 5.31 0.04 . 1 . . . . . . . . 6391 1 795 . 1 1 67 67 ARG CB C 13 33.87 0.30 . 1 . . . . . . . . 6391 1 796 . 1 1 67 67 ARG HB3 H 1 1.95 0.04 . 2 . . . . . . . . 6391 1 797 . 1 1 67 67 ARG HB2 H 1 1.73 0.04 . 2 . . . . . . . . 6391 1 798 . 1 1 67 67 ARG CG C 13 26.68 0.30 . 1 . . . . . . . . 6391 1 799 . 1 1 67 67 ARG HG3 H 1 1.64 0.04 . 2 . . . . . . . . 6391 1 800 . 1 1 67 67 ARG CD C 13 43.05 0.30 . 1 . . . . . . . . 6391 1 801 . 1 1 67 67 ARG HD3 H 1 3.30 0.04 . 2 . . . . . . . . 6391 1 802 . 1 1 67 67 ARG NE N 15 85.72 0.40 . 1 . . . . . . . . 6391 1 803 . 1 1 67 67 ARG HE H 1 8.02 0.04 . 1 . . . . . . . . 6391 1 804 . 1 1 68 68 GLY N N 15 109.43 0.40 . 1 . . . . . . . . 6391 1 805 . 1 1 68 68 GLY H H 1 9.54 0.04 . 1 . . . . . . . . 6391 1 806 . 1 1 68 68 GLY C C 13 175.77 0.30 . 1 . . . . . . . . 6391 1 807 . 1 1 68 68 GLY CA C 13 46.50 0.30 . 1 . . . . . . . . 6391 1 808 . 1 1 68 68 GLY HA3 H 1 3.98 0.04 . 2 . . . . . . . . 6391 1 809 . 1 1 68 68 GLY HA2 H 1 3.84 0.04 . 2 . . . . . . . . 6391 1 810 . 1 1 69 69 ALA N N 15 135.32 0.40 . 1 . . . . . . . . 6391 1 811 . 1 1 69 69 ALA H H 1 9.21 0.04 . 1 . . . . . . . . 6391 1 812 . 1 1 69 69 ALA C C 13 176.63 0.30 . 1 . . . . . . . . 6391 1 813 . 1 1 69 69 ALA CA C 13 53.18 0.30 . 1 . . . . . . . . 6391 1 814 . 1 1 69 69 ALA HA H 1 4.37 0.04 . 1 . . . . . . . . 6391 1 815 . 1 1 69 69 ALA CB C 13 17.94 0.30 . 1 . . . . . . . . 6391 1 816 . 1 1 69 69 ALA HB1 H 1 1.55 0.04 . 1 . . . . . . . . 6391 1 817 . 1 1 69 69 ALA HB2 H 1 1.55 0.04 . 1 . . . . . . . . 6391 1 818 . 1 1 69 69 ALA HB3 H 1 1.55 0.04 . 1 . . . . . . . . 6391 1 819 . 1 1 70 70 HIS CA C 13 54.86 0.30 . 1 . . . . . . . . 6391 1 820 . 1 1 70 70 HIS HA H 1 5.08 0.04 . 1 . . . . . . . . 6391 1 821 . 1 1 70 70 HIS CB C 13 28.02 0.30 . 1 . . . . . . . . 6391 1 822 . 1 1 70 70 HIS HB3 H 1 3.40 0.04 . 2 . . . . . . . . 6391 1 823 . 1 1 70 70 HIS HB2 H 1 2.70 0.04 . 2 . . . . . . . . 6391 1 824 . 1 1 70 70 HIS CD2 C 13 126.38 0.30 . 1 . . . . . . . . 6391 1 825 . 1 1 70 70 HIS HD2 H 1 6.35 0.04 . 1 . . . . . . . . 6391 1 826 . 1 1 70 70 HIS CE1 C 13 139.99 0.30 . 1 . . . . . . . . 6391 1 827 . 1 1 70 70 HIS HE1 H 1 6.92 0.04 . 1 . . . . . . . . 6391 1 828 . 1 1 71 71 GLY CA C 13 44.31 0.30 . 1 . . . . . . . . 6391 1 829 . 1 1 71 71 GLY HA3 H 1 4.39 0.04 . 2 . . . . . . . . 6391 1 830 . 1 1 71 71 GLY HA2 H 1 3.62 0.04 . 2 . . . . . . . . 6391 1 831 . 1 1 72 72 ASP CA C 13 51.69 0.30 . 1 . . . . . . . . 6391 1 832 . 1 1 72 72 ASP HA H 1 4.59 0.04 . 1 . . . . . . . . 6391 1 833 . 1 1 72 72 ASP CB C 13 40.83 0.30 . 1 . . . . . . . . 6391 1 834 . 1 1 72 72 ASP HB3 H 1 3.23 0.04 . 2 . . . . . . . . 6391 1 835 . 1 1 72 72 ASP HB2 H 1 2.65 0.04 . 2 . . . . . . . . 6391 1 836 . 1 1 73 73 PHE C C 13 174.40 0.30 . 1 . . . . . . . . 6391 1 837 . 1 1 74 74 HIS N N 15 121.43 0.40 . 1 . . . . . . . . 6391 1 838 . 1 1 74 74 HIS H H 1 7.57 0.04 . 1 . . . . . . . . 6391 1 839 . 1 1 74 74 HIS C C 13 172.33 0.30 . 1 . . . . . . . . 6391 1 840 . 1 1 74 74 HIS CA C 13 53.66 0.30 . 1 . . . . . . . . 6391 1 841 . 1 1 74 74 HIS HA H 1 3.95 0.04 . 1 . . . . . . . . 6391 1 842 . 1 1 74 74 HIS CB C 13 29.69 0.30 . 1 . . . . . . . . 6391 1 843 . 1 1 74 74 HIS HB3 H 1 2.25 0.04 . 2 . . . . . . . . 6391 1 844 . 1 1 75 75 ALA N N 15 124.72 0.40 . 1 . . . . . . . . 6391 1 845 . 1 1 75 75 ALA H H 1 8.05 0.04 . 1 . . . . . . . . 6391 1 846 . 1 1 75 75 ALA C C 13 180.32 0.30 . 1 . . . . . . . . 6391 1 847 . 1 1 75 75 ALA CA C 13 53.49 0.30 . 1 . . . . . . . . 6391 1 848 . 1 1 75 75 ALA HA H 1 4.23 0.04 . 1 . . . . . . . . 6391 1 849 . 1 1 75 75 ALA CB C 13 18.28 0.30 . 1 . . . . . . . . 6391 1 850 . 1 1 75 75 ALA HB1 H 1 1.35 0.04 . 1 . . . . . . . . 6391 1 851 . 1 1 75 75 ALA HB2 H 1 1.35 0.04 . 1 . . . . . . . . 6391 1 852 . 1 1 75 75 ALA HB3 H 1 1.35 0.04 . 1 . . . . . . . . 6391 1 853 . 1 1 76 76 PHE N N 15 120.82 0.40 . 1 . . . . . . . . 6391 1 854 . 1 1 76 76 PHE H H 1 7.95 0.04 . 1 . . . . . . . . 6391 1 855 . 1 1 76 76 PHE C C 13 176.23 0.30 . 1 . . . . . . . . 6391 1 856 . 1 1 76 76 PHE CA C 13 57.07 0.30 . 1 . . . . . . . . 6391 1 857 . 1 1 76 76 PHE HA H 1 5.00 0.04 . 1 . . . . . . . . 6391 1 858 . 1 1 76 76 PHE CB C 13 38.33 0.30 . 1 . . . . . . . . 6391 1 859 . 1 1 76 76 PHE HB3 H 1 3.98 0.04 . 1 . . . . . . . . 6391 1 860 . 1 1 76 76 PHE HB2 H 1 3.14 0.04 . 1 . . . . . . . . 6391 1 861 . 1 1 77 77 ASP N N 15 117.64 0.40 . 1 . . . . . . . . 6391 1 862 . 1 1 77 77 ASP H H 1 8.33 0.04 . 1 . . . . . . . . 6391 1 863 . 1 1 77 77 ASP C C 13 177.25 0.30 . 1 . . . . . . . . 6391 1 864 . 1 1 77 77 ASP CA C 13 53.77 0.30 . 1 . . . . . . . . 6391 1 865 . 1 1 77 77 ASP HA H 1 4.71 0.04 . 1 . . . . . . . . 6391 1 866 . 1 1 77 77 ASP CB C 13 41.61 0.30 . 1 . . . . . . . . 6391 1 867 . 1 1 77 77 ASP HB3 H 1 3.22 0.04 . 2 . . . . . . . . 6391 1 868 . 1 1 77 77 ASP HB2 H 1 2.64 0.04 . 2 . . . . . . . . 6391 1 869 . 1 1 78 78 GLY N N 15 111.27 0.40 . 1 . . . . . . . . 6391 1 870 . 1 1 78 78 GLY H H 1 8.90 0.04 . 1 . . . . . . . . 6391 1 871 . 1 1 78 78 GLY C C 13 173.26 0.30 . 1 . . . . . . . . 6391 1 872 . 1 1 78 78 GLY CA C 13 43.75 0.30 . 1 . . . . . . . . 6391 1 873 . 1 1 78 78 GLY HA3 H 1 4.49 0.04 . 2 . . . . . . . . 6391 1 874 . 1 1 78 78 GLY HA2 H 1 4.32 0.04 . 2 . . . . . . . . 6391 1 875 . 1 1 79 79 LYS N N 15 125.67 0.40 . 1 . . . . . . . . 6391 1 876 . 1 1 79 79 LYS H H 1 8.78 0.04 . 1 . . . . . . . . 6391 1 877 . 1 1 79 79 LYS C C 13 177.62 0.30 . 1 . . . . . . . . 6391 1 878 . 1 1 79 79 LYS CA C 13 58.48 0.30 . 1 . . . . . . . . 6391 1 879 . 1 1 79 79 LYS HA H 1 3.63 0.04 . 1 . . . . . . . . 6391 1 880 . 1 1 79 79 LYS CB C 13 32.04 0.30 . 1 . . . . . . . . 6391 1 881 . 1 1 79 79 LYS HB3 H 1 1.69 0.04 . 2 . . . . . . . . 6391 1 882 . 1 1 79 79 LYS HB2 H 1 1.64 0.04 . 2 . . . . . . . . 6391 1 883 . 1 1 79 79 LYS CG C 13 24.82 0.30 . 1 . . . . . . . . 6391 1 884 . 1 1 79 79 LYS HG3 H 1 1.36 0.04 . 2 . . . . . . . . 6391 1 885 . 1 1 79 79 LYS CD C 13 29.06 0.30 . 1 . . . . . . . . 6391 1 886 . 1 1 79 79 LYS HD3 H 1 1.68 0.04 . 2 . . . . . . . . 6391 1 887 . 1 1 79 79 LYS CE C 13 41.79 0.30 . 1 . . . . . . . . 6391 1 888 . 1 1 79 79 LYS HE3 H 1 2.95 0.04 . 2 . . . . . . . . 6391 1 889 . 1 1 80 80 GLY N N 15 122.21 0.40 . 1 . . . . . . . . 6391 1 890 . 1 1 80 80 GLY H H 1 10.71 0.04 . 1 . . . . . . . . 6391 1 891 . 1 1 80 80 GLY C C 13 174.24 0.30 . 1 . . . . . . . . 6391 1 892 . 1 1 80 80 GLY CA C 13 42.92 0.30 . 1 . . . . . . . . 6391 1 893 . 1 1 80 80 GLY HA3 H 1 4.24 0.04 . 2 . . . . . . . . 6391 1 894 . 1 1 80 80 GLY HA2 H 1 3.52 0.04 . 2 . . . . . . . . 6391 1 895 . 1 1 81 81 GLY N N 15 111.53 0.40 . 1 . . . . . . . . 6391 1 896 . 1 1 81 81 GLY H H 1 8.47 0.04 . 1 . . . . . . . . 6391 1 897 . 1 1 81 81 GLY C C 13 174.99 0.30 . 1 . . . . . . . . 6391 1 898 . 1 1 81 81 GLY CA C 13 46.54 0.30 . 1 . . . . . . . . 6391 1 899 . 1 1 81 81 GLY HA3 H 1 4.11 0.04 . 2 . . . . . . . . 6391 1 900 . 1 1 81 81 GLY HA2 H 1 3.46 0.04 . 2 . . . . . . . . 6391 1 901 . 1 1 82 82 ILE N N 15 132.23 0.40 . 1 . . . . . . . . 6391 1 902 . 1 1 82 82 ILE H H 1 10.83 0.04 . 1 . . . . . . . . 6391 1 903 . 1 1 82 82 ILE C C 13 176.39 0.30 . 1 . . . . . . . . 6391 1 904 . 1 1 82 82 ILE CA C 13 62.58 0.30 . 1 . . . . . . . . 6391 1 905 . 1 1 82 82 ILE HA H 1 3.95 0.04 . 1 . . . . . . . . 6391 1 906 . 1 1 82 82 ILE CB C 13 38.03 0.30 . 1 . . . . . . . . 6391 1 907 . 1 1 82 82 ILE HB H 1 2.23 0.04 . 1 . . . . . . . . 6391 1 908 . 1 1 82 82 ILE CG1 C 13 28.35 0.30 . 1 . . . . . . . . 6391 1 909 . 1 1 82 82 ILE HG13 H 1 1.82 0.04 . 2 . . . . . . . . 6391 1 910 . 1 1 82 82 ILE HG12 H 1 1.56 0.04 . 2 . . . . . . . . 6391 1 911 . 1 1 82 82 ILE CG2 C 13 18.74 0.30 . 1 . . . . . . . . 6391 1 912 . 1 1 82 82 ILE HG21 H 1 1.43 0.04 . 1 . . . . . . . . 6391 1 913 . 1 1 82 82 ILE HG22 H 1 1.43 0.04 . 1 . . . . . . . . 6391 1 914 . 1 1 82 82 ILE HG23 H 1 1.43 0.04 . 1 . . . . . . . . 6391 1 915 . 1 1 82 82 ILE CD1 C 13 12.32 0.30 . 1 . . . . . . . . 6391 1 916 . 1 1 82 82 ILE HD11 H 1 1.10 0.04 . 1 . . . . . . . . 6391 1 917 . 1 1 82 82 ILE HD12 H 1 1.10 0.04 . 1 . . . . . . . . 6391 1 918 . 1 1 82 82 ILE HD13 H 1 1.10 0.04 . 1 . . . . . . . . 6391 1 919 . 1 1 83 83 LEU N N 15 129.43 0.40 . 1 . . . . . . . . 6391 1 920 . 1 1 83 83 LEU H H 1 8.53 0.04 . 1 . . . . . . . . 6391 1 921 . 1 1 83 83 LEU C C 13 175.87 0.30 . 1 . . . . . . . . 6391 1 922 . 1 1 83 83 LEU CA C 13 55.58 0.30 . 1 . . . . . . . . 6391 1 923 . 1 1 83 83 LEU HA H 1 4.60 0.04 . 1 . . . . . . . . 6391 1 924 . 1 1 83 83 LEU CB C 13 42.01 0.30 . 1 . . . . . . . . 6391 1 925 . 1 1 83 83 LEU HB3 H 1 1.75 0.04 . 1 . . . . . . . . 6391 1 926 . 1 1 83 83 LEU HB2 H 1 2.01 0.04 . 1 . . . . . . . . 6391 1 927 . 1 1 83 83 LEU CG C 13 26.39 0.30 . 1 . . . . . . . . 6391 1 928 . 1 1 83 83 LEU HG H 1 1.75 0.04 . 1 . . . . . . . . 6391 1 929 . 1 1 83 83 LEU CD1 C 13 24.66 0.30 . 1 . . . . . . . . 6391 1 930 . 1 1 83 83 LEU HD11 H 1 0.31 0.04 . 2 . . . . . . . . 6391 1 931 . 1 1 83 83 LEU HD12 H 1 0.31 0.04 . 2 . . . . . . . . 6391 1 932 . 1 1 83 83 LEU HD13 H 1 0.31 0.04 . 2 . . . . . . . . 6391 1 933 . 1 1 83 83 LEU CD2 C 13 20.87 0.30 . 1 . . . . . . . . 6391 1 934 . 1 1 83 83 LEU HD21 H 1 0.39 0.04 . 2 . . . . . . . . 6391 1 935 . 1 1 83 83 LEU HD22 H 1 0.39 0.04 . 2 . . . . . . . . 6391 1 936 . 1 1 83 83 LEU HD23 H 1 0.39 0.04 . 2 . . . . . . . . 6391 1 937 . 1 1 84 84 ALA N N 15 116.20 0.40 . 1 . . . . . . . . 6391 1 938 . 1 1 84 84 ALA H H 1 7.75 0.04 . 1 . . . . . . . . 6391 1 939 . 1 1 84 84 ALA C C 13 174.63 0.30 . 1 . . . . . . . . 6391 1 940 . 1 1 84 84 ALA CA C 13 51.60 0.30 . 1 . . . . . . . . 6391 1 941 . 1 1 84 84 ALA HA H 1 4.69 0.04 . 1 . . . . . . . . 6391 1 942 . 1 1 84 84 ALA CB C 13 22.38 0.30 . 1 . . . . . . . . 6391 1 943 . 1 1 84 84 ALA HB1 H 1 1.27 0.04 . 1 . . . . . . . . 6391 1 944 . 1 1 84 84 ALA HB2 H 1 1.27 0.04 . 1 . . . . . . . . 6391 1 945 . 1 1 84 84 ALA HB3 H 1 1.27 0.04 . 1 . . . . . . . . 6391 1 946 . 1 1 85 85 HIS N N 15 114.21 0.40 . 1 . . . . . . . . 6391 1 947 . 1 1 85 85 HIS H H 1 9.24 0.04 . 1 . . . . . . . . 6391 1 948 . 1 1 85 85 HIS C C 13 171.64 0.30 . 1 . . . . . . . . 6391 1 949 . 1 1 85 85 HIS CA C 13 54.21 0.30 . 1 . . . . . . . . 6391 1 950 . 1 1 85 85 HIS HA H 1 4.71 0.04 . 1 . . . . . . . . 6391 1 951 . 1 1 85 85 HIS CB C 13 30.81 0.30 . 1 . . . . . . . . 6391 1 952 . 1 1 85 85 HIS HB3 H 1 3.26 0.04 . 2 . . . . . . . . 6391 1 953 . 1 1 85 85 HIS HB2 H 1 2.91 0.04 . 2 . . . . . . . . 6391 1 954 . 1 1 85 85 HIS CD2 C 13 124.26 0.30 . 1 . . . . . . . . 6391 1 955 . 1 1 85 85 HIS HD2 H 1 6.55 0.04 . 1 . . . . . . . . 6391 1 956 . 1 1 86 86 ALA N N 15 123.74 0.40 . 1 . . . . . . . . 6391 1 957 . 1 1 86 86 ALA H H 1 8.64 0.04 . 1 . . . . . . . . 6391 1 958 . 1 1 86 86 ALA C C 13 175.72 0.30 . 1 . . . . . . . . 6391 1 959 . 1 1 86 86 ALA CA C 13 50.60 0.30 . 1 . . . . . . . . 6391 1 960 . 1 1 86 86 ALA HA H 1 5.09 0.04 . 1 . . . . . . . . 6391 1 961 . 1 1 86 86 ALA CB C 13 23.85 0.30 . 1 . . . . . . . . 6391 1 962 . 1 1 86 86 ALA HB1 H 1 1.28 0.04 . 1 . . . . . . . . 6391 1 963 . 1 1 86 86 ALA HB2 H 1 1.28 0.04 . 1 . . . . . . . . 6391 1 964 . 1 1 86 86 ALA HB3 H 1 1.28 0.04 . 1 . . . . . . . . 6391 1 965 . 1 1 87 87 PHE N N 15 121.50 0.40 . 1 . . . . . . . . 6391 1 966 . 1 1 87 87 PHE H H 1 8.07 0.04 . 1 . . . . . . . . 6391 1 967 . 1 1 87 87 PHE C C 13 175.67 0.30 . 1 . . . . . . . . 6391 1 968 . 1 1 87 87 PHE CA C 13 56.50 0.30 . 1 . . . . . . . . 6391 1 969 . 1 1 87 87 PHE HA H 1 4.29 0.04 . 1 . . . . . . . . 6391 1 970 . 1 1 87 87 PHE CB C 13 41.32 0.30 . 1 . . . . . . . . 6391 1 971 . 1 1 87 87 PHE HB3 H 1 3.04 0.04 . 2 . . . . . . . . 6391 1 972 . 1 1 87 87 PHE CD1 C 13 130.75 0.30 . 3 . . . . . . . . 6391 1 973 . 1 1 87 87 PHE HD1 H 1 7.18 0.04 . 3 . . . . . . . . 6391 1 974 . 1 1 87 87 PHE CE1 C 13 121.49 0.30 . 3 . . . . . . . . 6391 1 975 . 1 1 87 87 PHE HE1 H 1 7.87 0.04 . 3 . . . . . . . . 6391 1 976 . 1 1 87 87 PHE CZ C 13 124.63 0.30 . 1 . . . . . . . . 6391 1 977 . 1 1 87 87 PHE HZ H 1 7.50 0.04 . 1 . . . . . . . . 6391 1 978 . 1 1 88 88 GLY N N 15 106.47 0.40 . 1 . . . . . . . . 6391 1 979 . 1 1 88 88 GLY H H 1 8.25 0.04 . 1 . . . . . . . . 6391 1 980 . 1 1 88 88 GLY C C 13 171.74 0.30 . 1 . . . . . . . . 6391 1 981 . 1 1 88 88 GLY CA C 13 44.54 0.30 . 1 . . . . . . . . 6391 1 982 . 1 1 88 88 GLY HA3 H 1 4.13 0.04 . 2 . . . . . . . . 6391 1 983 . 1 1 88 88 GLY HA2 H 1 3.97 0.04 . 2 . . . . . . . . 6391 1 984 . 1 1 89 89 PRO C C 13 174.83 0.30 . 1 . . . . . . . . 6391 1 985 . 1 1 89 89 PRO CA C 13 64.07 0.30 . 1 . . . . . . . . 6391 1 986 . 1 1 89 89 PRO HA H 1 2.98 0.04 . 1 . . . . . . . . 6391 1 987 . 1 1 89 89 PRO CB C 13 31.68 0.30 . 1 . . . . . . . . 6391 1 988 . 1 1 89 89 PRO HB3 H 1 1.92 0.04 . 2 . . . . . . . . 6391 1 989 . 1 1 89 89 PRO HB2 H 1 1.82 0.04 . 2 . . . . . . . . 6391 1 990 . 1 1 89 89 PRO CG C 13 27.10 0.30 . 1 . . . . . . . . 6391 1 991 . 1 1 90 90 GLY N N 15 107.86 0.40 . 1 . . . . . . . . 6391 1 992 . 1 1 90 90 GLY H H 1 5.66 0.04 . 1 . . . . . . . . 6391 1 993 . 1 1 90 90 GLY C C 13 171.75 0.30 . 1 . . . . . . . . 6391 1 994 . 1 1 90 90 GLY CA C 13 44.12 0.30 . 1 . . . . . . . . 6391 1 995 . 1 1 90 90 GLY HA3 H 1 4.17 0.04 . 2 . . . . . . . . 6391 1 996 . 1 1 90 90 GLY HA2 H 1 3.65 0.04 . 2 . . . . . . . . 6391 1 997 . 1 1 91 91 SER N N 15 115.82 0.40 . 1 . . . . . . . . 6391 1 998 . 1 1 91 91 SER H H 1 8.40 0.04 . 1 . . . . . . . . 6391 1 999 . 1 1 91 91 SER C C 13 175.96 0.30 . 1 . . . . . . . . 6391 1 1000 . 1 1 91 91 SER CA C 13 58.69 0.30 . 1 . . . . . . . . 6391 1 1001 . 1 1 91 91 SER HA H 1 4.50 0.04 . 1 . . . . . . . . 6391 1 1002 . 1 1 91 91 SER CB C 13 64.47 0.30 . 1 . . . . . . . . 6391 1 1003 . 1 1 91 91 SER HB3 H 1 4.01 0.04 . 2 . . . . . . . . 6391 1 1004 . 1 1 92 92 GLY N N 15 113.40 0.40 . 1 . . . . . . . . 6391 1 1005 . 1 1 92 92 GLY H H 1 8.96 0.04 . 1 . . . . . . . . 6391 1 1006 . 1 1 92 92 GLY C C 13 175.05 0.30 . 1 . . . . . . . . 6391 1 1007 . 1 1 92 92 GLY CA C 13 47.05 0.30 . 1 . . . . . . . . 6391 1 1008 . 1 1 92 92 GLY HA3 H 1 4.03 0.04 . 2 . . . . . . . . 6391 1 1009 . 1 1 92 92 GLY HA2 H 1 3.78 0.04 . 2 . . . . . . . . 6391 1 1010 . 1 1 93 93 ILE N N 15 135.28 0.40 . 1 . . . . . . . . 6391 1 1011 . 1 1 93 93 ILE H H 1 9.03 0.04 . 1 . . . . . . . . 6391 1 1012 . 1 1 93 93 ILE C C 13 174.24 0.30 . 1 . . . . . . . . 6391 1 1013 . 1 1 93 93 ILE CA C 13 61.81 0.30 . 1 . . . . . . . . 6391 1 1014 . 1 1 93 93 ILE HA H 1 4.28 0.04 . 1 . . . . . . . . 6391 1 1015 . 1 1 93 93 ILE CB C 13 37.93 0.30 . 1 . . . . . . . . 6391 1 1016 . 1 1 93 93 ILE HB H 1 1.52 0.04 . 1 . . . . . . . . 6391 1 1017 . 1 1 93 93 ILE CG1 C 13 27.94 0.30 . 1 . . . . . . . . 6391 1 1018 . 1 1 93 93 ILE HG13 H 1 0.99 0.04 . 2 . . . . . . . . 6391 1 1019 . 1 1 93 93 ILE HG12 H 1 0.51 0.04 . 2 . . . . . . . . 6391 1 1020 . 1 1 93 93 ILE CG2 C 13 16.37 0.30 . 1 . . . . . . . . 6391 1 1021 . 1 1 93 93 ILE HG21 H 1 0.52 0.04 . 1 . . . . . . . . 6391 1 1022 . 1 1 93 93 ILE HG22 H 1 0.52 0.04 . 1 . . . . . . . . 6391 1 1023 . 1 1 93 93 ILE HG23 H 1 0.52 0.04 . 1 . . . . . . . . 6391 1 1024 . 1 1 93 93 ILE CD1 C 13 14.40 0.30 . 1 . . . . . . . . 6391 1 1025 . 1 1 93 93 ILE HD11 H 1 0.49 0.04 . 1 . . . . . . . . 6391 1 1026 . 1 1 93 93 ILE HD12 H 1 0.49 0.04 . 1 . . . . . . . . 6391 1 1027 . 1 1 93 93 ILE HD13 H 1 0.49 0.04 . 1 . . . . . . . . 6391 1 1028 . 1 1 94 94 GLY N N 15 107.20 0.40 . 1 . . . . . . . . 6391 1 1029 . 1 1 94 94 GLY H H 1 7.67 0.04 . 1 . . . . . . . . 6391 1 1030 . 1 1 94 94 GLY C C 13 174.38 0.30 . 1 . . . . . . . . 6391 1 1031 . 1 1 94 94 GLY CA C 13 46.76 0.30 . 1 . . . . . . . . 6391 1 1032 . 1 1 94 94 GLY HA3 H 1 3.82 0.04 . 2 . . . . . . . . 6391 1 1033 . 1 1 94 94 GLY HA2 H 1 3.13 0.04 . 2 . . . . . . . . 6391 1 1034 . 1 1 95 95 GLY N N 15 120.79 0.40 . 1 . . . . . . . . 6391 1 1035 . 1 1 95 95 GLY H H 1 7.91 0.04 . 1 . . . . . . . . 6391 1 1036 . 1 1 95 95 GLY C C 13 172.03 0.30 . 1 . . . . . . . . 6391 1 1037 . 1 1 95 95 GLY CA C 13 46.69 0.30 . 1 . . . . . . . . 6391 1 1038 . 1 1 95 95 GLY HA3 H 1 4.65 0.04 . 2 . . . . . . . . 6391 1 1039 . 1 1 95 95 GLY HA2 H 1 4.25 0.04 . 2 . . . . . . . . 6391 1 1040 . 1 1 96 96 ASP N N 15 123.72 0.40 . 1 . . . . . . . . 6391 1 1041 . 1 1 96 96 ASP H H 1 8.30 0.04 . 1 . . . . . . . . 6391 1 1042 . 1 1 96 96 ASP C C 13 173.42 0.30 . 1 . . . . . . . . 6391 1 1043 . 1 1 96 96 ASP CA C 13 56.53 0.30 . 1 . . . . . . . . 6391 1 1044 . 1 1 96 96 ASP HA H 1 4.70 0.04 . 1 . . . . . . . . 6391 1 1045 . 1 1 96 96 ASP CB C 13 39.58 0.30 . 1 . . . . . . . . 6391 1 1046 . 1 1 96 96 ASP HB3 H 1 3.03 0.04 . 2 . . . . . . . . 6391 1 1047 . 1 1 96 96 ASP HB2 H 1 2.98 0.04 . 2 . . . . . . . . 6391 1 1048 . 1 1 97 97 ALA N N 15 121.09 0.40 . 1 . . . . . . . . 6391 1 1049 . 1 1 97 97 ALA H H 1 8.61 0.04 . 1 . . . . . . . . 6391 1 1050 . 1 1 97 97 ALA C C 13 174.63 0.30 . 1 . . . . . . . . 6391 1 1051 . 1 1 97 97 ALA CA C 13 50.79 0.30 . 1 . . . . . . . . 6391 1 1052 . 1 1 97 97 ALA HA H 1 4.85 0.04 . 1 . . . . . . . . 6391 1 1053 . 1 1 97 97 ALA CB C 13 20.59 0.30 . 1 . . . . . . . . 6391 1 1054 . 1 1 97 97 ALA HB1 H 1 1.05 0.04 . 1 . . . . . . . . 6391 1 1055 . 1 1 97 97 ALA HB2 H 1 1.05 0.04 . 1 . . . . . . . . 6391 1 1056 . 1 1 97 97 ALA HB3 H 1 1.05 0.04 . 1 . . . . . . . . 6391 1 1057 . 1 1 98 98 HIS N N 15 122.52 0.40 . 1 . . . . . . . . 6391 1 1058 . 1 1 98 98 HIS H H 1 9.30 0.04 . 1 . . . . . . . . 6391 1 1059 . 1 1 98 98 HIS C C 13 172.88 0.30 . 1 . . . . . . . . 6391 1 1060 . 1 1 98 98 HIS CA C 13 50.46 0.30 . 1 . . . . . . . . 6391 1 1061 . 1 1 98 98 HIS HA H 1 5.94 0.04 . 1 . . . . . . . . 6391 1 1062 . 1 1 98 98 HIS CB C 13 33.96 0.30 . 1 . . . . . . . . 6391 1 1063 . 1 1 98 98 HIS HB3 H 1 2.57 0.04 . 1 . . . . . . . . 6391 1 1064 . 1 1 98 98 HIS HB2 H 1 3.29 0.04 . 1 . . . . . . . . 6391 1 1065 . 1 1 98 98 HIS CD2 C 13 116.04 0.30 . 1 . . . . . . . . 6391 1 1066 . 1 1 98 98 HIS HD2 H 1 7.00 0.04 . 1 . . . . . . . . 6391 1 1067 . 1 1 98 98 HIS CE1 C 13 141.63 0.30 . 1 . . . . . . . . 6391 1 1068 . 1 1 98 98 HIS HE1 H 1 8.43 0.04 . 1 . . . . . . . . 6391 1 1069 . 1 1 99 99 PHE N N 15 124.12 0.40 . 1 . . . . . . . . 6391 1 1070 . 1 1 99 99 PHE H H 1 9.20 0.04 . 1 . . . . . . . . 6391 1 1071 . 1 1 99 99 PHE C C 13 174.00 0.30 . 1 . . . . . . . . 6391 1 1072 . 1 1 99 99 PHE CA C 13 56.72 0.30 . 1 . . . . . . . . 6391 1 1073 . 1 1 99 99 PHE HA H 1 4.30 0.04 . 1 . . . . . . . . 6391 1 1074 . 1 1 99 99 PHE CB C 13 41.02 0.30 . 1 . . . . . . . . 6391 1 1075 . 1 1 99 99 PHE HB3 H 1 2.18 0.04 . 1 . . . . . . . . 6391 1 1076 . 1 1 99 99 PHE HB2 H 1 1.82 0.04 . 1 . . . . . . . . 6391 1 1077 . 1 1 99 99 PHE CD1 C 13 131.86 0.30 . 3 . . . . . . . . 6391 1 1078 . 1 1 99 99 PHE HD1 H 1 6.30 0.04 . 3 . . . . . . . . 6391 1 1079 . 1 1 99 99 PHE CE1 C 13 129.28 0.30 . 3 . . . . . . . . 6391 1 1080 . 1 1 99 99 PHE HE1 H 1 6.62 0.04 . 3 . . . . . . . . 6391 1 1081 . 1 1 99 99 PHE CZ C 13 125.58 0.30 . 1 . . . . . . . . 6391 1 1082 . 1 1 99 99 PHE HZ H 1 6.43 0.04 . 1 . . . . . . . . 6391 1 1083 . 1 1 100 100 ASP N N 15 124.23 0.40 . 1 . . . . . . . . 6391 1 1084 . 1 1 100 100 ASP H H 1 8.21 0.04 . 1 . . . . . . . . 6391 1 1085 . 1 1 100 100 ASP C C 13 179.46 0.30 . 1 . . . . . . . . 6391 1 1086 . 1 1 100 100 ASP CA C 13 54.03 0.30 . 1 . . . . . . . . 6391 1 1087 . 1 1 100 100 ASP HA H 1 4.56 0.04 . 1 . . . . . . . . 6391 1 1088 . 1 1 100 100 ASP CB C 13 40.12 0.30 . 1 . . . . . . . . 6391 1 1089 . 1 1 100 100 ASP HB3 H 1 3.16 0.04 . 2 . . . . . . . . 6391 1 1090 . 1 1 100 100 ASP HB2 H 1 0.81 0.04 . 2 . . . . . . . . 6391 1 1091 . 1 1 101 101 GLU N N 15 131.95 0.40 . 1 . . . . . . . . 6391 1 1092 . 1 1 101 101 GLU H H 1 9.54 0.04 . 1 . . . . . . . . 6391 1 1093 . 1 1 101 101 GLU C C 13 176.61 0.30 . 1 . . . . . . . . 6391 1 1094 . 1 1 101 101 GLU CA C 13 56.21 0.30 . 1 . . . . . . . . 6391 1 1095 . 1 1 101 101 GLU HA H 1 4.55 0.04 . 1 . . . . . . . . 6391 1 1096 . 1 1 101 101 GLU CB C 13 31.36 0.30 . 1 . . . . . . . . 6391 1 1097 . 1 1 101 101 GLU HB3 H 1 1.76 0.04 . 1 . . . . . . . . 6391 1 1098 . 1 1 101 101 GLU HB2 H 1 2.12 0.04 . 1 . . . . . . . . 6391 1 1099 . 1 1 101 101 GLU CG C 13 36.46 0.30 . 1 . . . . . . . . 6391 1 1100 . 1 1 101 101 GLU HG3 H 1 2.82 0.04 . 2 . . . . . . . . 6391 1 1101 . 1 1 101 101 GLU HG2 H 1 2.41 0.04 . 2 . . . . . . . . 6391 1 1102 . 1 1 102 102 ASP N N 15 120.66 0.40 . 1 . . . . . . . . 6391 1 1103 . 1 1 102 102 ASP H H 1 9.10 0.04 . 1 . . . . . . . . 6391 1 1104 . 1 1 102 102 ASP C C 13 177.28 0.30 . 1 . . . . . . . . 6391 1 1105 . 1 1 102 102 ASP CA C 13 56.68 0.30 . 1 . . . . . . . . 6391 1 1106 . 1 1 102 102 ASP HA H 1 4.86 0.04 . 1 . . . . . . . . 6391 1 1107 . 1 1 102 102 ASP CB C 13 39.17 0.30 . 1 . . . . . . . . 6391 1 1108 . 1 1 102 102 ASP HB3 H 1 2.75 0.04 . 2 . . . . . . . . 6391 1 1109 . 1 1 102 102 ASP HB2 H 1 2.62 0.04 . 2 . . . . . . . . 6391 1 1110 . 1 1 103 103 GLU N N 15 117.99 0.40 . 1 . . . . . . . . 6391 1 1111 . 1 1 103 103 GLU H H 1 7.47 0.04 . 1 . . . . . . . . 6391 1 1112 . 1 1 103 103 GLU C C 13 174.92 0.30 . 1 . . . . . . . . 6391 1 1113 . 1 1 103 103 GLU CA C 13 53.67 0.30 . 1 . . . . . . . . 6391 1 1114 . 1 1 103 103 GLU HA H 1 4.52 0.04 . 1 . . . . . . . . 6391 1 1115 . 1 1 103 103 GLU CB C 13 26.15 0.30 . 1 . . . . . . . . 6391 1 1116 . 1 1 103 103 GLU HB3 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 1117 . 1 1 103 103 GLU HB2 H 1 0.80 0.04 . 1 . . . . . . . . 6391 1 1118 . 1 1 103 103 GLU CG C 13 35.69 0.30 . 1 . . . . . . . . 6391 1 1119 . 1 1 103 103 GLU HG3 H 1 2.71 0.04 . 2 . . . . . . . . 6391 1 1120 . 1 1 104 104 PHE N N 15 127.58 0.40 . 1 . . . . . . . . 6391 1 1121 . 1 1 104 104 PHE H H 1 8.46 0.04 . 1 . . . . . . . . 6391 1 1122 . 1 1 104 104 PHE C C 13 172.77 0.30 . 1 . . . . . . . . 6391 1 1123 . 1 1 104 104 PHE CA C 13 55.26 0.30 . 1 . . . . . . . . 6391 1 1124 . 1 1 104 104 PHE HA H 1 5.00 0.04 . 1 . . . . . . . . 6391 1 1125 . 1 1 104 104 PHE CB C 13 38.78 0.30 . 1 . . . . . . . . 6391 1 1126 . 1 1 104 104 PHE HB3 H 1 2.94 0.04 . 1 . . . . . . . . 6391 1 1127 . 1 1 104 104 PHE HB2 H 1 2.77 0.04 . 1 . . . . . . . . 6391 1 1128 . 1 1 104 104 PHE CD1 C 13 131.32 0.30 . 3 . . . . . . . . 6391 1 1129 . 1 1 104 104 PHE HD1 H 1 7.14 0.04 . 3 . . . . . . . . 6391 1 1130 . 1 1 105 105 TRP N N 15 132.78 0.40 . 1 . . . . . . . . 6391 1 1131 . 1 1 105 105 TRP H H 1 9.27 0.04 . 1 . . . . . . . . 6391 1 1132 . 1 1 105 105 TRP C C 13 176.50 0.30 . 1 . . . . . . . . 6391 1 1133 . 1 1 105 105 TRP CA C 13 56.67 0.30 . 1 . . . . . . . . 6391 1 1134 . 1 1 105 105 TRP HA H 1 4.97 0.04 . 1 . . . . . . . . 6391 1 1135 . 1 1 105 105 TRP CB C 13 30.51 0.30 . 1 . . . . . . . . 6391 1 1136 . 1 1 105 105 TRP HB3 H 1 3.28 0.04 . 1 . . . . . . . . 6391 1 1137 . 1 1 105 105 TRP HB2 H 1 2.82 0.04 . 1 . . . . . . . . 6391 1 1138 . 1 1 105 105 TRP CD1 C 13 128.32 0.30 . 1 . . . . . . . . 6391 1 1139 . 1 1 105 105 TRP HD1 H 1 7.46 0.04 . 1 . . . . . . . . 6391 1 1140 . 1 1 105 105 TRP CH2 C 13 123.89 0.30 . 1 . . . . . . . . 6391 1 1141 . 1 1 105 105 TRP HH2 H 1 7.29 0.04 . 1 . . . . . . . . 6391 1 1142 . 1 1 105 105 TRP CZ2 C 13 116.08 0.30 . 1 . . . . . . . . 6391 1 1143 . 1 1 105 105 TRP HZ2 H 1 8.08 0.04 . 1 . . . . . . . . 6391 1 1144 . 1 1 105 105 TRP NE1 N 15 127.10 0.40 . 1 . . . . . . . . 6391 1 1145 . 1 1 105 105 TRP HE1 H 1 9.42 0.04 . 1 . . . . . . . . 6391 1 1146 . 1 1 106 106 THR N N 15 111.07 0.40 . 1 . . . . . . . . 6391 1 1147 . 1 1 106 106 THR H H 1 8.35 0.04 . 1 . . . . . . . . 6391 1 1148 . 1 1 106 106 THR C C 13 175.90 0.30 . 1 . . . . . . . . 6391 1 1149 . 1 1 106 106 THR CA C 13 59.83 0.30 . 1 . . . . . . . . 6391 1 1150 . 1 1 106 106 THR HA H 1 4.66 0.04 . 1 . . . . . . . . 6391 1 1151 . 1 1 106 106 THR CB C 13 71.81 0.30 . 1 . . . . . . . . 6391 1 1152 . 1 1 106 106 THR HB H 1 3.66 0.04 . 1 . . . . . . . . 6391 1 1153 . 1 1 106 106 THR CG2 C 13 20.56 0.30 . 1 . . . . . . . . 6391 1 1154 . 1 1 106 106 THR HG21 H 1 0.65 0.04 . 1 . . . . . . . . 6391 1 1155 . 1 1 106 106 THR HG22 H 1 0.65 0.04 . 1 . . . . . . . . 6391 1 1156 . 1 1 106 106 THR HG23 H 1 0.65 0.04 . 1 . . . . . . . . 6391 1 1157 . 1 1 107 107 THR N N 15 111.45 0.40 . 1 . . . . . . . . 6391 1 1158 . 1 1 107 107 THR H H 1 8.35 0.04 . 1 . . . . . . . . 6391 1 1159 . 1 1 107 107 THR C C 13 175.51 0.30 . 1 . . . . . . . . 6391 1 1160 . 1 1 107 107 THR CA C 13 62.45 0.30 . 1 . . . . . . . . 6391 1 1161 . 1 1 107 107 THR HA H 1 4.41 0.04 . 1 . . . . . . . . 6391 1 1162 . 1 1 107 107 THR CB C 13 69.25 0.30 . 1 . . . . . . . . 6391 1 1163 . 1 1 107 107 THR HB H 1 4.52 0.04 . 1 . . . . . . . . 6391 1 1164 . 1 1 107 107 THR CG2 C 13 22.45 0.30 . 1 . . . . . . . . 6391 1 1165 . 1 1 107 107 THR HG21 H 1 1.39 0.04 . 1 . . . . . . . . 6391 1 1166 . 1 1 107 107 THR HG22 H 1 1.39 0.04 . 1 . . . . . . . . 6391 1 1167 . 1 1 107 107 THR HG23 H 1 1.39 0.04 . 1 . . . . . . . . 6391 1 1168 . 1 1 108 108 HIS N N 15 123.92 0.40 . 1 . . . . . . . . 6391 1 1169 . 1 1 108 108 HIS H H 1 8.11 0.04 . 1 . . . . . . . . 6391 1 1170 . 1 1 108 108 HIS C C 13 174.11 0.30 . 1 . . . . . . . . 6391 1 1171 . 1 1 108 108 HIS CA C 13 55.34 0.30 . 1 . . . . . . . . 6391 1 1172 . 1 1 108 108 HIS HA H 1 5.14 0.04 . 1 . . . . . . . . 6391 1 1173 . 1 1 108 108 HIS CB C 13 30.53 0.30 . 1 . . . . . . . . 6391 1 1174 . 1 1 108 108 HIS HB3 H 1 3.27 0.04 . 1 . . . . . . . . 6391 1 1175 . 1 1 108 108 HIS HB2 H 1 3.44 0.04 . 1 . . . . . . . . 6391 1 1176 . 1 1 108 108 HIS CD2 C 13 119.59 0.30 . 1 . . . . . . . . 6391 1 1177 . 1 1 108 108 HIS HD2 H 1 7.26 0.04 . 1 . . . . . . . . 6391 1 1178 . 1 1 108 108 HIS CE1 C 13 138.46 0.30 . 1 . . . . . . . . 6391 1 1179 . 1 1 108 108 HIS HE1 H 1 8.02 0.04 . 1 . . . . . . . . 6391 1 1180 . 1 1 109 109 SER N N 15 116.32 0.40 . 1 . . . . . . . . 6391 1 1181 . 1 1 109 109 SER H H 1 8.04 0.04 . 1 . . . . . . . . 6391 1 1182 . 1 1 109 109 SER C C 13 175.39 0.30 . 1 . . . . . . . . 6391 1 1183 . 1 1 109 109 SER CA C 13 58.38 0.30 . 1 . . . . . . . . 6391 1 1184 . 1 1 109 109 SER HA H 1 3.72 0.04 . 1 . . . . . . . . 6391 1 1185 . 1 1 109 109 SER CB C 13 63.54 0.30 . 1 . . . . . . . . 6391 1 1186 . 1 1 109 109 SER HB3 H 1 3.49 0.04 . 1 . . . . . . . . 6391 1 1187 . 1 1 109 109 SER HB2 H 1 3.05 0.04 . 1 . . . . . . . . 6391 1 1188 . 1 1 110 110 GLY N N 15 115.36 0.40 . 1 . . . . . . . . 6391 1 1189 . 1 1 110 110 GLY H H 1 9.37 0.04 . 1 . . . . . . . . 6391 1 1190 . 1 1 110 110 GLY C C 13 173.75 0.30 . 1 . . . . . . . . 6391 1 1191 . 1 1 110 110 GLY CA C 13 44.96 0.30 . 1 . . . . . . . . 6391 1 1192 . 1 1 110 110 GLY HA3 H 1 4.10 0.04 . 2 . . . . . . . . 6391 1 1193 . 1 1 110 110 GLY HA2 H 1 3.89 0.04 . 2 . . . . . . . . 6391 1 1194 . 1 1 111 111 GLY N N 15 109.99 0.40 . 1 . . . . . . . . 6391 1 1195 . 1 1 111 111 GLY H H 1 7.94 0.04 . 1 . . . . . . . . 6391 1 1196 . 1 1 111 111 GLY C C 13 173.63 0.30 . 1 . . . . . . . . 6391 1 1197 . 1 1 111 111 GLY CA C 13 45.84 0.30 . 1 . . . . . . . . 6391 1 1198 . 1 1 111 111 GLY HA3 H 1 4.09 0.04 . 2 . . . . . . . . 6391 1 1199 . 1 1 111 111 GLY HA2 H 1 3.97 0.04 . 2 . . . . . . . . 6391 1 1200 . 1 1 112 112 THR N N 15 125.38 0.40 . 1 . . . . . . . . 6391 1 1201 . 1 1 112 112 THR H H 1 9.16 0.04 . 1 . . . . . . . . 6391 1 1202 . 1 1 112 112 THR C C 13 172.76 0.30 . 1 . . . . . . . . 6391 1 1203 . 1 1 112 112 THR CA C 13 62.77 0.30 . 1 . . . . . . . . 6391 1 1204 . 1 1 112 112 THR HA H 1 3.85 0.04 . 1 . . . . . . . . 6391 1 1205 . 1 1 112 112 THR CB C 13 68.47 0.30 . 1 . . . . . . . . 6391 1 1206 . 1 1 112 112 THR HB H 1 2.60 0.04 . 1 . . . . . . . . 6391 1 1207 . 1 1 112 112 THR CG2 C 13 25.19 0.30 . 1 . . . . . . . . 6391 1 1208 . 1 1 112 112 THR HG21 H 1 0.67 0.04 . 1 . . . . . . . . 6391 1 1209 . 1 1 112 112 THR HG22 H 1 0.67 0.04 . 1 . . . . . . . . 6391 1 1210 . 1 1 112 112 THR HG23 H 1 0.67 0.04 . 1 . . . . . . . . 6391 1 1211 . 1 1 113 113 ASN N N 15 126.92 0.40 . 1 . . . . . . . . 6391 1 1212 . 1 1 113 113 ASN H H 1 8.29 0.04 . 1 . . . . . . . . 6391 1 1213 . 1 1 113 113 ASN C C 13 176.64 0.30 . 1 . . . . . . . . 6391 1 1214 . 1 1 113 113 ASN CA C 13 55.67 0.30 . 1 . . . . . . . . 6391 1 1215 . 1 1 113 113 ASN HA H 1 4.98 0.04 . 1 . . . . . . . . 6391 1 1216 . 1 1 113 113 ASN CB C 13 41.41 0.30 . 1 . . . . . . . . 6391 1 1217 . 1 1 113 113 ASN HB3 H 1 3.21 0.04 . 2 . . . . . . . . 6391 1 1218 . 1 1 113 113 ASN ND2 N 15 112.55 0.40 . 1 . . . . . . . . 6391 1 1219 . 1 1 113 113 ASN HD21 H 1 8.14 0.04 . 2 . . . . . . . . 6391 1 1220 . 1 1 113 113 ASN HD22 H 1 6.31 0.04 . 2 . . . . . . . . 6391 1 1221 . 1 1 114 114 LEU N N 15 133.69 0.40 . 1 . . . . . . . . 6391 1 1222 . 1 1 114 114 LEU H H 1 8.75 0.04 . 1 . . . . . . . . 6391 1 1223 . 1 1 114 114 LEU C C 13 176.36 0.30 . 1 . . . . . . . . 6391 1 1224 . 1 1 114 114 LEU CA C 13 59.06 0.30 . 1 . . . . . . . . 6391 1 1225 . 1 1 114 114 LEU HA H 1 4.59 0.04 . 1 . . . . . . . . 6391 1 1226 . 1 1 114 114 LEU CB C 13 41.14 0.30 . 1 . . . . . . . . 6391 1 1227 . 1 1 114 114 LEU HB3 H 1 1.93 0.04 . 1 . . . . . . . . 6391 1 1228 . 1 1 114 114 LEU HB2 H 1 1.73 0.04 . 1 . . . . . . . . 6391 1 1229 . 1 1 114 114 LEU CG C 13 27.50 0.30 . 1 . . . . . . . . 6391 1 1230 . 1 1 114 114 LEU HG H 1 1.26 0.04 . 1 . . . . . . . . 6391 1 1231 . 1 1 114 114 LEU CD1 C 13 22.60 0.30 . 1 . . . . . . . . 6391 1 1232 . 1 1 114 114 LEU HD11 H 1 0.04 0.04 . 2 . . . . . . . . 6391 1 1233 . 1 1 114 114 LEU HD12 H 1 0.04 0.04 . 2 . . . . . . . . 6391 1 1234 . 1 1 114 114 LEU HD13 H 1 0.04 0.04 . 2 . . . . . . . . 6391 1 1235 . 1 1 114 114 LEU CD2 C 13 27.92 0.30 . 1 . . . . . . . . 6391 1 1236 . 1 1 114 114 LEU HD21 H 1 0.91 0.04 . 2 . . . . . . . . 6391 1 1237 . 1 1 114 114 LEU HD22 H 1 0.91 0.04 . 2 . . . . . . . . 6391 1 1238 . 1 1 114 114 LEU HD23 H 1 0.91 0.04 . 2 . . . . . . . . 6391 1 1239 . 1 1 115 115 PHE N N 15 121.69 0.40 . 1 . . . . . . . . 6391 1 1240 . 1 1 115 115 PHE H H 1 9.34 0.04 . 1 . . . . . . . . 6391 1 1241 . 1 1 115 115 PHE C C 13 175.65 0.30 . 1 . . . . . . . . 6391 1 1242 . 1 1 115 115 PHE CA C 13 61.39 0.30 . 1 . . . . . . . . 6391 1 1243 . 1 1 115 115 PHE HA H 1 4.06 0.04 . 1 . . . . . . . . 6391 1 1244 . 1 1 115 115 PHE CB C 13 37.88 0.30 . 1 . . . . . . . . 6391 1 1245 . 1 1 115 115 PHE HB3 H 1 3.53 0.04 . 2 . . . . . . . . 6391 1 1246 . 1 1 115 115 PHE HB2 H 1 3.27 0.04 . 2 . . . . . . . . 6391 1 1247 . 1 1 115 115 PHE CD1 C 13 132.31 0.30 . 3 . . . . . . . . 6391 1 1248 . 1 1 115 115 PHE HD1 H 1 7.36 0.04 . 3 . . . . . . . . 6391 1 1249 . 1 1 115 115 PHE CE1 C 13 130.24 0.30 . 3 . . . . . . . . 6391 1 1250 . 1 1 115 115 PHE HE1 H 1 6.63 0.04 . 3 . . . . . . . . 6391 1 1251 . 1 1 115 115 PHE HZ H 1 6.8700 0.04 . 1 . . . . . . . . 6391 1 1252 . 1 1 116 116 LEU N N 15 119.93 0.40 . 1 . . . . . . . . 6391 1 1253 . 1 1 116 116 LEU H H 1 9.26 0.04 . 1 . . . . . . . . 6391 1 1254 . 1 1 116 116 LEU C C 13 178.90 0.30 . 1 . . . . . . . . 6391 1 1255 . 1 1 116 116 LEU CA C 13 57.83 0.30 . 1 . . . . . . . . 6391 1 1256 . 1 1 116 116 LEU HA H 1 3.30 0.04 . 1 . . . . . . . . 6391 1 1257 . 1 1 116 116 LEU CB C 13 43.72 0.30 . 1 . . . . . . . . 6391 1 1258 . 1 1 116 116 LEU HB3 H 1 1.84 0.04 . 1 . . . . . . . . 6391 1 1259 . 1 1 116 116 LEU HB2 H 1 1.97 0.04 . 1 . . . . . . . . 6391 1 1260 . 1 1 116 116 LEU CG C 13 27.15 0.30 . 1 . . . . . . . . 6391 1 1261 . 1 1 116 116 LEU HG H 1 1.97 0.04 . 1 . . . . . . . . 6391 1 1262 . 1 1 116 116 LEU CD1 C 13 25.53 0.30 . 1 . . . . . . . . 6391 1 1263 . 1 1 116 116 LEU HD11 H 1 1.07 0.04 . 2 . . . . . . . . 6391 1 1264 . 1 1 116 116 LEU HD12 H 1 1.07 0.04 . 2 . . . . . . . . 6391 1 1265 . 1 1 116 116 LEU HD13 H 1 1.07 0.04 . 2 . . . . . . . . 6391 1 1266 . 1 1 116 116 LEU CD2 C 13 24.61 0.30 . 1 . . . . . . . . 6391 1 1267 . 1 1 116 116 LEU HD21 H 1 0.71 0.04 . 2 . . . . . . . . 6391 1 1268 . 1 1 116 116 LEU HD22 H 1 0.71 0.04 . 2 . . . . . . . . 6391 1 1269 . 1 1 116 116 LEU HD23 H 1 0.71 0.04 . 2 . . . . . . . . 6391 1 1270 . 1 1 117 117 THR N N 15 115.06 0.40 . 1 . . . . . . . . 6391 1 1271 . 1 1 117 117 THR H H 1 7.87 0.04 . 1 . . . . . . . . 6391 1 1272 . 1 1 117 117 THR C C 13 176.50 0.30 . 1 . . . . . . . . 6391 1 1273 . 1 1 117 117 THR CA C 13 66.62 0.30 . 1 . . . . . . . . 6391 1 1274 . 1 1 117 117 THR HA H 1 5.01 0.04 . 1 . . . . . . . . 6391 1 1275 . 1 1 117 117 THR CB C 13 68.31 0.30 . 1 . . . . . . . . 6391 1 1276 . 1 1 117 117 THR HB H 1 4.68 0.04 . 1 . . . . . . . . 6391 1 1277 . 1 1 117 117 THR CG2 C 13 22.02 0.30 . 1 . . . . . . . . 6391 1 1278 . 1 1 117 117 THR HG21 H 1 1.93 0.04 . 1 . . . . . . . . 6391 1 1279 . 1 1 117 117 THR HG22 H 1 1.93 0.04 . 1 . . . . . . . . 6391 1 1280 . 1 1 117 117 THR HG23 H 1 1.93 0.04 . 1 . . . . . . . . 6391 1 1281 . 1 1 118 118 ALA N N 15 125.69 0.40 . 1 . . . . . . . . 6391 1 1282 . 1 1 118 118 ALA H H 1 9.40 0.04 . 1 . . . . . . . . 6391 1 1283 . 1 1 118 118 ALA C C 13 178.23 0.30 . 1 . . . . . . . . 6391 1 1284 . 1 1 118 118 ALA CA C 13 55.87 0.30 . 1 . . . . . . . . 6391 1 1285 . 1 1 118 118 ALA HA H 1 3.96 0.04 . 1 . . . . . . . . 6391 1 1286 . 1 1 118 118 ALA CB C 13 16.88 0.30 . 1 . . . . . . . . 6391 1 1287 . 1 1 118 118 ALA HB1 H 1 1.16 0.04 . 1 . . . . . . . . 6391 1 1288 . 1 1 118 118 ALA HB2 H 1 1.16 0.04 . 1 . . . . . . . . 6391 1 1289 . 1 1 118 118 ALA HB3 H 1 1.16 0.04 . 1 . . . . . . . . 6391 1 1290 . 1 1 119 119 VAL N N 15 119.42 0.40 . 1 . . . . . . . . 6391 1 1291 . 1 1 119 119 VAL H H 1 8.44 0.04 . 1 . . . . . . . . 6391 1 1292 . 1 1 119 119 VAL C C 13 178.52 0.30 . 1 . . . . . . . . 6391 1 1293 . 1 1 119 119 VAL CA C 13 68.46 0.30 . 1 . . . . . . . . 6391 1 1294 . 1 1 119 119 VAL HA H 1 3.14 0.04 . 1 . . . . . . . . 6391 1 1295 . 1 1 119 119 VAL CB C 13 30.92 0.30 . 1 . . . . . . . . 6391 1 1296 . 1 1 119 119 VAL HB H 1 1.75 0.04 . 1 . . . . . . . . 6391 1 1297 . 1 1 119 119 VAL CG1 C 13 23.90 0.30 . 1 . . . . . . . . 6391 1 1298 . 1 1 119 119 VAL HG11 H 1 0.69 0.04 . 2 . . . . . . . . 6391 1 1299 . 1 1 119 119 VAL HG12 H 1 0.69 0.04 . 2 . . . . . . . . 6391 1 1300 . 1 1 119 119 VAL HG13 H 1 0.69 0.04 . 2 . . . . . . . . 6391 1 1301 . 1 1 119 119 VAL CG2 C 13 23.24 0.30 . 1 . . . . . . . . 6391 1 1302 . 1 1 119 119 VAL HG21 H 1 0.17 0.04 . 2 . . . . . . . . 6391 1 1303 . 1 1 119 119 VAL HG22 H 1 0.17 0.04 . 2 . . . . . . . . 6391 1 1304 . 1 1 119 119 VAL HG23 H 1 0.17 0.04 . 2 . . . . . . . . 6391 1 1305 . 1 1 120 120 HIS N N 15 118.11 0.40 . 1 . . . . . . . . 6391 1 1306 . 1 1 120 120 HIS H H 1 7.26 0.04 . 1 . . . . . . . . 6391 1 1307 . 1 1 120 120 HIS C C 13 175.84 0.30 . 1 . . . . . . . . 6391 1 1308 . 1 1 120 120 HIS CA C 13 59.15 0.30 . 1 . . . . . . . . 6391 1 1309 . 1 1 120 120 HIS HA H 1 3.86 0.04 . 1 . . . . . . . . 6391 1 1310 . 1 1 120 120 HIS CB C 13 28.42 0.30 . 1 . . . . . . . . 6391 1 1311 . 1 1 120 120 HIS HB3 H 1 3.04 0.04 . 1 . . . . . . . . 6391 1 1312 . 1 1 120 120 HIS HB2 H 1 2.04 0.04 . 1 . . . . . . . . 6391 1 1313 . 1 1 121 121 GLU N N 15 114.76 0.40 . 1 . . . . . . . . 6391 1 1314 . 1 1 121 121 GLU H H 1 8.60 0.04 . 1 . . . . . . . . 6391 1 1315 . 1 1 121 121 GLU C C 13 177.88 0.30 . 1 . . . . . . . . 6391 1 1316 . 1 1 121 121 GLU CA C 13 57.49 0.30 . 1 . . . . . . . . 6391 1 1317 . 1 1 121 121 GLU HA H 1 3.97 0.04 . 1 . . . . . . . . 6391 1 1318 . 1 1 121 121 GLU CB C 13 26.66 0.30 . 1 . . . . . . . . 6391 1 1319 . 1 1 121 121 GLU HB3 H 1 1.82 0.04 . 1 . . . . . . . . 6391 1 1320 . 1 1 121 121 GLU HB2 H 1 1.49 0.04 . 1 . . . . . . . . 6391 1 1321 . 1 1 121 121 GLU CG C 13 31.29 0.30 . 1 . . . . . . . . 6391 1 1322 . 1 1 122 122 ILE N N 15 119.90 0.40 . 1 . . . . . . . . 6391 1 1323 . 1 1 122 122 ILE H H 1 9.03 0.04 . 1 . . . . . . . . 6391 1 1324 . 1 1 122 122 ILE C C 13 177.37 0.30 . 1 . . . . . . . . 6391 1 1325 . 1 1 122 122 ILE CA C 13 63.77 0.30 . 1 . . . . . . . . 6391 1 1326 . 1 1 122 122 ILE HA H 1 3.56 0.04 . 1 . . . . . . . . 6391 1 1327 . 1 1 122 122 ILE CB C 13 37.09 0.30 . 1 . . . . . . . . 6391 1 1328 . 1 1 122 122 ILE HB H 1 1.42 0.04 . 1 . . . . . . . . 6391 1 1329 . 1 1 122 122 ILE CG1 C 13 29.47 0.30 . 1 . . . . . . . . 6391 1 1330 . 1 1 122 122 ILE HG13 H 1 1.09 0.04 . 2 . . . . . . . . 6391 1 1331 . 1 1 122 122 ILE HG12 H 1 0.28 0.04 . 2 . . . . . . . . 6391 1 1332 . 1 1 122 122 ILE CG2 C 13 18.67 0.30 . 1 . . . . . . . . 6391 1 1333 . 1 1 122 122 ILE HG21 H 1 0.21 0.04 . 1 . . . . . . . . 6391 1 1334 . 1 1 122 122 ILE HG22 H 1 0.21 0.04 . 1 . . . . . . . . 6391 1 1335 . 1 1 122 122 ILE HG23 H 1 0.21 0.04 . 1 . . . . . . . . 6391 1 1336 . 1 1 122 122 ILE CD1 C 13 12.10 0.30 . 1 . . . . . . . . 6391 1 1337 . 1 1 122 122 ILE HD11 H 1 -0.52 0.04 . 1 . . . . . . . . 6391 1 1338 . 1 1 122 122 ILE HD12 H 1 -0.52 0.04 . 1 . . . . . . . . 6391 1 1339 . 1 1 122 122 ILE HD13 H 1 -0.52 0.04 . 1 . . . . . . . . 6391 1 1340 . 1 1 123 123 GLY N N 15 109.10 0.40 . 1 . . . . . . . . 6391 1 1341 . 1 1 123 123 GLY H H 1 7.46 0.04 . 1 . . . . . . . . 6391 1 1342 . 1 1 123 123 GLY C C 13 176.78 0.30 . 1 . . . . . . . . 6391 1 1343 . 1 1 123 123 GLY CA C 13 48.00 0.30 . 1 . . . . . . . . 6391 1 1344 . 1 1 123 123 GLY HA3 H 1 3.62 0.04 . 2 . . . . . . . . 6391 1 1345 . 1 1 123 123 GLY HA2 H 1 2.35 0.04 . 2 . . . . . . . . 6391 1 1346 . 1 1 124 124 HIS N N 15 120.71 0.40 . 1 . . . . . . . . 6391 1 1347 . 1 1 124 124 HIS H H 1 6.94 0.04 . 1 . . . . . . . . 6391 1 1348 . 1 1 124 124 HIS C C 13 180.11 0.30 . 1 . . . . . . . . 6391 1 1349 . 1 1 124 124 HIS CA C 13 58.28 0.30 . 1 . . . . . . . . 6391 1 1350 . 1 1 124 124 HIS HA H 1 4.70 0.04 . 1 . . . . . . . . 6391 1 1351 . 1 1 124 124 HIS CB C 13 27.42 0.30 . 1 . . . . . . . . 6391 1 1352 . 1 1 124 124 HIS HB3 H 1 3.62 0.04 . 2 . . . . . . . . 6391 1 1353 . 1 1 124 124 HIS HB2 H 1 2.62 0.04 . 2 . . . . . . . . 6391 1 1354 . 1 1 125 125 SER N N 15 124.62 0.40 . 1 . . . . . . . . 6391 1 1355 . 1 1 125 125 SER H H 1 8.95 0.04 . 1 . . . . . . . . 6391 1 1356 . 1 1 125 125 SER C C 13 175.87 0.30 . 1 . . . . . . . . 6391 1 1357 . 1 1 125 125 SER CA C 13 63.02 0.30 . 1 . . . . . . . . 6391 1 1358 . 1 1 126 126 LEU N N 15 115.53 0.40 . 1 . . . . . . . . 6391 1 1359 . 1 1 126 126 LEU H H 1 7.72 0.04 . 1 . . . . . . . . 6391 1 1360 . 1 1 126 126 LEU C C 13 177.92 0.30 . 1 . . . . . . . . 6391 1 1361 . 1 1 126 126 LEU CA C 13 54.95 0.30 . 1 . . . . . . . . 6391 1 1362 . 1 1 126 126 LEU HA H 1 4.60 0.04 . 1 . . . . . . . . 6391 1 1363 . 1 1 126 126 LEU CB C 13 42.00 0.30 . 1 . . . . . . . . 6391 1 1364 . 1 1 126 126 LEU HB3 H 1 1.69 0.04 . 2 . . . . . . . . 6391 1 1365 . 1 1 126 126 LEU CG C 13 25.51 0.30 . 1 . . . . . . . . 6391 1 1366 . 1 1 126 126 LEU HG H 1 2.00 0.04 . 1 . . . . . . . . 6391 1 1367 . 1 1 126 126 LEU CD1 C 13 24.54 0.30 . 1 . . . . . . . . 6391 1 1368 . 1 1 126 126 LEU HD11 H 1 0.32 0.04 . 2 . . . . . . . . 6391 1 1369 . 1 1 126 126 LEU HD12 H 1 0.32 0.04 . 2 . . . . . . . . 6391 1 1370 . 1 1 126 126 LEU HD13 H 1 0.32 0.04 . 2 . . . . . . . . 6391 1 1371 . 1 1 126 126 LEU CD2 C 13 21.54 0.30 . 1 . . . . . . . . 6391 1 1372 . 1 1 126 126 LEU HD21 H 1 0.85 0.04 . 2 . . . . . . . . 6391 1 1373 . 1 1 126 126 LEU HD22 H 1 0.85 0.04 . 2 . . . . . . . . 6391 1 1374 . 1 1 126 126 LEU HD23 H 1 0.85 0.04 . 2 . . . . . . . . 6391 1 1375 . 1 1 127 127 GLY N N 15 108.26 0.40 . 1 . . . . . . . . 6391 1 1376 . 1 1 127 127 GLY H H 1 8.19 0.04 . 1 . . . . . . . . 6391 1 1377 . 1 1 127 127 GLY C C 13 174.01 0.30 . 1 . . . . . . . . 6391 1 1378 . 1 1 127 127 GLY CA C 13 44.19 0.30 . 1 . . . . . . . . 6391 1 1379 . 1 1 127 127 GLY HA3 H 1 4.63 0.04 . 2 . . . . . . . . 6391 1 1380 . 1 1 127 127 GLY HA2 H 1 3.49 0.04 . 2 . . . . . . . . 6391 1 1381 . 1 1 128 128 LEU N N 15 122.40 0.40 . 1 . . . . . . . . 6391 1 1382 . 1 1 128 128 LEU H H 1 8.19 0.04 . 1 . . . . . . . . 6391 1 1383 . 1 1 128 128 LEU C C 13 177.33 0.30 . 1 . . . . . . . . 6391 1 1384 . 1 1 128 128 LEU CA C 13 55.24 0.30 . 1 . . . . . . . . 6391 1 1385 . 1 1 128 128 LEU HA H 1 4.17 0.04 . 1 . . . . . . . . 6391 1 1386 . 1 1 128 128 LEU CB C 13 42.88 0.30 . 1 . . . . . . . . 6391 1 1387 . 1 1 128 128 LEU HB3 H 1 1.41 0.04 . 2 . . . . . . . . 6391 1 1388 . 1 1 128 128 LEU HB2 H 1 1.11 0.04 . 2 . . . . . . . . 6391 1 1389 . 1 1 128 128 LEU CG C 13 26.04 0.30 . 1 . . . . . . . . 6391 1 1390 . 1 1 128 128 LEU HG H 1 1.37 0.04 . 1 . . . . . . . . 6391 1 1391 . 1 1 128 128 LEU CD1 C 13 26.20 0.30 . 1 . . . . . . . . 6391 1 1392 . 1 1 128 128 LEU HD11 H 1 0.63 0.04 . 2 . . . . . . . . 6391 1 1393 . 1 1 128 128 LEU HD12 H 1 0.63 0.04 . 2 . . . . . . . . 6391 1 1394 . 1 1 128 128 LEU HD13 H 1 0.63 0.04 . 2 . . . . . . . . 6391 1 1395 . 1 1 128 128 LEU CD2 C 13 22.90 0.30 . 1 . . . . . . . . 6391 1 1396 . 1 1 128 128 LEU HD21 H 1 0.64 0.04 . 2 . . . . . . . . 6391 1 1397 . 1 1 128 128 LEU HD22 H 1 0.64 0.04 . 2 . . . . . . . . 6391 1 1398 . 1 1 128 128 LEU HD23 H 1 0.64 0.04 . 2 . . . . . . . . 6391 1 1399 . 1 1 129 129 GLY N N 15 111.88 0.40 . 1 . . . . . . . . 6391 1 1400 . 1 1 129 129 GLY H H 1 8.13 0.04 . 1 . . . . . . . . 6391 1 1401 . 1 1 129 129 GLY C C 13 173.15 0.30 . 1 . . . . . . . . 6391 1 1402 . 1 1 129 129 GLY CA C 13 43.32 0.30 . 1 . . . . . . . . 6391 1 1403 . 1 1 129 129 GLY HA3 H 1 4.28 0.04 . 2 . . . . . . . . 6391 1 1404 . 1 1 129 129 GLY HA2 H 1 3.60 0.04 . 2 . . . . . . . . 6391 1 1405 . 1 1 130 130 HIS N N 15 116.79 0.40 . 1 . . . . . . . . 6391 1 1406 . 1 1 130 130 HIS H H 1 8.33 0.04 . 1 . . . . . . . . 6391 1 1407 . 1 1 130 130 HIS C C 13 175.08 0.30 . 1 . . . . . . . . 6391 1 1408 . 1 1 130 130 HIS CA C 13 55.21 0.30 . 1 . . . . . . . . 6391 1 1409 . 1 1 130 130 HIS HA H 1 5.51 0.04 . 1 . . . . . . . . 6391 1 1410 . 1 1 130 130 HIS CB C 13 31.23 0.30 . 1 . . . . . . . . 6391 1 1411 . 1 1 130 130 HIS HB3 H 1 3.11 0.04 . 2 . . . . . . . . 6391 1 1412 . 1 1 130 130 HIS CD2 C 13 125.55 0.30 . 1 . . . . . . . . 6391 1 1413 . 1 1 130 130 HIS HD2 H 1 7.04 0.04 . 1 . . . . . . . . 6391 1 1414 . 1 1 130 130 HIS CE1 C 13 140.27 0.30 . 1 . . . . . . . . 6391 1 1415 . 1 1 130 130 HIS HE1 H 1 8.24 0.04 . 1 . . . . . . . . 6391 1 1416 . 1 1 131 131 SER N N 15 115.60 0.40 . 1 . . . . . . . . 6391 1 1417 . 1 1 131 131 SER H H 1 7.55 0.04 . 1 . . . . . . . . 6391 1 1418 . 1 1 131 131 SER C C 13 175.25 0.30 . 1 . . . . . . . . 6391 1 1419 . 1 1 131 131 SER CA C 13 55.22 0.30 . 1 . . . . . . . . 6391 1 1420 . 1 1 131 131 SER HA H 1 4.73 0.04 . 1 . . . . . . . . 6391 1 1421 . 1 1 131 131 SER CB C 13 65.45 0.30 . 1 . . . . . . . . 6391 1 1422 . 1 1 131 131 SER HB3 H 1 4.07 0.04 . 2 . . . . . . . . 6391 1 1423 . 1 1 131 131 SER HB2 H 1 3.21 0.04 . 2 . . . . . . . . 6391 1 1424 . 1 1 132 132 SER N N 15 120.11 0.40 . 1 . . . . . . . . 6391 1 1425 . 1 1 132 132 SER H H 1 8.73 0.04 . 1 . . . . . . . . 6391 1 1426 . 1 1 132 132 SER C C 13 173.82 0.30 . 1 . . . . . . . . 6391 1 1427 . 1 1 132 132 SER CA C 13 58.22 0.30 . 1 . . . . . . . . 6391 1 1428 . 1 1 132 132 SER HA H 1 4.80 0.04 . 1 . . . . . . . . 6391 1 1429 . 1 1 132 132 SER CB C 13 64.00 0.30 . 1 . . . . . . . . 6391 1 1430 . 1 1 132 132 SER HB3 H 1 4.18 0.04 . 2 . . . . . . . . 6391 1 1431 . 1 1 132 132 SER HB2 H 1 3.97 0.04 . 2 . . . . . . . . 6391 1 1432 . 1 1 133 133 ASP N N 15 127.94 0.40 . 1 . . . . . . . . 6391 1 1433 . 1 1 133 133 ASP H H 1 8.91 0.04 . 1 . . . . . . . . 6391 1 1434 . 1 1 133 133 ASP C C 13 174.82 0.30 . 1 . . . . . . . . 6391 1 1435 . 1 1 133 133 ASP CA C 13 51.36 0.30 . 1 . . . . . . . . 6391 1 1436 . 1 1 133 133 ASP HA H 1 4.91 0.04 . 1 . . . . . . . . 6391 1 1437 . 1 1 133 133 ASP CB C 13 42.19 0.30 . 1 . . . . . . . . 6391 1 1438 . 1 1 133 133 ASP HB3 H 1 3.17 0.04 . 2 . . . . . . . . 6391 1 1439 . 1 1 133 133 ASP HB2 H 1 2.53 0.04 . 2 . . . . . . . . 6391 1 1440 . 1 1 134 134 PRO C C 13 177.95 0.30 . 1 . . . . . . . . 6391 1 1441 . 1 1 134 134 PRO CA C 13 63.31 0.30 . 1 . . . . . . . . 6391 1 1442 . 1 1 134 134 PRO HA H 1 2.97 0.04 . 1 . . . . . . . . 6391 1 1443 . 1 1 134 134 PRO CB C 13 32.00 0.30 . 1 . . . . . . . . 6391 1 1444 . 1 1 134 134 PRO HB3 H 1 1.70 0.04 . 2 . . . . . . . . 6391 1 1445 . 1 1 134 134 PRO HB2 H 1 1.60 0.04 . 2 . . . . . . . . 6391 1 1446 . 1 1 134 134 PRO CG C 13 27.17 0.30 . 1 . . . . . . . . 6391 1 1447 . 1 1 134 134 PRO HG3 H 1 1.88 0.04 . 2 . . . . . . . . 6391 1 1448 . 1 1 134 134 PRO HG2 H 1 1.61 0.04 . 2 . . . . . . . . 6391 1 1449 . 1 1 134 134 PRO CD C 13 50.82 0.30 . 1 . . . . . . . . 6391 1 1450 . 1 1 134 134 PRO HD3 H 1 4.23 0.04 . 2 . . . . . . . . 6391 1 1451 . 1 1 134 134 PRO HD2 H 1 3.93 0.04 . 2 . . . . . . . . 6391 1 1452 . 1 1 135 135 LYS N N 15 118.71 0.40 . 1 . . . . . . . . 6391 1 1453 . 1 1 135 135 LYS H H 1 8.44 0.04 . 1 . . . . . . . . 6391 1 1454 . 1 1 135 135 LYS C C 13 176.64 0.30 . 1 . . . . . . . . 6391 1 1455 . 1 1 135 135 LYS CA C 13 55.97 0.30 . 1 . . . . . . . . 6391 1 1456 . 1 1 135 135 LYS HA H 1 4.28 0.04 . 1 . . . . . . . . 6391 1 1457 . 1 1 135 135 LYS CB C 13 31.90 0.30 . 1 . . . . . . . . 6391 1 1458 . 1 1 135 135 LYS HB3 H 1 1.86 0.04 . 2 . . . . . . . . 6391 1 1459 . 1 1 135 135 LYS CG C 13 24.91 0.30 . 1 . . . . . . . . 6391 1 1460 . 1 1 135 135 LYS HG3 H 1 1.44 0.04 . 2 . . . . . . . . 6391 1 1461 . 1 1 135 135 LYS CD C 13 28.36 0.30 . 1 . . . . . . . . 6391 1 1462 . 1 1 135 135 LYS HD3 H 1 1.75 0.04 . 2 . . . . . . . . 6391 1 1463 . 1 1 135 135 LYS CE C 13 41.34 0.30 . 1 . . . . . . . . 6391 1 1464 . 1 1 135 135 LYS HE3 H 1 3.04 0.04 . 2 . . . . . . . . 6391 1 1465 . 1 1 136 136 ALA N N 15 125.59 0.40 . 1 . . . . . . . . 6391 1 1466 . 1 1 136 136 ALA H H 1 8.34 0.04 . 1 . . . . . . . . 6391 1 1467 . 1 1 136 136 ALA C C 13 179.36 0.30 . 1 . . . . . . . . 6391 1 1468 . 1 1 136 136 ALA CA C 13 52.00 0.30 . 1 . . . . . . . . 6391 1 1469 . 1 1 136 136 ALA HA H 1 4.64 0.04 . 1 . . . . . . . . 6391 1 1470 . 1 1 136 136 ALA CB C 13 19.60 0.30 . 1 . . . . . . . . 6391 1 1471 . 1 1 136 136 ALA HB1 H 1 1.89 0.04 . 1 . . . . . . . . 6391 1 1472 . 1 1 136 136 ALA HB2 H 1 1.89 0.04 . 1 . . . . . . . . 6391 1 1473 . 1 1 136 136 ALA HB3 H 1 1.89 0.04 . 1 . . . . . . . . 6391 1 1474 . 1 1 137 137 VAL N N 15 132.68 0.40 . 1 . . . . . . . . 6391 1 1475 . 1 1 137 137 VAL H H 1 11.48 0.04 . 1 . . . . . . . . 6391 1 1476 . 1 1 137 137 VAL C C 13 176.62 0.30 . 1 . . . . . . . . 6391 1 1477 . 1 1 137 137 VAL CA C 13 64.16 0.30 . 1 . . . . . . . . 6391 1 1478 . 1 1 137 137 VAL HA H 1 4.57 0.04 . 1 . . . . . . . . 6391 1 1479 . 1 1 137 137 VAL CB C 13 31.21 0.30 . 1 . . . . . . . . 6391 1 1480 . 1 1 137 137 VAL HB H 1 2.47 0.04 . 1 . . . . . . . . 6391 1 1481 . 1 1 137 137 VAL CG1 C 13 20.29 0.30 . 1 . . . . . . . . 6391 1 1482 . 1 1 137 137 VAL HG11 H 1 0.92 0.04 . 2 . . . . . . . . 6391 1 1483 . 1 1 137 137 VAL HG12 H 1 0.92 0.04 . 2 . . . . . . . . 6391 1 1484 . 1 1 137 137 VAL HG13 H 1 0.92 0.04 . 2 . . . . . . . . 6391 1 1485 . 1 1 137 137 VAL CG2 C 13 23.85 0.30 . 1 . . . . . . . . 6391 1 1486 . 1 1 137 137 VAL HG21 H 1 1.24 0.04 . 2 . . . . . . . . 6391 1 1487 . 1 1 137 137 VAL HG22 H 1 1.24 0.04 . 2 . . . . . . . . 6391 1 1488 . 1 1 137 137 VAL HG23 H 1 1.24 0.04 . 2 . . . . . . . . 6391 1 1489 . 1 1 138 138 MET N N 15 115.75 0.40 . 1 . . . . . . . . 6391 1 1490 . 1 1 138 138 MET H H 1 7.62 0.04 . 1 . . . . . . . . 6391 1 1491 . 1 1 138 138 MET C C 13 176.32 0.30 . 1 . . . . . . . . 6391 1 1492 . 1 1 138 138 MET CA C 13 52.58 0.30 . 1 . . . . . . . . 6391 1 1493 . 1 1 138 138 MET HA H 1 4.63 0.04 . 1 . . . . . . . . 6391 1 1494 . 1 1 138 138 MET CB C 13 26.35 0.30 . 1 . . . . . . . . 6391 1 1495 . 1 1 138 138 MET HB3 H 1 2.75 0.04 . 1 . . . . . . . . 6391 1 1496 . 1 1 138 138 MET HB2 H 1 2.51 0.04 . 1 . . . . . . . . 6391 1 1497 . 1 1 138 138 MET CG C 13 30.43 0.30 . 1 . . . . . . . . 6391 1 1498 . 1 1 138 138 MET HG3 H 1 2.66 0.04 . 2 . . . . . . . . 6391 1 1499 . 1 1 139 139 PHE N N 15 127.76 0.40 . 1 . . . . . . . . 6391 1 1500 . 1 1 139 139 PHE H H 1 7.75 0.04 . 1 . . . . . . . . 6391 1 1501 . 1 1 139 139 PHE C C 13 175.48 0.30 . 1 . . . . . . . . 6391 1 1502 . 1 1 139 139 PHE CA C 13 57.84 0.30 . 1 . . . . . . . . 6391 1 1503 . 1 1 139 139 PHE HA H 1 5.26 0.04 . 1 . . . . . . . . 6391 1 1504 . 1 1 139 139 PHE CB C 13 40.96 0.30 . 1 . . . . . . . . 6391 1 1505 . 1 1 139 139 PHE HB3 H 1 3.24 0.04 . 1 . . . . . . . . 6391 1 1506 . 1 1 139 139 PHE HB2 H 1 4.09 0.04 . 1 . . . . . . . . 6391 1 1507 . 1 1 139 139 PHE CD1 C 13 133.21 0.30 . 3 . . . . . . . . 6391 1 1508 . 1 1 139 139 PHE HD1 H 1 7.57 0.04 . 3 . . . . . . . . 6391 1 1509 . 1 1 139 139 PHE CE1 C 13 131.22 0.30 . 3 . . . . . . . . 6391 1 1510 . 1 1 139 139 PHE HE1 H 1 7.36 0.04 . 3 . . . . . . . . 6391 1 1511 . 1 1 139 139 PHE CZ C 13 130.18 0.30 . 1 . . . . . . . . 6391 1 1512 . 1 1 139 139 PHE HZ H 1 7.43 0.04 . 1 . . . . . . . . 6391 1 1513 . 1 1 140 140 PRO C C 13 175.77 0.30 . 1 . . . . . . . . 6391 1 1514 . 1 1 140 140 PRO CA C 13 64.98 0.30 . 1 . . . . . . . . 6391 1 1515 . 1 1 140 140 PRO HA H 1 3.56 0.04 . 1 . . . . . . . . 6391 1 1516 . 1 1 140 140 PRO CB C 13 32.08 0.30 . 1 . . . . . . . . 6391 1 1517 . 1 1 140 140 PRO HB3 H 1 1.77 0.04 . 2 . . . . . . . . 6391 1 1518 . 1 1 140 140 PRO HB2 H 1 1.66 0.04 . 2 . . . . . . . . 6391 1 1519 . 1 1 140 140 PRO CG C 13 27.56 0.30 . 1 . . . . . . . . 6391 1 1520 . 1 1 140 140 PRO HG3 H 1 1.49 0.04 . 2 . . . . . . . . 6391 1 1521 . 1 1 141 141 THR N N 15 113.03 0.40 . 1 . . . . . . . . 6391 1 1522 . 1 1 141 141 THR H H 1 6.86 0.04 . 1 . . . . . . . . 6391 1 1523 . 1 1 141 141 THR CA C 13 60.20 0.30 . 1 . . . . . . . . 6391 1 1524 . 1 1 141 141 THR HA H 1 4.54 0.04 . 1 . . . . . . . . 6391 1 1525 . 1 1 141 141 THR CB C 13 71.44 0.30 . 1 . . . . . . . . 6391 1 1526 . 1 1 141 141 THR HB H 1 3.95 0.04 . 1 . . . . . . . . 6391 1 1527 . 1 1 141 141 THR CG2 C 13 21.63 0.30 . 1 . . . . . . . . 6391 1 1528 . 1 1 141 141 THR HG21 H 1 1.21 0.04 . 1 . . . . . . . . 6391 1 1529 . 1 1 141 141 THR HG22 H 1 1.21 0.04 . 1 . . . . . . . . 6391 1 1530 . 1 1 141 141 THR HG23 H 1 1.21 0.04 . 1 . . . . . . . . 6391 1 1531 . 1 1 142 142 TYR N N 15 126.87 0.40 . 1 . . . . . . . . 6391 1 1532 . 1 1 142 142 TYR H H 1 7.74 0.04 . 1 . . . . . . . . 6391 1 1533 . 1 1 142 142 TYR CD1 C 13 132.76 0.30 . 3 . . . . . . . . 6391 1 1534 . 1 1 142 142 TYR HD1 H 1 6.52 0.04 . 3 . . . . . . . . 6391 1 1535 . 1 1 142 142 TYR CE1 C 13 117.07 0.30 . 3 . . . . . . . . 6391 1 1536 . 1 1 142 142 TYR HE1 H 1 6.81 0.04 . 3 . . . . . . . . 6391 1 1537 . 1 1 143 143 LYS C C 13 173.38 0.30 . 1 . . . . . . . . 6391 1 1538 . 1 1 143 143 LYS CA C 13 55.23 0.30 . 1 . . . . . . . . 6391 1 1539 . 1 1 143 143 LYS HA H 1 3.84 0.04 . 1 . . . . . . . . 6391 1 1540 . 1 1 143 143 LYS CB C 13 34.81 0.30 . 1 . . . . . . . . 6391 1 1541 . 1 1 143 143 LYS HB3 H 1 1.59 0.04 . 2 . . . . . . . . 6391 1 1542 . 1 1 143 143 LYS CG C 13 23.95 0.30 . 1 . . . . . . . . 6391 1 1543 . 1 1 143 143 LYS HG3 H 1 1.25 0.04 . 2 . . . . . . . . 6391 1 1544 . 1 1 143 143 LYS CD C 13 28.87 0.30 . 1 . . . . . . . . 6391 1 1545 . 1 1 143 143 LYS HD3 H 1 1.62 0.04 . 2 . . . . . . . . 6391 1 1546 . 1 1 143 143 LYS CE C 13 41.78 0.30 . 1 . . . . . . . . 6391 1 1547 . 1 1 143 143 LYS HE3 H 1 2.90 0.04 . 2 . . . . . . . . 6391 1 1548 . 1 1 144 144 TYR N N 15 124.41 0.40 . 1 . . . . . . . . 6391 1 1549 . 1 1 144 144 TYR H H 1 8.46 0.04 . 1 . . . . . . . . 6391 1 1550 . 1 1 144 144 TYR C C 13 174.88 0.30 . 1 . . . . . . . . 6391 1 1551 . 1 1 144 144 TYR CA C 13 60.60 0.30 . 1 . . . . . . . . 6391 1 1552 . 1 1 144 144 TYR HA H 1 3.75 0.04 . 1 . . . . . . . . 6391 1 1553 . 1 1 144 144 TYR CB C 13 38.41 0.30 . 1 . . . . . . . . 6391 1 1554 . 1 1 144 144 TYR HB3 H 1 2.74 0.04 . 1 . . . . . . . . 6391 1 1555 . 1 1 144 144 TYR HB2 H 1 3.06 0.04 . 1 . . . . . . . . 6391 1 1556 . 1 1 144 144 TYR CD1 C 13 132.34 0.30 . 3 . . . . . . . . 6391 1 1557 . 1 1 144 144 TYR HD1 H 1 7.00 0.04 . 3 . . . . . . . . 6391 1 1558 . 1 1 144 144 TYR CE1 C 13 118.70 0.30 . 3 . . . . . . . . 6391 1 1559 . 1 1 144 144 TYR HE1 H 1 6.82 0.04 . 3 . . . . . . . . 6391 1 1560 . 1 1 145 145 VAL N N 15 125.02 0.40 . 1 . . . . . . . . 6391 1 1561 . 1 1 145 145 VAL H H 1 5.78 0.04 . 1 . . . . . . . . 6391 1 1562 . 1 1 145 145 VAL C C 13 172.11 0.30 . 1 . . . . . . . . 6391 1 1563 . 1 1 145 145 VAL CA C 13 59.28 0.30 . 1 . . . . . . . . 6391 1 1564 . 1 1 145 145 VAL HA H 1 3.95 0.04 . 1 . . . . . . . . 6391 1 1565 . 1 1 145 145 VAL CB C 13 34.91 0.30 . 1 . . . . . . . . 6391 1 1566 . 1 1 145 145 VAL HB H 1 1.93 0.04 . 1 . . . . . . . . 6391 1 1567 . 1 1 145 145 VAL CG1 C 13 21.34 0.30 . 1 . . . . . . . . 6391 1 1568 . 1 1 145 145 VAL HG11 H 1 0.91 0.04 . 2 . . . . . . . . 6391 1 1569 . 1 1 145 145 VAL HG12 H 1 0.91 0.04 . 2 . . . . . . . . 6391 1 1570 . 1 1 145 145 VAL HG13 H 1 0.91 0.04 . 2 . . . . . . . . 6391 1 1571 . 1 1 145 145 VAL CG2 C 13 19.48 0.30 . 1 . . . . . . . . 6391 1 1572 . 1 1 145 145 VAL HG21 H 1 0.88 0.04 . 2 . . . . . . . . 6391 1 1573 . 1 1 145 145 VAL HG22 H 1 0.88 0.04 . 2 . . . . . . . . 6391 1 1574 . 1 1 145 145 VAL HG23 H 1 0.88 0.04 . 2 . . . . . . . . 6391 1 1575 . 1 1 146 146 ASP N N 15 119.75 0.40 . 1 . . . . . . . . 6391 1 1576 . 1 1 146 146 ASP H H 1 7.86 0.04 . 1 . . . . . . . . 6391 1 1577 . 1 1 146 146 ASP C C 13 179.23 0.30 . 1 . . . . . . . . 6391 1 1578 . 1 1 146 146 ASP CA C 13 55.02 0.30 . 1 . . . . . . . . 6391 1 1579 . 1 1 146 146 ASP HA H 1 4.29 0.04 . 1 . . . . . . . . 6391 1 1580 . 1 1 146 146 ASP CB C 13 41.83 0.30 . 1 . . . . . . . . 6391 1 1581 . 1 1 146 146 ASP HB3 H 1 2.79 0.04 . 2 . . . . . . . . 6391 1 1582 . 1 1 147 147 ILE N N 15 125.08 0.40 . 1 . . . . . . . . 6391 1 1583 . 1 1 147 147 ILE H H 1 7.75 0.04 . 1 . . . . . . . . 6391 1 1584 . 1 1 147 147 ILE C C 13 177.43 0.30 . 1 . . . . . . . . 6391 1 1585 . 1 1 147 147 ILE CA C 13 64.37 0.30 . 1 . . . . . . . . 6391 1 1586 . 1 1 147 147 ILE HA H 1 3.99 0.04 . 1 . . . . . . . . 6391 1 1587 . 1 1 147 147 ILE CB C 13 37.77 0.30 . 1 . . . . . . . . 6391 1 1588 . 1 1 147 147 ILE HB H 1 2.10 0.04 . 1 . . . . . . . . 6391 1 1589 . 1 1 147 147 ILE CG1 C 13 26.65 0.30 . 1 . . . . . . . . 6391 1 1590 . 1 1 147 147 ILE HG13 H 1 1.44 0.04 . 2 . . . . . . . . 6391 1 1591 . 1 1 147 147 ILE CG2 C 13 18.62 0.30 . 1 . . . . . . . . 6391 1 1592 . 1 1 147 147 ILE HG21 H 1 1.24 0.04 . 1 . . . . . . . . 6391 1 1593 . 1 1 147 147 ILE HG22 H 1 1.24 0.04 . 1 . . . . . . . . 6391 1 1594 . 1 1 147 147 ILE HG23 H 1 1.24 0.04 . 1 . . . . . . . . 6391 1 1595 . 1 1 147 147 ILE CD1 C 13 13.83 0.30 . 1 . . . . . . . . 6391 1 1596 . 1 1 147 147 ILE HD11 H 1 0.92 0.04 . 1 . . . . . . . . 6391 1 1597 . 1 1 147 147 ILE HD12 H 1 0.92 0.04 . 1 . . . . . . . . 6391 1 1598 . 1 1 147 147 ILE HD13 H 1 0.92 0.04 . 1 . . . . . . . . 6391 1 1599 . 1 1 148 148 ASN N N 15 120.13 0.40 . 1 . . . . . . . . 6391 1 1600 . 1 1 148 148 ASN H H 1 8.63 0.04 . 1 . . . . . . . . 6391 1 1601 . 1 1 148 148 ASN C C 13 176.47 0.30 . 1 . . . . . . . . 6391 1 1602 . 1 1 148 148 ASN CA C 13 55.57 0.30 . 1 . . . . . . . . 6391 1 1603 . 1 1 148 148 ASN HA H 1 4.61 0.04 . 1 . . . . . . . . 6391 1 1604 . 1 1 148 148 ASN CB C 13 38.34 0.30 . 1 . . . . . . . . 6391 1 1605 . 1 1 148 148 ASN HB3 H 1 2.88 0.04 . 1 . . . . . . . . 6391 1 1606 . 1 1 148 148 ASN HB2 H 1 3.05 0.04 . 1 . . . . . . . . 6391 1 1607 . 1 1 148 148 ASN ND2 N 15 116.24 0.40 . 1 . . . . . . . . 6391 1 1608 . 1 1 148 148 ASN HD21 H 1 8.05 0.04 . 2 . . . . . . . . 6391 1 1609 . 1 1 148 148 ASN HD22 H 1 7.09 0.04 . 2 . . . . . . . . 6391 1 1610 . 1 1 149 149 THR N N 15 109.55 0.40 . 1 . . . . . . . . 6391 1 1611 . 1 1 149 149 THR H H 1 7.51 0.04 . 1 . . . . . . . . 6391 1 1612 . 1 1 149 149 THR C C 13 173.86 0.30 . 1 . . . . . . . . 6391 1 1613 . 1 1 149 149 THR CA C 13 60.61 0.30 . 1 . . . . . . . . 6391 1 1614 . 1 1 149 149 THR HA H 1 4.49 0.04 . 1 . . . . . . . . 6391 1 1615 . 1 1 149 149 THR CB C 13 69.20 0.30 . 1 . . . . . . . . 6391 1 1616 . 1 1 149 149 THR HB H 1 4.46 0.04 . 1 . . . . . . . . 6391 1 1617 . 1 1 149 149 THR CG2 C 13 21.41 0.30 . 1 . . . . . . . . 6391 1 1618 . 1 1 149 149 THR HG21 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 1619 . 1 1 149 149 THR HG22 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 1620 . 1 1 149 149 THR HG23 H 1 1.15 0.04 . 1 . . . . . . . . 6391 1 1621 . 1 1 150 150 PHE N N 15 124.30 0.40 . 1 . . . . . . . . 6391 1 1622 . 1 1 150 150 PHE H H 1 7.20 0.04 . 1 . . . . . . . . 6391 1 1623 . 1 1 150 150 PHE C C 13 174.54 0.30 . 1 . . . . . . . . 6391 1 1624 . 1 1 150 150 PHE CA C 13 59.87 0.30 . 1 . . . . . . . . 6391 1 1625 . 1 1 150 150 PHE HA H 1 4.25 0.04 . 1 . . . . . . . . 6391 1 1626 . 1 1 150 150 PHE CB C 13 39.86 0.30 . 1 . . . . . . . . 6391 1 1627 . 1 1 150 150 PHE HB3 H 1 3.22 0.04 . 2 . . . . . . . . 6391 1 1628 . 1 1 150 150 PHE HB2 H 1 2.94 0.04 . 2 . . . . . . . . 6391 1 1629 . 1 1 150 150 PHE CD1 C 13 131.19 0.30 . 3 . . . . . . . . 6391 1 1630 . 1 1 150 150 PHE HD1 H 1 7.16 0.04 . 3 . . . . . . . . 6391 1 1631 . 1 1 150 150 PHE CE1 C 13 131.17 0.30 . 3 . . . . . . . . 6391 1 1632 . 1 1 150 150 PHE HE1 H 1 7.35 0.04 . 3 . . . . . . . . 6391 1 1633 . 1 1 150 150 PHE CZ C 13 128.45 0.30 . 1 . . . . . . . . 6391 1 1634 . 1 1 150 150 PHE HZ H 1 6.89 0.04 . 1 . . . . . . . . 6391 1 1635 . 1 1 151 151 ARG N N 15 127.41 0.40 . 1 . . . . . . . . 6391 1 1636 . 1 1 151 151 ARG H H 1 7.24 0.04 . 1 . . . . . . . . 6391 1 1637 . 1 1 151 151 ARG C C 13 174.51 0.30 . 1 . . . . . . . . 6391 1 1638 . 1 1 151 151 ARG CA C 13 54.24 0.30 . 1 . . . . . . . . 6391 1 1639 . 1 1 151 151 ARG HA H 1 3.96 0.04 . 1 . . . . . . . . 6391 1 1640 . 1 1 151 151 ARG CB C 13 33.19 0.30 . 1 . . . . . . . . 6391 1 1641 . 1 1 151 151 ARG HB3 H 1 1.71 0.04 . 1 . . . . . . . . 6391 1 1642 . 1 1 151 151 ARG HB2 H 1 1.53 0.04 . 1 . . . . . . . . 6391 1 1643 . 1 1 151 151 ARG CG C 13 26.09 0.30 . 1 . . . . . . . . 6391 1 1644 . 1 1 151 151 ARG HG3 H 1 1.54 0.04 . 2 . . . . . . . . 6391 1 1645 . 1 1 151 151 ARG HG2 H 1 1.46 0.04 . 2 . . . . . . . . 6391 1 1646 . 1 1 151 151 ARG CD C 13 43.22 0.30 . 1 . . . . . . . . 6391 1 1647 . 1 1 151 151 ARG HD3 H 1 3.19 0.04 . 2 . . . . . . . . 6391 1 1648 . 1 1 151 151 ARG HD2 H 1 3.12 0.04 . 2 . . . . . . . . 6391 1 1649 . 1 1 151 151 ARG NE N 15 86.74 0.40 . 1 . . . . . . . . 6391 1 1650 . 1 1 151 151 ARG HE H 1 6.98 0.04 . 1 . . . . . . . . 6391 1 1651 . 1 1 152 152 LEU N N 15 122.26 0.40 . 1 . . . . . . . . 6391 1 1652 . 1 1 152 152 LEU H H 1 8.15 0.04 . 1 . . . . . . . . 6391 1 1653 . 1 1 152 152 LEU C C 13 177.16 0.30 . 1 . . . . . . . . 6391 1 1654 . 1 1 152 152 LEU CA C 13 54.97 0.30 . 1 . . . . . . . . 6391 1 1655 . 1 1 152 152 LEU HA H 1 3.95 0.04 . 1 . . . . . . . . 6391 1 1656 . 1 1 152 152 LEU CB C 13 42.88 0.30 . 1 . . . . . . . . 6391 1 1657 . 1 1 152 152 LEU HB3 H 1 1.50 0.04 . 2 . . . . . . . . 6391 1 1658 . 1 1 152 152 LEU HB2 H 1 1.44 0.04 . 2 . . . . . . . . 6391 1 1659 . 1 1 152 152 LEU CG C 13 26.10 0.30 . 1 . . . . . . . . 6391 1 1660 . 1 1 152 152 LEU HG H 1 1.37 0.04 . 1 . . . . . . . . 6391 1 1661 . 1 1 152 152 LEU CD1 C 13 26.77 0.30 . 1 . . . . . . . . 6391 1 1662 . 1 1 152 152 LEU HD11 H 1 0.38 0.04 . 2 . . . . . . . . 6391 1 1663 . 1 1 152 152 LEU HD12 H 1 0.38 0.04 . 2 . . . . . . . . 6391 1 1664 . 1 1 152 152 LEU HD13 H 1 0.38 0.04 . 2 . . . . . . . . 6391 1 1665 . 1 1 152 152 LEU CD2 C 13 22.49 0.30 . 1 . . . . . . . . 6391 1 1666 . 1 1 152 152 LEU HD21 H 1 0.16 0.04 . 2 . . . . . . . . 6391 1 1667 . 1 1 152 152 LEU HD22 H 1 0.16 0.04 . 2 . . . . . . . . 6391 1 1668 . 1 1 152 152 LEU HD23 H 1 0.16 0.04 . 2 . . . . . . . . 6391 1 1669 . 1 1 153 153 SER N N 15 119.89 0.40 . 1 . . . . . . . . 6391 1 1670 . 1 1 153 153 SER H H 1 9.18 0.04 . 1 . . . . . . . . 6391 1 1671 . 1 1 153 153 SER C C 13 174.88 0.30 . 1 . . . . . . . . 6391 1 1672 . 1 1 153 153 SER CA C 13 57.59 0.30 . 1 . . . . . . . . 6391 1 1673 . 1 1 153 153 SER HA H 1 4.55 0.04 . 1 . . . . . . . . 6391 1 1674 . 1 1 153 153 SER CB C 13 65.89 0.30 . 1 . . . . . . . . 6391 1 1675 . 1 1 153 153 SER HB3 H 1 4.27 0.04 . 2 . . . . . . . . 6391 1 1676 . 1 1 153 153 SER HB2 H 1 3.90 0.04 . 2 . . . . . . . . 6391 1 1677 . 1 1 154 154 ALA N N 15 124.91 0.40 . 1 . . . . . . . . 6391 1 1678 . 1 1 154 154 ALA H H 1 8.90 0.04 . 1 . . . . . . . . 6391 1 1679 . 1 1 154 154 ALA C C 13 180.27 0.30 . 1 . . . . . . . . 6391 1 1680 . 1 1 154 154 ALA CA C 13 55.49 0.30 . 1 . . . . . . . . 6391 1 1681 . 1 1 154 154 ALA HA H 1 4.12 0.04 . 1 . . . . . . . . 6391 1 1682 . 1 1 154 154 ALA CB C 13 17.77 0.30 . 1 . . . . . . . . 6391 1 1683 . 1 1 154 154 ALA HB1 H 1 1.52 0.04 . 1 . . . . . . . . 6391 1 1684 . 1 1 154 154 ALA HB2 H 1 1.52 0.04 . 1 . . . . . . . . 6391 1 1685 . 1 1 154 154 ALA HB3 H 1 1.52 0.04 . 1 . . . . . . . . 6391 1 1686 . 1 1 155 155 ASP N N 15 118.87 0.40 . 1 . . . . . . . . 6391 1 1687 . 1 1 155 155 ASP H H 1 8.36 0.04 . 1 . . . . . . . . 6391 1 1688 . 1 1 155 155 ASP C C 13 178.72 0.30 . 1 . . . . . . . . 6391 1 1689 . 1 1 155 155 ASP CA C 13 58.08 0.30 . 1 . . . . . . . . 6391 1 1690 . 1 1 155 155 ASP HA H 1 4.48 0.04 . 1 . . . . . . . . 6391 1 1691 . 1 1 155 155 ASP CB C 13 43.05 0.30 . 1 . . . . . . . . 6391 1 1692 . 1 1 155 155 ASP HB3 H 1 2.88 0.04 . 1 . . . . . . . . 6391 1 1693 . 1 1 155 155 ASP HB2 H 1 2.58 0.04 . 1 . . . . . . . . 6391 1 1694 . 1 1 156 156 ASP N N 15 120.77 0.40 . 1 . . . . . . . . 6391 1 1695 . 1 1 156 156 ASP H H 1 7.53 0.04 . 1 . . . . . . . . 6391 1 1696 . 1 1 156 156 ASP C C 13 177.78 0.30 . 1 . . . . . . . . 6391 1 1697 . 1 1 156 156 ASP CA C 13 57.83 0.30 . 1 . . . . . . . . 6391 1 1698 . 1 1 156 156 ASP HA H 1 4.72 0.04 . 1 . . . . . . . . 6391 1 1699 . 1 1 156 156 ASP CB C 13 44.01 0.30 . 1 . . . . . . . . 6391 1 1700 . 1 1 156 156 ASP HB3 H 1 3.17 0.04 . 2 . . . . . . . . 6391 1 1701 . 1 1 156 156 ASP HB2 H 1 2.79 0.04 . 2 . . . . . . . . 6391 1 1702 . 1 1 157 157 ILE N N 15 119.85 0.40 . 1 . . . . . . . . 6391 1 1703 . 1 1 157 157 ILE H H 1 7.89 0.04 . 1 . . . . . . . . 6391 1 1704 . 1 1 157 157 ILE C C 13 177.48 0.30 . 1 . . . . . . . . 6391 1 1705 . 1 1 157 157 ILE CA C 13 65.66 0.30 . 1 . . . . . . . . 6391 1 1706 . 1 1 157 157 ILE HA H 1 3.70 0.04 . 1 . . . . . . . . 6391 1 1707 . 1 1 157 157 ILE CB C 13 38.38 0.30 . 1 . . . . . . . . 6391 1 1708 . 1 1 157 157 ILE HB H 1 1.79 0.04 . 1 . . . . . . . . 6391 1 1709 . 1 1 157 157 ILE CG1 C 13 30.73 0.30 . 1 . . . . . . . . 6391 1 1710 . 1 1 157 157 ILE HG13 H 1 1.86 0.04 . 2 . . . . . . . . 6391 1 1711 . 1 1 157 157 ILE HG12 H 1 0.85 0.04 . 2 . . . . . . . . 6391 1 1712 . 1 1 157 157 ILE CG2 C 13 16.84 0.30 . 1 . . . . . . . . 6391 1 1713 . 1 1 157 157 ILE HG21 H 1 0.95 0.04 . 1 . . . . . . . . 6391 1 1714 . 1 1 157 157 ILE HG22 H 1 0.95 0.04 . 1 . . . . . . . . 6391 1 1715 . 1 1 157 157 ILE HG23 H 1 0.95 0.04 . 1 . . . . . . . . 6391 1 1716 . 1 1 157 157 ILE CD1 C 13 12.92 0.30 . 1 . . . . . . . . 6391 1 1717 . 1 1 157 157 ILE HD11 H 1 0.83 0.04 . 1 . . . . . . . . 6391 1 1718 . 1 1 157 157 ILE HD12 H 1 0.83 0.04 . 1 . . . . . . . . 6391 1 1719 . 1 1 157 157 ILE HD13 H 1 0.83 0.04 . 1 . . . . . . . . 6391 1 1720 . 1 1 158 158 ARG N N 15 120.44 0.40 . 1 . . . . . . . . 6391 1 1721 . 1 1 158 158 ARG H H 1 8.52 0.04 . 1 . . . . . . . . 6391 1 1722 . 1 1 158 158 ARG C C 13 180.37 0.30 . 1 . . . . . . . . 6391 1 1723 . 1 1 158 158 ARG CA C 13 59.33 0.30 . 1 . . . . . . . . 6391 1 1724 . 1 1 158 158 ARG HA H 1 4.16 0.04 . 1 . . . . . . . . 6391 1 1725 . 1 1 158 158 ARG CB C 13 30.06 0.30 . 1 . . . . . . . . 6391 1 1726 . 1 1 158 158 ARG HB3 H 1 1.95 0.04 . 1 . . . . . . . . 6391 1 1727 . 1 1 158 158 ARG HB2 H 1 2.04 0.04 . 1 . . . . . . . . 6391 1 1728 . 1 1 158 158 ARG CG C 13 26.98 0.30 . 1 . . . . . . . . 6391 1 1729 . 1 1 158 158 ARG HG3 H 1 1.84 0.04 . 2 . . . . . . . . 6391 1 1730 . 1 1 158 158 ARG HG2 H 1 1.70 0.04 . 2 . . . . . . . . 6391 1 1731 . 1 1 158 158 ARG CD C 13 43.16 0.30 . 1 . . . . . . . . 6391 1 1732 . 1 1 158 158 ARG HD3 H 1 3.28 0.04 . 2 . . . . . . . . 6391 1 1733 . 1 1 158 158 ARG NE N 15 85.60 0.40 . 1 . . . . . . . . 6391 1 1734 . 1 1 158 158 ARG HE H 1 7.30 0.04 . 1 . . . . . . . . 6391 1 1735 . 1 1 159 159 GLY N N 15 108.29 0.40 . 1 . . . . . . . . 6391 1 1736 . 1 1 159 159 GLY H H 1 8.45 0.04 . 1 . . . . . . . . 6391 1 1737 . 1 1 159 159 GLY C C 13 176.78 0.30 . 1 . . . . . . . . 6391 1 1738 . 1 1 159 159 GLY CA C 13 47.35 0.30 . 1 . . . . . . . . 6391 1 1739 . 1 1 159 159 GLY HA3 H 1 3.78 0.04 . 2 . . . . . . . . 6391 1 1740 . 1 1 160 160 ILE N N 15 124.41 0.40 . 1 . . . . . . . . 6391 1 1741 . 1 1 160 160 ILE H H 1 8.56 0.04 . 1 . . . . . . . . 6391 1 1742 . 1 1 160 160 ILE C C 13 177.87 0.30 . 1 . . . . . . . . 6391 1 1743 . 1 1 160 160 ILE CA C 13 61.12 0.30 . 1 . . . . . . . . 6391 1 1744 . 1 1 160 160 ILE HA H 1 4.52 0.04 . 1 . . . . . . . . 6391 1 1745 . 1 1 160 160 ILE CB C 13 38.55 0.30 . 1 . . . . . . . . 6391 1 1746 . 1 1 160 160 ILE HB H 1 2.14 0.04 . 1 . . . . . . . . 6391 1 1747 . 1 1 160 160 ILE CG1 C 13 30.88 0.30 . 1 . . . . . . . . 6391 1 1748 . 1 1 160 160 ILE HG13 H 1 1.85 0.04 . 2 . . . . . . . . 6391 1 1749 . 1 1 160 160 ILE HG12 H 1 1.61 0.04 . 2 . . . . . . . . 6391 1 1750 . 1 1 160 160 ILE CG2 C 13 20.51 0.30 . 1 . . . . . . . . 6391 1 1751 . 1 1 160 160 ILE HG21 H 1 1.61 0.04 . 1 . . . . . . . . 6391 1 1752 . 1 1 160 160 ILE HG22 H 1 1.61 0.04 . 1 . . . . . . . . 6391 1 1753 . 1 1 160 160 ILE HG23 H 1 1.61 0.04 . 1 . . . . . . . . 6391 1 1754 . 1 1 160 160 ILE CD1 C 13 14.94 0.30 . 1 . . . . . . . . 6391 1 1755 . 1 1 160 160 ILE HD11 H 1 0.90 0.04 . 1 . . . . . . . . 6391 1 1756 . 1 1 160 160 ILE HD12 H 1 0.90 0.04 . 1 . . . . . . . . 6391 1 1757 . 1 1 160 160 ILE HD13 H 1 0.90 0.04 . 1 . . . . . . . . 6391 1 1758 . 1 1 161 161 GLN N N 15 124.92 0.40 . 1 . . . . . . . . 6391 1 1759 . 1 1 161 161 GLN H H 1 8.69 0.04 . 1 . . . . . . . . 6391 1 1760 . 1 1 161 161 GLN C C 13 179.24 0.30 . 1 . . . . . . . . 6391 1 1761 . 1 1 161 161 GLN CA C 13 58.67 0.30 . 1 . . . . . . . . 6391 1 1762 . 1 1 161 161 GLN HA H 1 4.47 0.04 . 1 . . . . . . . . 6391 1 1763 . 1 1 161 161 GLN CB C 13 27.05 0.30 . 1 . . . . . . . . 6391 1 1764 . 1 1 161 161 GLN HB3 H 1 2.03 0.04 . 1 . . . . . . . . 6391 1 1765 . 1 1 161 161 GLN HB2 H 1 2.30 0.04 . 1 . . . . . . . . 6391 1 1766 . 1 1 161 161 GLN CG C 13 34.94 0.30 . 1 . . . . . . . . 6391 1 1767 . 1 1 161 161 GLN HG3 H 1 2.99 0.04 . 2 . . . . . . . . 6391 1 1768 . 1 1 161 161 GLN HG2 H 1 2.78 0.04 . 2 . . . . . . . . 6391 1 1769 . 1 1 161 161 GLN NE2 N 15 111.29 0.40 . 1 . . . . . . . . 6391 1 1770 . 1 1 161 161 GLN HE21 H 1 7.96 0.04 . 2 . . . . . . . . 6391 1 1771 . 1 1 161 161 GLN HE22 H 1 6.68 0.04 . 2 . . . . . . . . 6391 1 1772 . 1 1 162 162 SER N N 15 116.71 0.40 . 1 . . . . . . . . 6391 1 1773 . 1 1 162 162 SER H H 1 7.99 0.04 . 1 . . . . . . . . 6391 1 1774 . 1 1 162 162 SER C C 13 174.97 0.30 . 1 . . . . . . . . 6391 1 1775 . 1 1 162 162 SER CA C 13 61.30 0.30 . 1 . . . . . . . . 6391 1 1776 . 1 1 162 162 SER HA H 1 4.30 0.04 . 1 . . . . . . . . 6391 1 1777 . 1 1 162 162 SER CB C 13 62.88 0.30 . 1 . . . . . . . . 6391 1 1778 . 1 1 162 162 SER HB3 H 1 4.07 0.04 . 2 . . . . . . . . 6391 1 1779 . 1 1 162 162 SER HB2 H 1 4.03 0.04 . 2 . . . . . . . . 6391 1 1780 . 1 1 163 163 LEU N N 15 120.17 0.40 . 1 . . . . . . . . 6391 1 1781 . 1 1 163 163 LEU H H 1 6.96 0.04 . 1 . . . . . . . . 6391 1 1782 . 1 1 163 163 LEU C C 13 177.58 0.30 . 1 . . . . . . . . 6391 1 1783 . 1 1 163 163 LEU CA C 13 56.44 0.30 . 1 . . . . . . . . 6391 1 1784 . 1 1 163 163 LEU HA H 1 4.19 0.04 . 1 . . . . . . . . 6391 1 1785 . 1 1 163 163 LEU CB C 13 43.65 0.30 . 1 . . . . . . . . 6391 1 1786 . 1 1 163 163 LEU HB3 H 1 0.85 0.04 . 1 . . . . . . . . 6391 1 1787 . 1 1 163 163 LEU HB2 H 1 1.85 0.04 . 1 . . . . . . . . 6391 1 1788 . 1 1 163 163 LEU CG C 13 26.49 0.30 . 1 . . . . . . . . 6391 1 1789 . 1 1 163 163 LEU HG H 1 1.74 0.04 . 1 . . . . . . . . 6391 1 1790 . 1 1 163 163 LEU CD1 C 13 25.49 0.30 . 1 . . . . . . . . 6391 1 1791 . 1 1 163 163 LEU HD11 H 1 0.81 0.04 . 2 . . . . . . . . 6391 1 1792 . 1 1 163 163 LEU HD12 H 1 0.81 0.04 . 2 . . . . . . . . 6391 1 1793 . 1 1 163 163 LEU HD13 H 1 0.81 0.04 . 2 . . . . . . . . 6391 1 1794 . 1 1 163 163 LEU CD2 C 13 21.84 0.30 . 1 . . . . . . . . 6391 1 1795 . 1 1 163 163 LEU HD21 H 1 0.68 0.04 . 2 . . . . . . . . 6391 1 1796 . 1 1 163 163 LEU HD22 H 1 0.68 0.04 . 2 . . . . . . . . 6391 1 1797 . 1 1 163 163 LEU HD23 H 1 0.68 0.04 . 2 . . . . . . . . 6391 1 1798 . 1 1 164 164 TYR N N 15 115.67 0.40 . 1 . . . . . . . . 6391 1 1799 . 1 1 164 164 TYR H H 1 7.74 0.04 . 1 . . . . . . . . 6391 1 1800 . 1 1 164 164 TYR C C 13 174.50 0.30 . 1 . . . . . . . . 6391 1 1801 . 1 1 164 164 TYR CA C 13 59.00 0.30 . 1 . . . . . . . . 6391 1 1802 . 1 1 164 164 TYR HA H 1 4.72 0.04 . 1 . . . . . . . . 6391 1 1803 . 1 1 164 164 TYR CB C 13 40.47 0.30 . 1 . . . . . . . . 6391 1 1804 . 1 1 164 164 TYR HB3 H 1 3.10 0.04 . 2 . . . . . . . . 6391 1 1805 . 1 1 164 164 TYR HB2 H 1 2.81 0.04 . 2 . . . . . . . . 6391 1 1806 . 1 1 164 164 TYR CD1 C 13 133.94 0.30 . 3 . . . . . . . . 6391 1 1807 . 1 1 164 164 TYR HD1 H 1 7.32 0.04 . 3 . . . . . . . . 6391 1 1808 . 1 1 165 165 GLY N N 15 116.89 0.40 . 1 . . . . . . . . 6391 1 1809 . 1 1 165 165 GLY H H 1 8.15 0.04 . 1 . . . . . . . . 6391 1 1810 . 1 1 165 165 GLY C C 13 178.27 0.30 . 1 . . . . . . . . 6391 1 1811 . 1 1 165 165 GLY CA C 13 46.08 0.30 . 1 . . . . . . . . 6391 1 1812 . 1 1 165 165 GLY HA3 H 1 3.88 0.04 . 2 . . . . . . . . 6391 1 stop_ save_