data_17748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17748 _Entry.Title ; Solution NMR Insights into Docking Interactions Involving Inactive ERK2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-29 _Entry.Accession_date 2011-06-29 _Entry.Last_release_date 2011-07-18 _Entry.Original_release_date 2011-07-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Partial assignment of inactive ERK2 with no ligands' _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 Andrea Piserchio . . . 17748 2 Ranajeet Ghose . . . 17748 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'The City College of New York' . 17748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 569 17748 '15N chemical shifts' 186 17748 '1H chemical shifts' 186 17748 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 . . 2011-07-18 2011-06-29 original author . 17748 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17748 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21449613 _Citation.Full_citation . _Citation.Title 'Solution NMR Insights into Docking Interactions Involving Inactive ERK2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 50 _Citation.Journal_issue 18 _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 3660 _Citation.Page_last 3672 _Citation.Year 2011 _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 Andrea Piserchio . . . 17748 1 2 Mangalika Warthaka . . . 17748 1 3 Ashwini Devkota . K. . 17748 1 4 Tamer Kaoud . S. . 17748 1 5 Sunbae Lee . . . 17748 1 6 Olga Abramczyk . . . 17748 1 7 Pengyu Ren . . . 17748 1 8 Kevin Dalby . N. . 17748 1 9 Ranajeet Ghose . . . 17748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17748 _Assembly.ID 1 _Assembly.Name ERK2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 ERK2 1 $ERK2 A . yes native no no . . . 17748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERK2 _Entity.Sf_category entity _Entity.Sf_framecode ERK2 _Entity.Entry_ID 17748 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ERK2 _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 ; GSHMAAAAAAGPEMVRGQVF DVGPRYTNLSYIGEGAYGMV CSAYDNLNKVRVAIKKISPF EHQTYCQRTLREIKILLRFR HENIIGINDIIRAPTIEQMK DVYIVQDLMETDLYKLLKTQ HLSNDHICYFLYQILRGLKY IHSANVLHRDLKPSNLLLNT TCDLKICDFGLARVADPDHD HTGFLTEYVATRWYRAPEIM LNSKGYTKSIDIWSVGCILA EMLSNRPIFPGKHYLDQLNH ILGILGSPSQEDLNCIINLK ARNYLLSLPHKNKVPWNRLF PNADSKALDLLDKMLTFNPH KRIEVEQALAHPYLEQYYDP SDEPIAEAPFKFDMELDDLP KEKLKELIFEETARFQPGYR S ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 361 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ERK . "Structure Of Signal-Regulated Kinase" . . . . . 99.45 364 100.00 100.00 0.00e+00 . . . . 17748 1 2 no PDB 1GOL . "Coordinates Of Rat Map Kinase Erk2 With An Arginine Mutation At Position 52" . . . . . 99.45 364 99.72 100.00 0.00e+00 . . . . 17748 1 3 no PDB 1PME . "Structure Of Penta Mutant Human Erk2 Map Kinase Complexed With A Specific Inhibitor Of Human P38 Map Kinase" . . . . . 100.55 380 97.52 98.07 0.00e+00 . . . . 17748 1 4 no PDB 1TVO . "The Structure Of Erk2 In Complex With A Small Molecule Inhibitor" . . . . . 98.89 368 99.44 99.72 0.00e+00 . . . . 17748 1 5 no PDB 1WZY . "Crystal Structure Of Human Erk2 Complexed With A Pyrazolopyridazine Derivative" . . . . . 98.89 368 99.44 99.72 0.00e+00 . . . . 17748 1 6 no PDB 2ERK . "Phosphorylated Map Kinase Erk2" . . . . . 99.45 365 99.44 99.44 0.00e+00 . . . . 17748 1 7 no PDB 2FYS . "Crystal Structure Of Erk2 Complex With Kim Peptide Derived From Mkp3" . . . . . 99.45 364 100.00 100.00 0.00e+00 . . . . 17748 1 8 no PDB 2GPH . "Docking Motif Interactions In The Map Kinase Erk2" . . . . . 99.45 364 99.72 99.72 0.00e+00 . . . . 17748 1 9 no PDB 2OJG . "Crystal Structure Of Erk2 In Complex With N,n-dimethyl-4-(4- Phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide" . . . . . 100.55 380 99.17 99.45 0.00e+00 . . . . 17748 1 10 no PDB 2OJI . "Crystal Structure Of Erk2 In Complex With N-Benzyl-4-(4-(3- Chlorophenyl)-1h-Pyrazol-3-Yl)-1h-Pyrrole-2-Carboxamide" . . . . . 100.55 380 99.17 99.45 0.00e+00 . . . . 17748 1 11 no PDB 2OJJ . "Crystal Structure Of Erk2 In Complex With (S)-N-(1-(3- Chloro-4-Fluorophenyl)-2-Hydroxyethyl)-4-(4-(3- Chlorophenyl)-1h-Pyrazol" . . . . . 100.55 380 99.17 99.45 0.00e+00 . . . . 17748 1 12 no PDB 2Y9Q . "Crystal Structure Of Human Erk2 Complexed With A Mapk Docking Peptide" . . . . . 98.89 362 99.44 99.72 0.00e+00 . . . . 17748 1 13 no PDB 2Z7L . "Unphosphorylated Mitogen Activated Protein Kinase Erk2 In Complex With (4-{[5-Carbamoyl-4-(3-Methylanilino)pyrimidin 2-Yl]amino" . . . . . 99.45 366 100.00 100.00 0.00e+00 . . . . 17748 1 14 no PDB 3C9W . "Crystal Structure Of Erk-2 With Hypothemycin Covalently Bound" . . . . . 98.89 357 100.00 100.00 0.00e+00 . . . . 17748 1 15 no PDB 3ERK . "The Complex Structure Of The Map Kinase Erk2SB220025" . . . . . 99.45 364 100.00 100.00 0.00e+00 . . . . 17748 1 16 no PDB 3I5Z . "Crystal Structure Of Erk2 Bound To (S)-N-(2-Hydroxy-1-Phenylethyl)-4- (5-Methyl-2-(Phenylamino)pyrimidin-4-Yl)-1h-Pyrrole-2-Car" . . . . . 100.55 380 99.17 99.45 0.00e+00 . . . . 17748 1 17 no PDB 3I60 . "Crystal Structure Of Erk2 Bound To (s)-4-(2-(2-chlorophenylamino)-5- Methylpyrimidin-4-yl)-n-(2-hydroxy-1-phenylethyl)-1h-pyrro" . . . . . 100.55 380 99.17 99.45 0.00e+00 . . . . 17748 1 18 no PDB 3O71 . "Crystal Structure Of Erk2DCC PEPTIDE COMPLEX" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 19 no PDB 3QYW . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 99.45 364 99.72 99.72 0.00e+00 . . . . 17748 1 20 no PDB 3QYZ . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 99.45 364 99.72 99.72 0.00e+00 . . . . 17748 1 21 no PDB 3R63 . "Structure Of Erk2 (Spe) Mutant (S246e)" . . . . . 99.17 358 99.72 99.72 0.00e+00 . . . . 17748 1 22 no PDB 3SA0 . "Complex Of Erk2 With Norathyriol" . . . . . 98.89 360 98.60 98.88 0.00e+00 . . . . 17748 1 23 no PDB 3TEI . "Crystal Structure Of Human Erk2 Complexed With A Mapk Docking Peptide" . . . . . 98.89 362 98.88 99.16 0.00e+00 . . . . 17748 1 24 no PDB 3W55 . "The Structure Of Erk2 In Complex With Fr148083" . . . . . 98.89 368 99.44 99.72 0.00e+00 . . . . 17748 1 25 no PDB 3ZU7 . "Crystal Structure Of A Designed Selected Ankyrin Repeat Protein In Complex With The Map Kinase Erk2" . . . . . 99.45 365 99.44 99.44 0.00e+00 . . . . 17748 1 26 no PDB 3ZUV . "Crystal Structure Of A Designed Selected Ankyrin Repeat Protein In Complex With The Phosphorylated Map Kinase Erk2" . . . . . 99.45 364 98.89 98.89 0.00e+00 . . . . 17748 1 27 no PDB 4ERK . "The Complex Structure Of The Map Kinase Erk2OLOMOUCINE" . . . . . 99.45 364 100.00 100.00 0.00e+00 . . . . 17748 1 28 no PDB 4FMQ . "Crystal Structure Of Human Erk2 Complexed With A Mapk Docking Peptide" . . . . . 98.89 362 99.44 99.72 0.00e+00 . . . . 17748 1 29 no PDB 4FUX . "Crystal Structure Of The Erk2 Complexed With E75" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 30 no PDB 4FUY . "Crystal Structure Of The Erk2 Complexed With Ek2" . . . . . 98.89 360 98.60 98.88 0.00e+00 . . . . 17748 1 31 no PDB 4FV0 . "Crystal Structure Of The Erk2 Complexed With Ek3" . . . . . 98.89 360 98.60 98.88 0.00e+00 . . . . 17748 1 32 no PDB 4FV1 . "Crystal Structure Of The Erk2 Complexed With Ek4" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 33 no PDB 4FV2 . "Crystal Structure Of The Erk2 Complexed With Ek5" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 34 no PDB 4FV3 . "Crystal Structure Of The Erk2 Complexed With Ek6" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 35 no PDB 4FV4 . "Crystal Structure Of The Erk2 Complexed With Ek7" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 36 no PDB 4FV5 . "Crystal Structure Of The Erk2 Complexed With Ek9" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 37 no PDB 4FV6 . "Crystal Structure Of The Erk2 Complexed With E57" . . . . . 98.89 360 99.44 99.72 0.00e+00 . . . . 17748 1 38 no PDB 4FV7 . "Crystal Structure Of The Erk2 Complexed With E94" . . . . . 98.89 360 98.88 99.16 0.00e+00 . . . . 17748 1 39 no PDB 4FV8 . "Crystal Structure Of The Erk2 Complexed With E63" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 40 no PDB 4FV9 . "Crystal Structure Of The Erk2 Complexed With E71" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 41 no PDB 4G6N . "Crystal Structure Of The Erk2" . . . . . 98.89 360 99.16 99.44 0.00e+00 . . . . 17748 1 42 no PDB 4G6O . "Crystal Structure Of The Erk2" . . . . . 98.89 360 98.88 99.16 0.00e+00 . . . . 17748 1 43 no PDB 4GSB . "Monoclinic Crystal Form Of The Apo-Erk2" . . . . . 99.45 364 99.44 99.44 0.00e+00 . . . . 17748 1 44 no PDB 4GT3 . "Atp-Bound Form Of The Erk2 Kinase" . . . . . 99.45 364 99.72 99.72 0.00e+00 . . . . 17748 1 45 no PDB 4GVA . "Adp-Bound Form Of The Erk2 Kinase" . . . . . 99.45 364 99.72 99.72 0.00e+00 . . . . 17748 1 46 no PDB 4H3P . "Crystal Structure Of Human Erk2 Complexed With A Mapk Docking Peptide" . . . . . 98.89 362 98.88 99.16 0.00e+00 . . . . 17748 1 47 no PDB 4H3Q . "Crystal Structure Of Human Erk2 Complexed With A Mapk Docking Peptide" . . . . . 98.89 362 98.32 98.60 0.00e+00 . . . . 17748 1 48 no PDB 4I5H . "Crystal Structure Of A Double Mutant Rat Erk2 Complexed With A Type Ii Quinazoline Inhibitor" . . . . . 98.89 359 99.44 99.44 0.00e+00 . . . . 17748 1 49 no PDB 4IZ5 . "Structure Of The Complex Between Erk2 Phosphomimetic Mutant And Pea-15" . . . . . 98.61 356 98.31 98.60 0.00e+00 . . . . 17748 1 50 no PDB 4IZ7 . "Structure Of Non-phosphorylated Erk2 Bound To The Pea-15 Death Effector Domain" . . . . . 98.61 356 98.60 98.88 0.00e+00 . . . . 17748 1 51 no PDB 4IZA . "Structure Of Dually Phosphorylated Erk2 Bound To The Pea-15 Death Effector Domain" . . . . . 98.61 356 98.03 98.31 0.00e+00 . . . . 17748 1 52 no PDB 4N0S . "Complex Of Erk2 With Caffeic Acid" . . . . . 98.89 360 98.32 98.60 0.00e+00 . . . . 17748 1 53 no PDB 4N4S . "A Double Mutant Rat Erk2 In Complex With A Pyrazolo[3,4-d]pyrimidine Inhibitor" . . . . . 98.89 359 99.44 99.44 0.00e+00 . . . . 17748 1 54 no PDB 4NIF . "Heterodimeric Structure Of Erk2 And Rsk1" . . . . . 98.89 362 99.44 99.72 0.00e+00 . . . . 17748 1 55 no PDB 4O6E . "Discovery Of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors Of Erk2" . . . . . 99.45 368 97.21 97.77 0.00e+00 . . . . 17748 1 56 no PDB 4QP1 . "Crystal Structure Of Erk2 In Complex With N-cyclohexyl-9h-purin-6- Amine" . . . . . 100.00 369 98.89 99.17 0.00e+00 . . . . 17748 1 57 no PDB 4QP2 . "Crystal Structure Of Erks In Complex With 5-chlorobenzo[d]oxazol-2- Amine" . . . . . 100.00 369 98.89 99.17 0.00e+00 . . . . 17748 1 58 no PDB 4QP3 . "Crystal Structure Of Erk2 In Complex With (s)-2-((9h-purin-6-yl) Amino)-3-phenylpropan-1-ol" . . . . . 100.00 369 98.89 99.17 0.00e+00 . . . . 17748 1 59 no PDB 4QP4 . "Crystal Structure Of Erk2 In Complex With N-cyclohexyl-9h-purin-6- Amine" . . . . . 100.00 369 99.17 99.45 0.00e+00 . . . . 17748 1 60 no PDB 4QP6 . "Crystal Structure Of Erk2 In Complex With 5h-pyrrolo[2,3-b]pyrazine" . . . . . 100.00 369 98.89 99.17 0.00e+00 . . . . 17748 1 61 no PDB 4QP7 . "Crystal Structure Of Erk2 In Complex With 2-(1h-pyrazol-4-yl)-5h- Pyrrolo[2,3-b]pyrazine" . . . . . 100.00 369 99.17 99.45 0.00e+00 . . . . 17748 1 62 no PDB 4QP8 . "Crystal Structure Of Erk2 In Complex With 2-(1h-pyrazol-4-yl)-7- (pyridin-3-yl)-5h-pyrrolo[2,3-b]pyrazine" . . . . . 100.00 369 99.17 99.45 0.00e+00 . . . . 17748 1 63 no PDB 4QP9 . "Crystal Structure Of Erk2 In Complex With 7-(1-propyl-1h-pyrazol-4- Yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine" . . . . . 100.00 369 99.17 99.45 0.00e+00 . . . . 17748 1 64 no PDB 4QPA . "Crystal Structure Of Erk2 In Complex With 7-(1-benzyl-1h-pyrazol-4- Yl)-2-(pyridin-4-yl)-5h-pyrrolo[2,3-b]pyrazine" . . . . . 100.00 369 98.89 99.17 0.00e+00 . . . . 17748 1 65 no PDB 4QTA . "Structure Of Human Erk2 In Complex With Sch772984 Revealing A Novel Inhibitor-induced Binding Pocket" . . . . . 98.89 361 99.44 99.72 0.00e+00 . . . . 17748 1 66 no PDB 4QTE . "Structure Of Erk2 In Complex With Vtx-11e, 4-{2-[(2-chloro-4- Fluorophenyl)amino]-5-methylpyrimidin-4-yl}-n-[(1s)-1-(3- Chlorop" . . . . . 98.89 361 99.44 99.72 0.00e+00 . . . . 17748 1 67 no PDB 4QYY . "Discovery Of Novel, Dual Mechanism Erk Inhibitors By Affinity Selection Screening Of An Inactive Kinase State" . . . . . 99.45 365 100.00 100.00 0.00e+00 . . . . 17748 1 68 no PDB 4XJ0 . "Crystal Structure Of Erk2 In Complex With An Inhibitor 14k" . . . . . 96.68 349 99.43 99.71 0.00e+00 . . . . 17748 1 69 no PDB 4XNE . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 95.84 346 99.42 99.42 0.00e+00 . . . . 17748 1 70 no PDB 4XOY . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 97.23 351 98.86 98.86 0.00e+00 . . . . 17748 1 71 no PDB 4XOZ . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 97.23 351 99.72 99.72 0.00e+00 . . . . 17748 1 72 no PDB 4XP0 . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 97.23 351 98.86 98.86 0.00e+00 . . . . 17748 1 73 no PDB 4XP2 . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 97.23 351 99.43 99.43 0.00e+00 . . . . 17748 1 74 no PDB 4XP3 . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 97.23 351 99.43 99.43 0.00e+00 . . . . 17748 1 75 no PDB 4XRJ . "Crystal Structure Of Erk2 In Complex With An Inhibitor" . . . . . 95.84 346 99.42 99.42 0.00e+00 . . . . 17748 1 76 no PDB 4ZZM . "Human Erk2 In Complex With An Irreversible Inhibitor" . . . . . 96.95 350 99.71 99.71 0.00e+00 . . . . 17748 1 77 no PDB 4ZZN . "Human Erk2 In Complex With An Inhibitor" . . . . . 96.95 350 99.71 99.71 0.00e+00 . . . . 17748 1 78 no PDB 4ZZO . "Human Erk2 In Complex With An Irreversible Inhibitor" . . . . . 96.95 350 99.71 99.71 0.00e+00 . . . . 17748 1 79 no PDB 5BUE . "Erk2 Complexed With N-benzylpyridone Tetrahydroazaindazole" . . . . . 100.00 361 98.61 98.89 0.00e+00 . . . . 17748 1 80 no PDB 5BUI . "Erk2 Complexed With 2-pyridiyl Tetrahydroazaindazole" . . . . . 100.00 361 98.61 98.89 0.00e+00 . . . . 17748 1 81 no PDB 5BUJ . "Erk2 Complexed With A N-h Tetrahydroazaindazole" . . . . . 100.00 361 98.61 98.89 0.00e+00 . . . . 17748 1 82 no PDB 5BVD . "Tetrahydropyrrolo-diazepenones As Inhibitors Of Erk2 Kinase" . . . . . 100.00 361 98.61 98.89 0.00e+00 . . . . 17748 1 83 no PDB 5BVE . "Tetrahydropyrrolo-diazepenones As Inhibitors Of Erk2 Kinase" . . . . . 100.00 361 98.61 98.89 0.00e+00 . . . . 17748 1 84 no PDB 5BVF . "Tetrahydropyrrolo-diazepenones As Inhibitors Of Erk2 Kinase" . . . . . 100.00 361 98.61 98.89 0.00e+00 . . . . 17748 1 85 no DBJ BAA01733 . "ERK2 [Mus musculus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 86 no DBJ BAA22620 . "ERK2 [Mus musculus]" . . . . . 76.45 291 97.10 97.10 0.00e+00 . . . . 17748 1 87 no DBJ BAC29053 . "unnamed protein product [Mus musculus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 88 no DBJ BAC33251 . "unnamed protein product [Mus musculus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 89 no DBJ BAC40044 . "unnamed protein product [Mus musculus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 90 no EMBL CAA41548 . "mitogen-activated protein kinase (p42) [Mus musculus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 91 no EMBL CAA77752 . "41kD protein kinase [Homo sapiens]" . . . . . 98.89 360 99.16 99.72 0.00e+00 . . . . 17748 1 92 no EMBL CAA77753 . "40kDa protein kinase [Homo sapiens]" . . . . . 96.40 348 99.71 100.00 0.00e+00 . . . . 17748 1 93 no EMBL CAA78467 . "extracellular signal-regulated kinase (ERK2) [Bos taurus]" . . . . . 98.89 360 99.16 99.72 0.00e+00 . . . . 17748 1 94 no EMBL CAI29602 . "hypothetical protein [Pongo abelii]" . . . . . 98.89 358 99.16 99.44 0.00e+00 . . . . 17748 1 95 no GB AAA41124 . "extracellular signal-related kinase 2 [Rattus norvegicus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 96 no GB AAA58459 . "protein kinase 2 [Homo sapiens]" . . . . . 98.89 360 99.44 99.72 0.00e+00 . . . . 17748 1 97 no GB AAH17832 . "Mitogen-activated protein kinase 1 [Homo sapiens]" . . . . . 98.89 360 99.44 99.72 0.00e+00 . . . . 17748 1 98 no GB AAH58258 . "Mitogen-activated protein kinase 1 [Mus musculus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 99 no GB AAH99905 . "Mitogen-activated protein kinase 1 [Homo sapiens]" . . . . . 98.89 360 98.88 99.44 0.00e+00 . . . . 17748 1 100 no PRF 1813206A . "mitogen-activated protein kinase" . . . . . 98.89 360 99.16 99.72 0.00e+00 . . . . 17748 1 101 no PRF 1813206B . "mitogen-activated protein kinase" . . . . . 96.40 348 99.71 100.00 0.00e+00 . . . . 17748 1 102 no REF NP_001033752 . "mitogen-activated protein kinase 1 [Mus musculus]" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 103 no REF NP_001104270 . "mitogen-activated protein kinase 1 [Canis lupus familiaris]" . . . . . 98.89 360 99.44 99.72 0.00e+00 . . . . 17748 1 104 no REF NP_001185851 . "mitogen-activated protein kinase 1 [Sus scrofa]" . . . . . 98.89 359 99.16 99.72 0.00e+00 . . . . 17748 1 105 no REF NP_001297736 . "mitogen-activated protein kinase 1 [Anas platyrhynchos]" . . . . . 98.89 368 97.76 98.60 0.00e+00 . . . . 17748 1 106 no REF NP_001301131 . "mitogen-activated protein kinase 1 [Capra hircus]" . . . . . 98.89 360 99.16 99.72 0.00e+00 . . . . 17748 1 107 no SP P28482 . "RecName: Full=Mitogen-activated protein kinase 1; Short=MAP kinase 1; Short=MAPK 1; AltName: Full=ERT1; AltName: Full=Extracell" . . . . . 98.89 360 99.44 99.72 0.00e+00 . . . . 17748 1 108 no SP P46196 . "RecName: Full=Mitogen-activated protein kinase 1; Short=MAP kinase 1; Short=MAPK 1; AltName: Full=ERT1; AltName: Full=Extracell" . . . . . 98.89 360 99.16 99.72 0.00e+00 . . . . 17748 1 109 no SP P63085 . "RecName: Full=Mitogen-activated protein kinase 1; Short=MAP kinase 1; Short=MAPK 1; AltName: Full=ERT1; AltName: Full=Extracell" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 110 no SP P63086 . "RecName: Full=Mitogen-activated protein kinase 1; Short=MAP kinase 1; Short=MAPK 1; AltName: Full=ERT1; AltName: Full=Extracell" . . . . . 99.17 358 100.00 100.00 0.00e+00 . . . . 17748 1 111 no TPG DAA20381 . "TPA: mitogen-activated protein kinase 1 [Bos taurus]" . . . . . 88.09 321 99.37 99.69 0.00e+00 . . . . 17748 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ser/Thr kinase' 17748 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 . GLY . 17748 1 2 . SER . 17748 1 3 . HIS . 17748 1 4 . MET . 17748 1 5 . ALA . 17748 1 6 . ALA . 17748 1 7 . ALA . 17748 1 8 . ALA . 17748 1 9 . ALA . 17748 1 10 . ALA . 17748 1 11 . GLY . 17748 1 12 . PRO . 17748 1 13 . GLU . 17748 1 14 . MET . 17748 1 15 . VAL . 17748 1 16 . ARG . 17748 1 17 . GLY . 17748 1 18 . GLN . 17748 1 19 . VAL . 17748 1 20 . PHE . 17748 1 21 . ASP . 17748 1 22 . VAL . 17748 1 23 . GLY . 17748 1 24 . PRO . 17748 1 25 . ARG . 17748 1 26 . TYR . 17748 1 27 . THR . 17748 1 28 . ASN . 17748 1 29 . LEU . 17748 1 30 . SER . 17748 1 31 . TYR . 17748 1 32 . ILE . 17748 1 33 . GLY . 17748 1 34 . GLU . 17748 1 35 . GLY . 17748 1 36 . ALA . 17748 1 37 . TYR . 17748 1 38 . GLY . 17748 1 39 . MET . 17748 1 40 . VAL . 17748 1 41 . CYS . 17748 1 42 . SER . 17748 1 43 . ALA . 17748 1 44 . TYR . 17748 1 45 . ASP . 17748 1 46 . ASN . 17748 1 47 . LEU . 17748 1 48 . ASN . 17748 1 49 . LYS . 17748 1 50 . VAL . 17748 1 51 . ARG . 17748 1 52 . VAL . 17748 1 53 . ALA . 17748 1 54 . ILE . 17748 1 55 . LYS . 17748 1 56 . LYS . 17748 1 57 . ILE . 17748 1 58 . SER . 17748 1 59 . PRO . 17748 1 60 . PHE . 17748 1 61 . GLU . 17748 1 62 . HIS . 17748 1 63 . GLN . 17748 1 64 . THR . 17748 1 65 . TYR . 17748 1 66 . CYS . 17748 1 67 . GLN . 17748 1 68 . ARG . 17748 1 69 . THR . 17748 1 70 . LEU . 17748 1 71 . ARG . 17748 1 72 . GLU . 17748 1 73 . ILE . 17748 1 74 . LYS . 17748 1 75 . ILE . 17748 1 76 . LEU . 17748 1 77 . LEU . 17748 1 78 . ARG . 17748 1 79 . PHE . 17748 1 80 . ARG . 17748 1 81 . HIS . 17748 1 82 . GLU . 17748 1 83 . ASN . 17748 1 84 . ILE . 17748 1 85 . ILE . 17748 1 86 . GLY . 17748 1 87 . ILE . 17748 1 88 . ASN . 17748 1 89 . ASP . 17748 1 90 . ILE . 17748 1 91 . ILE . 17748 1 92 . ARG . 17748 1 93 . ALA . 17748 1 94 . PRO . 17748 1 95 . THR . 17748 1 96 . ILE . 17748 1 97 . GLU . 17748 1 98 . GLN . 17748 1 99 . MET . 17748 1 100 . LYS . 17748 1 101 . ASP . 17748 1 102 . VAL . 17748 1 103 . TYR . 17748 1 104 . ILE . 17748 1 105 . VAL . 17748 1 106 . GLN . 17748 1 107 . ASP . 17748 1 108 . LEU . 17748 1 109 . MET . 17748 1 110 . GLU . 17748 1 111 . THR . 17748 1 112 . ASP . 17748 1 113 . LEU . 17748 1 114 . TYR . 17748 1 115 . LYS . 17748 1 116 . LEU . 17748 1 117 . LEU . 17748 1 118 . LYS . 17748 1 119 . THR . 17748 1 120 . GLN . 17748 1 121 . HIS . 17748 1 122 . LEU . 17748 1 123 . SER . 17748 1 124 . ASN . 17748 1 125 . ASP . 17748 1 126 . HIS . 17748 1 127 . ILE . 17748 1 128 . CYS . 17748 1 129 . TYR . 17748 1 130 . PHE . 17748 1 131 . LEU . 17748 1 132 . TYR . 17748 1 133 . GLN . 17748 1 134 . ILE . 17748 1 135 . LEU . 17748 1 136 . ARG . 17748 1 137 . GLY . 17748 1 138 . LEU . 17748 1 139 . LYS . 17748 1 140 . TYR . 17748 1 141 . ILE . 17748 1 142 . HIS . 17748 1 143 . SER . 17748 1 144 . ALA . 17748 1 145 . ASN . 17748 1 146 . VAL . 17748 1 147 . LEU . 17748 1 148 . HIS . 17748 1 149 . ARG . 17748 1 150 . ASP . 17748 1 151 . LEU . 17748 1 152 . LYS . 17748 1 153 . PRO . 17748 1 154 . SER . 17748 1 155 . ASN . 17748 1 156 . LEU . 17748 1 157 . LEU . 17748 1 158 . LEU . 17748 1 159 . ASN . 17748 1 160 . THR . 17748 1 161 . THR . 17748 1 162 . CYS . 17748 1 163 . ASP . 17748 1 164 . LEU . 17748 1 165 . LYS . 17748 1 166 . ILE . 17748 1 167 . CYS . 17748 1 168 . ASP . 17748 1 169 . PHE . 17748 1 170 . GLY . 17748 1 171 . LEU . 17748 1 172 . ALA . 17748 1 173 . ARG . 17748 1 174 . VAL . 17748 1 175 . ALA . 17748 1 176 . ASP . 17748 1 177 . PRO . 17748 1 178 . ASP . 17748 1 179 . HIS . 17748 1 180 . ASP . 17748 1 181 . HIS . 17748 1 182 . THR . 17748 1 183 . GLY . 17748 1 184 . PHE . 17748 1 185 . LEU . 17748 1 186 . THR . 17748 1 187 . GLU . 17748 1 188 . TYR . 17748 1 189 . VAL . 17748 1 190 . ALA . 17748 1 191 . THR . 17748 1 192 . ARG . 17748 1 193 . TRP . 17748 1 194 . TYR . 17748 1 195 . ARG . 17748 1 196 . ALA . 17748 1 197 . PRO . 17748 1 198 . GLU . 17748 1 199 . ILE . 17748 1 200 . MET . 17748 1 201 . LEU . 17748 1 202 . ASN . 17748 1 203 . SER . 17748 1 204 . LYS . 17748 1 205 . GLY . 17748 1 206 . TYR . 17748 1 207 . THR . 17748 1 208 . LYS . 17748 1 209 . SER . 17748 1 210 . ILE . 17748 1 211 . ASP . 17748 1 212 . ILE . 17748 1 213 . TRP . 17748 1 214 . SER . 17748 1 215 . VAL . 17748 1 216 . GLY . 17748 1 217 . CYS . 17748 1 218 . ILE . 17748 1 219 . LEU . 17748 1 220 . ALA . 17748 1 221 . GLU . 17748 1 222 . MET . 17748 1 223 . LEU . 17748 1 224 . SER . 17748 1 225 . ASN . 17748 1 226 . ARG . 17748 1 227 . PRO . 17748 1 228 . ILE . 17748 1 229 . PHE . 17748 1 230 . PRO . 17748 1 231 . GLY . 17748 1 232 . LYS . 17748 1 233 . HIS . 17748 1 234 . TYR . 17748 1 235 . LEU . 17748 1 236 . ASP . 17748 1 237 . GLN . 17748 1 238 . LEU . 17748 1 239 . ASN . 17748 1 240 . HIS . 17748 1 241 . ILE . 17748 1 242 . LEU . 17748 1 243 . GLY . 17748 1 244 . ILE . 17748 1 245 . LEU . 17748 1 246 . GLY . 17748 1 247 . SER . 17748 1 248 . PRO . 17748 1 249 . SER . 17748 1 250 . GLN . 17748 1 251 . GLU . 17748 1 252 . ASP . 17748 1 253 . LEU . 17748 1 254 . ASN . 17748 1 255 . CYS . 17748 1 256 . ILE . 17748 1 257 . ILE . 17748 1 258 . ASN . 17748 1 259 . LEU . 17748 1 260 . LYS . 17748 1 261 . ALA . 17748 1 262 . ARG . 17748 1 263 . ASN . 17748 1 264 . TYR . 17748 1 265 . LEU . 17748 1 266 . LEU . 17748 1 267 . SER . 17748 1 268 . LEU . 17748 1 269 . PRO . 17748 1 270 . HIS . 17748 1 271 . LYS . 17748 1 272 . ASN . 17748 1 273 . LYS . 17748 1 274 . VAL . 17748 1 275 . PRO . 17748 1 276 . TRP . 17748 1 277 . ASN . 17748 1 278 . ARG . 17748 1 279 . LEU . 17748 1 280 . PHE . 17748 1 281 . PRO . 17748 1 282 . ASN . 17748 1 283 . ALA . 17748 1 284 . ASP . 17748 1 285 . SER . 17748 1 286 . LYS . 17748 1 287 . ALA . 17748 1 288 . LEU . 17748 1 289 . ASP . 17748 1 290 . LEU . 17748 1 291 . LEU . 17748 1 292 . ASP . 17748 1 293 . LYS . 17748 1 294 . MET . 17748 1 295 . LEU . 17748 1 296 . THR . 17748 1 297 . PHE . 17748 1 298 . ASN . 17748 1 299 . PRO . 17748 1 300 . HIS . 17748 1 301 . LYS . 17748 1 302 . ARG . 17748 1 303 . ILE . 17748 1 304 . GLU . 17748 1 305 . VAL . 17748 1 306 . GLU . 17748 1 307 . GLN . 17748 1 308 . ALA . 17748 1 309 . LEU . 17748 1 310 . ALA . 17748 1 311 . HIS . 17748 1 312 . PRO . 17748 1 313 . TYR . 17748 1 314 . LEU . 17748 1 315 . GLU . 17748 1 316 . GLN . 17748 1 317 . TYR . 17748 1 318 . TYR . 17748 1 319 . ASP . 17748 1 320 . PRO . 17748 1 321 . SER . 17748 1 322 . ASP . 17748 1 323 . GLU . 17748 1 324 . PRO . 17748 1 325 . ILE . 17748 1 326 . ALA . 17748 1 327 . GLU . 17748 1 328 . ALA . 17748 1 329 . PRO . 17748 1 330 . PHE . 17748 1 331 . LYS . 17748 1 332 . PHE . 17748 1 333 . ASP . 17748 1 334 . MET . 17748 1 335 . GLU . 17748 1 336 . LEU . 17748 1 337 . ASP . 17748 1 338 . ASP . 17748 1 339 . LEU . 17748 1 340 . PRO . 17748 1 341 . LYS . 17748 1 342 . GLU . 17748 1 343 . LYS . 17748 1 344 . LEU . 17748 1 345 . LYS . 17748 1 346 . GLU . 17748 1 347 . LEU . 17748 1 348 . ILE . 17748 1 349 . PHE . 17748 1 350 . GLU . 17748 1 351 . GLU . 17748 1 352 . THR . 17748 1 353 . ALA . 17748 1 354 . ARG . 17748 1 355 . PHE . 17748 1 356 . GLN . 17748 1 357 . PRO . 17748 1 358 . GLY . 17748 1 359 . TYR . 17748 1 360 . ARG . 17748 1 361 . SER . 17748 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 . GLY 1 1 17748 1 . SER 2 2 17748 1 . HIS 3 3 17748 1 . MET 4 4 17748 1 . ALA 5 5 17748 1 . ALA 6 6 17748 1 . ALA 7 7 17748 1 . ALA 8 8 17748 1 . ALA 9 9 17748 1 . ALA 10 10 17748 1 . GLY 11 11 17748 1 . PRO 12 12 17748 1 . GLU 13 13 17748 1 . MET 14 14 17748 1 . VAL 15 15 17748 1 . ARG 16 16 17748 1 . GLY 17 17 17748 1 . GLN 18 18 17748 1 . VAL 19 19 17748 1 . PHE 20 20 17748 1 . ASP 21 21 17748 1 . VAL 22 22 17748 1 . GLY 23 23 17748 1 . PRO 24 24 17748 1 . ARG 25 25 17748 1 . TYR 26 26 17748 1 . THR 27 27 17748 1 . ASN 28 28 17748 1 . LEU 29 29 17748 1 . SER 30 30 17748 1 . TYR 31 31 17748 1 . ILE 32 32 17748 1 . GLY 33 33 17748 1 . GLU 34 34 17748 1 . GLY 35 35 17748 1 . ALA 36 36 17748 1 . TYR 37 37 17748 1 . GLY 38 38 17748 1 . MET 39 39 17748 1 . VAL 40 40 17748 1 . CYS 41 41 17748 1 . SER 42 42 17748 1 . ALA 43 43 17748 1 . TYR 44 44 17748 1 . ASP 45 45 17748 1 . ASN 46 46 17748 1 . LEU 47 47 17748 1 . ASN 48 48 17748 1 . LYS 49 49 17748 1 . VAL 50 50 17748 1 . ARG 51 51 17748 1 . VAL 52 52 17748 1 . ALA 53 53 17748 1 . ILE 54 54 17748 1 . LYS 55 55 17748 1 . LYS 56 56 17748 1 . ILE 57 57 17748 1 . SER 58 58 17748 1 . PRO 59 59 17748 1 . PHE 60 60 17748 1 . GLU 61 61 17748 1 . HIS 62 62 17748 1 . GLN 63 63 17748 1 . THR 64 64 17748 1 . TYR 65 65 17748 1 . CYS 66 66 17748 1 . GLN 67 67 17748 1 . ARG 68 68 17748 1 . THR 69 69 17748 1 . LEU 70 70 17748 1 . ARG 71 71 17748 1 . GLU 72 72 17748 1 . ILE 73 73 17748 1 . LYS 74 74 17748 1 . ILE 75 75 17748 1 . LEU 76 76 17748 1 . LEU 77 77 17748 1 . ARG 78 78 17748 1 . PHE 79 79 17748 1 . ARG 80 80 17748 1 . HIS 81 81 17748 1 . GLU 82 82 17748 1 . ASN 83 83 17748 1 . ILE 84 84 17748 1 . ILE 85 85 17748 1 . GLY 86 86 17748 1 . ILE 87 87 17748 1 . ASN 88 88 17748 1 . ASP 89 89 17748 1 . ILE 90 90 17748 1 . ILE 91 91 17748 1 . ARG 92 92 17748 1 . ALA 93 93 17748 1 . PRO 94 94 17748 1 . THR 95 95 17748 1 . ILE 96 96 17748 1 . GLU 97 97 17748 1 . GLN 98 98 17748 1 . MET 99 99 17748 1 . LYS 100 100 17748 1 . ASP 101 101 17748 1 . VAL 102 102 17748 1 . TYR 103 103 17748 1 . ILE 104 104 17748 1 . VAL 105 105 17748 1 . GLN 106 106 17748 1 . ASP 107 107 17748 1 . LEU 108 108 17748 1 . MET 109 109 17748 1 . GLU 110 110 17748 1 . THR 111 111 17748 1 . ASP 112 112 17748 1 . LEU 113 113 17748 1 . TYR 114 114 17748 1 . LYS 115 115 17748 1 . LEU 116 116 17748 1 . LEU 117 117 17748 1 . LYS 118 118 17748 1 . THR 119 119 17748 1 . GLN 120 120 17748 1 . HIS 121 121 17748 1 . LEU 122 122 17748 1 . SER 123 123 17748 1 . ASN 124 124 17748 1 . ASP 125 125 17748 1 . HIS 126 126 17748 1 . ILE 127 127 17748 1 . CYS 128 128 17748 1 . TYR 129 129 17748 1 . PHE 130 130 17748 1 . LEU 131 131 17748 1 . TYR 132 132 17748 1 . GLN 133 133 17748 1 . ILE 134 134 17748 1 . LEU 135 135 17748 1 . ARG 136 136 17748 1 . GLY 137 137 17748 1 . LEU 138 138 17748 1 . LYS 139 139 17748 1 . TYR 140 140 17748 1 . ILE 141 141 17748 1 . HIS 142 142 17748 1 . SER 143 143 17748 1 . ALA 144 144 17748 1 . ASN 145 145 17748 1 . VAL 146 146 17748 1 . LEU 147 147 17748 1 . HIS 148 148 17748 1 . ARG 149 149 17748 1 . ASP 150 150 17748 1 . LEU 151 151 17748 1 . LYS 152 152 17748 1 . PRO 153 153 17748 1 . SER 154 154 17748 1 . ASN 155 155 17748 1 . LEU 156 156 17748 1 . LEU 157 157 17748 1 . LEU 158 158 17748 1 . ASN 159 159 17748 1 . THR 160 160 17748 1 . THR 161 161 17748 1 . CYS 162 162 17748 1 . ASP 163 163 17748 1 . LEU 164 164 17748 1 . LYS 165 165 17748 1 . ILE 166 166 17748 1 . CYS 167 167 17748 1 . ASP 168 168 17748 1 . PHE 169 169 17748 1 . GLY 170 170 17748 1 . LEU 171 171 17748 1 . ALA 172 172 17748 1 . ARG 173 173 17748 1 . VAL 174 174 17748 1 . ALA 175 175 17748 1 . ASP 176 176 17748 1 . PRO 177 177 17748 1 . ASP 178 178 17748 1 . HIS 179 179 17748 1 . ASP 180 180 17748 1 . HIS 181 181 17748 1 . THR 182 182 17748 1 . GLY 183 183 17748 1 . PHE 184 184 17748 1 . LEU 185 185 17748 1 . THR 186 186 17748 1 . GLU 187 187 17748 1 . TYR 188 188 17748 1 . VAL 189 189 17748 1 . ALA 190 190 17748 1 . THR 191 191 17748 1 . ARG 192 192 17748 1 . TRP 193 193 17748 1 . TYR 194 194 17748 1 . ARG 195 195 17748 1 . ALA 196 196 17748 1 . PRO 197 197 17748 1 . GLU 198 198 17748 1 . ILE 199 199 17748 1 . MET 200 200 17748 1 . LEU 201 201 17748 1 . ASN 202 202 17748 1 . SER 203 203 17748 1 . LYS 204 204 17748 1 . GLY 205 205 17748 1 . TYR 206 206 17748 1 . THR 207 207 17748 1 . LYS 208 208 17748 1 . SER 209 209 17748 1 . ILE 210 210 17748 1 . ASP 211 211 17748 1 . ILE 212 212 17748 1 . TRP 213 213 17748 1 . SER 214 214 17748 1 . VAL 215 215 17748 1 . GLY 216 216 17748 1 . CYS 217 217 17748 1 . ILE 218 218 17748 1 . LEU 219 219 17748 1 . ALA 220 220 17748 1 . GLU 221 221 17748 1 . MET 222 222 17748 1 . LEU 223 223 17748 1 . SER 224 224 17748 1 . ASN 225 225 17748 1 . ARG 226 226 17748 1 . PRO 227 227 17748 1 . ILE 228 228 17748 1 . PHE 229 229 17748 1 . PRO 230 230 17748 1 . GLY 231 231 17748 1 . LYS 232 232 17748 1 . HIS 233 233 17748 1 . TYR 234 234 17748 1 . LEU 235 235 17748 1 . ASP 236 236 17748 1 . GLN 237 237 17748 1 . LEU 238 238 17748 1 . ASN 239 239 17748 1 . HIS 240 240 17748 1 . ILE 241 241 17748 1 . LEU 242 242 17748 1 . GLY 243 243 17748 1 . ILE 244 244 17748 1 . LEU 245 245 17748 1 . GLY 246 246 17748 1 . SER 247 247 17748 1 . PRO 248 248 17748 1 . SER 249 249 17748 1 . GLN 250 250 17748 1 . GLU 251 251 17748 1 . ASP 252 252 17748 1 . LEU 253 253 17748 1 . ASN 254 254 17748 1 . CYS 255 255 17748 1 . ILE 256 256 17748 1 . ILE 257 257 17748 1 . ASN 258 258 17748 1 . LEU 259 259 17748 1 . LYS 260 260 17748 1 . ALA 261 261 17748 1 . ARG 262 262 17748 1 . ASN 263 263 17748 1 . TYR 264 264 17748 1 . LEU 265 265 17748 1 . LEU 266 266 17748 1 . SER 267 267 17748 1 . LEU 268 268 17748 1 . PRO 269 269 17748 1 . HIS 270 270 17748 1 . LYS 271 271 17748 1 . ASN 272 272 17748 1 . LYS 273 273 17748 1 . VAL 274 274 17748 1 . PRO 275 275 17748 1 . TRP 276 276 17748 1 . ASN 277 277 17748 1 . ARG 278 278 17748 1 . LEU 279 279 17748 1 . PHE 280 280 17748 1 . PRO 281 281 17748 1 . ASN 282 282 17748 1 . ALA 283 283 17748 1 . ASP 284 284 17748 1 . SER 285 285 17748 1 . LYS 286 286 17748 1 . ALA 287 287 17748 1 . LEU 288 288 17748 1 . ASP 289 289 17748 1 . LEU 290 290 17748 1 . LEU 291 291 17748 1 . ASP 292 292 17748 1 . LYS 293 293 17748 1 . MET 294 294 17748 1 . LEU 295 295 17748 1 . THR 296 296 17748 1 . PHE 297 297 17748 1 . ASN 298 298 17748 1 . PRO 299 299 17748 1 . HIS 300 300 17748 1 . LYS 301 301 17748 1 . ARG 302 302 17748 1 . ILE 303 303 17748 1 . GLU 304 304 17748 1 . VAL 305 305 17748 1 . GLU 306 306 17748 1 . GLN 307 307 17748 1 . ALA 308 308 17748 1 . LEU 309 309 17748 1 . ALA 310 310 17748 1 . HIS 311 311 17748 1 . PRO 312 312 17748 1 . TYR 313 313 17748 1 . LEU 314 314 17748 1 . GLU 315 315 17748 1 . GLN 316 316 17748 1 . TYR 317 317 17748 1 . TYR 318 318 17748 1 . ASP 319 319 17748 1 . PRO 320 320 17748 1 . SER 321 321 17748 1 . ASP 322 322 17748 1 . GLU 323 323 17748 1 . PRO 324 324 17748 1 . ILE 325 325 17748 1 . ALA 326 326 17748 1 . GLU 327 327 17748 1 . ALA 328 328 17748 1 . PRO 329 329 17748 1 . PHE 330 330 17748 1 . LYS 331 331 17748 1 . PHE 332 332 17748 1 . ASP 333 333 17748 1 . MET 334 334 17748 1 . GLU 335 335 17748 1 . LEU 336 336 17748 1 . ASP 337 337 17748 1 . ASP 338 338 17748 1 . LEU 339 339 17748 1 . PRO 340 340 17748 1 . LYS 341 341 17748 1 . GLU 342 342 17748 1 . LYS 343 343 17748 1 . LEU 344 344 17748 1 . LYS 345 345 17748 1 . GLU 346 346 17748 1 . LEU 347 347 17748 1 . ILE 348 348 17748 1 . PHE 349 349 17748 1 . GLU 350 350 17748 1 . GLU 351 351 17748 1 . THR 352 352 17748 1 . ALA 353 353 17748 1 . ARG 354 354 17748 1 . PHE 355 355 17748 1 . GLN 356 356 17748 1 . PRO 357 357 17748 1 . GLY 358 358 17748 1 . TYR 359 359 17748 1 . ARG 360 360 17748 1 . SER 361 361 17748 1 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 17748 _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 $ERK2 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 17748 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 17748 _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 $ERK2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 17748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17748 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details pH=6.8 _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ERK2 '[U-13C; U-15N; U-2H]' . . 1 $ERK2 . . 0.2 . . mM . . . . 17748 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17748 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17748 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17748 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17748 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17748 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17748 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17748 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 17748 1 pH 6.8 . pH 17748 1 pressure 1 . atm 17748 1 temperature 298 . K 17748 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17748 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17748 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17748 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17748 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17748 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17748 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17748 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 17748 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17748 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 17748 1 2 spectrometer_2 Bruker Avance . 800 . . . 17748 1 3 spectrometer_3 Bruker Avance . 700 . . . 17748 1 4 spectrometer_4 Bruker Avance . 600 . . . 17748 1 5 spectrometer_5 Varian INOVA . 600 . . . 17748 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 17748 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17748 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17748 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17748 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17748 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17748 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17748 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17748 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . . . . . 17748 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 17748 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17748 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17748 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17748 1 2 '3D HNCO' . . . 17748 1 3 '3D HNCA' . . . 17748 1 4 '3D HNCACB' . . . 17748 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 4 4 MET C C 13 175.786 0.25 . 1 . . . . 4 M C . 17748 1 2 . 1 1 4 4 MET CA C 13 55.086 0.25 . 1 . . . . 4 M CA . 17748 1 3 . 1 1 4 4 MET CB C 13 32.056 0.25 . 1 . . . . 4 M CB . 17748 1 4 . 1 1 5 5 ALA H H 1 8.263 0.05 . 1 . . . . 5 A HN . 17748 1 5 . 1 1 5 5 ALA CA C 13 52.116 0.25 . 1 . . . . 5 A CA . 17748 1 6 . 1 1 5 5 ALA CB C 13 18.326 0.25 . 1 . . . . 5 A CB . 17748 1 7 . 1 1 5 5 ALA N N 15 125.997 0.14 . 1 . . . . 5 A N . 17748 1 8 . 1 1 6 6 ALA H H 1 8.178 0.05 . 1 . . . . 6 A HN . 17748 1 9 . 1 1 6 6 ALA N N 15 123.797 0.14 . 1 . . . . 6 A N . 17748 1 10 . 1 1 9 9 ALA H H 1 8.193 0.05 . 1 . . . . 9 A HN . 17748 1 11 . 1 1 9 9 ALA N N 15 123.997 0.14 . 1 . . . . 9 A N . 17748 1 12 . 1 1 10 10 ALA C C 13 177.786 0.25 . 1 . . . . 10 A C . 17748 1 13 . 1 1 10 10 ALA CA C 13 51.876 0.25 . 1 . . . . 10 A CA . 17748 1 14 . 1 1 10 10 ALA CB C 13 18.776 0.25 . 1 . . . . 10 A CB . 17748 1 15 . 1 1 11 11 GLY H H 1 8.005 0.10 . 1 . . . . 11 G HN . 17748 1 16 . 1 1 11 11 GLY CA C 13 44.006 0.25 . 1 . . . . 11 G CA . 17748 1 17 . 1 1 11 11 GLY N N 15 108.797 0.14 . 1 . . . . 11 G N . 17748 1 18 . 1 1 12 12 PRO C C 13 176.786 0.25 . 1 . . . . 12 P C . 17748 1 19 . 1 1 12 12 PRO CA C 13 62.276 0.25 . 1 . . . . 12 P CA . 17748 1 20 . 1 1 12 12 PRO CB C 13 31.596 0.25 . 1 . . . . 12 P CB . 17748 1 21 . 1 1 13 13 GLU H H 1 8.480 0.05 . 1 . . . . 13 E HN . 17748 1 22 . 1 1 13 13 GLU C C 13 174.886 0.25 . 1 . . . . 13 E C . 17748 1 23 . 1 1 13 13 GLU CA C 13 56.596 0.25 . 1 . . . . 13 E CA . 17748 1 24 . 1 1 13 13 GLU CB C 13 30.166 0.25 . 1 . . . . 13 E CB . 17748 1 25 . 1 1 13 13 GLU N N 15 121.497 0.14 . 1 . . . . 13 E N . 17748 1 26 . 1 1 14 14 MET H H 1 8.255 0.05 . 1 . . . . 14 M HN . 17748 1 27 . 1 1 14 14 MET C C 13 176.186 0.25 . 1 . . . . 14 M C . 17748 1 28 . 1 1 14 14 MET CA C 13 53.426 0.25 . 1 . . . . 14 M CA . 17748 1 29 . 1 1 14 14 MET CB C 13 34.366 0.25 . 1 . . . . 14 M CB . 17748 1 30 . 1 1 14 14 MET N N 15 119.997 0.14 . 1 . . . . 14 M N . 17748 1 31 . 1 1 15 15 VAL H H 1 9.053 0.05 . 1 . . . . 15 V HN . 17748 1 32 . 1 1 15 15 VAL C C 13 174.886 0.25 . 1 . . . . 15 V C . 17748 1 33 . 1 1 15 15 VAL CA C 13 61.206 0.25 . 1 . . . . 15 V CA . 17748 1 34 . 1 1 15 15 VAL CB C 13 33.276 0.25 . 1 . . . . 15 V CB . 17748 1 35 . 1 1 15 15 VAL N N 15 124.197 0.14 . 1 . . . . 15 V N . 17748 1 36 . 1 1 16 16 ARG H H 1 9.203 0.05 . 1 . . . . 16 R HN . 17748 1 37 . 1 1 16 16 ARG C C 13 176.586 0.25 . 1 . . . . 16 R C . 17748 1 38 . 1 1 16 16 ARG CA C 13 56.266 0.25 . 1 . . . . 16 R CA . 17748 1 39 . 1 1 16 16 ARG CB C 13 27.056 0.25 . 1 . . . . 16 R CB . 17748 1 40 . 1 1 16 16 ARG N N 15 125.397 0.14 . 1 . . . . 16 R N . 17748 1 41 . 1 1 17 17 GLY H H 1 8.464 0.05 . 1 . . . . 17 G HN . 17748 1 42 . 1 1 17 17 GLY C C 13 173.886 0.25 . 1 . . . . 17 G C . 17748 1 43 . 1 1 17 17 GLY CA C 13 45.046 0.25 . 1 . . . . 17 G CA . 17748 1 44 . 1 1 17 17 GLY N N 15 103.597 0.14 . 1 . . . . 17 G N . 17748 1 45 . 1 1 18 18 GLN H H 1 8.139 0.05 . 1 . . . . 18 Q HN . 17748 1 46 . 1 1 18 18 GLN C C 13 175.186 0.25 . 1 . . . . 18 Q C . 17748 1 47 . 1 1 18 18 GLN CA C 13 53.256 0.25 . 1 . . . . 18 Q CA . 17748 1 48 . 1 1 18 18 GLN CB C 13 30.296 0.25 . 1 . . . . 18 Q CB . 17748 1 49 . 1 1 18 18 GLN N N 15 119.897 0.14 . 1 . . . . 18 Q N . 17748 1 50 . 1 1 19 19 VAL H H 1 8.682 0.05 . 1 . . . . 19 V HN . 17748 1 51 . 1 1 19 19 VAL C C 13 175.886 0.25 . 1 . . . . 19 V C . 17748 1 52 . 1 1 19 19 VAL CA C 13 63.006 0.25 . 1 . . . . 19 V CA . 17748 1 53 . 1 1 19 19 VAL CB C 13 31.596 0.25 . 1 . . . . 19 V CB . 17748 1 54 . 1 1 19 19 VAL N N 15 123.597 0.14 . 1 . . . . 19 V N . 17748 1 55 . 1 1 20 20 PHE H H 1 8.986 0.05 . 1 . . . . 20 F HN . 17748 1 56 . 1 1 20 20 PHE C C 13 174.786 0.25 . 1 . . . . 20 F C . 17748 1 57 . 1 1 20 20 PHE CA C 13 56.756 0.25 . 1 . . . . 20 F CA . 17748 1 58 . 1 1 20 20 PHE CB C 13 40.176 0.25 . 1 . . . . 20 F CB . 17748 1 59 . 1 1 20 20 PHE N N 15 130.997 0.14 . 1 . . . . 20 F N . 17748 1 60 . 1 1 21 21 ASP H H 1 7.918 0.05 . 1 . . . . 21 D HN . 17748 1 61 . 1 1 21 21 ASP C C 13 174.486 0.25 . 1 . . . . 21 D C . 17748 1 62 . 1 1 21 21 ASP CA C 13 53.026 0.25 . 1 . . . . 21 D CA . 17748 1 63 . 1 1 21 21 ASP CB C 13 38.946 0.25 . 1 . . . . 21 D CB . 17748 1 64 . 1 1 21 21 ASP N N 15 124.497 0.14 . 1 . . . . 21 D N . 17748 1 65 . 1 1 22 22 VAL H H 1 7.448 0.05 . 1 . . . . 22 V HN . 17748 1 66 . 1 1 22 22 VAL C C 13 176.186 0.25 . 1 . . . . 22 V C . 17748 1 67 . 1 1 22 22 VAL CA C 13 59.706 0.25 . 1 . . . . 22 V CA . 17748 1 68 . 1 1 22 22 VAL CB C 13 31.196 0.25 . 1 . . . . 22 V CB . 17748 1 69 . 1 1 22 22 VAL N N 15 110.297 0.14 . 1 . . . . 22 V N . 17748 1 70 . 1 1 23 23 GLY H H 1 8.712 0.05 . 1 . . . . 23 G HN . 17748 1 71 . 1 1 23 23 GLY CA C 13 44.286 0.25 . 1 . . . . 23 G CA . 17748 1 72 . 1 1 23 23 GLY N N 15 112.497 0.14 . 1 . . . . 23 G N . 17748 1 73 . 1 1 24 24 PRO C C 13 177.486 0.25 . 1 . . . . 24 P C . 17748 1 74 . 1 1 24 24 PRO CA C 13 62.386 0.25 . 1 . . . . 24 P CA . 17748 1 75 . 1 1 24 24 PRO CB C 13 33.806 0.25 . 1 . . . . 24 P CB . 17748 1 76 . 1 1 25 25 ARG H H 1 8.540 0.05 . 1 . . . . 25 R HN . 17748 1 77 . 1 1 25 25 ARG C C 13 175.586 0.25 . 1 . . . . 25 R C . 17748 1 78 . 1 1 25 25 ARG CA C 13 60.036 0.25 . 1 . . . . 25 R CA . 17748 1 79 . 1 1 25 25 ARG CB C 13 28.866 0.25 . 1 . . . . 25 R CB . 17748 1 80 . 1 1 25 25 ARG N N 15 123.497 0.14 . 1 . . . . 25 R N . 17748 1 81 . 1 1 26 26 TYR H H 1 7.259 0.05 . 1 . . . . 26 Y HN . 17748 1 82 . 1 1 26 26 TYR C C 13 175.486 0.25 . 1 . . . . 26 Y C . 17748 1 83 . 1 1 26 26 TYR CA C 13 55.146 0.25 . 1 . . . . 26 Y CA . 17748 1 84 . 1 1 26 26 TYR N N 15 117.297 0.14 . 1 . . . . 26 Y N . 17748 1 85 . 1 1 27 27 THR H H 1 8.742 0.05 . 1 . . . . 27 T HN . 17748 1 86 . 1 1 27 27 THR C C 13 174.086 0.25 . 1 . . . . 27 T C . 17748 1 87 . 1 1 27 27 THR CA C 13 59.366 0.25 . 1 . . . . 27 T CA . 17748 1 88 . 1 1 27 27 THR CB C 13 72.756 0.25 . 1 . . . . 27 T CB . 17748 1 89 . 1 1 27 27 THR N N 15 112.397 0.14 . 1 . . . . 27 T N . 17748 1 90 . 1 1 28 28 ASN H H 1 9.652 0.05 . 1 . . . . 28 N HN . 17748 1 91 . 1 1 28 28 ASN C C 13 174.686 0.25 . 1 . . . . 28 N C . 17748 1 92 . 1 1 28 28 ASN CA C 13 53.626 0.25 . 1 . . . . 28 N CA . 17748 1 93 . 1 1 28 28 ASN CB C 13 35.676 0.25 . 1 . . . . 28 N CB . 17748 1 94 . 1 1 28 28 ASN N N 15 119.097 0.14 . 1 . . . . 28 N N . 17748 1 95 . 1 1 29 29 LEU H H 1 8.643 0.05 . 1 . . . . 29 L HN . 17748 1 96 . 1 1 29 29 LEU C C 13 178.986 0.25 . 1 . . . . 29 L C . 17748 1 97 . 1 1 29 29 LEU CA C 13 54.836 0.25 . 1 . . . . 29 L CA . 17748 1 98 . 1 1 29 29 LEU CB C 13 41.456 0.25 . 1 . . . . 29 L CB . 17748 1 99 . 1 1 29 29 LEU N N 15 121.697 0.14 . 1 . . . . 29 L N . 17748 1 100 . 1 1 30 30 SER H H 1 8.466 0.05 . 1 . . . . 30 S HN . 17748 1 101 . 1 1 30 30 SER C C 13 173.386 0.25 . 1 . . . . 30 S C . 17748 1 102 . 1 1 30 30 SER CA C 13 56.596 0.25 . 1 . . . . 30 S CA . 17748 1 103 . 1 1 30 30 SER CB C 13 64.336 0.25 . 1 . . . . 30 S CB . 17748 1 104 . 1 1 30 30 SER N N 15 114.697 0.14 . 1 . . . . 30 S N . 17748 1 105 . 1 1 31 31 TYR H H 1 8.971 0.05 . 1 . . . . 31 Y HN . 17748 1 106 . 1 1 31 31 TYR C C 13 175.686 0.25 . 1 . . . . 31 Y C . 17748 1 107 . 1 1 31 31 TYR CA C 13 60.016 0.25 . 1 . . . . 31 Y CA . 17748 1 108 . 1 1 31 31 TYR CB C 13 38.476 0.25 . 1 . . . . 31 Y CB . 17748 1 109 . 1 1 31 31 TYR N N 15 127.997 0.14 . 1 . . . . 31 Y N . 17748 1 110 . 1 1 32 32 ILE H H 1 8.278 0.05 . 1 . . . . 32 I HN . 17748 1 111 . 1 1 32 32 ILE C C 13 175.486 0.25 . 1 . . . . 32 I C . 17748 1 112 . 1 1 32 32 ILE CA C 13 62.346 0.25 . 1 . . . . 32 I CA . 17748 1 113 . 1 1 32 32 ILE CB C 13 38.526 0.25 . 1 . . . . 32 I CB . 17748 1 114 . 1 1 32 32 ILE N N 15 126.997 0.14 . 1 . . . . 32 I N . 17748 1 115 . 1 1 33 33 GLY H H 1 7.141 0.05 . 1 . . . . 33 G HN . 17748 1 116 . 1 1 33 33 GLY C C 13 182.286 0.25 . 1 . . . . 33 G C . 17748 1 117 . 1 1 33 33 GLY CA C 13 45.456 0.25 . 1 . . . . 33 G CA . 17748 1 118 . 1 1 33 33 GLY N N 15 106.597 0.14 . 1 . . . . 33 G N . 17748 1 119 . 1 1 34 34 GLU H H 1 8.300 0.05 . 1 . . . . 34 E HN . 17748 1 120 . 1 1 34 34 GLU C C 13 175.586 0.25 . 1 . . . . 34 E C . 17748 1 121 . 1 1 34 34 GLU CA C 13 54.916 0.25 . 1 . . . . 34 E CA . 17748 1 122 . 1 1 34 34 GLU CB C 13 31.806 0.25 . 1 . . . . 34 E CB . 17748 1 123 . 1 1 34 34 GLU N N 15 116.897 0.14 . 1 . . . . 34 E N . 17748 1 124 . 1 1 35 35 GLY H H 1 8.076 0.05 . 1 . . . . 35 G HN . 17748 1 125 . 1 1 35 35 GLY CA C 13 43.506 0.25 . 1 . . . . 35 G CA . 17748 1 126 . 1 1 35 35 GLY N N 15 110.597 0.14 . 1 . . . . 35 G N . 17748 1 127 . 1 1 36 36 ALA C C 13 178.286 0.25 . 1 . . . . 36 A C . 17748 1 128 . 1 1 36 36 ALA CA C 13 54.146 0.25 . 1 . . . . 36 A CA . 17748 1 129 . 1 1 37 37 TYR H H 1 8.000 0.05 . 1 . . . . 37 Y HN . 17748 1 130 . 1 1 37 37 TYR C C 13 174.686 0.25 . 1 . . . . 37 Y C . 17748 1 131 . 1 1 37 37 TYR CA C 13 55.446 0.25 . 1 . . . . 37 Y CA . 17748 1 132 . 1 1 37 37 TYR CB C 13 36.656 0.25 . 1 . . . . 37 Y CB . 17748 1 133 . 1 1 37 37 TYR N N 15 112.997 0.14 . 1 . . . . 37 Y N . 17748 1 134 . 1 1 38 38 GLY H H 1 6.956 0.05 . 1 . . . . 38 G HN . 17748 1 135 . 1 1 38 38 GLY C C 13 172.686 0.25 . 1 . . . . 38 G C . 17748 1 136 . 1 1 38 38 GLY CA C 13 44.916 0.25 . 1 . . . . 38 G CA . 17748 1 137 . 1 1 38 38 GLY N N 15 106.997 0.14 . 1 . . . . 38 G N . 17748 1 138 . 1 1 39 39 MET H H 1 8.270 0.05 . 1 . . . . 39 M HN . 17748 1 139 . 1 1 39 39 MET C C 13 173.786 0.25 . 1 . . . . 39 M C . 17748 1 140 . 1 1 39 39 MET CA C 13 55.756 0.25 . 1 . . . . 39 M CA . 17748 1 141 . 1 1 39 39 MET CB C 13 35.546 0.25 . 1 . . . . 39 M CB . 17748 1 142 . 1 1 39 39 MET N N 15 121.497 0.14 . 1 . . . . 39 M N . 17748 1 143 . 1 1 40 40 VAL H H 1 9.005 0.10 . 1 . . . . 40 V HN . 17748 1 144 . 1 1 40 40 VAL C C 13 175.486 0.25 . 1 . . . . 40 V C . 17748 1 145 . 1 1 40 40 VAL CA C 13 60.636 0.25 . 1 . . . . 40 V CA . 17748 1 146 . 1 1 40 40 VAL CB C 13 32.776 0.25 . 1 . . . . 40 V CB . 17748 1 147 . 1 1 40 40 VAL N N 15 125.497 0.14 . 1 . . . . 40 V N . 17748 1 148 . 1 1 41 41 CYS H H 1 8.983 0.05 . 1 . . . . 41 C HN . 17748 1 149 . 1 1 41 41 CYS C C 13 173.786 0.25 . 1 . . . . 41 C C . 17748 1 150 . 1 1 41 41 CYS CA C 13 56.436 0.25 . 1 . . . . 41 C CA . 17748 1 151 . 1 1 41 41 CYS CB C 13 32.256 0.25 . 1 . . . . 41 C CB . 17748 1 152 . 1 1 41 41 CYS N N 15 123.497 0.14 . 1 . . . . 41 C N . 17748 1 153 . 1 1 42 42 SER H H 1 9.412 0.05 . 1 . . . . 42 S HN . 17748 1 154 . 1 1 42 42 SER CA C 13 55.526 0.25 . 1 . . . . 42 S CA . 17748 1 155 . 1 1 42 42 SER CB C 13 65.376 0.25 . 1 . . . . 42 S CB . 17748 1 156 . 1 1 42 42 SER N N 15 115.497 0.14 . 1 . . . . 42 S N . 17748 1 157 . 1 1 43 43 ALA C C 13 174.386 0.25 . 1 . . . . 43 A C . 17748 1 158 . 1 1 43 43 ALA CA C 13 50.396 0.25 . 1 . . . . 43 A CA . 17748 1 159 . 1 1 43 43 ALA CB C 13 23.926 0.25 . 1 . . . . 43 A CB . 17748 1 160 . 1 1 44 44 TYR H H 1 9.668 0.05 . 1 . . . . 44 Y HN . 17748 1 161 . 1 1 44 44 TYR CA C 13 57.936 0.25 . 1 . . . . 44 Y CA . 17748 1 162 . 1 1 44 44 TYR CB C 13 38.716 0.25 . 1 . . . . 44 Y CB . 17748 1 163 . 1 1 44 44 TYR N N 15 122.597 0.14 . 1 . . . . 44 Y N . 17748 1 164 . 1 1 46 46 ASN C C 13 175.386 0.25 . 1 . . . . 46 N C . 17748 1 165 . 1 1 46 46 ASN CB C 13 39.186 0.25 . 1 . . . . 46 N CB . 17748 1 166 . 1 1 47 47 LEU H H 1 8.363 0.05 . 1 . . . . 47 L HN . 17748 1 167 . 1 1 47 47 LEU C C 13 177.586 0.25 . 1 . . . . 47 L C . 17748 1 168 . 1 1 47 47 LEU CA C 13 56.606 0.25 . 1 . . . . 47 L CA . 17748 1 169 . 1 1 47 47 LEU CB C 13 40.776 0.25 . 1 . . . . 47 L CB . 17748 1 170 . 1 1 47 47 LEU N N 15 120.897 0.14 . 1 . . . . 47 L N . 17748 1 171 . 1 1 48 48 ASN H H 1 6.661 0.05 . 1 . . . . 48 N HN . 17748 1 172 . 1 1 48 48 ASN C C 13 174.186 0.25 . 1 . . . . 48 N C . 17748 1 173 . 1 1 48 48 ASN CA C 13 52.596 0.25 . 1 . . . . 48 N CA . 17748 1 174 . 1 1 48 48 ASN CB C 13 38.556 0.25 . 1 . . . . 48 N CB . 17748 1 175 . 1 1 48 48 ASN N N 15 115.197 0.14 . 1 . . . . 48 N N . 17748 1 176 . 1 1 49 49 LYS H H 1 8.013 0.05 . 1 . . . . 49 K HN . 17748 1 177 . 1 1 49 49 LYS C C 13 175.186 0.25 . 1 . . . . 49 K C . 17748 1 178 . 1 1 49 49 LYS CA C 13 56.396 0.25 . 1 . . . . 49 K CA . 17748 1 179 . 1 1 49 49 LYS CB C 13 27.116 0.25 . 1 . . . . 49 K CB . 17748 1 180 . 1 1 49 49 LYS N N 15 118.097 0.14 . 1 . . . . 49 K N . 17748 1 181 . 1 1 50 50 VAL H H 1 6.716 0.05 . 1 . . . . 50 V HN . 17748 1 182 . 1 1 50 50 VAL C C 13 173.986 0.25 . 1 . . . . 50 V C . 17748 1 183 . 1 1 50 50 VAL CA C 13 58.486 0.25 . 1 . . . . 50 V CA . 17748 1 184 . 1 1 50 50 VAL CB C 13 35.206 0.25 . 1 . . . . 50 V CB . 17748 1 185 . 1 1 50 50 VAL N N 15 112.497 0.14 . 1 . . . . 50 V N . 17748 1 186 . 1 1 51 51 ARG H H 1 8.474 0.05 . 1 . . . . 51 R HN . 17748 1 187 . 1 1 51 51 ARG CA C 13 55.766 0.25 . 1 . . . . 51 R CA . 17748 1 188 . 1 1 51 51 ARG CB C 13 30.046 0.25 . 1 . . . . 51 R CB . 17748 1 189 . 1 1 51 51 ARG N N 15 122.597 0.14 . 1 . . . . 51 R N . 17748 1 190 . 1 1 55 55 LYS C C 13 174.886 0.25 . 1 . . . . 55 K C . 17748 1 191 . 1 1 55 55 LYS CA C 13 53.656 0.25 . 1 . . . . 55 K CA . 17748 1 192 . 1 1 56 56 LYS H H 1 8.972 0.05 . 1 . . . . 56 K HN . 17748 1 193 . 1 1 56 56 LYS CA C 13 55.096 0.25 . 1 . . . . 56 K CA . 17748 1 194 . 1 1 56 56 LYS N N 15 127.297 0.14 . 1 . . . . 56 K N . 17748 1 195 . 1 1 59 59 PRO C C 13 177.186 0.25 . 1 . . . . 59 P C . 17748 1 196 . 1 1 59 59 PRO CA C 13 63.386 0.25 . 1 . . . . 59 P CA . 17748 1 197 . 1 1 59 59 PRO CB C 13 32.706 0.25 . 1 . . . . 59 P CB . 17748 1 198 . 1 1 60 60 PHE H H 1 7.925 0.05 . 1 . . . . 60 F HN . 17748 1 199 . 1 1 60 60 PHE C C 13 176.186 0.25 . 1 . . . . 60 F C . 17748 1 200 . 1 1 60 60 PHE CA C 13 61.426 0.25 . 1 . . . . 60 F CA . 17748 1 201 . 1 1 60 60 PHE CB C 13 36.736 0.25 . 1 . . . . 60 F CB . 17748 1 202 . 1 1 60 60 PHE N N 15 115.497 0.14 . 1 . . . . 60 F N . 17748 1 203 . 1 1 61 61 GLU H H 1 8.607 0.05 . 1 . . . . 61 E HN . 17748 1 204 . 1 1 61 61 GLU C C 13 175.986 0.25 . 1 . . . . 61 E C . 17748 1 205 . 1 1 61 61 GLU CA C 13 56.496 0.25 . 1 . . . . 61 E CA . 17748 1 206 . 1 1 61 61 GLU CB C 13 28.586 0.25 . 1 . . . . 61 E CB . 17748 1 207 . 1 1 61 61 GLU N N 15 116.797 0.14 . 1 . . . . 61 E N . 17748 1 208 . 1 1 62 62 HIS H H 1 7.737 0.05 . 1 . . . . 62 H HN . 17748 1 209 . 1 1 62 62 HIS CA C 13 54.586 0.25 . 1 . . . . 62 H CA . 17748 1 210 . 1 1 62 62 HIS CB C 13 32.576 0.25 . 1 . . . . 62 H CB . 17748 1 211 . 1 1 62 62 HIS N N 15 116.997 0.14 . 1 . . . . 62 H N . 17748 1 212 . 1 1 65 65 TYR C C 13 180.186 0.25 . 1 . . . . 65 Y C . 17748 1 213 . 1 1 65 65 TYR CA C 13 57.436 0.25 . 1 . . . . 65 Y CA . 17748 1 214 . 1 1 66 66 CYS H H 1 8.290 0.05 . 1 . . . . 66 C HN . 17748 1 215 . 1 1 66 66 CYS C C 13 176.186 0.25 . 1 . . . . 66 C C . 17748 1 216 . 1 1 66 66 CYS CA C 13 64.646 0.25 . 1 . . . . 66 C CA . 17748 1 217 . 1 1 66 66 CYS CB C 13 27.626 0.25 . 1 . . . . 66 C CB . 17748 1 218 . 1 1 66 66 CYS N N 15 121.197 0.14 . 1 . . . . 66 C N . 17748 1 219 . 1 1 67 67 GLN H H 1 8.405 0.05 . 1 . . . . 67 Q HN . 17748 1 220 . 1 1 67 67 GLN C C 13 177.186 0.25 . 1 . . . . 67 Q C . 17748 1 221 . 1 1 67 67 GLN CA C 13 59.876 0.25 . 1 . . . . 67 Q CA . 17748 1 222 . 1 1 67 67 GLN CB C 13 27.946 0.25 . 1 . . . . 67 Q CB . 17748 1 223 . 1 1 67 67 GLN N N 15 119.897 0.14 . 1 . . . . 67 Q N . 17748 1 224 . 1 1 68 68 ARG H H 1 7.819 0.05 . 1 . . . . 68 R HN . 17748 1 225 . 1 1 68 68 ARG C C 13 178.786 0.25 . 1 . . . . 68 R C . 17748 1 226 . 1 1 68 68 ARG CA C 13 58.896 0.25 . 1 . . . . 68 R CA . 17748 1 227 . 1 1 68 68 ARG N N 15 117.697 0.14 . 1 . . . . 68 R N . 17748 1 228 . 1 1 69 69 THR H H 1 7.688 0.05 . 1 . . . . 69 T HN . 17748 1 229 . 1 1 69 69 THR C C 13 175.186 0.25 . 1 . . . . 69 T C . 17748 1 230 . 1 1 69 69 THR CA C 13 66.696 0.25 . 1 . . . . 69 T CA . 17748 1 231 . 1 1 69 69 THR CB C 13 68.006 0.25 . 1 . . . . 69 T CB . 17748 1 232 . 1 1 69 69 THR N N 15 115.097 0.14 . 1 . . . . 69 T N . 17748 1 233 . 1 1 70 70 LEU H H 1 7.984 0.05 . 1 . . . . 70 L HN . 17748 1 234 . 1 1 70 70 LEU C C 13 177.386 0.25 . 1 . . . . 70 L C . 17748 1 235 . 1 1 70 70 LEU CA C 13 57.546 0.25 . 1 . . . . 70 L CA . 17748 1 236 . 1 1 70 70 LEU CB C 13 40.006 0.25 . 1 . . . . 70 L CB . 17748 1 237 . 1 1 70 70 LEU N N 15 120.397 0.14 . 1 . . . . 70 L N . 17748 1 238 . 1 1 71 71 ARG H H 1 8.260 0.05 . 1 . . . . 71 R HN . 17748 1 239 . 1 1 71 71 ARG CA C 13 60.496 0.25 . 1 . . . . 71 R CA . 17748 1 240 . 1 1 71 71 ARG CB C 13 29.716 0.25 . 1 . . . . 71 R CB . 17748 1 241 . 1 1 71 71 ARG N N 15 117.797 0.14 . 1 . . . . 71 R N . 17748 1 242 . 1 1 76 76 LEU C C 13 180.686 0.25 . 1 . . . . 76 L C . 17748 1 243 . 1 1 77 77 LEU H H 1 7.909 0.05 . 1 . . . . 77 L HN . 17748 1 244 . 1 1 77 77 LEU C C 13 178.886 0.25 . 1 . . . . 77 L C . 17748 1 245 . 1 1 77 77 LEU CA C 13 56.406 0.25 . 1 . . . . 77 L CA . 17748 1 246 . 1 1 77 77 LEU N N 15 115.397 0.14 . 1 . . . . 77 L N . 17748 1 247 . 1 1 78 78 ARG H H 1 7.285 0.05 . 1 . . . . 78 R HN . 17748 1 248 . 1 1 78 78 ARG C C 13 176.686 0.25 . 1 . . . . 78 R C . 17748 1 249 . 1 1 78 78 ARG CA C 13 55.866 0.25 . 1 . . . . 78 R CA . 17748 1 250 . 1 1 78 78 ARG CB C 13 29.886 0.25 . 1 . . . . 78 R CB . 17748 1 251 . 1 1 78 78 ARG N N 15 119.297 0.14 . 1 . . . . 78 R N . 17748 1 252 . 1 1 79 79 PHE H H 1 7.946 0.05 . 1 . . . . 79 F HN . 17748 1 253 . 1 1 79 79 PHE C C 13 175.286 0.25 . 1 . . . . 79 F C . 17748 1 254 . 1 1 79 79 PHE CA C 13 53.866 0.25 . 1 . . . . 79 F CA . 17748 1 255 . 1 1 79 79 PHE CB C 13 38.506 0.25 . 1 . . . . 79 F CB . 17748 1 256 . 1 1 79 79 PHE N N 15 120.997 0.14 . 1 . . . . 79 F N . 17748 1 257 . 1 1 80 80 ARG H H 1 7.635 0.05 . 1 . . . . 80 R HN . 17748 1 258 . 1 1 80 80 ARG C C 13 173.386 0.25 . 1 . . . . 80 R C . 17748 1 259 . 1 1 80 80 ARG CA C 13 55.206 0.25 . 1 . . . . 80 R CA . 17748 1 260 . 1 1 80 80 ARG CB C 13 30.386 0.25 . 1 . . . . 80 R CB . 17748 1 261 . 1 1 80 80 ARG N N 15 119.697 0.14 . 1 . . . . 80 R N . 17748 1 262 . 1 1 81 81 HIS H H 1 9.008 0.05 . 1 . . . . 81 H HN . 17748 1 263 . 1 1 81 81 HIS C C 13 175.286 0.25 . 1 . . . . 81 H C . 17748 1 264 . 1 1 81 81 HIS CA C 13 57.496 0.25 . 1 . . . . 81 H CA . 17748 1 265 . 1 1 81 81 HIS CB C 13 32.826 0.25 . 1 . . . . 81 H CB . 17748 1 266 . 1 1 81 81 HIS N N 15 126.797 0.14 . 1 . . . . 81 H N . 17748 1 267 . 1 1 82 82 GLU H H 1 8.120 0.05 . 1 . . . . 82 E HN . 17748 1 268 . 1 1 82 82 GLU C C 13 177.786 0.25 . 1 . . . . 82 E C . 17748 1 269 . 1 1 82 82 GLU CA C 13 59.126 0.25 . 1 . . . . 82 E CA . 17748 1 270 . 1 1 82 82 GLU CB C 13 29.406 0.25 . 1 . . . . 82 E CB . 17748 1 271 . 1 1 82 82 GLU N N 15 126.097 0.14 . 1 . . . . 82 E N . 17748 1 272 . 1 1 83 83 ASN H H 1 11.554 0.05 . 1 . . . . 83 N HN . 17748 1 273 . 1 1 83 83 ASN C C 13 173.786 0.25 . 1 . . . . 83 N C . 17748 1 274 . 1 1 83 83 ASN CA C 13 53.776 0.25 . 1 . . . . 83 N CA . 17748 1 275 . 1 1 83 83 ASN CB C 13 39.816 0.25 . 1 . . . . 83 N CB . 17748 1 276 . 1 1 83 83 ASN N N 15 118.897 0.14 . 1 . . . . 83 N N . 17748 1 277 . 1 1 84 84 ILE H H 1 7.807 0.05 . 1 . . . . 84 I HN . 17748 1 278 . 1 1 84 84 ILE CA C 13 60.516 0.25 . 1 . . . . 84 I CA . 17748 1 279 . 1 1 84 84 ILE CB C 13 40.016 0.25 . 1 . . . . 84 I CB . 17748 1 280 . 1 1 84 84 ILE N N 15 120.897 0.14 . 1 . . . . 84 I N . 17748 1 281 . 1 1 86 86 GLY C C 13 174.686 0.25 . 1 . . . . 86 G C . 17748 1 282 . 1 1 86 86 GLY CA C 13 43.486 0.25 . 1 . . . . 86 G CA . 17748 1 283 . 1 1 87 87 ILE H H 1 8.549 0.05 . 1 . . . . 87 I HN . 17748 1 284 . 1 1 87 87 ILE C C 13 174.586 0.25 . 1 . . . . 87 I C . 17748 1 285 . 1 1 87 87 ILE CA C 13 61.796 0.25 . 1 . . . . 87 I CA . 17748 1 286 . 1 1 87 87 ILE CB C 13 39.376 0.25 . 1 . . . . 87 I CB . 17748 1 287 . 1 1 87 87 ILE N N 15 119.297 0.14 . 1 . . . . 87 I N . 17748 1 288 . 1 1 88 88 ASN H H 1 8.873 0.05 . 1 . . . . 88 N HN . 17748 1 289 . 1 1 88 88 ASN C C 13 174.686 0.25 . 1 . . . . 88 N C . 17748 1 290 . 1 1 88 88 ASN CA C 13 53.256 0.25 . 1 . . . . 88 N CA . 17748 1 291 . 1 1 88 88 ASN N N 15 125.297 0.14 . 1 . . . . 88 N N . 17748 1 292 . 1 1 89 89 ASP H H 1 7.474 0.05 . 1 . . . . 89 D HN . 17748 1 293 . 1 1 89 89 ASP C C 13 173.486 0.25 . 1 . . . . 89 D C . 17748 1 294 . 1 1 89 89 ASP CA C 13 52.456 0.25 . 1 . . . . 89 D CA . 17748 1 295 . 1 1 89 89 ASP CB C 13 41.106 0.25 . 1 . . . . 89 D CB . 17748 1 296 . 1 1 89 89 ASP N N 15 117.297 0.14 . 1 . . . . 89 D N . 17748 1 297 . 1 1 90 90 ILE H H 1 7.337 0.05 . 1 . . . . 90 I HN . 17748 1 298 . 1 1 90 90 ILE CA C 13 60.646 0.25 . 1 . . . . 90 I CA . 17748 1 299 . 1 1 90 90 ILE CB C 13 40.506 0.25 . 1 . . . . 90 I CB . 17748 1 300 . 1 1 90 90 ILE N N 15 121.197 0.14 . 1 . . . . 90 I N . 17748 1 301 . 1 1 91 91 ILE C C 13 175.386 0.25 . 1 . . . . 91 I C . 17748 1 302 . 1 1 91 91 ILE CA C 13 59.696 0.25 . 1 . . . . 91 I CA . 17748 1 303 . 1 1 91 91 ILE CB C 13 40.136 0.25 . 1 . . . . 91 I CB . 17748 1 304 . 1 1 92 92 ARG H H 1 7.960 0.05 . 1 . . . . 92 R HN . 17748 1 305 . 1 1 92 92 ARG C C 13 175.286 0.25 . 1 . . . . 92 R C . 17748 1 306 . 1 1 92 92 ARG CA C 13 54.296 0.25 . 1 . . . . 92 R CA . 17748 1 307 . 1 1 92 92 ARG CB C 13 31.926 0.25 . 1 . . . . 92 R CB . 17748 1 308 . 1 1 92 92 ARG N N 15 117.597 0.14 . 1 . . . . 92 R N . 17748 1 309 . 1 1 93 93 ALA H H 1 8.824 0.05 . 1 . . . . 93 A HN . 17748 1 310 . 1 1 93 93 ALA CA C 13 50.966 0.25 . 1 . . . . 93 A CA . 17748 1 311 . 1 1 93 93 ALA CB C 13 18.076 0.25 . 1 . . . . 93 A CB . 17748 1 312 . 1 1 93 93 ALA N N 15 122.497 0.14 . 1 . . . . 93 A N . 17748 1 313 . 1 1 94 94 PRO C C 13 177.386 0.25 . 1 . . . . 94 P C . 17748 1 314 . 1 1 94 94 PRO CA C 13 64.476 0.25 . 1 . . . . 94 P CA . 17748 1 315 . 1 1 95 95 THR H H 1 6.855 0.05 . 1 . . . . 95 T HN . 17748 1 316 . 1 1 95 95 THR C C 13 174.786 0.25 . 1 . . . . 95 T C . 17748 1 317 . 1 1 95 95 THR CA C 13 58.206 0.25 . 1 . . . . 95 T CA . 17748 1 318 . 1 1 95 95 THR CB C 13 71.386 0.25 . 1 . . . . 95 T CB . 17748 1 319 . 1 1 95 95 THR N N 15 104.697 0.14 . 1 . . . . 95 T N . 17748 1 320 . 1 1 96 96 ILE H H 1 8.250 0.05 . 1 . . . . 96 I HN . 17748 1 321 . 1 1 96 96 ILE C C 13 177.286 0.25 . 1 . . . . 96 I C . 17748 1 322 . 1 1 96 96 ILE CA C 13 64.996 0.25 . 1 . . . . 96 I CA . 17748 1 323 . 1 1 96 96 ILE CB C 13 36.266 0.25 . 1 . . . . 96 I CB . 17748 1 324 . 1 1 96 96 ILE N N 15 124.497 0.14 . 1 . . . . 96 I N . 17748 1 325 . 1 1 97 97 GLU H H 1 8.581 0.05 . 1 . . . . 97 E HN . 17748 1 326 . 1 1 97 97 GLU C C 13 178.486 0.25 . 1 . . . . 97 E C . 17748 1 327 . 1 1 97 97 GLU CA C 13 58.706 0.25 . 1 . . . . 97 E CA . 17748 1 328 . 1 1 97 97 GLU CB C 13 27.266 0.25 . 1 . . . . 97 E CB . 17748 1 329 . 1 1 97 97 GLU N N 15 120.197 0.14 . 1 . . . . 97 E N . 17748 1 330 . 1 1 98 98 GLN H H 1 6.989 0.05 . 1 . . . . 98 Q HN . 17748 1 331 . 1 1 98 98 GLN C C 13 175.386 0.25 . 1 . . . . 98 Q C . 17748 1 332 . 1 1 98 98 GLN CA C 13 55.156 0.25 . 1 . . . . 98 Q CA . 17748 1 333 . 1 1 98 98 GLN CB C 13 30.076 0.25 . 1 . . . . 98 Q CB . 17748 1 334 . 1 1 98 98 GLN N N 15 114.797 0.14 . 1 . . . . 98 Q N . 17748 1 335 . 1 1 99 99 MET H H 1 7.250 0.05 . 1 . . . . 99 M HN . 17748 1 336 . 1 1 99 99 MET CA C 13 55.736 0.25 . 1 . . . . 99 M CA . 17748 1 337 . 1 1 99 99 MET CB C 13 31.476 0.25 . 1 . . . . 99 M CB . 17748 1 338 . 1 1 99 99 MET N N 15 121.597 0.14 . 1 . . . . 99 M N . 17748 1 339 . 1 1 100 100 LYS C C 13 174.886 0.25 . 1 . . . . 100 K C . 17748 1 340 . 1 1 101 101 ASP H H 1 7.641 0.05 . 1 . . . . 101 D HN . 17748 1 341 . 1 1 101 101 ASP C C 13 174.586 0.25 . 1 . . . . 101 D C . 17748 1 342 . 1 1 101 101 ASP CA C 13 51.476 0.25 . 1 . . . . 101 D CA . 17748 1 343 . 1 1 101 101 ASP CB C 13 45.156 0.25 . 1 . . . . 101 D CB . 17748 1 344 . 1 1 101 101 ASP N N 15 116.197 0.14 . 1 . . . . 101 D N . 17748 1 345 . 1 1 102 102 VAL H H 1 9.052 0.05 . 1 . . . . 102 V HN . 17748 1 346 . 1 1 102 102 VAL CA C 13 60.506 0.25 . 1 . . . . 102 V CA . 17748 1 347 . 1 1 102 102 VAL CB C 13 34.116 0.25 . 1 . . . . 102 V CB . 17748 1 348 . 1 1 102 102 VAL N N 15 118.997 0.14 . 1 . . . . 102 V N . 17748 1 349 . 1 1 105 105 VAL C C 13 175.486 0.25 . 1 . . . . 105 V C . 17748 1 350 . 1 1 105 105 VAL CA C 13 60.946 0.25 . 1 . . . . 105 V CA . 17748 1 351 . 1 1 106 106 GLN H H 1 9.434 0.05 . 1 . . . . 106 Q HN . 17748 1 352 . 1 1 106 106 GLN C C 13 173.586 0.25 . 1 . . . . 106 Q C . 17748 1 353 . 1 1 106 106 GLN CA C 13 53.146 0.25 . 1 . . . . 106 Q CA . 17748 1 354 . 1 1 106 106 GLN N N 15 126.597 0.14 . 1 . . . . 106 Q N . 17748 1 355 . 1 1 107 107 ASP H H 1 8.647 0.05 . 1 . . . . 107 D HN . 17748 1 356 . 1 1 107 107 ASP CA C 13 54.736 0.25 . 1 . . . . 107 D CA . 17748 1 357 . 1 1 107 107 ASP CB C 13 40.106 0.25 . 1 . . . . 107 D CB . 17748 1 358 . 1 1 107 107 ASP N N 15 120.397 0.14 . 1 . . . . 107 D N . 17748 1 359 . 1 1 109 109 MET C C 13 176.286 0.25 . 1 . . . . 109 M C . 17748 1 360 . 1 1 109 109 MET CA C 13 52.456 0.25 . 1 . . . . 109 M CA . 17748 1 361 . 1 1 110 110 GLU H H 1 8.943 0.05 . 1 . . . . 110 E HN . 17748 1 362 . 1 1 110 110 GLU C C 13 176.386 0.25 . 1 . . . . 110 E C . 17748 1 363 . 1 1 110 110 GLU CA C 13 59.616 0.25 . 1 . . . . 110 E CA . 17748 1 364 . 1 1 110 110 GLU CB C 13 30.006 0.25 . 1 . . . . 110 E CB . 17748 1 365 . 1 1 110 110 GLU N N 15 123.397 0.14 . 1 . . . . 110 E N . 17748 1 366 . 1 1 111 111 THR H H 1 8.390 0.05 . 1 . . . . 111 T HN . 17748 1 367 . 1 1 111 111 THR C C 13 172.986 0.25 . 1 . . . . 111 T C . 17748 1 368 . 1 1 111 111 THR CA C 13 58.966 0.25 . 1 . . . . 111 T CA . 17748 1 369 . 1 1 111 111 THR CB C 13 68.606 0.25 . 1 . . . . 111 T CB . 17748 1 370 . 1 1 111 111 THR N N 15 112.997 0.14 . 1 . . . . 111 T N . 17748 1 371 . 1 1 112 112 ASP H H 1 8.870 0.05 . 1 . . . . 112 D HN . 17748 1 372 . 1 1 112 112 ASP CA C 13 53.076 0.25 . 1 . . . . 112 D CA . 17748 1 373 . 1 1 112 112 ASP CB C 13 43.966 0.25 . 1 . . . . 112 D CB . 17748 1 374 . 1 1 112 112 ASP N N 15 119.597 0.14 . 1 . . . . 112 D N . 17748 1 375 . 1 1 114 114 TYR C C 13 177.586 0.25 . 1 . . . . 114 Y C . 17748 1 376 . 1 1 114 114 TYR CA C 13 60.376 0.25 . 1 . . . . 114 Y CA . 17748 1 377 . 1 1 115 115 LYS H H 1 8.780 0.1 . 1 . . . . 115 K HN . 17748 1 378 . 1 1 115 115 LYS C C 13 180.786 0.25 . 1 . . . . 115 K C . 17748 1 379 . 1 1 115 115 LYS CA C 13 59.226 0.25 . 1 . . . . 115 K CA . 17748 1 380 . 1 1 115 115 LYS CB C 13 31.576 0.25 . 1 . . . . 115 K CB . 17748 1 381 . 1 1 115 115 LYS N N 15 120.997 0.14 . 1 . . . . 115 K N . 17748 1 382 . 1 1 116 116 LEU H H 1 8.309 0.05 . 1 . . . . 116 L HN . 17748 1 383 . 1 1 116 116 LEU C C 13 179.386 0.25 . 1 . . . . 116 L C . 17748 1 384 . 1 1 116 116 LEU CA C 13 58.076 0.25 . 1 . . . . 116 L CA . 17748 1 385 . 1 1 116 116 LEU CB C 13 41.676 0.25 . 1 . . . . 116 L CB . 17748 1 386 . 1 1 116 116 LEU N N 15 121.797 0.14 . 1 . . . . 116 L N . 17748 1 387 . 1 1 117 117 LEU H H 1 7.987 0.1 . 1 . . . . 117 L HN . 17748 1 388 . 1 1 117 117 LEU C C 13 179.086 0.25 . 1 . . . . 117 L C . 17748 1 389 . 1 1 117 117 LEU CA C 13 55.856 0.25 . 1 . . . . 117 L CA . 17748 1 390 . 1 1 117 117 LEU CB C 13 40.366 0.25 . 1 . . . . 117 L CB . 17748 1 391 . 1 1 117 117 LEU N N 15 116.497 0.14 . 1 . . . . 117 L N . 17748 1 392 . 1 1 118 118 LYS H H 1 7.280 0.05 . 1 . . . . 118 K HN . 17748 1 393 . 1 1 118 118 LYS C C 13 178.186 0.25 . 1 . . . . 118 K C . 17748 1 394 . 1 1 118 118 LYS CA C 13 57.166 0.25 . 1 . . . . 118 K CA . 17748 1 395 . 1 1 118 118 LYS CB C 13 31.496 0.25 . 1 . . . . 118 K CB . 17748 1 396 . 1 1 118 118 LYS N N 15 116.597 0.14 . 1 . . . . 118 K N . 17748 1 397 . 1 1 119 119 THR H H 1 7.464 0.1 . 1 . . . . 119 T HN . 17748 1 398 . 1 1 119 119 THR C C 13 174.286 0.25 . 1 . . . . 119 T C . 17748 1 399 . 1 1 119 119 THR CA C 13 61.786 0.25 . 1 . . . . 119 T CA . 17748 1 400 . 1 1 119 119 THR CB C 13 70.946 0.25 . 1 . . . . 119 T CB . 17748 1 401 . 1 1 119 119 THR N N 15 106.997 0.14 . 1 . . . . 119 T N . 17748 1 402 . 1 1 120 120 GLN H H 1 8.195 0.05 . 1 . . . . 120 Q HN . 17748 1 403 . 1 1 120 120 GLN C C 13 173.786 0.25 . 1 . . . . 120 Q C . 17748 1 404 . 1 1 120 120 GLN CA C 13 54.676 0.25 . 1 . . . . 120 Q CA . 17748 1 405 . 1 1 120 120 GLN CB C 13 31.196 0.25 . 1 . . . . 120 Q CB . 17748 1 406 . 1 1 120 120 GLN N N 15 121.097 0.14 . 1 . . . . 120 Q N . 17748 1 407 . 1 1 121 121 HIS H H 1 8.424 0.1 . 1 . . . . 121 H HN . 17748 1 408 . 1 1 121 121 HIS C C 13 175.286 0.25 . 1 . . . . 121 H C . 17748 1 409 . 1 1 121 121 HIS CA C 13 54.186 0.25 . 1 . . . . 121 H CA . 17748 1 410 . 1 1 121 121 HIS CB C 13 28.546 0.25 . 1 . . . . 121 H CB . 17748 1 411 . 1 1 121 121 HIS N N 15 119.997 0.14 . 1 . . . . 121 H N . 17748 1 412 . 1 1 122 122 LEU H H 1 9.421 0.05 . 1 . . . . 122 L HN . 17748 1 413 . 1 1 122 122 LEU C C 13 177.086 0.25 . 1 . . . . 122 L C . 17748 1 414 . 1 1 122 122 LEU CA C 13 54.056 0.25 . 1 . . . . 122 L CA . 17748 1 415 . 1 1 122 122 LEU CB C 13 42.366 0.25 . 1 . . . . 122 L CB . 17748 1 416 . 1 1 122 122 LEU N N 15 126.997 0.14 . 1 . . . . 122 L N . 17748 1 417 . 1 1 123 123 SER H H 1 8.862 0.05 . 1 . . . . 123 S HN . 17748 1 418 . 1 1 123 123 SER CA C 13 56.786 0.25 . 1 . . . . 123 S CA . 17748 1 419 . 1 1 123 123 SER CB C 13 64.196 0.25 . 1 . . . . 123 S CB . 17748 1 420 . 1 1 123 123 SER N N 15 118.397 0.14 . 1 . . . . 123 S N . 17748 1 421 . 1 1 124 124 ASN C C 13 176.786 0.25 . 1 . . . . 124 N C . 17748 1 422 . 1 1 124 124 ASN CA C 13 56.956 0.25 . 1 . . . . 124 N CA . 17748 1 423 . 1 1 124 124 ASN CB C 13 38.486 0.25 . 1 . . . . 124 N CB . 17748 1 424 . 1 1 125 125 ASP H H 1 8.222 0.05 . 1 . . . . 125 D HN . 17748 1 425 . 1 1 125 125 ASP C C 13 178.886 0.25 . 1 . . . . 125 D C . 17748 1 426 . 1 1 125 125 ASP CA C 13 56.676 0.25 . 1 . . . . 125 D CA . 17748 1 427 . 1 1 125 125 ASP CB C 13 39.646 0.25 . 1 . . . . 125 D CB . 17748 1 428 . 1 1 125 125 ASP N N 15 115.997 0.14 . 1 . . . . 125 D N . 17748 1 429 . 1 1 126 126 HIS H H 1 7.595 0.05 . 1 . . . . 126 H HN . 17748 1 430 . 1 1 126 126 HIS C C 13 176.386 0.25 . 1 . . . . 126 H C . 17748 1 431 . 1 1 126 126 HIS CA C 13 58.956 0.25 . 1 . . . . 126 H CA . 17748 1 432 . 1 1 126 126 HIS CB C 13 30.336 0.25 . 1 . . . . 126 H CB . 17748 1 433 . 1 1 126 126 HIS N N 15 120.397 0.14 . 1 . . . . 126 H N . 17748 1 434 . 1 1 127 127 ILE H H 1 8.097 0.05 . 1 . . . . 127 I HN . 17748 1 435 . 1 1 127 127 ILE C C 13 177.086 0.25 . 1 . . . . 127 I C . 17748 1 436 . 1 1 127 127 ILE CA C 13 66.026 0.25 . 1 . . . . 127 I CA . 17748 1 437 . 1 1 127 127 ILE CB C 13 37.296 0.25 . 1 . . . . 127 I CB . 17748 1 438 . 1 1 127 127 ILE N N 15 119.997 0.14 . 1 . . . . 127 I N . 17748 1 439 . 1 1 128 128 CYS H H 1 7.965 0.05 . 1 . . . . 128 C HN . 17748 1 440 . 1 1 128 128 CYS C C 13 175.586 0.25 . 1 . . . . 128 C C . 17748 1 441 . 1 1 128 128 CYS CA C 13 62.686 0.25 . 1 . . . . 128 C CA . 17748 1 442 . 1 1 128 128 CYS CB C 13 26.686 0.25 . 1 . . . . 128 C CB . 17748 1 443 . 1 1 128 128 CYS N N 15 118.397 0.14 . 1 . . . . 128 C N . 17748 1 444 . 1 1 129 129 TYR H H 1 7.478 0.05 . 1 . . . . 129 Y HN . 17748 1 445 . 1 1 129 129 TYR CA C 13 58.676 0.25 . 1 . . . . 129 Y CA . 17748 1 446 . 1 1 129 129 TYR CB C 13 37.606 0.25 . 1 . . . . 129 Y CB . 17748 1 447 . 1 1 129 129 TYR N N 15 116.697 0.14 . 1 . . . . 129 Y N . 17748 1 448 . 1 1 143 143 SER C C 13 175.386 0.25 . 1 . . . . 143 S C . 17748 1 449 . 1 1 143 143 SER CA C 13 61.206 0.25 . 1 . . . . 143 S CA . 17748 1 450 . 1 1 144 144 ALA H H 1 7.462 0.05 . 1 . . . . 144 A HN . 17748 1 451 . 1 1 144 144 ALA C C 13 176.086 0.25 . 1 . . . . 144 A C . 17748 1 452 . 1 1 144 144 ALA CA C 13 51.186 0.25 . 1 . . . . 144 A CA . 17748 1 453 . 1 1 144 144 ALA CB C 13 17.786 0.25 . 1 . . . . 144 A CB . 17748 1 454 . 1 1 144 144 ALA N N 15 126.397 0.14 . 1 . . . . 144 A N . 17748 1 455 . 1 1 145 145 ASN H H 1 8.469 0.05 . 1 . . . . 145 N HN . 17748 1 456 . 1 1 145 145 ASN C C 13 173.086 0.25 . 1 . . . . 145 N C . 17748 1 457 . 1 1 145 145 ASN CA C 13 53.636 0.25 . 1 . . . . 145 N CA . 17748 1 458 . 1 1 145 145 ASN CB C 13 37.286 0.25 . 1 . . . . 145 N CB . 17748 1 459 . 1 1 145 145 ASN N N 15 115.697 0.14 . 1 . . . . 145 N N . 17748 1 460 . 1 1 146 146 VAL H H 1 7.563 0.05 . 1 . . . . 146 V HN . 17748 1 461 . 1 1 146 146 VAL C C 13 172.386 0.25 . 1 . . . . 146 V C . 17748 1 462 . 1 1 146 146 VAL CA C 13 61.036 0.25 . 1 . . . . 146 V CA . 17748 1 463 . 1 1 146 146 VAL CB C 13 33.506 0.25 . 1 . . . . 146 V CB . 17748 1 464 . 1 1 146 146 VAL N N 15 118.997 0.14 . 1 . . . . 146 V N . 17748 1 465 . 1 1 147 147 LEU H H 1 8.677 0.05 . 1 . . . . 147 L HN . 17748 1 466 . 1 1 147 147 LEU CA C 13 51.906 0.25 . 1 . . . . 147 L CA . 17748 1 467 . 1 1 147 147 LEU N N 15 121.697 0.14 . 1 . . . . 147 L N . 17748 1 468 . 1 1 153 153 PRO C C 13 176.386 0.25 . 1 . . . . 153 P C . 17748 1 469 . 1 1 153 153 PRO CA C 13 66.696 0.25 . 1 . . . . 153 P CA . 17748 1 470 . 1 1 154 154 SER H H 1 8.384 0.05 . 1 . . . . 154 S HN . 17748 1 471 . 1 1 154 154 SER C C 13 173.586 0.25 . 1 . . . . 154 S C . 17748 1 472 . 1 1 154 154 SER CA C 13 60.496 0.25 . 1 . . . . 154 S CA . 17748 1 473 . 1 1 154 154 SER CB C 13 61.626 0.25 . 1 . . . . 154 S CB . 17748 1 474 . 1 1 154 154 SER N N 15 109.297 0.14 . 1 . . . . 154 S N . 17748 1 475 . 1 1 155 155 ASN H H 1 7.422 0.05 . 1 . . . . 155 N HN . 17748 1 476 . 1 1 155 155 ASN CA C 13 52.006 0.25 . 1 . . . . 155 N CA . 17748 1 477 . 1 1 155 155 ASN N N 15 117.997 0.14 . 1 . . . . 155 N N . 17748 1 478 . 1 1 156 156 LEU C C 13 174.886 0.25 . 1 . . . . 156 L C . 17748 1 479 . 1 1 157 157 LEU H H 1 8.547 0.05 . 1 . . . . 157 L HN . 17748 1 480 . 1 1 157 157 LEU C C 13 173.786 0.25 . 1 . . . . 157 L C . 17748 1 481 . 1 1 157 157 LEU CA C 13 54.686 0.25 . 1 . . . . 157 L CA . 17748 1 482 . 1 1 157 157 LEU N N 15 122.197 0.14 . 1 . . . . 157 L N . 17748 1 483 . 1 1 158 158 LEU H H 1 8.052 0.05 . 1 . . . . 158 L HN . 17748 1 484 . 1 1 158 158 LEU C C 13 176.486 0.25 . 1 . . . . 158 L C . 17748 1 485 . 1 1 158 158 LEU CA C 13 53.086 0.25 . 1 . . . . 158 L CA . 17748 1 486 . 1 1 158 158 LEU N N 15 124.097 0.14 . 1 . . . . 158 L N . 17748 1 487 . 1 1 159 159 ASN H H 1 7.498 0.05 . 1 . . . . 159 N HN . 17748 1 488 . 1 1 159 159 ASN CA C 13 50.316 0.25 . 1 . . . . 159 N CA . 17748 1 489 . 1 1 159 159 ASN CB C 13 40.376 0.25 . 1 . . . . 159 N CB . 17748 1 490 . 1 1 159 159 ASN N N 15 117.497 0.14 . 1 . . . . 159 N N . 17748 1 491 . 1 1 160 160 THR C C 13 175.586 0.25 . 1 . . . . 160 T C . 17748 1 492 . 1 1 160 160 THR CA C 13 64.716 0.25 . 1 . . . . 160 T CA . 17748 1 493 . 1 1 161 161 THR H H 1 7.437 0.05 . 1 . . . . 161 T HN . 17748 1 494 . 1 1 161 161 THR C C 13 173.986 0.25 . 1 . . . . 161 T C . 17748 1 495 . 1 1 161 161 THR CA C 13 60.876 0.25 . 1 . . . . 161 T CA . 17748 1 496 . 1 1 161 161 THR CB C 13 67.646 0.25 . 1 . . . . 161 T CB . 17748 1 497 . 1 1 161 161 THR N N 15 110.697 0.14 . 1 . . . . 161 T N . 17748 1 498 . 1 1 162 162 CYS H H 1 8.189 0.05 . 1 . . . . 162 C HN . 17748 1 499 . 1 1 162 162 CYS C C 13 172.386 0.25 . 1 . . . . 162 C C . 17748 1 500 . 1 1 162 162 CYS CA C 13 61.976 0.25 . 1 . . . . 162 C CA . 17748 1 501 . 1 1 162 162 CYS CB C 13 24.166 0.25 . 1 . . . . 162 C CB . 17748 1 502 . 1 1 162 162 CYS N N 15 111.797 0.14 . 1 . . . . 162 C N . 17748 1 503 . 1 1 163 163 ASP H H 1 8.309 0.05 . 1 . . . . 163 D HN . 17748 1 504 . 1 1 163 163 ASP CA C 13 54.746 0.25 . 1 . . . . 163 D CA . 17748 1 505 . 1 1 163 163 ASP CB C 13 39.716 0.25 . 1 . . . . 163 D CB . 17748 1 506 . 1 1 163 163 ASP N N 15 119.197 0.14 . 1 . . . . 163 D N . 17748 1 507 . 1 1 166 166 ILE C C 13 175.486 0.25 . 1 . . . . 166 I C . 17748 1 508 . 1 1 166 166 ILE CA C 13 61.936 0.25 . 1 . . . . 166 I CA . 17748 1 509 . 1 1 167 167 CYS H H 1 8.727 0.05 . 1 . . . . 167 C HN . 17748 1 510 . 1 1 167 167 CYS C C 13 172.286 0.25 . 1 . . . . 167 C C . 17748 1 511 . 1 1 167 167 CYS CA C 13 55.196 0.25 . 1 . . . . 167 C CA . 17748 1 512 . 1 1 167 167 CYS CB C 13 31.996 0.25 . 1 . . . . 167 C CB . 17748 1 513 . 1 1 167 167 CYS N N 15 124.797 0.14 . 1 . . . . 167 C N . 17748 1 514 . 1 1 168 168 ASP H H 1 8.601 0.05 . 1 . . . . 168 D HN . 17748 1 515 . 1 1 168 168 ASP CA C 13 55.136 0.25 . 1 . . . . 168 D CA . 17748 1 516 . 1 1 168 168 ASP CB C 13 38.016 0.25 . 1 . . . . 168 D CB . 17748 1 517 . 1 1 168 168 ASP N N 15 116.497 0.14 . 1 . . . . 168 D N . 17748 1 518 . 1 1 223 223 LEU C C 13 178.986 0.25 . 1 . . . . 223 L C . 17748 1 519 . 1 1 223 223 LEU CA C 13 56.386 0.25 . 1 . . . . 223 L CA . 17748 1 520 . 1 1 224 224 SER H H 1 7.475 0.05 . 1 . . . . 224 S HN . 17748 1 521 . 1 1 224 224 SER C C 13 174.286 0.25 . 1 . . . . 224 S C . 17748 1 522 . 1 1 224 224 SER CA C 13 58.336 0.25 . 1 . . . . 224 S CA . 17748 1 523 . 1 1 224 224 SER CB C 13 66.526 0.25 . 1 . . . . 224 S CB . 17748 1 524 . 1 1 224 224 SER N N 15 109.897 0.14 . 1 . . . . 224 S N . 17748 1 525 . 1 1 225 225 ASN H H 1 8.879 0.05 . 1 . . . . 225 N HN . 17748 1 526 . 1 1 225 225 ASN C C 13 173.286 0.25 . 1 . . . . 225 N C . 17748 1 527 . 1 1 225 225 ASN CA C 13 56.186 0.25 . 1 . . . . 225 N CA . 17748 1 528 . 1 1 225 225 ASN CB C 13 35.846 0.25 . 1 . . . . 225 N CB . 17748 1 529 . 1 1 225 225 ASN N N 15 118.297 0.14 . 1 . . . . 225 N N . 17748 1 530 . 1 1 226 226 ARG H H 1 7.822 0.05 . 1 . . . . 226 R HN . 17748 1 531 . 1 1 226 226 ARG CA C 13 53.116 0.25 . 1 . . . . 226 R CA . 17748 1 532 . 1 1 226 226 ARG CB C 13 30.596 0.25 . 1 . . . . 226 R CB . 17748 1 533 . 1 1 226 226 ARG N N 15 116.997 0.14 . 1 . . . . 226 R N . 17748 1 534 . 1 1 242 242 LEU C C 13 178.386 0.25 . 1 . . . . 242 L C . 17748 1 535 . 1 1 242 242 LEU CA C 13 56.886 0.25 . 1 . . . . 242 L CA . 17748 1 536 . 1 1 243 243 GLY H H 1 7.736 0.05 . 1 . . . . 243 G HN . 17748 1 537 . 1 1 243 243 GLY C C 13 174.086 0.25 . 1 . . . . 243 G C . 17748 1 538 . 1 1 243 243 GLY CA C 13 45.666 0.25 . 1 . . . . 243 G CA . 17748 1 539 . 1 1 243 243 GLY N N 15 103.697 0.14 . 1 . . . . 243 G N . 17748 1 540 . 1 1 244 244 ILE H H 1 7.158 0.05 . 1 . . . . 244 I HN . 17748 1 541 . 1 1 244 244 ILE C C 13 175.286 0.25 . 1 . . . . 244 I C . 17748 1 542 . 1 1 244 244 ILE CA C 13 61.866 0.25 . 1 . . . . 244 I CA . 17748 1 543 . 1 1 244 244 ILE N N 15 119.397 0.14 . 1 . . . . 244 I N . 17748 1 544 . 1 1 245 245 LEU H H 1 8.594 0.05 . 1 . . . . 245 L HN . 17748 1 545 . 1 1 245 245 LEU C C 13 178.986 0.25 . 1 . . . . 245 L C . 17748 1 546 . 1 1 245 245 LEU CA C 13 56.506 0.25 . 1 . . . . 245 L CA . 17748 1 547 . 1 1 245 245 LEU N N 15 115.697 0.14 . 1 . . . . 245 L N . 17748 1 548 . 1 1 246 246 GLY H H 1 7.555 0.05 . 1 . . . . 246 G HN . 17748 1 549 . 1 1 246 246 GLY C C 13 171.986 0.25 . 1 . . . . 246 G C . 17748 1 550 . 1 1 246 246 GLY CA C 13 42.596 0.25 . 1 . . . . 246 G CA . 17748 1 551 . 1 1 246 246 GLY N N 15 106.897 0.14 . 1 . . . . 246 G N . 17748 1 552 . 1 1 247 247 SER H H 1 8.084 0.05 . 1 . . . . 247 S HN . 17748 1 553 . 1 1 247 247 SER CA C 13 58.296 0.25 . 1 . . . . 247 S CA . 17748 1 554 . 1 1 247 247 SER CB C 13 61.606 0.25 . 1 . . . . 247 S CB . 17748 1 555 . 1 1 247 247 SER N N 15 114.897 0.14 . 1 . . . . 247 S N . 17748 1 556 . 1 1 248 248 PRO C C 13 176.186 0.25 . 1 . . . . 248 P C . 17748 1 557 . 1 1 248 248 PRO CA C 13 61.466 0.25 . 1 . . . . 248 P CA . 17748 1 558 . 1 1 249 249 SER H H 1 8.917 0.05 . 1 . . . . 249 S HN . 17748 1 559 . 1 1 249 249 SER C C 13 174.586 0.25 . 1 . . . . 249 S C . 17748 1 560 . 1 1 249 249 SER CA C 13 56.616 0.25 . 1 . . . . 249 S CA . 17748 1 561 . 1 1 249 249 SER CB C 13 64.526 0.25 . 1 . . . . 249 S CB . 17748 1 562 . 1 1 249 249 SER N N 15 118.297 0.14 . 1 . . . . 249 S N . 17748 1 563 . 1 1 250 250 GLN H H 1 8.844 0.05 . 1 . . . . 250 Q HN . 17748 1 564 . 1 1 250 250 GLN C C 13 178.486 0.25 . 1 . . . . 250 Q C . 17748 1 565 . 1 1 250 250 GLN CA C 13 59.216 0.25 . 1 . . . . 250 Q CA . 17748 1 566 . 1 1 250 250 GLN CB C 13 27.236 0.25 . 1 . . . . 250 Q CB . 17748 1 567 . 1 1 250 250 GLN N N 15 120.697 0.14 . 1 . . . . 250 Q N . 17748 1 568 . 1 1 251 251 GLU H H 1 8.413 0.05 . 1 . . . . 251 E HN . 17748 1 569 . 1 1 251 251 GLU C C 13 178.986 0.25 . 1 . . . . 251 E C . 17748 1 570 . 1 1 251 251 GLU CA C 13 58.966 0.25 . 1 . . . . 251 E CA . 17748 1 571 . 1 1 251 251 GLU CB C 13 28.356 0.25 . 1 . . . . 251 E CB . 17748 1 572 . 1 1 251 251 GLU N N 15 118.397 0.14 . 1 . . . . 251 E N . 17748 1 573 . 1 1 252 252 ASP H H 1 7.722 0.05 . 1 . . . . 252 D HN . 17748 1 574 . 1 1 252 252 ASP C C 13 179.086 0.25 . 1 . . . . 252 D C . 17748 1 575 . 1 1 252 252 ASP CA C 13 56.826 0.25 . 1 . . . . 252 D CA . 17748 1 576 . 1 1 252 252 ASP CB C 13 39.976 0.25 . 1 . . . . 252 D CB . 17748 1 577 . 1 1 252 252 ASP N N 15 121.397 0.14 . 1 . . . . 252 D N . 17748 1 578 . 1 1 253 253 LEU H H 1 8.218 0.05 . 1 . . . . 253 L HN . 17748 1 579 . 1 1 253 253 LEU C C 13 178.986 0.25 . 1 . . . . 253 L C . 17748 1 580 . 1 1 253 253 LEU CA C 13 56.936 0.25 . 1 . . . . 253 L CA . 17748 1 581 . 1 1 253 253 LEU N N 15 120.797 0.14 . 1 . . . . 253 L N . 17748 1 582 . 1 1 254 254 ASN H H 1 7.790 0.05 . 1 . . . . 254 N HN . 17748 1 583 . 1 1 254 254 ASN C C 13 176.386 0.25 . 1 . . . . 254 N C . 17748 1 584 . 1 1 254 254 ASN CA C 13 54.426 0.25 . 1 . . . . 254 N CA . 17748 1 585 . 1 1 254 254 ASN CB C 13 37.326 0.25 . 1 . . . . 254 N CB . 17748 1 586 . 1 1 254 254 ASN N N 15 116.297 0.14 . 1 . . . . 254 N N . 17748 1 587 . 1 1 255 255 CYS H H 1 7.480 0.05 . 1 . . . . 255 C HN . 17748 1 588 . 1 1 255 255 CYS C C 13 174.486 0.25 . 1 . . . . 255 C C . 17748 1 589 . 1 1 255 255 CYS CA C 13 58.916 0.25 . 1 . . . . 255 C CA . 17748 1 590 . 1 1 255 255 CYS CB C 13 27.026 0.25 . 1 . . . . 255 C CB . 17748 1 591 . 1 1 255 255 CYS N N 15 114.897 0.14 . 1 . . . . 255 C N . 17748 1 592 . 1 1 256 256 ILE H H 1 7.694 0.05 . 1 . . . . 256 I HN . 17748 1 593 . 1 1 256 256 ILE CA C 13 59.576 0.25 . 1 . . . . 256 I CA . 17748 1 594 . 1 1 256 256 ILE N N 15 123.997 0.14 . 1 . . . . 256 I N . 17748 1 595 . 1 1 262 262 ARG C C 13 177.886 0.25 . 1 . . . . 262 R C . 17748 1 596 . 1 1 262 262 ARG CA C 13 60.296 0.25 . 1 . . . . 262 R CA . 17748 1 597 . 1 1 263 263 ASN H H 1 8.473 0.05 . 1 . . . . 263 N HN . 17748 1 598 . 1 1 263 263 ASN C C 13 178.386 0.25 . 1 . . . . 263 N C . 17748 1 599 . 1 1 263 263 ASN CA C 13 55.396 0.25 . 1 . . . . 263 N CA . 17748 1 600 . 1 1 263 263 ASN CB C 13 37.286 0.25 . 1 . . . . 263 N CB . 17748 1 601 . 1 1 263 263 ASN N N 15 115.997 0.14 . 1 . . . . 263 N N . 17748 1 602 . 1 1 264 264 TYR H H 1 7.923 0.05 . 1 . . . . 264 Y HN . 17748 1 603 . 1 1 264 264 TYR C C 13 178.886 0.25 . 1 . . . . 264 Y C . 17748 1 604 . 1 1 264 264 TYR CA C 13 61.016 0.25 . 1 . . . . 264 Y CA . 17748 1 605 . 1 1 264 264 TYR N N 15 122.197 0.14 . 1 . . . . 264 Y N . 17748 1 606 . 1 1 265 265 LEU H H 1 8.183 0.05 . 1 . . . . 265 L HN . 17748 1 607 . 1 1 265 265 LEU C C 13 180.186 0.25 . 1 . . . . 265 L C . 17748 1 608 . 1 1 265 265 LEU CA C 13 57.606 0.25 . 1 . . . . 265 L CA . 17748 1 609 . 1 1 265 265 LEU N N 15 120.797 0.14 . 1 . . . . 265 L N . 17748 1 610 . 1 1 266 266 LEU H H 1 8.165 0.05 . 1 . . . . 266 L HN . 17748 1 611 . 1 1 266 266 LEU C C 13 177.686 0.25 . 1 . . . . 266 L C . 17748 1 612 . 1 1 266 266 LEU CA C 13 56.576 0.25 . 1 . . . . 266 L CA . 17748 1 613 . 1 1 266 266 LEU CB C 13 41.306 0.25 . 1 . . . . 266 L CB . 17748 1 614 . 1 1 266 266 LEU N N 15 118.797 0.14 . 1 . . . . 266 L N . 17748 1 615 . 1 1 267 267 SER H H 1 7.442 0.05 . 1 . . . . 267 S HN . 17748 1 616 . 1 1 267 267 SER C C 13 174.086 0.25 . 1 . . . . 267 S C . 17748 1 617 . 1 1 267 267 SER CA C 13 58.736 0.25 . 1 . . . . 267 S CA . 17748 1 618 . 1 1 267 267 SER CB C 13 63.596 0.25 . 1 . . . . 267 S CB . 17748 1 619 . 1 1 267 267 SER N N 15 114.297 0.14 . 1 . . . . 267 S N . 17748 1 620 . 1 1 268 268 LEU H H 1 6.836 0.05 . 1 . . . . 268 L HN . 17748 1 621 . 1 1 268 268 LEU CA C 13 52.766 0.25 . 1 . . . . 268 L CA . 17748 1 622 . 1 1 268 268 LEU CB C 13 39.946 0.25 . 1 . . . . 268 L CB . 17748 1 623 . 1 1 268 268 LEU N N 15 124.097 0.14 . 1 . . . . 268 L N . 17748 1 624 . 1 1 269 269 PRO C C 13 176.086 0.25 . 1 . . . . 269 P C . 17748 1 625 . 1 1 269 269 PRO CA C 13 62.266 0.25 . 1 . . . . 269 P CA . 17748 1 626 . 1 1 270 270 HIS H H 1 8.487 0.05 . 1 . . . . 270 H HN . 17748 1 627 . 1 1 270 270 HIS C C 13 175.186 0.25 . 1 . . . . 270 H C . 17748 1 628 . 1 1 270 270 HIS CA C 13 57.446 0.25 . 1 . . . . 270 H CA . 17748 1 629 . 1 1 270 270 HIS CB C 13 29.136 0.25 . 1 . . . . 270 H CB . 17748 1 630 . 1 1 270 270 HIS N N 15 121.297 0.14 . 1 . . . . 270 H N . 17748 1 631 . 1 1 271 271 LYS H H 1 8.308 0.05 . 1 . . . . 271 K HN . 17748 1 632 . 1 1 271 271 LYS C C 13 175.786 0.25 . 1 . . . . 271 K C . 17748 1 633 . 1 1 271 271 LYS CA C 13 53.366 0.25 . 1 . . . . 271 K CA . 17748 1 634 . 1 1 271 271 LYS CB C 13 34.176 0.25 . 1 . . . . 271 K CB . 17748 1 635 . 1 1 271 271 LYS N N 15 126.797 0.14 . 1 . . . . 271 K N . 17748 1 636 . 1 1 272 272 ASN H H 1 8.606 0.05 . 1 . . . . 272 N HN . 17748 1 637 . 1 1 272 272 ASN C C 13 174.386 0.25 . 1 . . . . 272 N C . 17748 1 638 . 1 1 272 272 ASN CA C 13 51.786 0.25 . 1 . . . . 272 N CA . 17748 1 639 . 1 1 272 272 ASN CB C 13 39.126 0.25 . 1 . . . . 272 N CB . 17748 1 640 . 1 1 272 272 ASN N N 15 121.797 0.14 . 1 . . . . 272 N N . 17748 1 641 . 1 1 273 273 LYS H H 1 8.317 0.05 . 1 . . . . 273 K HN . 17748 1 642 . 1 1 273 273 LYS C C 13 176.686 0.25 . 1 . . . . 273 K C . 17748 1 643 . 1 1 273 273 LYS CA C 13 56.086 0.25 . 1 . . . . 273 K CA . 17748 1 644 . 1 1 273 273 LYS CB C 13 33.146 0.25 . 1 . . . . 273 K CB . 17748 1 645 . 1 1 273 273 LYS N N 15 121.997 0.14 . 1 . . . . 273 K N . 17748 1 646 . 1 1 274 274 VAL H H 1 8.819 0.05 . 1 . . . . 274 V HN . 17748 1 647 . 1 1 274 274 VAL CA C 13 59.316 0.25 . 1 . . . . 274 V CA . 17748 1 648 . 1 1 274 274 VAL CB C 13 32.476 0.25 . 1 . . . . 274 V CB . 17748 1 649 . 1 1 274 274 VAL N N 15 131.597 0.14 . 1 . . . . 274 V N . 17748 1 650 . 1 1 275 275 PRO C C 13 178.886 0.25 . 1 . . . . 275 P C . 17748 1 651 . 1 1 275 275 PRO CA C 13 61.946 0.25 . 1 . . . . 275 P CA . 17748 1 652 . 1 1 275 275 PRO CB C 13 31.326 0.25 . 1 . . . . 275 P CB . 17748 1 653 . 1 1 276 276 TRP H H 1 7.718 0.05 . 1 . . . . 276 W HN . 17748 1 654 . 1 1 276 276 TRP C C 13 178.086 0.25 . 1 . . . . 276 W C . 17748 1 655 . 1 1 276 276 TRP CA C 13 59.366 0.25 . 1 . . . . 276 W CA . 17748 1 656 . 1 1 276 276 TRP CB C 13 29.966 0.25 . 1 . . . . 276 W CB . 17748 1 657 . 1 1 276 276 TRP N N 15 123.097 0.14 . 1 . . . . 276 W N . 17748 1 658 . 1 1 277 277 ASN H H 1 8.704 0.05 . 1 . . . . 277 N HN . 17748 1 659 . 1 1 277 277 ASN C C 13 175.886 0.25 . 1 . . . . 277 N C . 17748 1 660 . 1 1 277 277 ASN CA C 13 54.366 0.25 . 1 . . . . 277 N CA . 17748 1 661 . 1 1 277 277 ASN CB C 13 36.106 0.25 . 1 . . . . 277 N CB . 17748 1 662 . 1 1 277 277 ASN N N 15 113.897 0.14 . 1 . . . . 277 N N . 17748 1 663 . 1 1 278 278 ARG H H 1 7.536 0.05 . 1 . . . . 278 R HN . 17748 1 664 . 1 1 278 278 ARG C C 13 177.786 0.25 . 1 . . . . 278 R C . 17748 1 665 . 1 1 278 278 ARG CA C 13 56.636 0.25 . 1 . . . . 278 R CA . 17748 1 666 . 1 1 278 278 ARG CB C 13 29.086 0.25 . 1 . . . . 278 R CB . 17748 1 667 . 1 1 278 278 ARG N N 15 118.597 0.14 . 1 . . . . 278 R N . 17748 1 668 . 1 1 279 279 LEU H H 1 6.837 0.05 . 1 . . . . 279 L HN . 17748 1 669 . 1 1 279 279 LEU C C 13 177.086 0.25 . 1 . . . . 279 L C . 17748 1 670 . 1 1 279 279 LEU CA C 13 56.096 0.25 . 1 . . . . 279 L CA . 17748 1 671 . 1 1 279 279 LEU CB C 13 41.666 0.25 . 1 . . . . 279 L CB . 17748 1 672 . 1 1 279 279 LEU N N 15 119.797 0.14 . 1 . . . . 279 L N . 17748 1 673 . 1 1 280 280 PHE H H 1 7.844 0.05 . 1 . . . . 280 F HN . 17748 1 674 . 1 1 280 280 PHE CA C 13 53.546 0.25 . 1 . . . . 280 F CA . 17748 1 675 . 1 1 280 280 PHE CB C 13 38.766 0.25 . 1 . . . . 280 F CB . 17748 1 676 . 1 1 280 280 PHE N N 15 115.997 0.14 . 1 . . . . 280 F N . 17748 1 677 . 1 1 281 281 PRO C C 13 177.686 0.25 . 1 . . . . 281 P C . 17748 1 678 . 1 1 281 281 PRO CA C 13 64.416 0.25 . 1 . . . . 281 P CA . 17748 1 679 . 1 1 281 281 PRO CB C 13 31.306 0.25 . 1 . . . . 281 P CB . 17748 1 680 . 1 1 282 282 ASN H H 1 8.759 0.05 . 1 . . . . 282 N HN . 17748 1 681 . 1 1 282 282 ASN C C 13 174.886 0.25 . 1 . . . . 282 N C . 17748 1 682 . 1 1 282 282 ASN CA C 13 52.166 0.25 . 1 . . . . 282 N CA . 17748 1 683 . 1 1 282 282 ASN CB C 13 38.746 0.25 . 1 . . . . 282 N CB . 17748 1 684 . 1 1 282 282 ASN N N 15 115.297 0.14 . 1 . . . . 282 N N . 17748 1 685 . 1 1 283 283 ALA H H 1 7.162 0.05 . 1 . . . . 283 A HN . 17748 1 686 . 1 1 283 283 ALA C C 13 176.686 0.25 . 1 . . . . 283 A C . 17748 1 687 . 1 1 283 283 ALA CA C 13 51.146 0.25 . 1 . . . . 283 A CA . 17748 1 688 . 1 1 283 283 ALA CB C 13 20.796 0.25 . 1 . . . . 283 A CB . 17748 1 689 . 1 1 283 283 ALA N N 15 122.997 0.14 . 1 . . . . 283 A N . 17748 1 690 . 1 1 284 284 ASP H H 1 8.595 0.05 . 1 . . . . 284 D HN . 17748 1 691 . 1 1 284 284 ASP C C 13 177.686 0.25 . 1 . . . . 284 D C . 17748 1 692 . 1 1 284 284 ASP CA C 13 54.426 0.25 . 1 . . . . 284 D CA . 17748 1 693 . 1 1 284 284 ASP CB C 13 42.666 0.25 . 1 . . . . 284 D CB . 17748 1 694 . 1 1 284 284 ASP N N 15 122.297 0.14 . 1 . . . . 284 D N . 17748 1 695 . 1 1 285 285 SER H H 1 8.916 0.05 . 1 . . . . 285 S HN . 17748 1 696 . 1 1 285 285 SER C C 13 177.786 0.25 . 1 . . . . 285 S C . 17748 1 697 . 1 1 285 285 SER CA C 13 61.996 0.25 . 1 . . . . 285 S CA . 17748 1 698 . 1 1 285 285 SER N N 15 122.997 0.14 . 1 . . . . 285 S N . 17748 1 699 . 1 1 286 286 LYS H H 1 8.968 0.05 . 1 . . . . 286 K HN . 17748 1 700 . 1 1 286 286 LYS C C 13 178.786 0.25 . 1 . . . . 286 K C . 17748 1 701 . 1 1 286 286 LYS CA C 13 59.276 0.25 . 1 . . . . 286 K CA . 17748 1 702 . 1 1 286 286 LYS CB C 13 31.316 0.25 . 1 . . . . 286 K CB . 17748 1 703 . 1 1 286 286 LYS N N 15 123.597 0.14 . 1 . . . . 286 K N . 17748 1 704 . 1 1 287 287 ALA H H 1 7.139 0.05 . 1 . . . . 287 A HN . 17748 1 705 . 1 1 287 287 ALA C C 13 179.386 0.25 . 1 . . . . 287 A C . 17748 1 706 . 1 1 287 287 ALA CA C 13 54.476 0.25 . 1 . . . . 287 A CA . 17748 1 707 . 1 1 287 287 ALA CB C 13 16.156 0.25 . 1 . . . . 287 A CB . 17748 1 708 . 1 1 287 287 ALA N N 15 122.297 0.14 . 1 . . . . 287 A N . 17748 1 709 . 1 1 288 288 LEU H H 1 7.270 0.05 . 1 . . . . 288 L HN . 17748 1 710 . 1 1 288 288 LEU C C 13 178.686 0.25 . 1 . . . . 288 L C . 17748 1 711 . 1 1 288 288 LEU CA C 13 56.106 0.25 . 1 . . . . 288 L CA . 17748 1 712 . 1 1 288 288 LEU CB C 13 39.706 0.25 . 1 . . . . 288 L CB . 17748 1 713 . 1 1 288 288 LEU N N 15 112.797 0.14 . 1 . . . . 288 L N . 17748 1 714 . 1 1 289 289 ASP H H 1 7.499 0.05 . 1 . . . . 289 D HN . 17748 1 715 . 1 1 289 289 ASP CA C 13 57.496 0.25 . 1 . . . . 289 D CA . 17748 1 716 . 1 1 289 289 ASP CB C 13 42.536 0.25 . 1 . . . . 289 D CB . 17748 1 717 . 1 1 289 289 ASP N N 15 120.797 0.14 . 1 . . . . 289 D N . 17748 1 718 . 1 1 296 296 THR C C 13 174.786 0.25 . 1 . . . . 296 T C . 17748 1 719 . 1 1 296 296 THR CA C 13 60.986 0.25 . 1 . . . . 296 T CA . 17748 1 720 . 1 1 296 296 THR CB C 13 70.446 0.25 . 1 . . . . 296 T CB . 17748 1 721 . 1 1 297 297 PHE H H 1 9.641 0.05 . 1 . . . . 297 F HN . 17748 1 722 . 1 1 297 297 PHE C C 13 174.586 0.25 . 1 . . . . 297 F C . 17748 1 723 . 1 1 297 297 PHE CA C 13 62.446 0.25 . 1 . . . . 297 F CA . 17748 1 724 . 1 1 297 297 PHE CB C 13 39.266 0.25 . 1 . . . . 297 F CB . 17748 1 725 . 1 1 297 297 PHE N N 15 129.997 0.14 . 1 . . . . 297 F N . 17748 1 726 . 1 1 298 298 ASN H H 1 8.743 0.05 . 1 . . . . 298 N HN . 17748 1 727 . 1 1 298 298 ASN CA C 13 50.116 0.25 . 1 . . . . 298 N CA . 17748 1 728 . 1 1 298 298 ASN CB C 13 38.486 0.25 . 1 . . . . 298 N CB . 17748 1 729 . 1 1 298 298 ASN N N 15 117.097 0.14 . 1 . . . . 298 N N . 17748 1 730 . 1 1 299 299 PRO C C 13 178.286 0.25 . 1 . . . . 299 P C . 17748 1 731 . 1 1 299 299 PRO CA C 13 64.066 0.25 . 1 . . . . 299 P CA . 17748 1 732 . 1 1 300 300 HIS H H 1 8.217 0.05 . 1 . . . . 300 H HN . 17748 1 733 . 1 1 300 300 HIS C C 13 176.386 0.25 . 1 . . . . 300 H C . 17748 1 734 . 1 1 300 300 HIS CA C 13 57.116 0.25 . 1 . . . . 300 H CA . 17748 1 735 . 1 1 300 300 HIS CB C 13 28.836 0.25 . 1 . . . . 300 H CB . 17748 1 736 . 1 1 300 300 HIS N N 15 116.597 0.14 . 1 . . . . 300 H N . 17748 1 737 . 1 1 301 301 LYS H H 1 7.310 0.05 . 1 . . . . 301 K HN . 17748 1 738 . 1 1 301 301 LYS C C 13 175.586 0.25 . 1 . . . . 301 K C . 17748 1 739 . 1 1 301 301 LYS CA C 13 55.076 0.25 . 1 . . . . 301 K CA . 17748 1 740 . 1 1 301 301 LYS CB C 13 33.176 0.25 . 1 . . . . 301 K CB . 17748 1 741 . 1 1 301 301 LYS N N 15 116.897 0.14 . 1 . . . . 301 K N . 17748 1 742 . 1 1 302 302 ARG H H 1 6.980 0.05 . 1 . . . . 302 R HN . 17748 1 743 . 1 1 302 302 ARG C C 13 175.786 0.25 . 1 . . . . 302 R C . 17748 1 744 . 1 1 302 302 ARG CA C 13 56.676 0.25 . 1 . . . . 302 R CA . 17748 1 745 . 1 1 302 302 ARG CB C 13 30.556 0.25 . 1 . . . . 302 R CB . 17748 1 746 . 1 1 302 302 ARG N N 15 123.197 0.14 . 1 . . . . 302 R N . 17748 1 747 . 1 1 303 303 ILE H H 1 7.358 0.05 . 1 . . . . 303 I HN . 17748 1 748 . 1 1 303 303 ILE C C 13 173.486 0.25 . 1 . . . . 303 I C . 17748 1 749 . 1 1 303 303 ILE CA C 13 62.286 0.25 . 1 . . . . 303 I CA . 17748 1 750 . 1 1 303 303 ILE N N 15 127.297 0.14 . 1 . . . . 303 I N . 17748 1 751 . 1 1 304 304 GLU H H 1 8.118 0.05 . 1 . . . . 304 E HN . 17748 1 752 . 1 1 304 304 GLU C C 13 179.186 0.25 . 1 . . . . 304 E C . 17748 1 753 . 1 1 304 304 GLU CA C 13 55.216 0.25 . 1 . . . . 304 E CA . 17748 1 754 . 1 1 304 304 GLU N N 15 123.597 0.14 . 1 . . . . 304 E N . 17748 1 755 . 1 1 305 305 VAL H H 1 8.820 0.05 . 1 . . . . 305 V HN . 17748 1 756 . 1 1 305 305 VAL C C 13 175.686 0.25 . 1 . . . . 305 V C . 17748 1 757 . 1 1 305 305 VAL CA C 13 66.726 0.25 . 1 . . . . 305 V CA . 17748 1 758 . 1 1 305 305 VAL CB C 13 30.376 0.25 . 1 . . . . 305 V CB . 17748 1 759 . 1 1 305 305 VAL N N 15 121.497 0.14 . 1 . . . . 305 V N . 17748 1 760 . 1 1 306 306 GLU H H 1 8.985 0.05 . 1 . . . . 306 E HN . 17748 1 761 . 1 1 306 306 GLU C C 13 179.086 0.25 . 1 . . . . 306 E C . 17748 1 762 . 1 1 306 306 GLU CA C 13 60.206 0.25 . 1 . . . . 306 E CA . 17748 1 763 . 1 1 306 306 GLU CB C 13 27.956 0.25 . 1 . . . . 306 E CB . 17748 1 764 . 1 1 306 306 GLU N N 15 120.197 0.14 . 1 . . . . 306 E N . 17748 1 765 . 1 1 307 307 GLN H H 1 6.905 0.05 . 1 . . . . 307 Q HN . 17748 1 766 . 1 1 307 307 GLN CA C 13 57.466 0.25 . 1 . . . . 307 Q CA . 17748 1 767 . 1 1 307 307 GLN CB C 13 27.556 0.25 . 1 . . . . 307 Q CB . 17748 1 768 . 1 1 307 307 GLN N N 15 116.097 0.14 . 1 . . . . 307 Q N . 17748 1 769 . 1 1 314 314 LEU C C 13 177.686 0.25 . 1 . . . . 314 L C . 17748 1 770 . 1 1 314 314 LEU CA C 13 53.376 0.25 . 1 . . . . 314 L CA . 17748 1 771 . 1 1 315 315 GLU H H 1 7.172 0.05 . 1 . . . . 315 E HN . 17748 1 772 . 1 1 315 315 GLU C C 13 177.386 0.25 . 1 . . . . 315 E C . 17748 1 773 . 1 1 315 315 GLU CA C 13 58.936 0.25 . 1 . . . . 315 E CA . 17748 1 774 . 1 1 315 315 GLU CB C 13 28.986 0.25 . 1 . . . . 315 E CB . 17748 1 775 . 1 1 315 315 GLU N N 15 120.997 0.14 . 1 . . . . 315 E N . 17748 1 776 . 1 1 316 316 GLN H H 1 8.864 0.05 . 1 . . . . 316 Q HN . 17748 1 777 . 1 1 316 316 GLN C C 13 175.586 0.25 . 1 . . . . 316 Q C . 17748 1 778 . 1 1 316 316 GLN CA C 13 57.146 0.25 . 1 . . . . 316 Q CA . 17748 1 779 . 1 1 316 316 GLN CB C 13 27.546 0.25 . 1 . . . . 316 Q CB . 17748 1 780 . 1 1 316 316 GLN N N 15 117.497 0.14 . 1 . . . . 316 Q N . 17748 1 781 . 1 1 317 317 TYR H H 1 7.428 0.05 . 1 . . . . 317 Y HN . 17748 1 782 . 1 1 317 317 TYR C C 13 174.886 0.25 . 1 . . . . 317 Y C . 17748 1 783 . 1 1 317 317 TYR CA C 13 57.976 0.25 . 1 . . . . 317 Y CA . 17748 1 784 . 1 1 317 317 TYR N N 15 116.497 0.14 . 1 . . . . 317 Y N . 17748 1 785 . 1 1 318 318 TYR H H 1 7.254 0.05 . 1 . . . . 318 Y HN . 17748 1 786 . 1 1 318 318 TYR C C 13 176.486 0.25 . 1 . . . . 318 Y C . 17748 1 787 . 1 1 318 318 TYR CA C 13 57.426 0.25 . 1 . . . . 318 Y CA . 17748 1 788 . 1 1 318 318 TYR CB C 13 38.186 0.25 . 1 . . . . 318 Y CB . 17748 1 789 . 1 1 318 318 TYR N N 15 117.797 0.14 . 1 . . . . 318 Y N . 17748 1 790 . 1 1 319 319 ASP H H 1 9.254 0.05 . 1 . . . . 319 D HN . 17748 1 791 . 1 1 319 319 ASP CA C 13 50.956 0.25 . 1 . . . . 319 D CA . 17748 1 792 . 1 1 319 319 ASP CB C 13 39.476 0.25 . 1 . . . . 319 D CB . 17748 1 793 . 1 1 319 319 ASP N N 15 127.397 0.14 . 1 . . . . 319 D N . 17748 1 794 . 1 1 320 320 PRO C C 13 178.586 0.25 . 1 . . . . 320 P C . 17748 1 795 . 1 1 320 320 PRO CA C 13 63.976 0.25 . 1 . . . . 320 P CA . 17748 1 796 . 1 1 321 321 SER H H 1 7.911 0.05 . 1 . . . . 321 S HN . 17748 1 797 . 1 1 321 321 SER C C 13 174.286 0.25 . 1 . . . . 321 S C . 17748 1 798 . 1 1 321 321 SER CA C 13 59.935 0.25 . 1 . . . . 321 S CA . 17748 1 799 . 1 1 321 321 SER CB C 13 62.696 0.25 . 1 . . . . 321 S CB . 17748 1 800 . 1 1 321 321 SER N N 15 114.097 0.14 . 1 . . . . 321 S N . 17748 1 801 . 1 1 322 322 ASP H H 1 8.269 0.05 . 1 . . . . 322 D HN . 17748 1 802 . 1 1 322 322 ASP C C 13 175.786 0.25 . 1 . . . . 322 D C . 17748 1 803 . 1 1 322 322 ASP CA C 13 52.436 0.25 . 1 . . . . 322 D CA . 17748 1 804 . 1 1 322 322 ASP CB C 13 42.626 0.25 . 1 . . . . 322 D CB . 17748 1 805 . 1 1 322 322 ASP N N 15 123.597 0.14 . 1 . . . . 322 D N . 17748 1 806 . 1 1 323 323 GLU H H 1 7.299 0.05 . 1 . . . . 323 E HN . 17748 1 807 . 1 1 323 323 GLU CA C 13 53.446 0.25 . 1 . . . . 323 E CA . 17748 1 808 . 1 1 323 323 GLU CB C 13 29.256 0.25 . 1 . . . . 323 E CB . 17748 1 809 . 1 1 323 323 GLU N N 15 121.297 0.14 . 1 . . . . 323 E N . 17748 1 810 . 1 1 324 324 PRO C C 13 176.686 0.25 . 1 . . . . 324 P C . 17748 1 811 . 1 1 324 324 PRO CA C 13 63.146 0.25 . 1 . . . . 324 P CA . 17748 1 812 . 1 1 325 325 ILE H H 1 7.916 0.05 . 1 . . . . 325 I HN . 17748 1 813 . 1 1 325 325 ILE C C 13 175.686 0.25 . 1 . . . . 325 I C . 17748 1 814 . 1 1 325 325 ILE CA C 13 59.106 0.25 . 1 . . . . 325 I CA . 17748 1 815 . 1 1 325 325 ILE CB C 13 40.986 0.25 . 1 . . . . 325 I CB . 17748 1 816 . 1 1 325 325 ILE N N 15 111.597 0.14 . 1 . . . . 325 I N . 17748 1 817 . 1 1 326 326 ALA H H 1 8.460 0.05 . 1 . . . . 326 A HN . 17748 1 818 . 1 1 326 326 ALA C C 13 178.086 0.25 . 1 . . . . 326 A C . 17748 1 819 . 1 1 326 326 ALA CA C 13 51.406 0.25 . 1 . . . . 326 A CA . 17748 1 820 . 1 1 326 326 ALA CB C 13 17.446 0.25 . 1 . . . . 326 A CB . 17748 1 821 . 1 1 326 326 ALA N N 15 124.697 0.14 . 1 . . . . 326 A N . 17748 1 822 . 1 1 327 327 GLU H H 1 8.758 0.05 . 1 . . . . 327 E HN . 17748 1 823 . 1 1 327 327 GLU C C 13 175.786 0.25 . 1 . . . . 327 E C . 17748 1 824 . 1 1 327 327 GLU CA C 13 57.696 0.25 . 1 . . . . 327 E CA . 17748 1 825 . 1 1 327 327 GLU CB C 13 28.966 0.25 . 1 . . . . 327 E CB . 17748 1 826 . 1 1 327 327 GLU N N 15 121.497 0.14 . 1 . . . . 327 E N . 17748 1 827 . 1 1 328 328 ALA H H 1 7.586 0.05 . 1 . . . . 328 A HN . 17748 1 828 . 1 1 328 328 ALA CA C 13 49.386 0.25 . 1 . . . . 328 A CA . 17748 1 829 . 1 1 328 328 ALA CB C 13 19.086 0.25 . 1 . . . . 328 A CB . 17748 1 830 . 1 1 328 328 ALA N N 15 119.997 0.14 . 1 . . . . 328 A N . 17748 1 831 . 1 1 336 336 LEU C C 13 178.386 0.25 . 1 . . . . 336 L C . 17748 1 832 . 1 1 336 336 LEU CA C 13 55.506 0.25 . 1 . . . . 336 L CA . 17748 1 833 . 1 1 337 337 ASP H H 1 8.173 0.05 . 1 . . . . 337 D HN . 17748 1 834 . 1 1 337 337 ASP C C 13 176.386 0.25 . 1 . . . . 337 D C . 17748 1 835 . 1 1 337 337 ASP CA C 13 56.916 0.25 . 1 . . . . 337 D CA . 17748 1 836 . 1 1 337 337 ASP N N 15 116.597 0.14 . 1 . . . . 337 D N . 17748 1 837 . 1 1 338 338 ASP H H 1 8.072 0.05 . 1 . . . . 338 D HN . 17748 1 838 . 1 1 338 338 ASP C C 13 176.286 0.25 . 1 . . . . 338 D C . 17748 1 839 . 1 1 338 338 ASP CA C 13 53.256 0.25 . 1 . . . . 338 D CA . 17748 1 840 . 1 1 338 338 ASP CB C 13 40.596 0.25 . 1 . . . . 338 D CB . 17748 1 841 . 1 1 338 338 ASP N N 15 115.397 0.14 . 1 . . . . 338 D N . 17748 1 842 . 1 1 339 339 LEU H H 1 7.105 0.05 . 1 . . . . 339 L HN . 17748 1 843 . 1 1 339 339 LEU CA C 13 52.386 0.25 . 1 . . . . 339 L CA . 17748 1 844 . 1 1 339 339 LEU CB C 13 41.226 0.25 . 1 . . . . 339 L CB . 17748 1 845 . 1 1 339 339 LEU N N 15 121.497 0.14 . 1 . . . . 339 L N . 17748 1 846 . 1 1 340 340 PRO C C 13 178.886 0.25 . 1 . . . . 340 P C . 17748 1 847 . 1 1 340 340 PRO CA C 13 61.536 0.25 . 1 . . . . 340 P CA . 17748 1 848 . 1 1 341 341 LYS H H 1 9.398 0.05 . 1 . . . . 341 K HN . 17748 1 849 . 1 1 341 341 LYS C C 13 178.086 0.25 . 1 . . . . 341 K C . 17748 1 850 . 1 1 341 341 LYS CA C 13 59.736 0.25 . 1 . . . . 341 K CA . 17748 1 851 . 1 1 341 341 LYS CB C 13 31.066 0.25 . 1 . . . . 341 K CB . 17748 1 852 . 1 1 341 341 LYS N N 15 121.897 0.14 . 1 . . . . 341 K N . 17748 1 853 . 1 1 342 342 GLU H H 1 9.602 0.05 . 1 . . . . 342 E HN . 17748 1 854 . 1 1 342 342 GLU C C 13 178.886 0.25 . 1 . . . . 342 E C . 17748 1 855 . 1 1 342 342 GLU CA C 13 60.566 0.25 . 1 . . . . 342 E CA . 17748 1 856 . 1 1 342 342 GLU CB C 13 27.376 0.25 . 1 . . . . 342 E CB . 17748 1 857 . 1 1 342 342 GLU N N 15 122.397 0.14 . 1 . . . . 342 E N . 17748 1 858 . 1 1 343 343 LYS H H 1 6.924 0.05 . 1 . . . . 343 K HN . 17748 1 859 . 1 1 343 343 LYS C C 13 178.986 0.25 . 1 . . . . 343 K C . 17748 1 860 . 1 1 343 343 LYS CA C 13 56.356 0.25 . 1 . . . . 343 K CA . 17748 1 861 . 1 1 343 343 LYS CB C 13 30.446 0.25 . 1 . . . . 343 K CB . 17748 1 862 . 1 1 343 343 LYS N N 15 120.397 0.14 . 1 . . . . 343 K N . 17748 1 863 . 1 1 344 344 LEU H H 1 7.947 0.05 . 1 . . . . 344 L HN . 17748 1 864 . 1 1 344 344 LEU C C 13 178.886 0.25 . 1 . . . . 344 L C . 17748 1 865 . 1 1 344 344 LEU CA C 13 57.906 0.25 . 1 . . . . 344 L CA . 17748 1 866 . 1 1 344 344 LEU CB C 13 41.586 0.25 . 1 . . . . 344 L CB . 17748 1 867 . 1 1 344 344 LEU N N 15 118.797 0.14 . 1 . . . . 344 L N . 17748 1 868 . 1 1 345 345 LYS H H 1 8.292 0.05 . 1 . . . . 345 K HN . 17748 1 869 . 1 1 345 345 LYS C C 13 177.986 0.25 . 1 . . . . 345 K C . 17748 1 870 . 1 1 345 345 LYS CA C 13 60.766 0.25 . 1 . . . . 345 K CA . 17748 1 871 . 1 1 345 345 LYS CB C 13 30.326 0.25 . 1 . . . . 345 K CB . 17748 1 872 . 1 1 345 345 LYS N N 15 119.497 0.14 . 1 . . . . 345 K N . 17748 1 873 . 1 1 346 346 GLU H H 1 7.203 0.05 . 1 . . . . 346 E HN . 17748 1 874 . 1 1 346 346 GLU C C 13 179.186 0.25 . 1 . . . . 346 E C . 17748 1 875 . 1 1 346 346 GLU CA C 13 59.366 0.25 . 1 . . . . 346 E CA . 17748 1 876 . 1 1 346 346 GLU CB C 13 28.696 0.25 . 1 . . . . 346 E CB . 17748 1 877 . 1 1 346 346 GLU N N 15 119.497 0.14 . 1 . . . . 346 E N . 17748 1 878 . 1 1 347 347 LEU H H 1 8.196 0.05 . 1 . . . . 347 L HN . 17748 1 879 . 1 1 347 347 LEU C C 13 180.586 0.25 . 1 . . . . 347 L C . 17748 1 880 . 1 1 347 347 LEU CA C 13 57.616 0.25 . 1 . . . . 347 L CA . 17748 1 881 . 1 1 347 347 LEU CB C 13 40.936 0.25 . 1 . . . . 347 L CB . 17748 1 882 . 1 1 347 347 LEU N N 15 119.797 0.14 . 1 . . . . 347 L N . 17748 1 883 . 1 1 348 348 ILE H H 1 8.729 0.05 . 1 . . . . 348 I HN . 17748 1 884 . 1 1 348 348 ILE C C 13 178.486 0.25 . 1 . . . . 348 I C . 17748 1 885 . 1 1 348 348 ILE CA C 13 65.676 0.25 . 1 . . . . 348 I CA . 17748 1 886 . 1 1 348 348 ILE CB C 13 37.486 0.25 . 1 . . . . 348 I CB . 17748 1 887 . 1 1 348 348 ILE N N 15 121.597 0.14 . 1 . . . . 348 I N . 17748 1 888 . 1 1 349 349 PHE H H 1 8.822 0.05 . 1 . . . . 349 F HN . 17748 1 889 . 1 1 349 349 PHE C C 13 177.386 0.25 . 1 . . . . 349 F C . 17748 1 890 . 1 1 349 349 PHE CA C 13 62.936 0.25 . 1 . . . . 349 F CA . 17748 1 891 . 1 1 349 349 PHE CB C 13 38.666 0.25 . 1 . . . . 349 F CB . 17748 1 892 . 1 1 349 349 PHE N N 15 124.797 0.14 . 1 . . . . 349 F N . 17748 1 893 . 1 1 350 350 GLU H H 1 8.467 0.05 . 1 . . . . 350 E HN . 17748 1 894 . 1 1 350 350 GLU C C 13 179.986 0.25 . 1 . . . . 350 E C . 17748 1 895 . 1 1 350 350 GLU CA C 13 59.096 0.25 . 1 . . . . 350 E CA . 17748 1 896 . 1 1 350 350 GLU CB C 13 28.816 0.25 . 1 . . . . 350 E CB . 17748 1 897 . 1 1 350 350 GLU N N 15 119.297 0.14 . 1 . . . . 350 E N . 17748 1 898 . 1 1 351 351 GLU H H 1 8.551 0.05 . 1 . . . . 351 E HN . 17748 1 899 . 1 1 351 351 GLU CA C 13 57.946 0.25 . 1 . . . . 351 E CA . 17748 1 900 . 1 1 351 351 GLU CB C 13 29.246 0.25 . 1 . . . . 351 E CB . 17748 1 901 . 1 1 351 351 GLU N N 15 119.397 0.14 . 1 . . . . 351 E N . 17748 1 902 . 1 1 352 352 THR C C 13 175.886 0.25 . 1 . . . . 352 T C . 17748 1 903 . 1 1 352 352 THR CA C 13 61.266 0.25 . 1 . . . . 352 T CA . 17748 1 904 . 1 1 353 353 ALA H H 1 7.360 0.05 . 1 . . . . 353 A HN . 17748 1 905 . 1 1 353 353 ALA C C 13 179.086 0.25 . 1 . . . . 353 A C . 17748 1 906 . 1 1 353 353 ALA CA C 13 55.116 0.25 . 1 . . . . 353 A CA . 17748 1 907 . 1 1 353 353 ALA CB C 13 16.866 0.25 . 1 . . . . 353 A CB . 17748 1 908 . 1 1 353 353 ALA N N 15 128.597 0.14 . 1 . . . . 353 A N . 17748 1 909 . 1 1 354 354 ARG H H 1 7.646 0.05 . 1 . . . . 354 R HN . 17748 1 910 . 1 1 354 354 ARG C C 13 175.586 0.25 . 1 . . . . 354 R C . 17748 1 911 . 1 1 354 354 ARG CA C 13 56.276 0.25 . 1 . . . . 354 R CA . 17748 1 912 . 1 1 354 354 ARG N N 15 113.797 0.14 . 1 . . . . 354 R N . 17748 1 913 . 1 1 355 355 PHE H H 1 6.880 0.05 . 1 . . . . 355 F HN . 17748 1 914 . 1 1 355 355 PHE C C 13 176.086 0.25 . 1 . . . . 355 F C . 17748 1 915 . 1 1 355 355 PHE CA C 13 57.986 0.25 . 1 . . . . 355 F CA . 17748 1 916 . 1 1 355 355 PHE CB C 13 39.636 0.25 . 1 . . . . 355 F CB . 17748 1 917 . 1 1 355 355 PHE N N 15 116.597 0.14 . 1 . . . . 355 F N . 17748 1 918 . 1 1 356 356 GLN H H 1 7.753 0.05 . 1 . . . . 356 Q HN . 17748 1 919 . 1 1 356 356 GLN CA C 13 53.256 0.25 . 1 . . . . 356 Q CA . 17748 1 920 . 1 1 356 356 GLN CB C 13 27.416 0.25 . 1 . . . . 356 Q CB . 17748 1 921 . 1 1 356 356 GLN N N 15 120.797 0.14 . 1 . . . . 356 Q N . 17748 1 922 . 1 1 357 357 PRO C C 13 178.086 0.25 . 1 . . . . 357 P C . 17748 1 923 . 1 1 357 357 PRO CA C 13 63.526 0.25 . 1 . . . . 357 P CA . 17748 1 924 . 1 1 358 358 GLY H H 1 8.681 0.05 . 1 . . . . 358 G HN . 17748 1 925 . 1 1 358 358 GLY C C 13 174.286 0.25 . 1 . . . . 358 G C . 17748 1 926 . 1 1 358 358 GLY CA C 13 44.836 0.25 . 1 . . . . 358 G CA . 17748 1 927 . 1 1 358 358 GLY N N 15 110.697 0.14 . 1 . . . . 358 G N . 17748 1 928 . 1 1 359 359 TYR H H 1 7.596 0.05 . 1 . . . . 359 Y HN . 17748 1 929 . 1 1 359 359 TYR C C 13 175.786 0.25 . 1 . . . . 359 Y C . 17748 1 930 . 1 1 359 359 TYR CA C 13 58.936 0.25 . 1 . . . . 359 Y CA . 17748 1 931 . 1 1 359 359 TYR CB C 13 38.056 0.25 . 1 . . . . 359 Y CB . 17748 1 932 . 1 1 359 359 TYR N N 15 121.597 0.14 . 1 . . . . 359 Y N . 17748 1 933 . 1 1 360 360 ARG H H 1 7.892 0.05 . 1 . . . . 360 R HN . 17748 1 934 . 1 1 360 360 ARG C C 13 174.586 0.25 . 1 . . . . 360 R C . 17748 1 935 . 1 1 360 360 ARG CA C 13 55.096 0.25 . 1 . . . . 360 R CA . 17748 1 936 . 1 1 360 360 ARG CB C 13 30.156 0.25 . 1 . . . . 360 R CB . 17748 1 937 . 1 1 360 360 ARG N N 15 125.597 0.14 . 1 . . . . 360 R N . 17748 1 938 . 1 1 361 361 SER H H 1 7.692 0.05 . 1 . . . . 361 S HN . 17748 1 939 . 1 1 361 361 SER CA C 13 59.636 0.25 . 1 . . . . 361 S CA . 17748 1 940 . 1 1 361 361 SER CB C 13 64.136 0.25 . 1 . . . . 361 S CB . 17748 1 941 . 1 1 361 361 SER N N 15 122.997 0.14 . 1 . . . . 361 S N . 17748 1 stop_ save_