data_17674 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17674 _Entry.Title ; Solution structure of FGF1-SSR128129E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-30 _Entry.Accession_date 2011-05-30 _Entry.Last_release_date 2012-06-19 _Entry.Original_release_date 2012-06-19 _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 . _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 Sepuru Mohan . K. . 17674 2 Sandhya Rani . G. . 17674 3 Chin Yu . . . 17674 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17674 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Beta sheet protein' . 17674 'Fibroblast growth factor' . 17674 'Protein-drug complex' . 17674 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17674 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 359 17674 '15N chemical shifts' 129 17674 '1H chemical shifts' 682 17674 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-19 2011-05-30 original author . 17674 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17674 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22683470 _Citation.Full_citation . _Citation.Title 'Interaction of FGF1 with a novel anti-angiogenic drug SSR128129E.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Arch. Biochem. Biophys.' _Citation.Journal_name_full 'Archives of biochemistry and biophysics' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2012 _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 Sepuru Mohan . K. . 17674 1 2 Sandhya Rani . G. . 17674 1 3 Ing-Ming Chiu . . . 17674 1 4 Chin Yu . . . 17674 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17674 _Assembly.ID 1 _Assembly.Name FGF1-SSR128129E _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 FGF1 1 $FGF1 A . yes native no no . . . 17674 1 2 SSR_1 2 $SSR B . no native no no . . . 17674 1 3 SSR_2 2 $SSR C . no native no no . . . 17674 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FGF1 _Entity.Sf_category entity _Entity.Sf_framecode FGF1 _Entity.Entry_ID 17674 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FGF1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YKKPKLLYCSNGGHFLRILP DGTVDGTRDRSDQHIQLQLS AESVGEVYIKSTETGQYLAM DTDGLLYGSQTPNEECLFLE RLEENHYNTYISKKHAEKNW FVGLKKNGSCKRGPRTHYGQ KAILFLPLPV ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14828.918 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15783 . FGF-1 . . . . . 100.00 133 100.00 100.00 4.15e-91 . . . . 17674 1 2 no BMRB 15960 . FGF-1 . . . . . 100.00 133 100.00 100.00 4.15e-91 . . . . 17674 1 3 no BMRB 16493 . aFGF . . . . . 99.23 132 100.00 100.00 2.66e-90 . . . . 17674 1 4 no BMRB 16494 . aFGF . . . . . 99.23 132 100.00 100.00 2.66e-90 . . . . 17674 1 5 no BMRB 16502 . aFGF . . . . . 99.23 132 100.00 100.00 2.66e-90 . . . . 17674 1 6 no BMRB 17464 . FGF . . . . . 99.23 132 100.00 100.00 2.66e-90 . . . . 17674 1 7 no PDB 1AXM . "Heparin-Linked Biologically-Active Dimer Of Fibroblast Growth Factor" . . . . . 100.00 135 99.23 99.23 6.23e-90 . . . . 17674 1 8 no PDB 1DJS . "Ligand-binding Portion Of Fibroblast Growth Factor Receptor 2 In Complex With Fgf1" . . . . . 100.00 135 99.23 99.23 6.23e-90 . . . . 17674 1 9 no PDB 1DZC . "High Resolution Structure Of Acidic Fibroblast Growth Factor. Mutant Fgf-4-ala-(23-154), 24 Nmr Structures" . . . . . 96.15 131 100.00 100.00 1.67e-87 . . . . 17674 1 10 no PDB 1DZD . "High Resolution Structure Of Acidic Fibroblast Growth Factor (27-154), 24 Nmr Structures" . . . . . 95.38 127 100.00 100.00 1.52e-86 . . . . 17674 1 11 no PDB 1E0O . "Crystal Structure Of A Ternary Fgf1-Fgfr2-Heparin Complex" . . . . . 100.00 140 100.00 100.00 1.23e-90 . . . . 17674 1 12 no PDB 1EVT . "Crystal Structure Of Fgf1 In Complex With The Extracellular Ligand Binding Domain Of Fgf Receptor 1 (Fgfr1)" . . . . . 100.00 134 100.00 100.00 4.53e-91 . . . . 17674 1 13 no PDB 1HKN . "A Complex Between Acidic Fibroblast Growth Factor And 5- Amino-2-Naphthalenesulfonate" . . . . . 100.00 139 100.00 100.00 9.96e-91 . . . . 17674 1 14 no PDB 1JQZ . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag." . . . . . 100.00 146 100.00 100.00 1.78e-90 . . . . 17674 1 15 no PDB 1JT3 . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Histidine Tag And Leu 73 Replaced By Val (L73v)" . . . . . 100.00 146 99.23 100.00 4.56e-90 . . . . 17674 1 16 no PDB 1JT4 . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Val 109 Replaced By Leu (v109l)" . . . . . 100.00 146 99.23 100.00 6.60e-90 . . . . 17674 1 17 no PDB 1JT5 . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 73 Replaced By Val And Val 109 R" . . . . . 100.00 146 98.46 100.00 1.56e-89 . . . . 17674 1 18 no PDB 1JT7 . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 44 Replaced By Phe And Leu 73 Re" . . . . . 100.00 146 97.69 99.23 4.92e-89 . . . . 17674 1 19 no PDB 1JTC . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 44 Replaced By Phe (L44f)" . . . . . 100.00 146 99.23 99.23 5.61e-90 . . . . 17674 1 20 no PDB 1JY0 . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Cys 117 Replaced With Val (C117v)" . . . . . 100.00 146 99.23 99.23 2.27e-89 . . . . 17674 1 21 no PDB 1K5U . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag With His93 Replaced By Gly (H93g)" . . . . . 100.00 146 99.23 99.23 6.91e-89 . . . . 17674 1 22 no PDB 1K5V . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag With Asn106 Replaced By Gly (N106g)" . . . . . 100.00 146 99.23 99.23 2.08e-89 . . . . 17674 1 23 no PDB 1M16 . "Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form With Amino Terminal His Tag And Leu 44 Replaced With Phe (L44f), Leu" . . . . . 100.00 146 96.92 98.46 6.13e-88 . . . . 17674 1 24 no PDB 1P63 . "Human Acidic Fibroblast Growth Factor. 140 Amino Acid Form With Amino Terminal His Tag And Leu111 Replaced With Ile (L111i)" . . . . . 100.00 144 99.23 100.00 3.99e-90 . . . . 17674 1 25 no PDB 1PZZ . "Crystal Structure Of Fgf-1, V51n Mutant" . . . . . 100.00 146 99.23 99.23 2.10e-89 . . . . 17674 1 26 no PDB 1Q03 . "Crystal Structure Of Fgf-1, S50gV51G MUTANT" . . . . . 100.00 146 98.46 98.46 2.06e-88 . . . . 17674 1 27 no PDB 1Q04 . "Crystal Structure Of Fgf-1, S50e/v51n" . . . . . 100.00 146 98.46 98.46 1.30e-88 . . . . 17674 1 28 no PDB 1RG8 . "Human Acidic Fibroblast Growth Factor (Hafgf-1) At 1.10 Angstrom Resolution (140 Amino Acid Form)" . . . . . 100.00 146 100.00 100.00 1.78e-90 . . . . 17674 1 29 no PDB 1RML . "Nmr Study Of Acid Fibroblast Growth Factor Bound To 1,3,6- Naphthalene Trisulphonate, 26 Structures" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 30 no PDB 1RY7 . "Crystal Structure Of The 3 Ig Form Of Fgfr3c In Complex With Fgf1" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 31 no PDB 1YTO . "Crystal Structure Of Gly19 Deletion Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 145 99.23 99.23 6.99e-88 . . . . 17674 1 32 no PDB 1Z2V . "Crystal Structure Of Glu60 Deletion Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 145 99.23 99.23 6.13e-88 . . . . 17674 1 33 no PDB 1Z4S . "Crystal Structure Of Gly19 And Glu60 Deletion Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 144 98.46 98.46 2.46e-85 . . . . 17674 1 34 no PDB 2AFG . "2.0 Angstrom X-Ray Structure Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 140 100.00 100.00 1.23e-90 . . . . 17674 1 35 no PDB 2AQZ . "Crystal Structure Of Fgf-1, S17tN18TG19 DELETION MUTANT" . . . . . 100.00 145 97.69 98.46 1.64e-86 . . . . 17674 1 36 no PDB 2AXM . "Heparin-Linked Biologically-Active Dimer Of Fibroblast Growth Factor" . . . . . 100.00 135 100.00 100.00 4.89e-91 . . . . 17674 1 37 no PDB 2ERM . "Solution Structure Of A Biologically Active Human Fgf-1 Monomer, Complexed To A Hexasaccharide Heparin-Analogue" . . . . . 100.00 139 100.00 100.00 9.96e-91 . . . . 17674 1 38 no PDB 2HW9 . "Crystal Structure Of Lys12cysCYS117VAL MUTANT OF HUMAN Acidic Fibroblast Growth Factor At 1.60 Angstrom Resolution" . . . . . 100.00 146 98.46 98.46 7.97e-88 . . . . 17674 1 39 no PDB 2HWA . "Crystal Structure Of Lys12thrCYS117VAL MUTANT OF HUMAN Acidic Fibroblast Growth Factor At 1.65 Angstrom Resolution" . . . . . 100.00 146 98.46 98.46 1.23e-88 . . . . 17674 1 40 no PDB 2HWM . "Crystal Structure Of Lys12valCYS117VAL MUTANT OF HUMAN Acidic Fibroblast Growth Factor At 1.60 Angstrom Resolution" . . . . . 100.00 146 98.46 98.46 2.15e-88 . . . . 17674 1 41 no PDB 2HZ9 . "Crystal Structure Of Lys12valASN95VALCYS117VAL MUTANT OF Human Acidic Fibroblast Growth Factor At 1.70 Angstrom Resolution" . . . . . 100.00 146 97.69 97.69 3.80e-87 . . . . 17674 1 42 no PDB 2J3P . "Crystal Structure Of Rat Fgf1 At 1.4 A" . . . . . 100.00 134 96.92 97.69 2.34e-88 . . . . 17674 1 43 no PDB 2K43 . "Acidic Fibroblast Growth Factor Solution Structure In The Fgf-1-C2a Binary Complex: Key Component In The Fibroblast Growthfacto" . . . . . 100.00 133 100.00 100.00 4.15e-91 . . . . 17674 1 44 no PDB 2K4A . "Fgf-1-C2a Binary Complex Structure: A Key Component In The Fibroblast Growthfactor Non-Classical Pathway" . . . . . 100.00 133 100.00 100.00 4.15e-91 . . . . 17674 1 45 no PDB 2K8R . "Solution Structure Of Human Acidic Fibroblast Growth Factor In Complex With Anti-Angiogenic Drug Inositol Hexaphosphate (Ip6)" . . . . . 100.00 133 100.00 100.00 4.15e-91 . . . . 17674 1 46 no PDB 2KI4 . "Fgf1-S100a13 Complex Structure: Key Component In Non-Classic Way Of Fgf1" . . . . . 100.00 133 100.00 100.00 4.15e-91 . . . . 17674 1 47 no PDB 2KI6 . "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" . . . . . 100.00 133 100.00 100.00 4.15e-91 . . . . 17674 1 48 no PDB 2NTD . "Human Fibroblast Growth Factor-1 (140 Amino Acid Form) With Cys117valPRO134CYS MUTATIONS" . . . . . 100.00 146 98.46 98.46 1.19e-87 . . . . 17674 1 49 no PDB 2Q9X . "Crystal Structure Of Highly Stable Mutant Q40p/s47i/h93g Of Human Fibroblast Growth Factor-1" . . . . . 100.00 140 97.69 97.69 2.98e-87 . . . . 17674 1 50 no PDB 2RQ9 . "Solution Structure Of Human Acidic Fibroblast Growth Factor (Afgf) In The Presence Of A Protein Stabilizer Ndsb-New" . . . . . 100.00 143 100.00 100.00 5.47e-91 . . . . 17674 1 51 no PDB 2UUS . "Crystal Structure Of The Rat Fgf1-sucrose Octasulfate (sos) Complex" . . . . . 100.00 132 96.92 97.69 2.79e-88 . . . . 17674 1 52 no PDB 3B9U . "Crystal Structure Of L26nD28NH93G MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 97.69 98.46 3.80e-87 . . . . 17674 1 53 no PDB 3BA4 . "Crystal Structure Of L26d Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 2.40e-89 . . . . 17674 1 54 no PDB 3BA5 . "Crystal Structure Of D28a Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 1.75e-89 . . . . 17674 1 55 no PDB 3BA7 . "Crystal Structure Of L26nD28A MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 98.46 98.46 2.06e-88 . . . . 17674 1 56 no PDB 3BAD . "Crystal Structure Of D70aH93G MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 98.46 98.46 7.23e-88 . . . . 17674 1 57 no PDB 3BAG . "Crystal Structure Of K112nN114A MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 98.46 98.46 9.38e-89 . . . . 17674 1 58 no PDB 3BAH . "Crystal Structure Of K112n Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 8.68e-90 . . . . 17674 1 59 no PDB 3BAO . "Crystal Structure Of L26n Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 2.01e-89 . . . . 17674 1 60 no PDB 3BAQ . "Crystal Structure Of L26a Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 8.40e-90 . . . . 17674 1 61 no PDB 3BAU . "Crystal Structure Of K12vL26DD28A MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 97.69 97.69 2.32e-87 . . . . 17674 1 62 no PDB 3BAV . "Crystal Structure Of L26aD28N MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 98.46 99.23 3.51e-89 . . . . 17674 1 63 no PDB 3BB2 . "Crystal Structure Of L26dD28N MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 98.46 99.23 1.10e-88 . . . . 17674 1 64 no PDB 3CQA . "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ala And Lys101ala" . . . . . 100.00 144 98.46 98.46 4.51e-89 . . . . 17674 1 65 no PDB 3CRG . "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ala, Glu82asn And Lys101ala" . . . . . 100.00 146 97.69 97.69 2.37e-88 . . . . 17674 1 66 no PDB 3CRH . "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ser And Lys101ala" . . . . . 100.00 146 98.46 98.46 4.27e-89 . . . . 17674 1 67 no PDB 3CRI . "Crystal Structure Of Human Fibroblast Growth Factor-1 With Mutations Glu81ser, Glu82asn And Lys101ala" . . . . . 100.00 146 97.69 97.69 1.93e-88 . . . . 17674 1 68 no PDB 3CU1 . "Crystal Structure Of 2:2:2 Fgfr2d2:fgf1:sos Complex" . . . . . 100.00 131 100.00 100.00 6.94e-91 . . . . 17674 1 69 no PDB 3FGM . "Crystal Structure Of L44fC83TC117VF132W MUTANT OF HUMAN Acidic Fibroblast Growth Factor" . . . . . 100.00 146 96.92 97.69 7.08e-87 . . . . 17674 1 70 no PDB 3FJ8 . "Crystal Structure Of C117i Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 2.76e-89 . . . . 17674 1 71 no PDB 3FJ9 . "Crystal Structure Of F85w Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 100.00 1.22e-89 . . . . 17674 1 72 no PDB 3FJA . "Crystal Structure Of F132w Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 100.00 1.22e-89 . . . . 17674 1 73 no PDB 3FJB . "Crystal Structure Of V31i Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 100.00 3.07e-90 . . . . 17674 1 74 no PDB 3FJC . "Crystal Structure Of L44w Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 1.48e-89 . . . . 17674 1 75 no PDB 3FJD . "Crystal Structure Of L44fF132W MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 98.46 99.23 4.42e-89 . . . . 17674 1 76 no PDB 3FJE . "Crystal Structure Of C83s Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 2.42e-89 . . . . 17674 1 77 no PDB 3FJF . "Crystal Structure Of C83t Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 2.92e-89 . . . . 17674 1 78 no PDB 3FJH . "Crystal Structure Of C83a Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 1.73e-89 . . . . 17674 1 79 no PDB 3FJI . "Crystal Structure Of K12vC83IC117V MUTANT OF HUMAN ACIDIC Fibroblast Growth Factor" . . . . . 100.00 146 97.69 97.69 2.08e-87 . . . . 17674 1 80 no PDB 3FJJ . "Crystal Structure Of C83v Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 2.27e-89 . . . . 17674 1 81 no PDB 3FJK . "Crystal Structure Of A66c Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 1.95e-89 . . . . 17674 1 82 no PDB 3HAL . "Crystal Structure Of Rabbit Acidic Fibroblast Growth Factor" . . . . . 100.00 146 97.69 98.46 3.59e-88 . . . . 17674 1 83 no PDB 3HOM . "Crystal Structure Of Oxidized A66c Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 1.95e-89 . . . . 17674 1 84 no PDB 3JUT . "Acidic Fibroblast Growth Factor (Fgf-1) Complexed With Gentisic Acid" . . . . . 99.23 130 100.00 100.00 4.44e-90 . . . . 17674 1 85 no PDB 3K1X . "Acidic Fibroblast Growth Factor (Fgf-1) Complexed With Dobes" . . . . . 99.23 130 100.00 100.00 4.44e-90 . . . . 17674 1 86 no PDB 3OJ2 . "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring The A172f Pfeiffer Syndrome Mutation" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 87 no PDB 3OJM . "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring P253r Apert Mutation" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 88 no PDB 3OJV . "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr1c Exhibiting An Ordered Ligand Specificity-Determining Betac'-B" . . . . . 100.00 136 100.00 100.00 4.25e-91 . . . . 17674 1 89 no PDB 3UD7 . "Crystal Structure Analysis Of Fgf1-disaccharide(ni21) Complexes" . . . . . 100.00 141 100.00 100.00 1.08e-90 . . . . 17674 1 90 no PDB 3UD8 . "Crystal Structure Analysis Of Fgf1-disaccharide(ni22) Complex" . . . . . 100.00 141 100.00 100.00 1.08e-90 . . . . 17674 1 91 no PDB 3UD9 . "Crystal Structure Analysis Of Fgf1-disaccharide(ni23) Complex" . . . . . 100.00 141 100.00 100.00 1.08e-90 . . . . 17674 1 92 no PDB 3UDA . "Crystal Structure Analysis Of Fgf1-disaccharide(ni24) Complex" . . . . . 100.00 141 100.00 100.00 1.08e-90 . . . . 17674 1 93 no PDB 4J23 . "Low Resolution Crystal Structure Of The Fgfr2d2d3/fgf1/sr128545 Complex" . . . . . 100.00 138 100.00 100.00 7.75e-91 . . . . 17674 1 94 no PDB 4Q91 . "Crystal Structure Of C16a/k12v/c117v/p134v Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 96.92 96.92 2.74e-86 . . . . 17674 1 95 no PDB 4Q9G . "Crystal Structure Of K12v/c16s/c117v/p134v Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 96.92 96.92 3.60e-86 . . . . 17674 1 96 no PDB 4Q9P . "Crystal Structure Of C16t/k12v/c117v/p134v Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 96.92 96.92 3.68e-86 . . . . 17674 1 97 no PDB 4QAL . "Crystal Structure Of C117a Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 1.73e-89 . . . . 17674 1 98 no PDB 4QBC . "Crystal Structure Of C117t Mutant Of Human Acidic Fibroblast Growth Factor In Sodium Formate Buffer" . . . . . 100.00 146 99.23 99.23 2.92e-89 . . . . 17674 1 99 no PDB 4QBV . "Crystal Structure Of C117t Mutant Of Human Acidic Fibroblast Growth Factor In Sodium Citrate Buffer" . . . . . 100.00 146 99.23 99.23 2.24e-89 . . . . 17674 1 100 no PDB 4QC4 . "Crystal Structure Of C117s Mutant Of Human Acidic Fibroblast Growth Factor" . . . . . 100.00 146 99.23 99.23 2.42e-89 . . . . 17674 1 101 no DBJ BAC29035 . "unnamed protein product [Mus musculus]" . . . . . 100.00 155 96.92 97.69 1.89e-88 . . . . 17674 1 102 no DBJ BAF82451 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 154 99.23 99.23 1.85e-88 . . . . 17674 1 103 no DBJ BAG35227 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 104 no DBJ BAI46827 . "fibroblast growth factor 1 [synthetic construct]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 105 no EMBL CAA32448 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 155 96.92 97.69 1.89e-88 . . . . 17674 1 106 no EMBL CAA36206 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 107 no EMBL CAA42869 . "acidic fibroblast growth factor [Sus scrofa]" . . . . . 100.00 152 97.69 98.46 9.71e-89 . . . . 17674 1 108 no EMBL CAA46661 . "acidic fibroblast growth factor [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 109 no EMBL CAI29610 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 214 100.00 100.00 3.24e-90 . . . . 17674 1 110 no GB AAA37618 . "acidic fibroblast growth factor [Mus musculus]" . . . . . 100.00 155 96.92 97.69 1.89e-88 . . . . 17674 1 111 no GB AAA52446 . "acidic fibroblast growth factor [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 112 no GB AAA52638 . "heparin-binding growth factor 1, partial [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 113 no GB AAA79245 . "beta-endothelial cell growth factor [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 114 no GB AAB29057 . "acidic fibroblast growth factor, partial [Homo sapiens]" . . . . . 100.00 154 100.00 100.00 3.83e-91 . . . . 17674 1 115 no PRF 1605206A . "acidic fibroblast growth factor" . . . . . 100.00 156 100.00 100.00 4.14e-91 . . . . 17674 1 116 no REF NP_000791 . "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 117 no REF NP_001127073 . "fibroblast growth factor 1 [Pongo abelii]" . . . . . 100.00 214 100.00 100.00 3.24e-90 . . . . 17674 1 118 no REF NP_001138364 . "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 119 no REF NP_001138406 . "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 120 no REF NP_001138407 . "fibroblast growth factor 1 isoform 1 precursor [Homo sapiens]" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 121 no SP P05230 . "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" . . . . . 100.00 155 100.00 100.00 4.82e-91 . . . . 17674 1 122 no SP P20002 . "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" . . . . . 100.00 152 97.69 98.46 9.71e-89 . . . . 17674 1 123 no SP P34004 . "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" . . . . . 100.00 155 97.69 97.69 4.94e-89 . . . . 17674 1 124 no SP P61148 . "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" . . . . . 100.00 155 96.92 97.69 1.89e-88 . . . . 17674 1 125 no SP P61149 . "RecName: Full=Fibroblast growth factor 1; Short=FGF-1; AltName: Full=Acidic fibroblast growth factor; Short=aFGF; AltName: Full" . . . . . 100.00 155 96.92 97.69 1.89e-88 . . . . 17674 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 . TYR . 17674 1 2 . LYS . 17674 1 3 . LYS . 17674 1 4 . PRO . 17674 1 5 . LYS . 17674 1 6 . LEU . 17674 1 7 . LEU . 17674 1 8 . TYR . 17674 1 9 . CYS . 17674 1 10 . SER . 17674 1 11 . ASN . 17674 1 12 . GLY . 17674 1 13 . GLY . 17674 1 14 . HIS . 17674 1 15 . PHE . 17674 1 16 . LEU . 17674 1 17 . ARG . 17674 1 18 . ILE . 17674 1 19 . LEU . 17674 1 20 . PRO . 17674 1 21 . ASP . 17674 1 22 . GLY . 17674 1 23 . THR . 17674 1 24 . VAL . 17674 1 25 . ASP . 17674 1 26 . GLY . 17674 1 27 . THR . 17674 1 28 . ARG . 17674 1 29 . ASP . 17674 1 30 . ARG . 17674 1 31 . SER . 17674 1 32 . ASP . 17674 1 33 . GLN . 17674 1 34 . HIS . 17674 1 35 . ILE . 17674 1 36 . GLN . 17674 1 37 . LEU . 17674 1 38 . GLN . 17674 1 39 . LEU . 17674 1 40 . SER . 17674 1 41 . ALA . 17674 1 42 . GLU . 17674 1 43 . SER . 17674 1 44 . VAL . 17674 1 45 . GLY . 17674 1 46 . GLU . 17674 1 47 . VAL . 17674 1 48 . TYR . 17674 1 49 . ILE . 17674 1 50 . LYS . 17674 1 51 . SER . 17674 1 52 . THR . 17674 1 53 . GLU . 17674 1 54 . THR . 17674 1 55 . GLY . 17674 1 56 . GLN . 17674 1 57 . TYR . 17674 1 58 . LEU . 17674 1 59 . ALA . 17674 1 60 . MET . 17674 1 61 . ASP . 17674 1 62 . THR . 17674 1 63 . ASP . 17674 1 64 . GLY . 17674 1 65 . LEU . 17674 1 66 . LEU . 17674 1 67 . TYR . 17674 1 68 . GLY . 17674 1 69 . SER . 17674 1 70 . GLN . 17674 1 71 . THR . 17674 1 72 . PRO . 17674 1 73 . ASN . 17674 1 74 . GLU . 17674 1 75 . GLU . 17674 1 76 . CYS . 17674 1 77 . LEU . 17674 1 78 . PHE . 17674 1 79 . LEU . 17674 1 80 . GLU . 17674 1 81 . ARG . 17674 1 82 . LEU . 17674 1 83 . GLU . 17674 1 84 . GLU . 17674 1 85 . ASN . 17674 1 86 . HIS . 17674 1 87 . TYR . 17674 1 88 . ASN . 17674 1 89 . THR . 17674 1 90 . TYR . 17674 1 91 . ILE . 17674 1 92 . SER . 17674 1 93 . LYS . 17674 1 94 . LYS . 17674 1 95 . HIS . 17674 1 96 . ALA . 17674 1 97 . GLU . 17674 1 98 . LYS . 17674 1 99 . ASN . 17674 1 100 . TRP . 17674 1 101 . PHE . 17674 1 102 . VAL . 17674 1 103 . GLY . 17674 1 104 . LEU . 17674 1 105 . LYS . 17674 1 106 . LYS . 17674 1 107 . ASN . 17674 1 108 . GLY . 17674 1 109 . SER . 17674 1 110 . CYS . 17674 1 111 . LYS . 17674 1 112 . ARG . 17674 1 113 . GLY . 17674 1 114 . PRO . 17674 1 115 . ARG . 17674 1 116 . THR . 17674 1 117 . HIS . 17674 1 118 . TYR . 17674 1 119 . GLY . 17674 1 120 . GLN . 17674 1 121 . LYS . 17674 1 122 . ALA . 17674 1 123 . ILE . 17674 1 124 . LEU . 17674 1 125 . PHE . 17674 1 126 . LEU . 17674 1 127 . PRO . 17674 1 128 . LEU . 17674 1 129 . PRO . 17674 1 130 . VAL . 17674 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 . TYR 1 1 17674 1 . LYS 2 2 17674 1 . LYS 3 3 17674 1 . PRO 4 4 17674 1 . LYS 5 5 17674 1 . LEU 6 6 17674 1 . LEU 7 7 17674 1 . TYR 8 8 17674 1 . CYS 9 9 17674 1 . SER 10 10 17674 1 . ASN 11 11 17674 1 . GLY 12 12 17674 1 . GLY 13 13 17674 1 . HIS 14 14 17674 1 . PHE 15 15 17674 1 . LEU 16 16 17674 1 . ARG 17 17 17674 1 . ILE 18 18 17674 1 . LEU 19 19 17674 1 . PRO 20 20 17674 1 . ASP 21 21 17674 1 . GLY 22 22 17674 1 . THR 23 23 17674 1 . VAL 24 24 17674 1 . ASP 25 25 17674 1 . GLY 26 26 17674 1 . THR 27 27 17674 1 . ARG 28 28 17674 1 . ASP 29 29 17674 1 . ARG 30 30 17674 1 . SER 31 31 17674 1 . ASP 32 32 17674 1 . GLN 33 33 17674 1 . HIS 34 34 17674 1 . ILE 35 35 17674 1 . GLN 36 36 17674 1 . LEU 37 37 17674 1 . GLN 38 38 17674 1 . LEU 39 39 17674 1 . SER 40 40 17674 1 . ALA 41 41 17674 1 . GLU 42 42 17674 1 . SER 43 43 17674 1 . VAL 44 44 17674 1 . GLY 45 45 17674 1 . GLU 46 46 17674 1 . VAL 47 47 17674 1 . TYR 48 48 17674 1 . ILE 49 49 17674 1 . LYS 50 50 17674 1 . SER 51 51 17674 1 . THR 52 52 17674 1 . GLU 53 53 17674 1 . THR 54 54 17674 1 . GLY 55 55 17674 1 . GLN 56 56 17674 1 . TYR 57 57 17674 1 . LEU 58 58 17674 1 . ALA 59 59 17674 1 . MET 60 60 17674 1 . ASP 61 61 17674 1 . THR 62 62 17674 1 . ASP 63 63 17674 1 . GLY 64 64 17674 1 . LEU 65 65 17674 1 . LEU 66 66 17674 1 . TYR 67 67 17674 1 . GLY 68 68 17674 1 . SER 69 69 17674 1 . GLN 70 70 17674 1 . THR 71 71 17674 1 . PRO 72 72 17674 1 . ASN 73 73 17674 1 . GLU 74 74 17674 1 . GLU 75 75 17674 1 . CYS 76 76 17674 1 . LEU 77 77 17674 1 . PHE 78 78 17674 1 . LEU 79 79 17674 1 . GLU 80 80 17674 1 . ARG 81 81 17674 1 . LEU 82 82 17674 1 . GLU 83 83 17674 1 . GLU 84 84 17674 1 . ASN 85 85 17674 1 . HIS 86 86 17674 1 . TYR 87 87 17674 1 . ASN 88 88 17674 1 . THR 89 89 17674 1 . TYR 90 90 17674 1 . ILE 91 91 17674 1 . SER 92 92 17674 1 . LYS 93 93 17674 1 . LYS 94 94 17674 1 . HIS 95 95 17674 1 . ALA 96 96 17674 1 . GLU 97 97 17674 1 . LYS 98 98 17674 1 . ASN 99 99 17674 1 . TRP 100 100 17674 1 . PHE 101 101 17674 1 . VAL 102 102 17674 1 . GLY 103 103 17674 1 . LEU 104 104 17674 1 . LYS 105 105 17674 1 . LYS 106 106 17674 1 . ASN 107 107 17674 1 . GLY 108 108 17674 1 . SER 109 109 17674 1 . CYS 110 110 17674 1 . LYS 111 111 17674 1 . ARG 112 112 17674 1 . GLY 113 113 17674 1 . PRO 114 114 17674 1 . ARG 115 115 17674 1 . THR 116 116 17674 1 . HIS 117 117 17674 1 . TYR 118 118 17674 1 . GLY 119 119 17674 1 . GLN 120 120 17674 1 . LYS 121 121 17674 1 . ALA 122 122 17674 1 . ILE 123 123 17674 1 . LEU 124 124 17674 1 . PHE 125 125 17674 1 . LEU 126 126 17674 1 . PRO 127 127 17674 1 . LEU 128 128 17674 1 . PRO 129 129 17674 1 . VAL 130 130 17674 1 stop_ save_ save_SSR _Entity.Sf_category entity _Entity.Sf_framecode SSR _Entity.Entry_ID 17674 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SSR _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID SSR _Entity.Nonpolymer_comp_label $chem_comp_SSR _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SSR . 17674 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17674 _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 $FGF1 . 562 plasmid . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . FGF . 'acidic fibroblast growth factor' . . 17674 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 17674 _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 $FGF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET20b . . . . . . 17674 1 2 2 $SSR . 'chemical synthesis' 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . 'synthetic compound' . . . . . . 17674 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SSR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SSR _Chem_comp.Entry_ID 17674 _Chem_comp.ID SSR _Chem_comp.Provenance . _Chem_comp.Name 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code SSR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2010-09-01 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SSR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms [2-(3-Fluoro-2-methyl-benzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl]-piperazin-1-yl-methanone _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C28 H28 F N3 O2' _Chem_comp.Formula_weight 457.539 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 3OOT _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 17 10:22:08 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5 SMILES 'OpenEye OEToolkits' 1.7.0 17674 SSR Cc1c(cccc1F)Cc2c(c3c(c(ccc3n2c4ccccc4)O)C)C(=O)N5CCNCC5 SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 17674 SSR Cc1c(F)cccc1Cc2n(c3ccccc3)c4ccc(O)c(C)c4c2C(=O)N5CCNCC5 SMILES CACTVS 3.370 17674 SSR Cc1c(F)cccc1Cc2n(c3ccccc3)c4ccc(O)c(C)c4c2C(=O)N5CCNCC5 SMILES_CANONICAL CACTVS 3.370 17674 SSR InChI=1S/C28H28FN3O2/c1-18-20(7-6-10-22(18)29)17-24-27(28(34)31-15-13-30-14-16-31)26-19(2)25(33)12-11-23(26)32(24)21-8-4-3-5-9-21/h3-12,30,33H,13-17H2,1-2H3 InChI InChI 1.03 17674 SSR LWFGTVRNQYOUHL-UHFFFAOYSA-N InChIKey InChI 1.03 17674 SSR O=C(c3c1c(c(O)ccc1n(c2ccccc2)c3Cc4cccc(F)c4C)C)N5CCNCC5 SMILES ACDLabs 12.01 17674 SSR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID [2-(3-fluoro-2-methylbenzyl)-5-hydroxy-4-methyl-1-phenyl-1H-indol-3-yl](piperazin-1-yl)methanone 'SYSTEMATIC NAME' ACDLabs 12.01 17674 SSR [2-[(3-fluoro-2-methyl-phenyl)methyl]-5-hydroxy-4-methyl-1-phenyl-indol-3-yl]-piperazin-1-yl-methanone 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 17674 SSR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . yes no . . . . -10.215 . -26.560 . -4.273 . 3.901 2.411 0.911 1 . 17674 SSR C2 . C2 . . C . . N 0 . . . . yes no . . . . -10.868 . -25.381 . -3.875 . 3.669 1.084 0.623 2 . 17674 SSR C3 . C3 . . C . . N 0 . . . . yes no . . . . -10.367 . -24.614 . -2.816 . 2.464 0.697 0.047 3 . 17674 SSR C4 . C4 . . C . . N 0 . . . . yes no . . . . -9.196 . -25.038 . -2.149 . 1.491 1.668 -0.237 4 . 17674 SSR C5 . C5 . . C . . N 0 . . . . yes no . . . . -8.534 . -26.234 . -2.547 . 1.733 3.007 0.057 5 . 17674 SSR C6 . C6 . . C . . N 0 . . . . yes no . . . . -9.043 . -26.972 . -3.632 . 2.936 3.374 0.630 6 . 17674 SSR N9 . N9 . . N . . N 0 . . . . yes no . . . . -10.864 . -23.579 . -2.097 . 1.955 -0.527 -0.347 7 . 17674 SSR C10 . C10 . . C . . N 0 . . . . yes no . . . . -10.037 . -23.066 . -1.140 . 0.710 -0.376 -0.863 8 . 17674 SSR C11 . C11 . . C . . N 0 . . . . yes no . . . . -9.064 . -24.043 . -1.030 . 0.354 0.940 -0.831 9 . 17674 SSR C12 . C12 . . C . . N 0 . . . . no no . . . . -7.204 . -26.640 . -1.955 . 0.689 4.051 -0.247 10 . 17674 SSR O16 . O16 . . O . . N 0 . . . . no no . . . . -8.427 . -28.110 . -4.071 . 3.179 4.681 0.920 11 . 17674 SSR C17 . C17 . . C . . N 0 . . . . no no . . . . -7.850 . -24.057 . -0.156 . -0.913 1.520 -1.296 12 . 17674 SSR N18 . N18 . . N . . N 0 . . . . no no . . . . -7.734 . -24.996 . 0.799 . -1.842 1.913 -0.403 13 . 17674 SSR C19 . C19 . . C . . N 0 . . . . no no . . . . -8.784 . -26.025 . 1.000 . -3.162 2.388 -0.845 14 . 17674 SSR C20 . C20 . . C . . N 0 . . . . no no . . . . -9.073 . -26.133 . 2.486 . -4.240 1.621 -0.072 15 . 17674 SSR N21 . N21 . . N . . N 0 . . . . no no . . . . -7.836 . -26.314 . 3.219 . -3.986 1.747 1.370 16 . 17674 SSR C22 . C22 . . C . . N 0 . . . . no no . . . . -6.815 . -25.297 . 3.079 . -2.704 1.133 1.740 17 . 17674 SSR C23 . C23 . . C . . N 0 . . . . no no . . . . -6.503 . -25.060 . 1.610 . -1.565 1.874 1.041 18 . 17674 SSR O32 . O32 . . O . . N 0 . . . . no no . . . . -6.997 . -23.191 . -0.332 . -1.124 1.644 -2.488 19 . 17674 SSR C35 . C35 . . C . . N 0 . . . . yes no . . . . -11.921 . -22.869 . -2.576 . 2.628 -1.750 -0.228 20 . 17674 SSR C36 . C36 . . C . . N 0 . . . . yes no . . . . -11.813 . -21.540 . -3.056 . 2.932 -2.257 1.028 21 . 17674 SSR C37 . C37 . . C . . N 0 . . . . yes no . . . . -12.913 . -20.812 . -3.504 . 3.596 -3.463 1.142 22 . 17674 SSR C38 . C38 . . C . . N 0 . . . . yes no . . . . -14.177 . -21.397 . -3.543 . 3.959 -4.164 0.007 23 . 17674 SSR C39 . C39 . . C . . N 0 . . . . yes no . . . . -14.338 . -22.712 . -3.104 . 3.659 -3.661 -1.245 24 . 17674 SSR C40 . C40 . . C . . N 0 . . . . yes no . . . . -13.230 . -23.411 . -2.619 . 2.989 -2.459 -1.366 25 . 17674 SSR C46 . C46 . . C . . N 0 . . . . no no . . . . -10.224 . -21.830 . -0.271 . -0.151 -1.494 -1.393 26 . 17674 SSR C47 . C47 . . C . . N 0 . . . . yes no . . . . -10.092 . -22.138 . 1.198 . -1.114 -1.937 -0.321 27 . 17674 SSR C50 . C50 . . C . . N 0 . . . . yes no . . . . -10.998 . -22.968 . 1.906 . -2.476 -1.817 -0.525 28 . 17674 SSR C51 . C51 . . C . . N 0 . . . . yes no . . . . -10.817 . -23.156 . 3.272 . -3.361 -2.224 0.460 29 . 17674 SSR C52 . C52 . . C . . N 0 . . . . yes no . . . . -9.718 . -22.581 . 3.932 . -2.880 -2.750 1.647 30 . 17674 SSR C53 . C53 . . C . . N 0 . . . . yes no . . . . -8.833 . -21.749 . 3.228 . -1.517 -2.869 1.848 31 . 17674 SSR C54 . C54 . . C . . N 0 . . . . yes no . . . . -9.039 . -21.506 . 1.866 . -0.635 -2.468 0.862 32 . 17674 SSR C58 . C58 . . C . . N 0 . . . . no no . . . . -12.196 . -23.656 . 1.282 . -2.998 -1.244 -1.817 33 . 17674 SSR F62 . F62 . . F . . N 0 . . . . no no . . . . -11.692 . -23.926 . 3.942 . -4.692 -2.107 0.262 34 . 17674 SSR H1 . H1 . . H . . N 0 . . . . no no . . . . -10.621 . -27.152 . -5.080 . 4.836 2.705 1.362 35 . 17674 SSR H2 . H2 . . H . . N 0 . . . . no no . . . . -11.763 . -25.064 . -4.390 . 4.424 0.344 0.844 36 . 17674 SSR H12 . H12 . . H . . N 0 . . . . no no . . . . -7.372 . -27.321 . -1.108 . 0.033 4.170 0.615 37 . 17674 SSR H12A . H12A . . H . . N 0 . . . . no no . . . . -6.602 . -27.150 . -2.722 . 1.178 5.000 -0.466 38 . 17674 SSR H12B . H12B . . H . . N 0 . . . . no no . . . . -6.670 . -25.744 . -1.605 . 0.102 3.737 -1.110 39 . 17674 SSR HO16 . HO16 . . H . . N 0 . . . . no no . . . . -7.649 . -28.270 . -3.550 . 3.597 5.172 0.200 40 . 17674 SSR H19 . H19 . . H . . N 0 . . . . no no . . . . -9.699 . -25.734 . 0.463 . -3.254 3.455 -0.642 41 . 17674 SSR H19A . H19A . . H . . N 0 . . . . no no . . . . -8.434 . -26.995 . 0.617 . -3.277 2.205 -1.914 42 . 17674 SSR H20 . H20 . . H . . N 0 . . . . no no . . . . -9.567 . -25.212 . 2.828 . -5.220 2.036 -0.306 43 . 17674 SSR H20A . H20A . . H . . N 0 . . . . no no . . . . -9.732 . -26.995 . 2.667 . -4.212 0.569 -0.356 44 . 17674 SSR HN21 . HN21 . . H . . N 0 . . . . no no . . . . -8.077 . -26.350 . 4.189 . -4.023 2.712 1.661 45 . 17674 SSR H22 . H22 . . H . . N 0 . . . . no no . . . . -7.175 . -24.359 . 3.528 . -2.570 1.194 2.820 46 . 17674 SSR H22A . H22A . . H . . N 0 . . . . no no . . . . -5.901 . -25.629 . 3.594 . -2.697 0.088 1.431 47 . 17674 SSR H23 . H23 . . H . . N 0 . . . . no no . . . . -5.879 . -25.888 . 1.242 . -0.626 1.352 1.220 48 . 17674 SSR H23A . H23A . . H . . N 0 . . . . no no . . . . -5.964 . -24.106 . 1.512 . -1.501 2.891 1.429 49 . 17674 SSR H36 . H36 . . H . . N 0 . . . . no no . . . . -10.839 . -21.073 . -3.075 . 2.649 -1.710 1.916 50 . 17674 SSR H37 . H37 . . H . . N 0 . . . . no no . . . . -12.785 . -19.788 . -3.823 . 3.832 -3.859 2.119 51 . 17674 SSR H38 . H38 . . H . . N 0 . . . . no no . . . . -15.025 . -20.838 . -3.910 . 4.479 -5.106 0.098 52 . 17674 SSR H39 . H39 . . H . . N 0 . . . . no no . . . . -15.309 . -23.184 . -3.139 . 3.944 -4.210 -2.130 53 . 17674 SSR H40 . H40 . . H . . N 0 . . . . no no . . . . -13.379 . -24.418 . -2.258 . 2.750 -2.069 -2.344 54 . 17674 SSR H46 . H46 . . H . . N 0 . . . . no no . . . . -9.456 . -21.091 . -0.544 . -0.709 -1.143 -2.261 55 . 17674 SSR H46A . H46A . . H . . N 0 . . . . no no . . . . -11.229 . -21.423 . -0.454 . 0.481 -2.333 -1.682 56 . 17674 SSR H52 . H52 . . H . . N 0 . . . . no no . . . . -9.554 . -22.779 . 4.981 . -3.569 -3.068 2.415 57 . 17674 SSR H53 . H53 . . H . . N 0 . . . . no no . . . . -7.995 . -21.297 . 3.737 . -1.142 -3.279 2.773 58 . 17674 SSR H54 . H54 . . H . . N 0 . . . . no no . . . . -8.386 . -20.832 . 1.332 . 0.429 -2.565 1.018 59 . 17674 SSR H58 . H58 . . H . . N 0 . . . . no no . . . . -11.902 . -24.655 . 0.928 . -3.042 -2.029 -2.571 60 . 17674 SSR H58A . H58A . . H . . N 0 . . . . no no . . . . -12.995 . -23.753 . 2.032 . -3.996 -0.837 -1.657 61 . 17674 SSR H58B . H58B . . H . . N 0 . . . . no no . . . . -12.560 . -23.059 . 0.433 . -2.332 -0.450 -2.157 62 . 17674 SSR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 C2 yes N 1 . 17674 SSR 2 . SING C1 C6 yes N 2 . 17674 SSR 3 . SING C2 C3 yes N 3 . 17674 SSR 4 . DOUB C3 C4 yes N 4 . 17674 SSR 5 . SING C3 N9 yes N 5 . 17674 SSR 6 . SING C4 C5 yes N 6 . 17674 SSR 7 . SING C4 C11 yes N 7 . 17674 SSR 8 . DOUB C5 C6 yes N 8 . 17674 SSR 9 . SING C5 C12 no N 9 . 17674 SSR 10 . SING C6 O16 no N 10 . 17674 SSR 11 . SING N9 C10 yes N 11 . 17674 SSR 12 . SING N9 C35 yes N 12 . 17674 SSR 13 . DOUB C10 C11 yes N 13 . 17674 SSR 14 . SING C10 C46 no N 14 . 17674 SSR 15 . SING C11 C17 no N 15 . 17674 SSR 16 . SING C17 N18 no N 16 . 17674 SSR 17 . DOUB C17 O32 no N 17 . 17674 SSR 18 . SING N18 C19 no N 18 . 17674 SSR 19 . SING N18 C23 no N 19 . 17674 SSR 20 . SING C19 C20 no N 20 . 17674 SSR 21 . SING C20 N21 no N 21 . 17674 SSR 22 . SING N21 C22 no N 22 . 17674 SSR 23 . SING C22 C23 no N 23 . 17674 SSR 24 . DOUB C35 C36 yes N 24 . 17674 SSR 25 . SING C35 C40 yes N 25 . 17674 SSR 26 . SING C36 C37 yes N 26 . 17674 SSR 27 . DOUB C37 C38 yes N 27 . 17674 SSR 28 . SING C38 C39 yes N 28 . 17674 SSR 29 . DOUB C39 C40 yes N 29 . 17674 SSR 30 . SING C46 C47 no N 30 . 17674 SSR 31 . DOUB C47 C50 yes N 31 . 17674 SSR 32 . SING C47 C54 yes N 32 . 17674 SSR 33 . SING C50 C51 yes N 33 . 17674 SSR 34 . SING C50 C58 no N 34 . 17674 SSR 35 . DOUB C51 C52 yes N 35 . 17674 SSR 36 . SING C51 F62 no N 36 . 17674 SSR 37 . SING C52 C53 yes N 37 . 17674 SSR 38 . DOUB C53 C54 yes N 38 . 17674 SSR 39 . SING C1 H1 no N 39 . 17674 SSR 40 . SING C2 H2 no N 40 . 17674 SSR 41 . SING C12 H12 no N 41 . 17674 SSR 42 . SING C12 H12A no N 42 . 17674 SSR 43 . SING C12 H12B no N 43 . 17674 SSR 44 . SING O16 HO16 no N 44 . 17674 SSR 45 . SING C19 H19 no N 45 . 17674 SSR 46 . SING C19 H19A no N 46 . 17674 SSR 47 . SING C20 H20 no N 47 . 17674 SSR 48 . SING C20 H20A no N 48 . 17674 SSR 49 . SING N21 HN21 no N 49 . 17674 SSR 50 . SING C22 H22 no N 50 . 17674 SSR 51 . SING C22 H22A no N 51 . 17674 SSR 52 . SING C23 H23 no N 52 . 17674 SSR 53 . SING C23 H23A no N 53 . 17674 SSR 54 . SING C36 H36 no N 54 . 17674 SSR 55 . SING C37 H37 no N 55 . 17674 SSR 56 . SING C38 H38 no N 56 . 17674 SSR 57 . SING C39 H39 no N 57 . 17674 SSR 58 . SING C40 H40 no N 58 . 17674 SSR 59 . SING C46 H46 no N 59 . 17674 SSR 60 . SING C46 H46A no N 60 . 17674 SSR 61 . SING C52 H52 no N 61 . 17674 SSR 62 . SING C53 H53 no N 62 . 17674 SSR 63 . SING C54 H54 no N 63 . 17674 SSR 64 . SING C58 H58 no N 64 . 17674 SSR 65 . SING C58 H58A no N 65 . 17674 SSR 66 . SING C58 H58B no N 66 . 17674 SSR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17674 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FGF1 '[U-100% 13C; U-100% 15N]' . . 1 $FGF1 . . 1.0 . . mM 0.01 . . . 17674 1 2 SSR 'natural abundance' . . 2 $SSR . . 2.1 . . mM 0.01 . . . 17674 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17674 1 4 'ammonium sulfate' 'natural abundance' . . . . . . 100 . . mM . . . . 17674 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17674 1 6 H2O 'natural abundance' . . . . . . 10 . . % . . . . 17674 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 17674 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17674 1 pH 6.8 . pH 17674 1 pressure 1 . atm 17674 1 temperature 298 . K 17674 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17674 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17674 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17674 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17674 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17674 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17674 2 processing 17674 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17674 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17674 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17674 3 'peak picking' 17674 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17674 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17674 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17674 4 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 17674 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17674 _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 Varian INOVA . 700 . . . 17674 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 17674 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 1 12 '3D 13C-Filter NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17674 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 17674 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbon' . . . . ppm 0 internal direct 1 . . . . . . . . . 17674 1 H 1 TSP 'methylene protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 17674 1 N 15 TSP nitrogen . . . . ppm 0 internal direct 1 . . . . . . . . . 17674 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 17674 _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' . . . 17674 1 2 '3D HNCA' . . . 17674 1 3 '3D HNCO' . . . 17674 1 4 '3D HNCACB' . . . 17674 1 5 '3D HBHA(CO)NH' . . . 17674 1 6 '3D HN(CO)CA' . . . 17674 1 7 '3D C(CO)NH' . . . 17674 1 8 '3D H(CCO)NH' . . . 17674 1 9 '3D HCCH-TOCSY' . . . 17674 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 TYR HA H 1 4.696 0.0 . . . . . A 1 TYR HA . 17674 1 2 . 1 1 1 1 TYR HB2 H 1 2.927 0.0 . . . . . A 1 TYR HB2 . 17674 1 3 . 1 1 1 1 TYR HB3 H 1 3.36 0.0 . . . . . A 1 TYR HB3 . 17674 1 4 . 1 1 1 1 TYR HD1 H 1 7.1 0.0 . . . . . A 1 TYR HD1 . 17674 1 5 . 1 1 1 1 TYR HD2 H 1 7.1 0.0 . . . . . A 1 TYR HD2 . 17674 1 6 . 1 1 1 1 TYR HE1 H 1 6.89 0.0 . . . . . A 1 TYR HE1 . 17674 1 7 . 1 1 1 1 TYR HE2 H 1 6.89 0.0 . . . . . A 1 TYR HE2 . 17674 1 8 . 1 1 1 1 TYR H H 1 8.416 0.0 . . . . . A 1 TYR HT1 . 17674 1 9 . 1 1 1 1 TYR C C 13 174.229 0.0 . . . . . A 1 TYR C . 17674 1 10 . 1 1 1 1 TYR CA C 13 55.442 0.0 . . . . . A 1 TYR CA . 17674 1 11 . 1 1 1 1 TYR N N 15 120.6 0.0 . . . . . A 1 TYR N . 17674 1 12 . 1 1 2 2 LYS H H 1 7.955 0.0 . . . . . A 2 LYS H . 17674 1 13 . 1 1 2 2 LYS HA H 1 4.27 0.0 . . . . . A 2 LYS HA . 17674 1 14 . 1 1 2 2 LYS HB2 H 1 1.89 0.0 . . . . . A 2 LYS HB2 . 17674 1 15 . 1 1 2 2 LYS C C 13 174.3 0.0 . . . . . A 2 LYS C . 17674 1 16 . 1 1 2 2 LYS CA C 13 51.913 0.0 . . . . . A 2 LYS CA . 17674 1 17 . 1 1 2 2 LYS N N 15 120.0 0.0 . . . . . A 2 LYS N . 17674 1 18 . 1 1 3 3 LYS H H 1 8.06 0.0 . . . . . A 3 LYS H . 17674 1 19 . 1 1 3 3 LYS HA H 1 4.6 0.0 . . . . . A 3 LYS HA . 17674 1 20 . 1 1 3 3 LYS HB2 H 1 1.6 0.0 . . . . . A 3 LYS HB2 . 17674 1 21 . 1 1 3 3 LYS HB3 H 1 1.77 0.0 . . . . . A 3 LYS HB3 . 17674 1 22 . 1 1 3 3 LYS CA C 13 51.9 0.0 . . . . . A 3 LYS CA . 17674 1 23 . 1 1 3 3 LYS N N 15 131.14 0.0 . . . . . A 3 LYS N . 17674 1 24 . 1 1 4 4 PRO HA H 1 4.716 0.0 . . . . . A 4 PRO HA . 17674 1 25 . 1 1 4 4 PRO HB3 H 1 2.171 0.0 . . . . . A 4 PRO HB3 . 17674 1 26 . 1 1 4 4 PRO C C 13 172.359 0.0 . . . . . A 4 PRO C . 17674 1 27 . 1 1 4 4 PRO CA C 13 60.687 0.0 . . . . . A 4 PRO CA . 17674 1 28 . 1 1 4 4 PRO CB C 13 30.627 0.0 . . . . . A 4 PRO CB . 17674 1 29 . 1 1 5 5 LYS H H 1 9.357 0.0 . . . . . A 5 LYS H . 17674 1 30 . 1 1 5 5 LYS HA H 1 5.062 0.0 . . . . . A 5 LYS HA . 17674 1 31 . 1 1 5 5 LYS HB2 H 1 1.507 0.0 . . . . . A 5 LYS HB2 . 17674 1 32 . 1 1 5 5 LYS HB3 H 1 1.835 0.0 . . . . . A 5 LYS HB3 . 17674 1 33 . 1 1 5 5 LYS C C 13 171.776 0.0 . . . . . A 5 LYS C . 17674 1 34 . 1 1 5 5 LYS CA C 13 51.445 0.0 . . . . . A 5 LYS CA . 17674 1 35 . 1 1 5 5 LYS CB C 13 34.945 0.0 . . . . . A 5 LYS CB . 17674 1 36 . 1 1 5 5 LYS N N 15 119.1 0.0 . . . . . A 5 LYS N . 17674 1 37 . 1 1 6 6 LEU H H 1 8.944 0.0 . . . . . A 6 LEU H . 17674 1 38 . 1 1 6 6 LEU HA H 1 4.984 0.0 . . . . . A 6 LEU HA . 17674 1 39 . 1 1 6 6 LEU HB2 H 1 1.641 0.0 . . . . . A 6 LEU HB2 . 17674 1 40 . 1 1 6 6 LEU HB3 H 1 1.806 0.0 . . . . . A 6 LEU HB3 . 17674 1 41 . 1 1 6 6 LEU HD11 H 1 0.769 0.0 . . . . . A 6 LEU HD11 . 17674 1 42 . 1 1 6 6 LEU HD12 H 1 0.769 0.0 . . . . . A 6 LEU HD12 . 17674 1 43 . 1 1 6 6 LEU HD13 H 1 0.769 0.0 . . . . . A 6 LEU HD13 . 17674 1 44 . 1 1 6 6 LEU HD21 H 1 0.646 0.0 . . . . . A 6 LEU HD21 . 17674 1 45 . 1 1 6 6 LEU HD22 H 1 0.646 0.0 . . . . . A 6 LEU HD22 . 17674 1 46 . 1 1 6 6 LEU HD23 H 1 0.646 0.0 . . . . . A 6 LEU HD23 . 17674 1 47 . 1 1 6 6 LEU C C 13 174.676 0.0 . . . . . A 6 LEU C . 17674 1 48 . 1 1 6 6 LEU CA C 13 50.259 0.0 . . . . . A 6 LEU CA . 17674 1 49 . 1 1 6 6 LEU CB C 13 41.472 0.0 . . . . . A 6 LEU CB . 17674 1 50 . 1 1 6 6 LEU N N 15 117.4 0.0 . . . . . A 6 LEU N . 17674 1 51 . 1 1 7 7 LEU H H 1 10.297 0.0 . . . . . A 7 LEU H . 17674 1 52 . 1 1 7 7 LEU HA H 1 5.083 0.0 . . . . . A 7 LEU HA . 17674 1 53 . 1 1 7 7 LEU HB2 H 1 1.335 0.0 . . . . . A 7 LEU HB2 . 17674 1 54 . 1 1 7 7 LEU HB3 H 1 1.65 0.0 . . . . . A 7 LEU HB3 . 17674 1 55 . 1 1 7 7 LEU HG H 1 1.46 0.0 . . . . . A 7 LEU HG . 17674 1 56 . 1 1 7 7 LEU HD11 H 1 0.625 0.0 . . . . . A 7 LEU HD11 . 17674 1 57 . 1 1 7 7 LEU HD12 H 1 0.625 0.0 . . . . . A 7 LEU HD12 . 17674 1 58 . 1 1 7 7 LEU HD13 H 1 0.625 0.0 . . . . . A 7 LEU HD13 . 17674 1 59 . 1 1 7 7 LEU HD21 H 1 0.528 0.0 . . . . . A 7 LEU HD21 . 17674 1 60 . 1 1 7 7 LEU HD22 H 1 0.528 0.0 . . . . . A 7 LEU HD22 . 17674 1 61 . 1 1 7 7 LEU HD23 H 1 0.528 0.0 . . . . . A 7 LEU HD23 . 17674 1 62 . 1 1 7 7 LEU C C 13 172.29 0.0 . . . . . A 7 LEU C . 17674 1 63 . 1 1 7 7 LEU CA C 13 53.596 0.0 . . . . . A 7 LEU CA . 17674 1 64 . 1 1 7 7 LEU N N 15 125.0 0.0 . . . . . A 7 LEU N . 17674 1 65 . 1 1 8 8 TYR H H 1 8.483 0.0 . . . . . A 8 TYR H . 17674 1 66 . 1 1 8 8 TYR HA H 1 4.592 0.0 . . . . . A 8 TYR HA . 17674 1 67 . 1 1 8 8 TYR HB2 H 1 2.922 0.0 . . . . . A 8 TYR HB2 . 17674 1 68 . 1 1 8 8 TYR HB3 H 1 3.405 0.0 . . . . . A 8 TYR HB3 . 17674 1 69 . 1 1 8 8 TYR C C 13 171.27 0.0 . . . . . A 8 TYR C . 17674 1 70 . 1 1 8 8 TYR CA C 13 54.761 0.0 . . . . . A 8 TYR CA . 17674 1 71 . 1 1 8 8 TYR CB C 13 37.988 0.0 . . . . . A 8 TYR CB . 17674 1 72 . 1 1 8 8 TYR N N 15 125.0 0.0 . . . . . A 8 TYR N . 17674 1 73 . 1 1 9 9 CYS H H 1 9.235 0.0 . . . . . A 9 CYS H . 17674 1 74 . 1 1 9 9 CYS HA H 1 4.163 0.0 . . . . . A 9 CYS HA . 17674 1 75 . 1 1 9 9 CYS HB2 H 1 2.52 0.0 . . . . . A 9 CYS HB2 . 17674 1 76 . 1 1 9 9 CYS HB3 H 1 2.581 0.0 . . . . . A 9 CYS HB3 . 17674 1 77 . 1 1 9 9 CYS C C 13 172.619 0.0 . . . . . A 9 CYS C . 17674 1 78 . 1 1 9 9 CYS CA C 13 55.588 0.0 . . . . . A 9 CYS CA . 17674 1 79 . 1 1 9 9 CYS CB C 13 26.864 0.0 . . . . . A 9 CYS CB . 17674 1 80 . 1 1 9 9 CYS N N 15 130.104 0.0 . . . . . A 9 CYS N . 17674 1 81 . 1 1 10 10 SER H H 1 8.173 0.0 . . . . . A 10 SER H . 17674 1 82 . 1 1 10 10 SER HA H 1 3.92 0.0 . . . . . A 10 SER HA . 17674 1 83 . 1 1 10 10 SER HB2 H 1 3.9 0.0 . . . . . A 10 SER HB2 . 17674 1 84 . 1 1 10 10 SER C C 13 172.21 0.0 . . . . . A 10 SER C . 17674 1 85 . 1 1 10 10 SER CA C 13 57.853 0.0 . . . . . A 10 SER CA . 17674 1 86 . 1 1 10 10 SER CB C 13 61.82 0.0 . . . . . A 10 SER CB . 17674 1 87 . 1 1 10 10 SER N N 15 122.6 0.0 . . . . . A 10 SER N . 17674 1 88 . 1 1 11 11 ASN H H 1 7.45 0.0 . . . . . A 11 ASN H . 17674 1 89 . 1 1 11 11 ASN HA H 1 4.36 0.0 . . . . . A 11 ASN HA . 17674 1 90 . 1 1 11 11 ASN CA C 13 52.43 0.0 . . . . . A 11 ASN CA . 17674 1 91 . 1 1 11 11 ASN N N 15 119.55 0.0 . . . . . A 11 ASN N . 17674 1 92 . 1 1 12 12 GLY H H 1 7.096 0.0 . . . . . A 12 GLY H . 17674 1 93 . 1 1 12 12 GLY HA3 H 1 3.927 0.0 . . . . . A 12 GLY HA3 . 17674 1 94 . 1 1 12 12 GLY C C 13 171.806 0.0 . . . . . A 12 GLY C . 17674 1 95 . 1 1 12 12 GLY CA C 13 41.915 0.0 . . . . . A 12 GLY CA . 17674 1 96 . 1 1 12 12 GLY N N 15 109.3 0.0 . . . . . A 12 GLY N . 17674 1 97 . 1 1 13 13 GLY H H 1 7.096 0.0 . . . . . A 13 GLY H . 17674 1 98 . 1 1 13 13 GLY HA2 H 1 3.598 0.0 . . . . . A 13 GLY HA2 . 17674 1 99 . 1 1 13 13 GLY HA3 H 1 3.204 0.0 . . . . . A 13 GLY HA3 . 17674 1 100 . 1 1 13 13 GLY C C 13 170.445 0.0 . . . . . A 13 GLY C . 17674 1 101 . 1 1 13 13 GLY CA C 13 44.272 0.0 . . . . . A 13 GLY CA . 17674 1 102 . 1 1 13 13 GLY N N 15 109.3 0.0 . . . . . A 13 GLY N . 17674 1 103 . 1 1 14 14 HIS H H 1 6.302 0.0 . . . . . A 14 HIS H . 17674 1 104 . 1 1 14 14 HIS HA H 1 4.104 0.0 . . . . . A 14 HIS HA . 17674 1 105 . 1 1 14 14 HIS HB2 H 1 2.488 0.0 . . . . . A 14 HIS HB2 . 17674 1 106 . 1 1 14 14 HIS HB3 H 1 2.651 0.0 . . . . . A 14 HIS HB3 . 17674 1 107 . 1 1 14 14 HIS C C 13 171.281 0.0 . . . . . A 14 HIS C . 17674 1 108 . 1 1 14 14 HIS CA C 13 54.319 0.0 . . . . . A 14 HIS CA . 17674 1 109 . 1 1 14 14 HIS CB C 13 31.792 0.0 . . . . . A 14 HIS CB . 17674 1 110 . 1 1 14 14 HIS N N 15 113.6 0.0 . . . . . A 14 HIS N . 17674 1 111 . 1 1 15 15 PHE H H 1 9.298 0.0 . . . . . A 15 PHE H . 17674 1 112 . 1 1 15 15 PHE HA H 1 5.39 0.0 . . . . . A 15 PHE HA . 17674 1 113 . 1 1 15 15 PHE HB2 H 1 2.936 0.0 . . . . . A 15 PHE HB2 . 17674 1 114 . 1 1 15 15 PHE HB3 H 1 3.547 0.0 . . . . . A 15 PHE HB3 . 17674 1 115 . 1 1 15 15 PHE C C 13 173.938 0.0 . . . . . A 15 PHE C . 17674 1 116 . 1 1 15 15 PHE CA C 13 54.273 0.0 . . . . . A 15 PHE CA . 17674 1 117 . 1 1 15 15 PHE CB C 13 37.632 0.0 . . . . . A 15 PHE CB . 17674 1 118 . 1 1 15 15 PHE N N 15 120.7 0.0 . . . . . A 15 PHE N . 17674 1 119 . 1 1 16 16 LEU H H 1 8.48 0.0 . . . . . A 16 LEU H . 17674 1 120 . 1 1 16 16 LEU HA H 1 4.394 0.0 . . . . . A 16 LEU HA . 17674 1 121 . 1 1 16 16 LEU HB2 H 1 1.384 0.0 . . . . . A 16 LEU HB2 . 17674 1 122 . 1 1 16 16 LEU HB3 H 1 1.897 0.0 . . . . . A 16 LEU HB3 . 17674 1 123 . 1 1 16 16 LEU C C 13 171.758 0.0 . . . . . A 16 LEU C . 17674 1 124 . 1 1 16 16 LEU CA C 13 54.44 0.0 . . . . . A 16 LEU CA . 17674 1 125 . 1 1 16 16 LEU CB C 13 41.301 0.0 . . . . . A 16 LEU CB . 17674 1 126 . 1 1 16 16 LEU N N 15 124.7 0.0 . . . . . A 16 LEU N . 17674 1 127 . 1 1 17 17 ARG H H 1 9.339 0.0 . . . . . A 17 ARG H . 17674 1 128 . 1 1 17 17 ARG HA H 1 4.715 0.0 . . . . . A 17 ARG HA . 17674 1 129 . 1 1 17 17 ARG HB2 H 1 1.236 0.0 . . . . . A 17 ARG HB2 . 17674 1 130 . 1 1 17 17 ARG HB3 H 1 2.587 0.0 . . . . . A 17 ARG HB3 . 17674 1 131 . 1 1 17 17 ARG HG2 H 1 1.23 0.0 . . . . . A 17 ARG HG2 . 17674 1 132 . 1 1 17 17 ARG HG3 H 1 1.503 0.0 . . . . . A 17 ARG HG3 . 17674 1 133 . 1 1 17 17 ARG HD2 H 1 3.196 0.0 . . . . . A 17 ARG HD2 . 17674 1 134 . 1 1 17 17 ARG HD3 H 1 3.416 0.0 . . . . . A 17 ARG HD3 . 17674 1 135 . 1 1 17 17 ARG C C 13 171.302 0.0 . . . . . A 17 ARG C . 17674 1 136 . 1 1 17 17 ARG CA C 13 53.301 0.0 . . . . . A 17 ARG CA . 17674 1 137 . 1 1 17 17 ARG CB C 13 32.62 0.0 . . . . . A 17 ARG CB . 17674 1 138 . 1 1 17 17 ARG N N 15 126.971 0.0 . . . . . A 17 ARG N . 17674 1 139 . 1 1 18 18 ILE H H 1 6.989 0.0 . . . . . A 18 ILE H . 17674 1 140 . 1 1 18 18 ILE HA H 1 4.563 0.0 . . . . . A 18 ILE HA . 17674 1 141 . 1 1 18 18 ILE HB H 1 1.653 0.0 . . . . . A 18 ILE HB . 17674 1 142 . 1 1 18 18 ILE HG21 H 1 0.641 0.0 . . . . . A 18 ILE HG21 . 17674 1 143 . 1 1 18 18 ILE HG22 H 1 0.641 0.0 . . . . . A 18 ILE HG22 . 17674 1 144 . 1 1 18 18 ILE HG23 H 1 0.641 0.0 . . . . . A 18 ILE HG23 . 17674 1 145 . 1 1 18 18 ILE C C 13 173.747 0.0 . . . . . A 18 ILE C . 17674 1 146 . 1 1 18 18 ILE CA C 13 57.903 0.0 . . . . . A 18 ILE CA . 17674 1 147 . 1 1 18 18 ILE N N 15 120.966 0.0 . . . . . A 18 ILE N . 17674 1 148 . 1 1 19 19 LEU H H 1 8.94 0.0 . . . . . A 19 LEU H . 17674 1 149 . 1 1 19 19 LEU CA C 13 51.419 0.0 . . . . . A 19 LEU CA . 17674 1 150 . 1 1 19 19 LEU N N 15 128.097 0.0 . . . . . A 19 LEU N . 17674 1 151 . 1 1 20 20 PRO HA H 1 4.319 0.0 . . . . . A 20 PRO HA . 17674 1 152 . 1 1 20 20 PRO HB2 H 1 1.971 0.0 . . . . . A 20 PRO HB2 . 17674 1 153 . 1 1 20 20 PRO HB3 H 1 2.343 0.0 . . . . . A 20 PRO HB3 . 17674 1 154 . 1 1 20 20 PRO HG2 H 1 1.939 0.0 . . . . . A 20 PRO HG2 . 17674 1 155 . 1 1 20 20 PRO HD2 H 1 3.673 0.0 . . . . . A 20 PRO HD2 . 17674 1 156 . 1 1 20 20 PRO C C 13 173.966 0.0 . . . . . A 20 PRO C . 17674 1 157 . 1 1 20 20 PRO CA C 13 62.71 0.0 . . . . . A 20 PRO CA . 17674 1 158 . 1 1 20 20 PRO CB C 13 29.518 0.0 . . . . . A 20 PRO CB . 17674 1 159 . 1 1 21 21 ASP H H 1 7.415 0.0 . . . . . A 21 ASP H . 17674 1 160 . 1 1 21 21 ASP HA H 1 4.513 0.0 . . . . . A 21 ASP HA . 17674 1 161 . 1 1 21 21 ASP HB2 H 1 2.606 0.0 . . . . . A 21 ASP HB2 . 17674 1 162 . 1 1 21 21 ASP HB3 H 1 3.094 0.0 . . . . . A 21 ASP HB3 . 17674 1 163 . 1 1 21 21 ASP C C 13 174.57 0.0 . . . . . A 21 ASP C . 17674 1 164 . 1 1 21 21 ASP CA C 13 51.361 0.0 . . . . . A 21 ASP CA . 17674 1 165 . 1 1 21 21 ASP CB C 13 37.419 0.0 . . . . . A 21 ASP CB . 17674 1 166 . 1 1 21 21 ASP N N 15 114.0 0.0 . . . . . A 21 ASP N . 17674 1 167 . 1 1 22 22 GLY H H 1 8.404 0.0 . . . . . A 22 GLY H . 17674 1 168 . 1 1 22 22 GLY HA2 H 1 4.632 0.0 . . . . . A 22 GLY HA2 . 17674 1 169 . 1 1 22 22 GLY HA3 H 1 3.838 0.0 . . . . . A 22 GLY HA3 . 17674 1 170 . 1 1 22 22 GLY C C 13 172.565 0.0 . . . . . A 22 GLY C . 17674 1 171 . 1 1 22 22 GLY CA C 13 43.166 0.0 . . . . . A 22 GLY CA . 17674 1 172 . 1 1 22 22 GLY N N 15 109.1 0.0 . . . . . A 22 GLY N . 17674 1 173 . 1 1 23 23 THR H H 1 7.894 0.0 . . . . . A 23 THR H . 17674 1 174 . 1 1 23 23 THR HA H 1 4.489 0.0 . . . . . A 23 THR HA . 17674 1 175 . 1 1 23 23 THR HB H 1 4.206 0.0 . . . . . A 23 THR HB . 17674 1 176 . 1 1 23 23 THR HG21 H 1 1.154 0.0 . . . . . A 23 THR HG21 . 17674 1 177 . 1 1 23 23 THR HG22 H 1 1.154 0.0 . . . . . A 23 THR HG22 . 17674 1 178 . 1 1 23 23 THR HG23 H 1 1.154 0.0 . . . . . A 23 THR HG23 . 17674 1 179 . 1 1 23 23 THR C C 13 170.17 0.0 . . . . . A 23 THR C . 17674 1 180 . 1 1 23 23 THR CA C 13 61.304 0.0 . . . . . A 23 THR CA . 17674 1 181 . 1 1 23 23 THR CB C 13 67.455 0.0 . . . . . A 23 THR CB . 17674 1 182 . 1 1 23 23 THR N N 15 116.8 0.0 . . . . . A 23 THR N . 17674 1 183 . 1 1 24 24 VAL H H 1 7.792 0.0 . . . . . A 24 VAL H . 17674 1 184 . 1 1 24 24 VAL HA H 1 5.084 0.0 . . . . . A 24 VAL HA . 17674 1 185 . 1 1 24 24 VAL HB H 1 1.601 0.0 . . . . . A 24 VAL HB . 17674 1 186 . 1 1 24 24 VAL HG11 H 1 0.83 0.0 . . . . . A 24 VAL HG11 . 17674 1 187 . 1 1 24 24 VAL HG12 H 1 0.83 0.0 . . . . . A 24 VAL HG12 . 17674 1 188 . 1 1 24 24 VAL HG13 H 1 0.83 0.0 . . . . . A 24 VAL HG13 . 17674 1 189 . 1 1 24 24 VAL C C 13 171.629 0.0 . . . . . A 24 VAL C . 17674 1 190 . 1 1 24 24 VAL CA C 13 58.203 0.0 . . . . . A 24 VAL CA . 17674 1 191 . 1 1 24 24 VAL CB C 13 31.847 0.0 . . . . . A 24 VAL CB . 17674 1 192 . 1 1 24 24 VAL N N 15 123.1 0.0 . . . . . A 24 VAL N . 17674 1 193 . 1 1 25 25 ASP H H 1 8.906 0.0 . . . . . A 25 ASP H . 17674 1 194 . 1 1 25 25 ASP HA H 1 4.313 0.0 . . . . . A 25 ASP HA . 17674 1 195 . 1 1 25 25 ASP HB2 H 1 2.734 0.0 . . . . . A 25 ASP HB2 . 17674 1 196 . 1 1 25 25 ASP HB3 H 1 3.018 0.0 . . . . . A 25 ASP HB3 . 17674 1 197 . 1 1 25 25 ASP C C 13 170.281 0.0 . . . . . A 25 ASP C . 17674 1 198 . 1 1 25 25 ASP CA C 13 50.847 0.0 . . . . . A 25 ASP CA . 17674 1 199 . 1 1 25 25 ASP CB C 13 38.73 0.0 . . . . . A 25 ASP CB . 17674 1 200 . 1 1 25 25 ASP N N 15 131.2 0.0 . . . . . A 25 ASP N . 17674 1 201 . 1 1 26 26 GLY H H 1 7.891 0.0 . . . . . A 26 GLY H . 17674 1 202 . 1 1 26 26 GLY HA2 H 1 5.029 0.0 . . . . . A 26 GLY HA2 . 17674 1 203 . 1 1 26 26 GLY HA3 H 1 3.015 0.0 . . . . . A 26 GLY HA3 . 17674 1 204 . 1 1 26 26 GLY C C 13 169.975 0.0 . . . . . A 26 GLY C . 17674 1 205 . 1 1 26 26 GLY CA C 13 42.057 0.0 . . . . . A 26 GLY CA . 17674 1 206 . 1 1 26 26 GLY N N 15 102.5 0.0 . . . . . A 26 GLY N . 17674 1 207 . 1 1 27 27 THR H H 1 8.529 0.0 . . . . . A 27 THR H . 17674 1 208 . 1 1 27 27 THR HA H 1 5.189 0.0 . . . . . A 27 THR HA . 17674 1 209 . 1 1 27 27 THR HB H 1 3.986 0.0 . . . . . A 27 THR HB . 17674 1 210 . 1 1 27 27 THR HG21 H 1 1.344 0.0 . . . . . A 27 THR HG21 . 17674 1 211 . 1 1 27 27 THR HG22 H 1 1.344 0.0 . . . . . A 27 THR HG22 . 17674 1 212 . 1 1 27 27 THR HG23 H 1 1.344 0.0 . . . . . A 27 THR HG23 . 17674 1 213 . 1 1 27 27 THR C C 13 170.554 0.0 . . . . . A 27 THR C . 17674 1 214 . 1 1 27 27 THR CA C 13 56.74 0.0 . . . . . A 27 THR CA . 17674 1 215 . 1 1 27 27 THR CB C 13 67.326 0.0 . . . . . A 27 THR CB . 17674 1 216 . 1 1 27 27 THR N N 15 112.7 0.0 . . . . . A 27 THR N . 17674 1 217 . 1 1 28 28 ARG H H 1 8.993 0.0 . . . . . A 28 ARG H . 17674 1 218 . 1 1 28 28 ARG HA H 1 4.691 0.0 . . . . . A 28 ARG HA . 17674 1 219 . 1 1 28 28 ARG HB2 H 1 1.744 0.0 . . . . . A 28 ARG HB2 . 17674 1 220 . 1 1 28 28 ARG HB3 H 1 2.078 0.0 . . . . . A 28 ARG HB3 . 17674 1 221 . 1 1 28 28 ARG C C 13 173.45 0.0 . . . . . A 28 ARG C . 17674 1 222 . 1 1 28 28 ARG CA C 13 54.938 0.0 . . . . . A 28 ARG CA . 17674 1 223 . 1 1 28 28 ARG CB C 13 34.26 0.0 . . . . . A 28 ARG CB . 17674 1 224 . 1 1 28 28 ARG N N 15 127.5 0.0 . . . . . A 28 ARG N . 17674 1 225 . 1 1 29 29 ASP H H 1 8.323 0.0 . . . . . A 29 ASP H . 17674 1 226 . 1 1 29 29 ASP HA H 1 4.661 0.0 . . . . . A 29 ASP HA . 17674 1 227 . 1 1 29 29 ASP HB2 H 1 2.671 0.0 . . . . . A 29 ASP HB2 . 17674 1 228 . 1 1 29 29 ASP HB3 H 1 3.222 0.0 . . . . . A 29 ASP HB3 . 17674 1 229 . 1 1 29 29 ASP C C 13 172.275 0.0 . . . . . A 29 ASP C . 17674 1 230 . 1 1 29 29 ASP CA C 13 50.779 0.0 . . . . . A 29 ASP CA . 17674 1 231 . 1 1 29 29 ASP CB C 13 38.511 0.0 . . . . . A 29 ASP CB . 17674 1 232 . 1 1 29 29 ASP N N 15 121.0 0.0 . . . . . A 29 ASP N . 17674 1 233 . 1 1 30 30 ARG H H 1 8.342 0.0 . . . . . A 30 ARG H . 17674 1 234 . 1 1 30 30 ARG HA H 1 3.592 0.0 . . . . . A 30 ARG HA . 17674 1 235 . 1 1 30 30 ARG HB3 H 1 1.777 0.0 . . . . . A 30 ARG HB3 . 17674 1 236 . 1 1 30 30 ARG HG2 H 1 1.446 0.0 . . . . . A 30 ARG HG2 . 17674 1 237 . 1 1 30 30 ARG HD2 H 1 3.124 0.0 . . . . . A 30 ARG HD2 . 17674 1 238 . 1 1 30 30 ARG C C 13 173.454 0.0 . . . . . A 30 ARG C . 17674 1 239 . 1 1 30 30 ARG CA C 13 54.924 0.0 . . . . . A 30 ARG CA . 17674 1 240 . 1 1 30 30 ARG CB C 13 28.367 0.0 . . . . . A 30 ARG CB . 17674 1 241 . 1 1 30 30 ARG N N 15 126.1 0.0 . . . . . A 30 ARG N . 17674 1 242 . 1 1 31 31 SER H H 1 8.379 0.0 . . . . . A 31 SER H . 17674 1 243 . 1 1 31 31 SER HA H 1 4.397 0.0 . . . . . A 31 SER HA . 17674 1 244 . 1 1 31 31 SER HB2 H 1 4.033 0.0 . . . . . A 31 SER HB2 . 17674 1 245 . 1 1 31 31 SER HB3 H 1 4.033 0.0 . . . . . A 31 SER HB3 . 17674 1 246 . 1 1 31 31 SER C C 13 171.758 0.0 . . . . . A 31 SER C . 17674 1 247 . 1 1 31 31 SER CA C 13 55.918 0.0 . . . . . A 31 SER CA . 17674 1 248 . 1 1 31 31 SER CB C 13 61.807 0.0 . . . . . A 31 SER CB . 17674 1 249 . 1 1 31 31 SER N N 15 113.6 0.0 . . . . . A 31 SER N . 17674 1 250 . 1 1 32 32 ASP H H 1 7.105 0.0 . . . . . A 32 ASP H . 17674 1 251 . 1 1 32 32 ASP HA H 1 4.276 0.0 . . . . . A 32 ASP HA . 17674 1 252 . 1 1 32 32 ASP HB2 H 1 2.707 0.0 . . . . . A 32 ASP HB2 . 17674 1 253 . 1 1 32 32 ASP HB3 H 1 2.771 0.0 . . . . . A 32 ASP HB3 . 17674 1 254 . 1 1 32 32 ASP C C 13 174.497 0.0 . . . . . A 32 ASP C . 17674 1 255 . 1 1 32 32 ASP CA C 13 53.116 0.0 . . . . . A 32 ASP CA . 17674 1 256 . 1 1 32 32 ASP CB C 13 41.585 0.0 . . . . . A 32 ASP CB . 17674 1 257 . 1 1 32 32 ASP N N 15 125.0 0.0 . . . . . A 32 ASP N . 17674 1 258 . 1 1 33 33 GLN H H 1 8.775 0.0 . . . . . A 33 GLN H . 17674 1 259 . 1 1 33 33 GLN HA H 1 4.061 0.0 . . . . . A 33 GLN HA . 17674 1 260 . 1 1 33 33 GLN HB2 H 1 1.643 0.0 . . . . . A 33 GLN HB2 . 17674 1 261 . 1 1 33 33 GLN HB3 H 1 1.52 0.0 . . . . . A 33 GLN HB3 . 17674 1 262 . 1 1 33 33 GLN HG2 H 1 2.098 0.0 . . . . . A 33 GLN HG2 . 17674 1 263 . 1 1 33 33 GLN HE21 H 1 7.36 0.0 . . . . . A 33 GLN HE21 . 17674 1 264 . 1 1 33 33 GLN HE22 H 1 6.66 0.0 . . . . . A 33 GLN HE22 . 17674 1 265 . 1 1 33 33 GLN C C 13 174.9 0.0 . . . . . A 33 GLN C . 17674 1 266 . 1 1 33 33 GLN CA C 13 55.127 0.0 . . . . . A 33 GLN CA . 17674 1 267 . 1 1 33 33 GLN CB C 13 26.601 0.0 . . . . . A 33 GLN CB . 17674 1 268 . 1 1 33 33 GLN N N 15 124.7 0.0 . . . . . A 33 GLN N . 17674 1 269 . 1 1 33 33 GLN NE2 N 15 112.0 0.0 . . . . . A 33 GLN NE2 . 17674 1 270 . 1 1 34 34 HIS H H 1 9.681 0.0 . . . . . A 34 HIS H . 17674 1 271 . 1 1 34 34 HIS HA H 1 4.885 0.0 . . . . . A 34 HIS HA . 17674 1 272 . 1 1 34 34 HIS HB2 H 1 3.037 0.0 . . . . . A 34 HIS HB2 . 17674 1 273 . 1 1 34 34 HIS HB3 H 1 3.964 0.0 . . . . . A 34 HIS HB3 . 17674 1 274 . 1 1 34 34 HIS C C 13 172.307 0.0 . . . . . A 34 HIS C . 17674 1 275 . 1 1 34 34 HIS CA C 13 55.739 0.0 . . . . . A 34 HIS CA . 17674 1 276 . 1 1 34 34 HIS CB C 13 26.065 0.0 . . . . . A 34 HIS CB . 17674 1 277 . 1 1 34 34 HIS N N 15 116.7 0.0 . . . . . A 34 HIS N . 17674 1 278 . 1 1 35 35 ILE H H 1 6.711 0.0 . . . . . A 35 ILE H . 17674 1 279 . 1 1 35 35 ILE HA H 1 5.114 0.0 . . . . . A 35 ILE HA . 17674 1 280 . 1 1 35 35 ILE HB H 1 2.427 0.0 . . . . . A 35 ILE HB . 17674 1 281 . 1 1 35 35 ILE HG12 H 1 1.113 0.0 . . . . . A 35 ILE HG12 . 17674 1 282 . 1 1 35 35 ILE HG21 H 1 0.83 0.0 . . . . . A 35 ILE HG21 . 17674 1 283 . 1 1 35 35 ILE HG22 H 1 0.83 0.0 . . . . . A 35 ILE HG22 . 17674 1 284 . 1 1 35 35 ILE HG23 H 1 0.83 0.0 . . . . . A 35 ILE HG23 . 17674 1 285 . 1 1 35 35 ILE HD11 H 1 0.54 0.0 . . . . . A 35 ILE HD11 . 17674 1 286 . 1 1 35 35 ILE HD12 H 1 0.54 0.0 . . . . . A 35 ILE HD12 . 17674 1 287 . 1 1 35 35 ILE HD13 H 1 0.54 0.0 . . . . . A 35 ILE HD13 . 17674 1 288 . 1 1 35 35 ILE C C 13 172.249 0.0 . . . . . A 35 ILE C . 17674 1 289 . 1 1 35 35 ILE CA C 13 58.395 0.0 . . . . . A 35 ILE CA . 17674 1 290 . 1 1 35 35 ILE CB C 13 35.989 0.0 . . . . . A 35 ILE CB . 17674 1 291 . 1 1 35 35 ILE N N 15 108.6 0.0 . . . . . A 35 ILE N . 17674 1 292 . 1 1 36 36 GLN H H 1 7.178 0.0 . . . . . A 36 GLN H . 17674 1 293 . 1 1 36 36 GLN HA H 1 4.261 0.0 . . . . . A 36 GLN HA . 17674 1 294 . 1 1 36 36 GLN HB2 H 1 1.877 0.0 . . . . . A 36 GLN HB2 . 17674 1 295 . 1 1 36 36 GLN HB3 H 1 2.112 0.0 . . . . . A 36 GLN HB3 . 17674 1 296 . 1 1 36 36 GLN HG2 H 1 2.082 0.0 . . . . . A 36 GLN HG2 . 17674 1 297 . 1 1 36 36 GLN HE21 H 1 7.438 0.0 . . . . . A 36 GLN HE21 . 17674 1 298 . 1 1 36 36 GLN HE22 H 1 6.63 0.0 . . . . . A 36 GLN HE22 . 17674 1 299 . 1 1 36 36 GLN C C 13 172.952 0.0 . . . . . A 36 GLN C . 17674 1 300 . 1 1 36 36 GLN CA C 13 55.111 0.0 . . . . . A 36 GLN CA . 17674 1 301 . 1 1 36 36 GLN CB C 13 25.19 0.0 . . . . . A 36 GLN CB . 17674 1 302 . 1 1 36 36 GLN N N 15 120.018 0.0 . . . . . A 36 GLN N . 17674 1 303 . 1 1 36 36 GLN NE2 N 15 110.1 0.0 . . . . . A 36 GLN NE2 . 17674 1 304 . 1 1 37 37 LEU H H 1 9.11 0.0 . . . . . A 37 LEU H . 17674 1 305 . 1 1 37 37 LEU HA H 1 5.315 0.0 . . . . . A 37 LEU HA . 17674 1 306 . 1 1 37 37 LEU HB2 H 1 1.047 0.0 . . . . . A 37 LEU HB2 . 17674 1 307 . 1 1 37 37 LEU HB3 H 1 1.599 0.0 . . . . . A 37 LEU HB3 . 17674 1 308 . 1 1 37 37 LEU HD11 H 1 0.72 0.0 . . . . . A 37 LEU HD11 . 17674 1 309 . 1 1 37 37 LEU HD12 H 1 0.72 0.0 . . . . . A 37 LEU HD12 . 17674 1 310 . 1 1 37 37 LEU HD13 H 1 0.72 0.0 . . . . . A 37 LEU HD13 . 17674 1 311 . 1 1 37 37 LEU HD21 H 1 0.59 0.0 . . . . . A 37 LEU HD21 . 17674 1 312 . 1 1 37 37 LEU HD22 H 1 0.59 0.0 . . . . . A 37 LEU HD22 . 17674 1 313 . 1 1 37 37 LEU HD23 H 1 0.59 0.0 . . . . . A 37 LEU HD23 . 17674 1 314 . 1 1 37 37 LEU C C 13 172.877 0.0 . . . . . A 37 LEU C . 17674 1 315 . 1 1 37 37 LEU CA C 13 51.329 0.0 . . . . . A 37 LEU CA . 17674 1 316 . 1 1 37 37 LEU CB C 13 42.165 0.0 . . . . . A 37 LEU CB . 17674 1 317 . 1 1 37 37 LEU N N 15 127.6 0.0 . . . . . A 37 LEU N . 17674 1 318 . 1 1 38 38 GLN H H 1 9.556 0.0 . . . . . A 38 GLN H . 17674 1 319 . 1 1 38 38 GLN HA H 1 4.623 0.0 . . . . . A 38 GLN HA . 17674 1 320 . 1 1 38 38 GLN HB2 H 1 1.789 0.0 . . . . . A 38 GLN HB2 . 17674 1 321 . 1 1 38 38 GLN HB3 H 1 1.874 0.0 . . . . . A 38 GLN HB3 . 17674 1 322 . 1 1 38 38 GLN HG2 H 1 2.041 0.0 . . . . . A 38 GLN HG2 . 17674 1 323 . 1 1 38 38 GLN C C 13 172.676 0.0 . . . . . A 38 GLN C . 17674 1 324 . 1 1 38 38 GLN CA C 13 51.81 0.0 . . . . . A 38 GLN CA . 17674 1 325 . 1 1 38 38 GLN CB C 13 29.259 0.0 . . . . . A 38 GLN CB . 17674 1 326 . 1 1 38 38 GLN N N 15 120.583 0.0 . . . . . A 38 GLN N . 17674 1 327 . 1 1 39 39 LEU H H 1 8.926 0.0 . . . . . A 39 LEU H . 17674 1 328 . 1 1 39 39 LEU HA H 1 5.506 0.0 . . . . . A 39 LEU HA . 17674 1 329 . 1 1 39 39 LEU HB2 H 1 1.569 0.0 . . . . . A 39 LEU HB2 . 17674 1 330 . 1 1 39 39 LEU HB3 H 1 1.668 0.0 . . . . . A 39 LEU HB3 . 17674 1 331 . 1 1 39 39 LEU HD11 H 1 0.892 0.0 . . . . . A 39 LEU HD11 . 17674 1 332 . 1 1 39 39 LEU HD12 H 1 0.892 0.0 . . . . . A 39 LEU HD12 . 17674 1 333 . 1 1 39 39 LEU HD13 H 1 0.892 0.0 . . . . . A 39 LEU HD13 . 17674 1 334 . 1 1 39 39 LEU HD21 H 1 0.779 0.0 . . . . . A 39 LEU HD21 . 17674 1 335 . 1 1 39 39 LEU HD22 H 1 0.779 0.0 . . . . . A 39 LEU HD22 . 17674 1 336 . 1 1 39 39 LEU HD23 H 1 0.779 0.0 . . . . . A 39 LEU HD23 . 17674 1 337 . 1 1 39 39 LEU C C 13 174.601 0.0 . . . . . A 39 LEU C . 17674 1 338 . 1 1 39 39 LEU CA C 13 53.062 0.0 . . . . . A 39 LEU CA . 17674 1 339 . 1 1 39 39 LEU CB C 13 40.765 0.0 . . . . . A 39 LEU CB . 17674 1 340 . 1 1 39 39 LEU N N 15 131.7 0.0 . . . . . A 39 LEU N . 17674 1 341 . 1 1 40 40 SER H H 1 8.569 0.0 . . . . . A 40 SER H . 17674 1 342 . 1 1 40 40 SER HA H 1 4.676 0.0 . . . . . A 40 SER HA . 17674 1 343 . 1 1 40 40 SER HB2 H 1 3.809 0.0 . . . . . A 40 SER HB2 . 17674 1 344 . 1 1 40 40 SER HB3 H 1 3.873 0.0 . . . . . A 40 SER HB3 . 17674 1 345 . 1 1 40 40 SER C C 13 170.046 0.0 . . . . . A 40 SER C . 17674 1 346 . 1 1 40 40 SER CA C 13 54.925 0.0 . . . . . A 40 SER CA . 17674 1 347 . 1 1 40 40 SER CB C 13 59.614 0.0 . . . . . A 40 SER CB . 17674 1 348 . 1 1 40 40 SER N N 15 115.9 0.0 . . . . . A 40 SER N . 17674 1 349 . 1 1 41 41 ALA H H 1 8.357 0.0 . . . . . A 41 ALA H . 17674 1 350 . 1 1 41 41 ALA HA H 1 5.016 0.0 . . . . . A 41 ALA HA . 17674 1 351 . 1 1 41 41 ALA HB1 H 1 1.34 0.0 . . . . . A 41 ALA HB1 . 17674 1 352 . 1 1 41 41 ALA HB2 H 1 1.34 0.0 . . . . . A 41 ALA HB2 . 17674 1 353 . 1 1 41 41 ALA HB3 H 1 1.34 0.0 . . . . . A 41 ALA HB3 . 17674 1 354 . 1 1 41 41 ALA C C 13 175.352 0.0 . . . . . A 41 ALA C . 17674 1 355 . 1 1 41 41 ALA CA C 13 49.309 0.0 . . . . . A 41 ALA CA . 17674 1 356 . 1 1 41 41 ALA CB C 13 17.456 0.0 . . . . . A 41 ALA CB . 17674 1 357 . 1 1 41 41 ALA N N 15 125.9 0.0 . . . . . A 41 ALA N . 17674 1 358 . 1 1 42 42 GLU H H 1 8.485 0.0 . . . . . A 42 GLU H . 17674 1 359 . 1 1 42 42 GLU HA H 1 4.444 0.0 . . . . . A 42 GLU HA . 17674 1 360 . 1 1 42 42 GLU HB2 H 1 1.814 0.0 . . . . . A 42 GLU HB2 . 17674 1 361 . 1 1 42 42 GLU HB3 H 1 2.2 0.0 . . . . . A 42 GLU HB3 . 17674 1 362 . 1 1 42 42 GLU HG2 H 1 2.324 0.0 . . . . . A 42 GLU HG2 . 17674 1 363 . 1 1 42 42 GLU HG3 H 1 2.2 0.0 . . . . . A 42 GLU HG3 . 17674 1 364 . 1 1 42 42 GLU C C 13 174.014 0.0 . . . . . A 42 GLU C . 17674 1 365 . 1 1 42 42 GLU CA C 13 54.611 0.0 . . . . . A 42 GLU CA . 17674 1 366 . 1 1 42 42 GLU CB C 13 28.181 0.0 . . . . . A 42 GLU CB . 17674 1 367 . 1 1 42 42 GLU N N 15 125.4 0.0 . . . . . A 42 GLU N . 17674 1 368 . 1 1 43 43 SER H H 1 8.02 0.0 . . . . . A 43 SER H . 17674 1 369 . 1 1 43 43 SER HA H 1 4.516 0.0 . . . . . A 43 SER HA . 17674 1 370 . 1 1 43 43 SER HB2 H 1 3.722 0.0 . . . . . A 43 SER HB2 . 17674 1 371 . 1 1 43 43 SER HB3 H 1 3.814 0.0 . . . . . A 43 SER HB3 . 17674 1 372 . 1 1 43 43 SER C C 13 171.119 0.0 . . . . . A 43 SER C . 17674 1 373 . 1 1 43 43 SER CA C 13 55.014 0.0 . . . . . A 43 SER CA . 17674 1 374 . 1 1 43 43 SER CB C 13 61.687 0.0 . . . . . A 43 SER CB . 17674 1 375 . 1 1 43 43 SER N N 15 113.9 0.0 . . . . . A 43 SER N . 17674 1 376 . 1 1 44 44 VAL H H 1 8.113 0.0 . . . . . A 44 VAL H . 17674 1 377 . 1 1 44 44 VAL HA H 1 3.868 0.0 . . . . . A 44 VAL HA . 17674 1 378 . 1 1 44 44 VAL HB H 1 2.057 0.0 . . . . . A 44 VAL HB . 17674 1 379 . 1 1 44 44 VAL HG11 H 1 1.154 0.0 . . . . . A 44 VAL HG11 . 17674 1 380 . 1 1 44 44 VAL HG12 H 1 1.154 0.0 . . . . . A 44 VAL HG12 . 17674 1 381 . 1 1 44 44 VAL HG13 H 1 1.154 0.0 . . . . . A 44 VAL HG13 . 17674 1 382 . 1 1 44 44 VAL HG21 H 1 1.082 0.0 . . . . . A 44 VAL HG21 . 17674 1 383 . 1 1 44 44 VAL HG22 H 1 1.082 0.0 . . . . . A 44 VAL HG22 . 17674 1 384 . 1 1 44 44 VAL HG23 H 1 1.082 0.0 . . . . . A 44 VAL HG23 . 17674 1 385 . 1 1 44 44 VAL C C 13 175.533 0.0 . . . . . A 44 VAL C . 17674 1 386 . 1 1 44 44 VAL CA C 13 62.838 0.0 . . . . . A 44 VAL CA . 17674 1 387 . 1 1 44 44 VAL CB C 13 28.991 0.0 . . . . . A 44 VAL CB . 17674 1 388 . 1 1 44 44 VAL N N 15 121.1 0.0 . . . . . A 44 VAL N . 17674 1 389 . 1 1 45 45 GLY H H 1 8.807 0.0 . . . . . A 45 GLY H . 17674 1 390 . 1 1 45 45 GLY HA2 H 1 4.296 0.0 . . . . . A 45 GLY HA2 . 17674 1 391 . 1 1 45 45 GLY HA3 H 1 3.995 0.0 . . . . . A 45 GLY HA3 . 17674 1 392 . 1 1 45 45 GLY C C 13 170.948 0.0 . . . . . A 45 GLY C . 17674 1 393 . 1 1 45 45 GLY CA C 13 43.553 0.0 . . . . . A 45 GLY CA . 17674 1 394 . 1 1 45 45 GLY N N 15 115.545 0.0 . . . . . A 45 GLY N . 17674 1 395 . 1 1 46 46 GLU H H 1 7.985 0.0 . . . . . A 46 GLU H . 17674 1 396 . 1 1 46 46 GLU HA H 1 5.442 0.0 . . . . . A 46 GLU HA . 17674 1 397 . 1 1 46 46 GLU HB2 H 1 1.82 0.0 . . . . . A 46 GLU HB2 . 17674 1 398 . 1 1 46 46 GLU HB3 H 1 1.842 0.0 . . . . . A 46 GLU HB3 . 17674 1 399 . 1 1 46 46 GLU HG2 H 1 2.149 0.0 . . . . . A 46 GLU HG2 . 17674 1 400 . 1 1 46 46 GLU HG3 H 1 2.087 0.0 . . . . . A 46 GLU HG3 . 17674 1 401 . 1 1 46 46 GLU C C 13 173.583 0.0 . . . . . A 46 GLU C . 17674 1 402 . 1 1 46 46 GLU CA C 13 52.751 0.0 . . . . . A 46 GLU CA . 17674 1 403 . 1 1 46 46 GLU CB C 13 29.432 0.0 . . . . . A 46 GLU CB . 17674 1 404 . 1 1 46 46 GLU N N 15 121.2 0.0 . . . . . A 46 GLU N . 17674 1 405 . 1 1 47 47 VAL H H 1 9.56 0.0 . . . . . A 47 VAL H . 17674 1 406 . 1 1 47 47 VAL HA H 1 5.505 0.0 . . . . . A 47 VAL HA . 17674 1 407 . 1 1 47 47 VAL HB H 1 2.296 0.0 . . . . . A 47 VAL HB . 17674 1 408 . 1 1 47 47 VAL HG11 H 1 0.979 0.0 . . . . . A 47 VAL HG11 . 17674 1 409 . 1 1 47 47 VAL HG12 H 1 0.979 0.0 . . . . . A 47 VAL HG12 . 17674 1 410 . 1 1 47 47 VAL HG13 H 1 0.979 0.0 . . . . . A 47 VAL HG13 . 17674 1 411 . 1 1 47 47 VAL HG21 H 1 0.871 0.0 . . . . . A 47 VAL HG21 . 17674 1 412 . 1 1 47 47 VAL HG22 H 1 0.871 0.0 . . . . . A 47 VAL HG22 . 17674 1 413 . 1 1 47 47 VAL HG23 H 1 0.871 0.0 . . . . . A 47 VAL HG23 . 17674 1 414 . 1 1 47 47 VAL C C 13 172.96 0.0 . . . . . A 47 VAL C . 17674 1 415 . 1 1 47 47 VAL CA C 13 56.846 0.0 . . . . . A 47 VAL CA . 17674 1 416 . 1 1 47 47 VAL CB C 13 33.714 0.0 . . . . . A 47 VAL CB . 17674 1 417 . 1 1 47 47 VAL N N 15 116.4 0.0 . . . . . A 47 VAL N . 17674 1 418 . 1 1 48 48 TYR H H 1 8.415 0.0 . . . . . A 48 TYR H . 17674 1 419 . 1 1 48 48 TYR HA H 1 5.29 0.0 . . . . . A 48 TYR HA . 17674 1 420 . 1 1 48 48 TYR HB2 H 1 3.035 0.0 . . . . . A 48 TYR HB2 . 17674 1 421 . 1 1 48 48 TYR HB3 H 1 3.286 0.0 . . . . . A 48 TYR HB3 . 17674 1 422 . 1 1 48 48 TYR C C 13 173.423 0.0 . . . . . A 48 TYR C . 17674 1 423 . 1 1 48 48 TYR CA C 13 54.331 0.0 . . . . . A 48 TYR CA . 17674 1 424 . 1 1 48 48 TYR CB C 13 39.296 0.0 . . . . . A 48 TYR CB . 17674 1 425 . 1 1 48 48 TYR N N 15 117.4 0.0 . . . . . A 48 TYR N . 17674 1 426 . 1 1 49 49 ILE H H 1 10.532 0.0 . . . . . A 49 ILE H . 17674 1 427 . 1 1 49 49 ILE HA H 1 4.341 0.0 . . . . . A 49 ILE HA . 17674 1 428 . 1 1 49 49 ILE HB H 1 1.65 0.0 . . . . . A 49 ILE HB . 17674 1 429 . 1 1 49 49 ILE HG12 H 1 1.231 0.0 . . . . . A 49 ILE HG12 . 17674 1 430 . 1 1 49 49 ILE HD11 H 1 -0.17 0.0 . . . . . A 49 ILE HD11 . 17674 1 431 . 1 1 49 49 ILE HD12 H 1 -0.17 0.0 . . . . . A 49 ILE HD12 . 17674 1 432 . 1 1 49 49 ILE HD13 H 1 -0.17 0.0 . . . . . A 49 ILE HD13 . 17674 1 433 . 1 1 49 49 ILE C C 13 170.853 0.0 . . . . . A 49 ILE C . 17674 1 434 . 1 1 49 49 ILE CA C 13 59.573 0.0 . . . . . A 49 ILE CA . 17674 1 435 . 1 1 49 49 ILE CB C 13 40.504 0.0 . . . . . A 49 ILE CB . 17674 1 436 . 1 1 49 49 ILE N N 15 123.1 0.0 . . . . . A 49 ILE N . 17674 1 437 . 1 1 50 50 LYS H H 1 9.111 0.0 . . . . . A 50 LYS H . 17674 1 438 . 1 1 50 50 LYS HA H 1 4.991 0.0 . . . . . A 50 LYS HA . 17674 1 439 . 1 1 50 50 LYS HB2 H 1 1.113 0.0 . . . . . A 50 LYS HB2 . 17674 1 440 . 1 1 50 50 LYS HB3 H 1 1.303 0.0 . . . . . A 50 LYS HB3 . 17674 1 441 . 1 1 50 50 LYS HG2 H 1 0.861 0.0 . . . . . A 50 LYS HG2 . 17674 1 442 . 1 1 50 50 LYS HG3 H 1 0.654 0.0 . . . . . A 50 LYS HG3 . 17674 1 443 . 1 1 50 50 LYS HD2 H 1 1.302 0.0 . . . . . A 50 LYS HD2 . 17674 1 444 . 1 1 50 50 LYS HE2 H 1 2.6 0.0 . . . . . A 50 LYS HE2 . 17674 1 445 . 1 1 50 50 LYS HE3 H 1 2.5 0.0 . . . . . A 50 LYS HE3 . 17674 1 446 . 1 1 50 50 LYS C C 13 173.759 0.0 . . . . . A 50 LYS C . 17674 1 447 . 1 1 50 50 LYS CA C 13 51.179 0.0 . . . . . A 50 LYS CA . 17674 1 448 . 1 1 50 50 LYS CB C 13 34.816 0.0 . . . . . A 50 LYS CB . 17674 1 449 . 1 1 50 50 LYS N N 15 122.8 0.0 . . . . . A 50 LYS N . 17674 1 450 . 1 1 51 51 SER H H 1 8.92 0.0 . . . . . A 51 SER H . 17674 1 451 . 1 1 51 51 SER HA H 1 4.666 0.0 . . . . . A 51 SER HA . 17674 1 452 . 1 1 51 51 SER HB2 H 1 3.883 0.0 . . . . . A 51 SER HB2 . 17674 1 453 . 1 1 51 51 SER HB3 H 1 3.883 0.0 . . . . . A 51 SER HB3 . 17674 1 454 . 1 1 51 51 SER C C 13 175.084 0.0 . . . . . A 51 SER C . 17674 1 455 . 1 1 51 51 SER CA C 13 55.043 0.0 . . . . . A 51 SER CA . 17674 1 456 . 1 1 51 51 SER CB C 13 61.065 0.0 . . . . . A 51 SER CB . 17674 1 457 . 1 1 51 51 SER N N 15 117.579 0.0 . . . . . A 51 SER N . 17674 1 458 . 1 1 52 52 THR H H 1 8.342 0.0 . . . . . A 52 THR H . 17674 1 459 . 1 1 52 52 THR HA H 1 3.996 0.0 . . . . . A 52 THR HA . 17674 1 460 . 1 1 52 52 THR HB H 1 4.193 0.0 . . . . . A 52 THR HB . 17674 1 461 . 1 1 52 52 THR HG21 H 1 1.446 0.0 . . . . . A 52 THR HG21 . 17674 1 462 . 1 1 52 52 THR HG22 H 1 1.446 0.0 . . . . . A 52 THR HG22 . 17674 1 463 . 1 1 52 52 THR HG23 H 1 1.446 0.0 . . . . . A 52 THR HG23 . 17674 1 464 . 1 1 52 52 THR C C 13 173.566 0.0 . . . . . A 52 THR C . 17674 1 465 . 1 1 52 52 THR CA C 13 62.792 0.0 . . . . . A 52 THR CA . 17674 1 466 . 1 1 52 52 THR CB C 13 65.611 0.0 . . . . . A 52 THR CB . 17674 1 467 . 1 1 52 52 THR N N 15 123.2 0.0 . . . . . A 52 THR N . 17674 1 468 . 1 1 53 53 GLU H H 1 8.312 0.0 . . . . . A 53 GLU H . 17674 1 469 . 1 1 53 53 GLU HA H 1 4.311 0.0 . . . . . A 53 GLU HA . 17674 1 470 . 1 1 53 53 GLU HB2 H 1 1.912 0.0 . . . . . A 53 GLU HB2 . 17674 1 471 . 1 1 53 53 GLU HB3 H 1 2.207 0.0 . . . . . A 53 GLU HB3 . 17674 1 472 . 1 1 53 53 GLU C C 13 175.327 0.0 . . . . . A 53 GLU C . 17674 1 473 . 1 1 53 53 GLU CA C 13 55.889 0.0 . . . . . A 53 GLU CA . 17674 1 474 . 1 1 53 53 GLU CB C 13 28.359 0.0 . . . . . A 53 GLU CB . 17674 1 475 . 1 1 53 53 GLU N N 15 122.0 0.0 . . . . . A 53 GLU N . 17674 1 476 . 1 1 54 54 THR H H 1 7.724 0.0 . . . . . A 54 THR H . 17674 1 477 . 1 1 54 54 THR HA H 1 4.681 0.0 . . . . . A 54 THR HA . 17674 1 478 . 1 1 54 54 THR HB H 1 4.528 0.0 . . . . . A 54 THR HB . 17674 1 479 . 1 1 54 54 THR HG21 H 1 1.184 0.0 . . . . . A 54 THR HG21 . 17674 1 480 . 1 1 54 54 THR HG22 H 1 1.184 0.0 . . . . . A 54 THR HG22 . 17674 1 481 . 1 1 54 54 THR HG23 H 1 1.184 0.0 . . . . . A 54 THR HG23 . 17674 1 482 . 1 1 54 54 THR C C 13 173.942 0.0 . . . . . A 54 THR C . 17674 1 483 . 1 1 54 54 THR CA C 13 58.555 0.0 . . . . . A 54 THR CA . 17674 1 484 . 1 1 54 54 THR CB C 13 69.03 0.0 . . . . . A 54 THR CB . 17674 1 485 . 1 1 54 54 THR N N 15 103.1 0.0 . . . . . A 54 THR N . 17674 1 486 . 1 1 55 55 GLY H H 1 7.643 0.0 . . . . . A 55 GLY H . 17674 1 487 . 1 1 55 55 GLY HA2 H 1 4.15 0.0 . . . . . A 55 GLY HA2 . 17674 1 488 . 1 1 55 55 GLY HA3 H 1 3.591 0.0 . . . . . A 55 GLY HA3 . 17674 1 489 . 1 1 55 55 GLY C C 13 170.694 0.0 . . . . . A 55 GLY C . 17674 1 490 . 1 1 55 55 GLY CA C 13 43.594 0.0 . . . . . A 55 GLY CA . 17674 1 491 . 1 1 55 55 GLY N N 15 110.7 0.0 . . . . . A 55 GLY N . 17674 1 492 . 1 1 56 56 GLN H H 1 7.281 0.0 . . . . . A 56 GLN H . 17674 1 493 . 1 1 56 56 GLN HA H 1 4.311 0.0 . . . . . A 56 GLN HA . 17674 1 494 . 1 1 56 56 GLN HB2 H 1 1.591 0.0 . . . . . A 56 GLN HB2 . 17674 1 495 . 1 1 56 56 GLN HB3 H 1 1.591 0.0 . . . . . A 56 GLN HB3 . 17674 1 496 . 1 1 56 56 GLN HE21 H 1 7.02 0.0 . . . . . A 56 GLN HE21 . 17674 1 497 . 1 1 56 56 GLN HE22 H 1 6.38 0.0 . . . . . A 56 GLN HE22 . 17674 1 498 . 1 1 56 56 GLN C C 13 172.141 0.0 . . . . . A 56 GLN C . 17674 1 499 . 1 1 56 56 GLN CA C 13 53.898 0.0 . . . . . A 56 GLN CA . 17674 1 500 . 1 1 56 56 GLN CB C 13 30.456 0.0 . . . . . A 56 GLN CB . 17674 1 501 . 1 1 56 56 GLN N N 15 115.0 0.0 . . . . . A 56 GLN N . 17674 1 502 . 1 1 56 56 GLN NE2 N 15 106.6 0.0 . . . . . A 56 GLN NE2 . 17674 1 503 . 1 1 57 57 TYR H H 1 9.254 0.0 . . . . . A 57 TYR H . 17674 1 504 . 1 1 57 57 TYR HA H 1 4.128 0.0 . . . . . A 57 TYR HA . 17674 1 505 . 1 1 57 57 TYR HB2 H 1 2.811 0.0 . . . . . A 57 TYR HB2 . 17674 1 506 . 1 1 57 57 TYR HB3 H 1 3.161 0.0 . . . . . A 57 TYR HB3 . 17674 1 507 . 1 1 57 57 TYR C C 13 173.32 0.0 . . . . . A 57 TYR C . 17674 1 508 . 1 1 57 57 TYR CA C 13 53.356 0.0 . . . . . A 57 TYR CA . 17674 1 509 . 1 1 57 57 TYR CB C 13 40.466 0.0 . . . . . A 57 TYR CB . 17674 1 510 . 1 1 57 57 TYR N N 15 119.4 0.0 . . . . . A 57 TYR N . 17674 1 511 . 1 1 58 58 LEU H H 1 9.126 0.0 . . . . . A 58 LEU H . 17674 1 512 . 1 1 58 58 LEU HA H 1 4.128 0.0 . . . . . A 58 LEU HA . 17674 1 513 . 1 1 58 58 LEU HB2 H 1 1.037 0.0 . . . . . A 58 LEU HB2 . 17674 1 514 . 1 1 58 58 LEU HB3 H 1 1.939 0.0 . . . . . A 58 LEU HB3 . 17674 1 515 . 1 1 58 58 LEU HG H 1 1.733 0.0 . . . . . A 58 LEU HG . 17674 1 516 . 1 1 58 58 LEU HD11 H 1 0.435 0.0 . . . . . A 58 LEU HD11 . 17674 1 517 . 1 1 58 58 LEU HD12 H 1 0.435 0.0 . . . . . A 58 LEU HD12 . 17674 1 518 . 1 1 58 58 LEU HD13 H 1 0.435 0.0 . . . . . A 58 LEU HD13 . 17674 1 519 . 1 1 58 58 LEU C C 13 172.32 0.0 . . . . . A 58 LEU C . 17674 1 520 . 1 1 58 58 LEU CA C 13 53.256 0.0 . . . . . A 58 LEU CA . 17674 1 521 . 1 1 58 58 LEU CB C 13 40.466 0.0 . . . . . A 58 LEU CB . 17674 1 522 . 1 1 58 58 LEU N N 15 123.6 0.0 . . . . . A 58 LEU N . 17674 1 523 . 1 1 59 59 ALA H H 1 8.656 0.0 . . . . . A 59 ALA H . 17674 1 524 . 1 1 59 59 ALA HA H 1 5.124 0.0 . . . . . A 59 ALA HA . 17674 1 525 . 1 1 59 59 ALA HB1 H 1 0.611 0.0 . . . . . A 59 ALA HB1 . 17674 1 526 . 1 1 59 59 ALA HB2 H 1 0.611 0.0 . . . . . A 59 ALA HB2 . 17674 1 527 . 1 1 59 59 ALA HB3 H 1 0.611 0.0 . . . . . A 59 ALA HB3 . 17674 1 528 . 1 1 59 59 ALA C C 13 172.722 0.0 . . . . . A 59 ALA C . 17674 1 529 . 1 1 59 59 ALA CA C 13 48.45 0.0 . . . . . A 59 ALA CA . 17674 1 530 . 1 1 59 59 ALA CB C 13 21.261 0.0 . . . . . A 59 ALA CB . 17674 1 531 . 1 1 59 59 ALA N N 15 126.947 0.0 . . . . . A 59 ALA N . 17674 1 532 . 1 1 60 60 MET H H 1 7.521 0.0 . . . . . A 60 MET H . 17674 1 533 . 1 1 60 60 MET HA H 1 5.527 0.0 . . . . . A 60 MET HA . 17674 1 534 . 1 1 60 60 MET HB2 H 1 2.192 0.0 . . . . . A 60 MET HB2 . 17674 1 535 . 1 1 60 60 MET HB3 H 1 2.385 0.0 . . . . . A 60 MET HB3 . 17674 1 536 . 1 1 60 60 MET HG2 H 1 2.785 0.0 . . . . . A 60 MET HG2 . 17674 1 537 . 1 1 60 60 MET HG3 H 1 2.2 0.0 . . . . . A 60 MET HG3 . 17674 1 538 . 1 1 60 60 MET C C 13 173.753 0.0 . . . . . A 60 MET C . 17674 1 539 . 1 1 60 60 MET CA C 13 52.251 0.0 . . . . . A 60 MET CA . 17674 1 540 . 1 1 60 60 MET CB C 13 35.046 0.0 . . . . . A 60 MET CB . 17674 1 541 . 1 1 60 60 MET N N 15 116.602 0.0 . . . . . A 60 MET N . 17674 1 542 . 1 1 61 61 ASP H H 1 9.159 0.0 . . . . . A 61 ASP H . 17674 1 543 . 1 1 61 61 ASP HA H 1 5.046 0.0 . . . . . A 61 ASP HA . 17674 1 544 . 1 1 61 61 ASP HB2 H 1 2.87 0.0 . . . . . A 61 ASP HB2 . 17674 1 545 . 1 1 61 61 ASP HB3 H 1 3.586 0.0 . . . . . A 61 ASP HB3 . 17674 1 546 . 1 1 61 61 ASP C C 13 175.8 0.0 . . . . . A 61 ASP C . 17674 1 547 . 1 1 61 61 ASP CA C 13 51.48 0.0 . . . . . A 61 ASP CA . 17674 1 548 . 1 1 61 61 ASP CB C 13 39.346 0.0 . . . . . A 61 ASP CB . 17674 1 549 . 1 1 61 61 ASP N N 15 128.445 0.0 . . . . . A 61 ASP N . 17674 1 550 . 1 1 62 62 THR H H 1 7.972 0.0 . . . . . A 62 THR H . 17674 1 551 . 1 1 62 62 THR HA H 1 4.134 0.0 . . . . . A 62 THR HA . 17674 1 552 . 1 1 62 62 THR HB H 1 4.503 0.0 . . . . . A 62 THR HB . 17674 1 553 . 1 1 62 62 THR HG21 H 1 1.662 0.0 . . . . . A 62 THR HG21 . 17674 1 554 . 1 1 62 62 THR HG22 H 1 1.662 0.0 . . . . . A 62 THR HG22 . 17674 1 555 . 1 1 62 62 THR HG23 H 1 1.662 0.0 . . . . . A 62 THR HG23 . 17674 1 556 . 1 1 62 62 THR C C 13 172.355 0.0 . . . . . A 62 THR C . 17674 1 557 . 1 1 62 62 THR CA C 13 62.626 0.0 . . . . . A 62 THR CA . 17674 1 558 . 1 1 62 62 THR CB C 13 66.955 0.0 . . . . . A 62 THR CB . 17674 1 559 . 1 1 62 62 THR N N 15 107.806 0.0 . . . . . A 62 THR N . 17674 1 560 . 1 1 63 63 ASP H H 1 8.333 0.0 . . . . . A 63 ASP H . 17674 1 561 . 1 1 63 63 ASP HA H 1 4.964 0.0 . . . . . A 63 ASP HA . 17674 1 562 . 1 1 63 63 ASP HB2 H 1 2.769 0.0 . . . . . A 63 ASP HB2 . 17674 1 563 . 1 1 63 63 ASP HB3 H 1 2.749 0.0 . . . . . A 63 ASP HB3 . 17674 1 564 . 1 1 63 63 ASP C C 13 174.438 0.0 . . . . . A 63 ASP C . 17674 1 565 . 1 1 63 63 ASP CA C 13 51.865 0.0 . . . . . A 63 ASP CA . 17674 1 566 . 1 1 63 63 ASP CB C 13 39.182 0.0 . . . . . A 63 ASP CB . 17674 1 567 . 1 1 63 63 ASP N N 15 119.831 0.0 . . . . . A 63 ASP N . 17674 1 568 . 1 1 64 64 GLY H H 1 8.264 0.0 . . . . . A 64 GLY H . 17674 1 569 . 1 1 64 64 GLY HA2 H 1 3.652 0.0 . . . . . A 64 GLY HA2 . 17674 1 570 . 1 1 64 64 GLY HA3 H 1 3.397 0.0 . . . . . A 64 GLY HA3 . 17674 1 571 . 1 1 64 64 GLY C C 13 171.248 0.0 . . . . . A 64 GLY C . 17674 1 572 . 1 1 64 64 GLY CA C 13 42.923 0.0 . . . . . A 64 GLY CA . 17674 1 573 . 1 1 64 64 GLY N N 15 109.142 0.0 . . . . . A 64 GLY N . 17674 1 574 . 1 1 65 65 LEU H H 1 8.636 0.0 . . . . . A 65 LEU H . 17674 1 575 . 1 1 65 65 LEU HA H 1 4.529 0.0 . . . . . A 65 LEU HA . 17674 1 576 . 1 1 65 65 LEU HB2 H 1 1.567 0.0 . . . . . A 65 LEU HB2 . 17674 1 577 . 1 1 65 65 LEU HB3 H 1 2.054 0.0 . . . . . A 65 LEU HB3 . 17674 1 578 . 1 1 65 65 LEU HG H 1 2.447 0.0 . . . . . A 65 LEU HG . 17674 1 579 . 1 1 65 65 LEU HD11 H 1 1.143 0.0 . . . . . A 65 LEU HD11 . 17674 1 580 . 1 1 65 65 LEU HD12 H 1 1.143 0.0 . . . . . A 65 LEU HD12 . 17674 1 581 . 1 1 65 65 LEU HD13 H 1 1.143 0.0 . . . . . A 65 LEU HD13 . 17674 1 582 . 1 1 65 65 LEU HD21 H 1 0.995 0.0 . . . . . A 65 LEU HD21 . 17674 1 583 . 1 1 65 65 LEU HD22 H 1 0.995 0.0 . . . . . A 65 LEU HD22 . 17674 1 584 . 1 1 65 65 LEU HD23 H 1 0.995 0.0 . . . . . A 65 LEU HD23 . 17674 1 585 . 1 1 65 65 LEU C C 13 174.507 0.0 . . . . . A 65 LEU C . 17674 1 586 . 1 1 65 65 LEU CA C 13 52.224 0.0 . . . . . A 65 LEU CA . 17674 1 587 . 1 1 65 65 LEU CB C 13 40.557 0.0 . . . . . A 65 LEU CB . 17674 1 588 . 1 1 65 65 LEU N N 15 123.137 0.0 . . . . . A 65 LEU N . 17674 1 589 . 1 1 66 66 LEU H H 1 7.431 0.0 . . . . . A 66 LEU H . 17674 1 590 . 1 1 66 66 LEU HA H 1 5.714 0.0 . . . . . A 66 LEU HA . 17674 1 591 . 1 1 66 66 LEU HB2 H 1 1.434 0.0 . . . . . A 66 LEU HB2 . 17674 1 592 . 1 1 66 66 LEU HB3 H 1 1.139 0.0 . . . . . A 66 LEU HB3 . 17674 1 593 . 1 1 66 66 LEU HG H 1 2.164 0.0 . . . . . A 66 LEU HG . 17674 1 594 . 1 1 66 66 LEU HD11 H 1 1.42 0.0 . . . . . A 66 LEU HD11 . 17674 1 595 . 1 1 66 66 LEU HD12 H 1 1.42 0.0 . . . . . A 66 LEU HD12 . 17674 1 596 . 1 1 66 66 LEU HD13 H 1 1.42 0.0 . . . . . A 66 LEU HD13 . 17674 1 597 . 1 1 66 66 LEU HD21 H 1 1.02 0.0 . . . . . A 66 LEU HD21 . 17674 1 598 . 1 1 66 66 LEU HD22 H 1 1.02 0.0 . . . . . A 66 LEU HD22 . 17674 1 599 . 1 1 66 66 LEU HD23 H 1 1.02 0.0 . . . . . A 66 LEU HD23 . 17674 1 600 . 1 1 66 66 LEU C C 13 174.07 0.0 . . . . . A 66 LEU C . 17674 1 601 . 1 1 66 66 LEU CA C 13 51.635 0.0 . . . . . A 66 LEU CA . 17674 1 602 . 1 1 66 66 LEU CB C 13 40.474 0.0 . . . . . A 66 LEU CB . 17674 1 603 . 1 1 66 66 LEU N N 15 124.493 0.0 . . . . . A 66 LEU N . 17674 1 604 . 1 1 67 67 TYR H H 1 9.237 0.0 . . . . . A 67 TYR H . 17674 1 605 . 1 1 67 67 TYR HA H 1 5.023 0.0 . . . . . A 67 TYR HA . 17674 1 606 . 1 1 67 67 TYR HB2 H 1 3.111 0.0 . . . . . A 67 TYR HB2 . 17674 1 607 . 1 1 67 67 TYR C C 13 169.64 0.0 . . . . . A 67 TYR C . 17674 1 608 . 1 1 67 67 TYR CA C 13 54.076 0.0 . . . . . A 67 TYR CA . 17674 1 609 . 1 1 67 67 TYR CB C 13 38.903 0.0 . . . . . A 67 TYR CB . 17674 1 610 . 1 1 67 67 TYR N N 15 120.36 0.0 . . . . . A 67 TYR N . 17674 1 611 . 1 1 68 68 GLY H H 1 8.928 0.0 . . . . . A 68 GLY H . 17674 1 612 . 1 1 68 68 GLY HA2 H 1 4.676 0.0 . . . . . A 68 GLY HA2 . 17674 1 613 . 1 1 68 68 GLY C C 13 170.551 0.0 . . . . . A 68 GLY C . 17674 1 614 . 1 1 68 68 GLY CA C 13 41.569 0.0 . . . . . A 68 GLY CA . 17674 1 615 . 1 1 68 68 GLY N N 15 105.646 0.0 . . . . . A 68 GLY N . 17674 1 616 . 1 1 69 69 SER H H 1 9.608 0.0 . . . . . A 69 SER H . 17674 1 617 . 1 1 69 69 SER HA H 1 4.966 0.0 . . . . . A 69 SER HA . 17674 1 618 . 1 1 69 69 SER HB2 H 1 3.552 0.0 . . . . . A 69 SER HB2 . 17674 1 619 . 1 1 69 69 SER HB3 H 1 3.915 0.0 . . . . . A 69 SER HB3 . 17674 1 620 . 1 1 69 69 SER C C 13 174.219 0.0 . . . . . A 69 SER C . 17674 1 621 . 1 1 69 69 SER CA C 13 53.737 0.0 . . . . . A 69 SER CA . 17674 1 622 . 1 1 69 69 SER CB C 13 63.042 0.0 . . . . . A 69 SER CB . 17674 1 623 . 1 1 69 69 SER N N 15 120.1 0.0 . . . . . A 69 SER N . 17674 1 624 . 1 1 70 70 GLN H H 1 9.343 0.0 . . . . . A 70 GLN H . 17674 1 625 . 1 1 70 70 GLN HA H 1 4.286 0.0 . . . . . A 70 GLN HA . 17674 1 626 . 1 1 70 70 GLN HB2 H 1 2.216 0.0 . . . . . A 70 GLN HB2 . 17674 1 627 . 1 1 70 70 GLN HB3 H 1 2.331 0.0 . . . . . A 70 GLN HB3 . 17674 1 628 . 1 1 70 70 GLN HG2 H 1 2.539 0.0 . . . . . A 70 GLN HG2 . 17674 1 629 . 1 1 70 70 GLN HG3 H 1 2.667 0.0 . . . . . A 70 GLN HG3 . 17674 1 630 . 1 1 70 70 GLN HE21 H 1 7.36 0.0 . . . . . A 70 GLN HE21 . 17674 1 631 . 1 1 70 70 GLN HE22 H 1 6.86 0.0 . . . . . A 70 GLN HE22 . 17674 1 632 . 1 1 70 70 GLN C C 13 173.241 0.0 . . . . . A 70 GLN C . 17674 1 633 . 1 1 70 70 GLN CA C 13 56.139 0.0 . . . . . A 70 GLN CA . 17674 1 634 . 1 1 70 70 GLN CB C 13 27.092 0.0 . . . . . A 70 GLN CB . 17674 1 635 . 1 1 70 70 GLN N N 15 127.339 0.0 . . . . . A 70 GLN N . 17674 1 636 . 1 1 70 70 GLN NE2 N 15 112.2 0.0 . . . . . A 70 GLN NE2 . 17674 1 637 . 1 1 71 71 THR H H 1 7.532 0.0 . . . . . A 71 THR H . 17674 1 638 . 1 1 71 71 THR HA H 1 4.78 0.0 . . . . . A 71 THR HA . 17674 1 639 . 1 1 71 71 THR HB H 1 4.15 0.0 . . . . . A 71 THR HB . 17674 1 640 . 1 1 71 71 THR CA C 13 55.203 0.0 . . . . . A 71 THR CA . 17674 1 641 . 1 1 71 71 THR N N 15 108.1 0.0 . . . . . A 71 THR N . 17674 1 642 . 1 1 72 72 PRO HA H 1 4.173 0.0 . . . . . A 72 PRO HA . 17674 1 643 . 1 1 72 72 PRO HB2 H 1 2.325 0.0 . . . . . A 72 PRO HB2 . 17674 1 644 . 1 1 72 72 PRO HB3 H 1 1.31 0.0 . . . . . A 72 PRO HB3 . 17674 1 645 . 1 1 72 72 PRO C C 13 172.92 0.0 . . . . . A 72 PRO C . 17674 1 646 . 1 1 72 72 PRO CA C 13 60.05 0.0 . . . . . A 72 PRO CA . 17674 1 647 . 1 1 72 72 PRO CB C 13 29.254 0.0 . . . . . A 72 PRO CB . 17674 1 648 . 1 1 73 73 ASN H H 1 7.321 0.0 . . . . . A 73 ASN H . 17674 1 649 . 1 1 73 73 ASN CA C 13 49.994 0.0 . . . . . A 73 ASN CA . 17674 1 650 . 1 1 73 73 ASN N N 15 119.2 0.0 . . . . . A 73 ASN N . 17674 1 651 . 1 1 74 74 GLU H H 1 9.03 0.0 . . . . . A 74 GLU H . 17674 1 652 . 1 1 74 74 GLU HA H 1 4.13 0.0 . . . . . A 74 GLU HA . 17674 1 653 . 1 1 74 74 GLU HB2 H 1 2.12 0.0 . . . . . A 74 GLU HB2 . 17674 1 654 . 1 1 74 74 GLU HB3 H 1 2.117 0.0 . . . . . A 74 GLU HB3 . 17674 1 655 . 1 1 74 74 GLU HG2 H 1 2.529 0.0 . . . . . A 74 GLU HG2 . 17674 1 656 . 1 1 74 74 GLU HG3 H 1 2.529 0.0 . . . . . A 74 GLU HG3 . 17674 1 657 . 1 1 74 74 GLU C C 13 176.352 0.0 . . . . . A 74 GLU C . 17674 1 658 . 1 1 74 74 GLU CA C 13 57.131 0.0 . . . . . A 74 GLU CA . 17674 1 659 . 1 1 74 74 GLU CB C 13 27.005 0.0 . . . . . A 74 GLU CB . 17674 1 660 . 1 1 75 75 GLU H H 1 8.574 0.0 . . . . . A 75 GLU H . 17674 1 661 . 1 1 75 75 GLU HA H 1 4.206 0.0 . . . . . A 75 GLU HA . 17674 1 662 . 1 1 75 75 GLU HB2 H 1 2.468 0.0 . . . . . A 75 GLU HB2 . 17674 1 663 . 1 1 75 75 GLU HB3 H 1 2.631 0.0 . . . . . A 75 GLU HB3 . 17674 1 664 . 1 1 75 75 GLU HG2 H 1 2.434 0.0 . . . . . A 75 GLU HG2 . 17674 1 665 . 1 1 75 75 GLU HG3 H 1 2.621 0.0 . . . . . A 75 GLU HG3 . 17674 1 666 . 1 1 75 75 GLU C C 13 173.866 0.0 . . . . . A 75 GLU C . 17674 1 667 . 1 1 75 75 GLU CA C 13 56.343 0.0 . . . . . A 75 GLU CA . 17674 1 668 . 1 1 75 75 GLU CB C 13 26.028 0.0 . . . . . A 75 GLU CB . 17674 1 669 . 1 1 75 75 GLU N N 15 119.2 0.0 . . . . . A 75 GLU N . 17674 1 670 . 1 1 76 76 CYS H H 1 7.727 0.0 . . . . . A 76 CYS H . 17674 1 671 . 1 1 76 76 CYS HA H 1 5.426 0.0 . . . . . A 76 CYS HA . 17674 1 672 . 1 1 76 76 CYS HB2 H 1 3.315 0.0 . . . . . A 76 CYS HB2 . 17674 1 673 . 1 1 76 76 CYS HB3 H 1 3.71 0.0 . . . . . A 76 CYS HB3 . 17674 1 674 . 1 1 76 76 CYS C C 13 170.849 0.0 . . . . . A 76 CYS C . 17674 1 675 . 1 1 76 76 CYS CA C 13 55.635 0.0 . . . . . A 76 CYS CA . 17674 1 676 . 1 1 76 76 CYS CB C 13 26.036 0.0 . . . . . A 76 CYS CB . 17674 1 677 . 1 1 76 76 CYS N N 15 113.8 0.0 . . . . . A 76 CYS N . 17674 1 678 . 1 1 77 77 LEU H H 1 6.241 0.0 . . . . . A 77 LEU H . 17674 1 679 . 1 1 77 77 LEU HA H 1 4.555 0.0 . . . . . A 77 LEU HA . 17674 1 680 . 1 1 77 77 LEU HB2 H 1 1.163 0.0 . . . . . A 77 LEU HB2 . 17674 1 681 . 1 1 77 77 LEU HB3 H 1 1.423 0.0 . . . . . A 77 LEU HB3 . 17674 1 682 . 1 1 77 77 LEU HG H 1 1.27 0.0 . . . . . A 77 LEU HG . 17674 1 683 . 1 1 77 77 LEU HD11 H 1 0.65 0.0 . . . . . A 77 LEU HD11 . 17674 1 684 . 1 1 77 77 LEU HD12 H 1 0.65 0.0 . . . . . A 77 LEU HD12 . 17674 1 685 . 1 1 77 77 LEU HD13 H 1 0.65 0.0 . . . . . A 77 LEU HD13 . 17674 1 686 . 1 1 77 77 LEU HD21 H 1 0.38 0.0 . . . . . A 77 LEU HD21 . 17674 1 687 . 1 1 77 77 LEU HD22 H 1 0.38 0.0 . . . . . A 77 LEU HD22 . 17674 1 688 . 1 1 77 77 LEU HD23 H 1 0.38 0.0 . . . . . A 77 LEU HD23 . 17674 1 689 . 1 1 77 77 LEU C C 13 173.882 0.0 . . . . . A 77 LEU C . 17674 1 690 . 1 1 77 77 LEU CA C 13 51.793 0.0 . . . . . A 77 LEU CA . 17674 1 691 . 1 1 77 77 LEU CB C 13 42.123 0.0 . . . . . A 77 LEU CB . 17674 1 692 . 1 1 77 77 LEU N N 15 118.069 0.0 . . . . . A 77 LEU N . 17674 1 693 . 1 1 78 78 PHE H H 1 9.067 0.0 . . . . . A 78 PHE H . 17674 1 694 . 1 1 78 78 PHE HA H 1 5.169 0.0 . . . . . A 78 PHE HA . 17674 1 695 . 1 1 78 78 PHE HB2 H 1 2.804 0.0 . . . . . A 78 PHE HB2 . 17674 1 696 . 1 1 78 78 PHE HB3 H 1 2.936 0.0 . . . . . A 78 PHE HB3 . 17674 1 697 . 1 1 78 78 PHE C C 13 171.853 0.0 . . . . . A 78 PHE C . 17674 1 698 . 1 1 78 78 PHE CA C 13 54.917 0.0 . . . . . A 78 PHE CA . 17674 1 699 . 1 1 78 78 PHE CB C 13 40.597 0.0 . . . . . A 78 PHE CB . 17674 1 700 . 1 1 78 78 PHE N N 15 122.377 0.0 . . . . . A 78 PHE N . 17674 1 701 . 1 1 79 79 LEU H H 1 9.958 0.0 . . . . . A 79 LEU H . 17674 1 702 . 1 1 79 79 LEU HA H 1 4.686 0.0 . . . . . A 79 LEU HA . 17674 1 703 . 1 1 79 79 LEU HB2 H 1 1.9 0.0 . . . . . A 79 LEU HB2 . 17674 1 704 . 1 1 79 79 LEU HG H 1 1.573 0.0 . . . . . A 79 LEU HG . 17674 1 705 . 1 1 79 79 LEU HD11 H 1 0.935 0.0 . . . . . A 79 LEU HD11 . 17674 1 706 . 1 1 79 79 LEU HD12 H 1 0.935 0.0 . . . . . A 79 LEU HD12 . 17674 1 707 . 1 1 79 79 LEU HD13 H 1 0.935 0.0 . . . . . A 79 LEU HD13 . 17674 1 708 . 1 1 79 79 LEU C C 13 173.055 0.0 . . . . . A 79 LEU C . 17674 1 709 . 1 1 79 79 LEU CA C 13 51.232 0.0 . . . . . A 79 LEU CA . 17674 1 710 . 1 1 79 79 LEU CB C 13 38.511 0.0 . . . . . A 79 LEU CB . 17674 1 711 . 1 1 79 79 LEU N N 15 122.126 0.0 . . . . . A 79 LEU N . 17674 1 712 . 1 1 80 80 GLU H H 1 8.347 0.0 . . . . . A 80 GLU H . 17674 1 713 . 1 1 80 80 GLU HA H 1 4.832 0.0 . . . . . A 80 GLU HA . 17674 1 714 . 1 1 80 80 GLU HB2 H 1 1.926 0.0 . . . . . A 80 GLU HB2 . 17674 1 715 . 1 1 80 80 GLU HB3 H 1 2.079 0.0 . . . . . A 80 GLU HB3 . 17674 1 716 . 1 1 80 80 GLU C C 13 173.355 0.0 . . . . . A 80 GLU C . 17674 1 717 . 1 1 80 80 GLU CA C 13 52.558 0.0 . . . . . A 80 GLU CA . 17674 1 718 . 1 1 80 80 GLU CB C 13 30.892 0.0 . . . . . A 80 GLU CB . 17674 1 719 . 1 1 80 80 GLU N N 15 126.3 0.0 . . . . . A 80 GLU N . 17674 1 720 . 1 1 81 81 ARG H H 1 8.84 0.0 . . . . . A 81 ARG H . 17674 1 721 . 1 1 81 81 ARG HA H 1 4.659 0.0 . . . . . A 81 ARG HA . 17674 1 722 . 1 1 81 81 ARG HB2 H 1 1.83 0.0 . . . . . A 81 ARG HB2 . 17674 1 723 . 1 1 81 81 ARG HB3 H 1 1.84 0.0 . . . . . A 81 ARG HB3 . 17674 1 724 . 1 1 81 81 ARG HG2 H 1 1.567 0.0 . . . . . A 81 ARG HG2 . 17674 1 725 . 1 1 81 81 ARG HG3 H 1 1.482 0.0 . . . . . A 81 ARG HG3 . 17674 1 726 . 1 1 81 81 ARG HD2 H 1 3.19 0.0 . . . . . A 81 ARG HD2 . 17674 1 727 . 1 1 81 81 ARG C C 13 172.258 0.0 . . . . . A 81 ARG C . 17674 1 728 . 1 1 81 81 ARG CA C 13 52.288 0.0 . . . . . A 81 ARG CA . 17674 1 729 . 1 1 81 81 ARG CB C 13 36.453 0.0 . . . . . A 81 ARG CB . 17674 1 730 . 1 1 81 81 ARG N N 15 129.522 0.0 . . . . . A 81 ARG N . 17674 1 731 . 1 1 82 82 LEU H H 1 8.347 0.0 . . . . . A 82 LEU H . 17674 1 732 . 1 1 82 82 LEU HA H 1 4.875 0.0 . . . . . A 82 LEU HA . 17674 1 733 . 1 1 82 82 LEU HB2 H 1 1.505 0.0 . . . . . A 82 LEU HB2 . 17674 1 734 . 1 1 82 82 LEU HB3 H 1 1.746 0.0 . . . . . A 82 LEU HB3 . 17674 1 735 . 1 1 82 82 LEU HG H 1 1.706 0.0 . . . . . A 82 LEU HG . 17674 1 736 . 1 1 82 82 LEU HD11 H 1 0.848 0.0 . . . . . A 82 LEU HD11 . 17674 1 737 . 1 1 82 82 LEU HD12 H 1 0.848 0.0 . . . . . A 82 LEU HD12 . 17674 1 738 . 1 1 82 82 LEU HD13 H 1 0.848 0.0 . . . . . A 82 LEU HD13 . 17674 1 739 . 1 1 82 82 LEU C C 13 174.567 0.0 . . . . . A 82 LEU C . 17674 1 740 . 1 1 82 82 LEU CA C 13 52.631 0.0 . . . . . A 82 LEU CA . 17674 1 741 . 1 1 82 82 LEU CB C 13 40.304 0.0 . . . . . A 82 LEU CB . 17674 1 742 . 1 1 82 82 LEU N N 15 125.7 0.0 . . . . . A 82 LEU N . 17674 1 743 . 1 1 83 83 GLU H H 1 7.204 0.0 . . . . . A 83 GLU H . 17674 1 744 . 1 1 83 83 GLU HA H 1 4.974 0.0 . . . . . A 83 GLU HA . 17674 1 745 . 1 1 83 83 GLU HG2 H 1 2.208 0.0 . . . . . A 83 GLU HG2 . 17674 1 746 . 1 1 83 83 GLU HG3 H 1 2.208 0.0 . . . . . A 83 GLU HG3 . 17674 1 747 . 1 1 83 83 GLU C C 13 174.885 0.0 . . . . . A 83 GLU C . 17674 1 748 . 1 1 83 83 GLU CA C 13 51.723 0.0 . . . . . A 83 GLU CA . 17674 1 749 . 1 1 83 83 GLU CB C 13 33.703 0.0 . . . . . A 83 GLU CB . 17674 1 750 . 1 1 83 83 GLU N N 15 116.1 0.0 . . . . . A 83 GLU N . 17674 1 751 . 1 1 84 84 GLU H H 1 8.626 0.0 . . . . . A 84 GLU H . 17674 1 752 . 1 1 84 84 GLU HA H 1 4.112 0.0 . . . . . A 84 GLU HA . 17674 1 753 . 1 1 84 84 GLU HB2 H 1 2.165 0.0 . . . . . A 84 GLU HB2 . 17674 1 754 . 1 1 84 84 GLU HG2 H 1 2.355 0.0 . . . . . A 84 GLU HG2 . 17674 1 755 . 1 1 84 84 GLU HG3 H 1 2.355 0.0 . . . . . A 84 GLU HG3 . 17674 1 756 . 1 1 84 84 GLU C C 13 174.261 0.0 . . . . . A 84 GLU C . 17674 1 757 . 1 1 84 84 GLU CA C 13 55.553 0.0 . . . . . A 84 GLU CA . 17674 1 758 . 1 1 84 84 GLU CB C 13 27.117 0.0 . . . . . A 84 GLU CB . 17674 1 759 . 1 1 84 84 GLU N N 15 120.3 0.0 . . . . . A 84 GLU N . 17674 1 760 . 1 1 85 85 ASN H H 1 8.429 0.0 . . . . . A 85 ASN H . 17674 1 761 . 1 1 85 85 ASN HA H 1 4.343 0.0 . . . . . A 85 ASN HA . 17674 1 762 . 1 1 85 85 ASN HB2 H 1 2.998 0.0 . . . . . A 85 ASN HB2 . 17674 1 763 . 1 1 85 85 ASN HB3 H 1 3.092 0.0 . . . . . A 85 ASN HB3 . 17674 1 764 . 1 1 85 85 ASN C C 13 172.203 0.0 . . . . . A 85 ASN C . 17674 1 765 . 1 1 85 85 ASN CA C 13 51.788 0.0 . . . . . A 85 ASN CA . 17674 1 766 . 1 1 85 85 ASN CB C 13 35.301 0.0 . . . . . A 85 ASN CB . 17674 1 767 . 1 1 85 85 ASN N N 15 114.8 0.0 . . . . . A 85 ASN N . 17674 1 768 . 1 1 86 86 HIS H H 1 8.081 0.0 . . . . . A 86 HIS H . 17674 1 769 . 1 1 86 86 HIS HA H 1 4.26 0.0 . . . . . A 86 HIS HA . 17674 1 770 . 1 1 86 86 HIS HB2 H 1 3.284 0.0 . . . . . A 86 HIS HB2 . 17674 1 771 . 1 1 86 86 HIS HB3 H 1 3.442 0.0 . . . . . A 86 HIS HB3 . 17674 1 772 . 1 1 86 86 HIS C C 13 171.039 0.0 . . . . . A 86 HIS C . 17674 1 773 . 1 1 86 86 HIS CA C 13 55.255 0.0 . . . . . A 86 HIS CA . 17674 1 774 . 1 1 86 86 HIS CB C 13 24.858 0.0 . . . . . A 86 HIS CB . 17674 1 775 . 1 1 86 86 HIS N N 15 108.737 0.0 . . . . . A 86 HIS N . 17674 1 776 . 1 1 87 87 TYR H H 1 7.632 0.0 . . . . . A 87 TYR H . 17674 1 777 . 1 1 87 87 TYR HA H 1 4.836 0.0 . . . . . A 87 TYR HA . 17674 1 778 . 1 1 87 87 TYR HB2 H 1 2.959 0.0 . . . . . A 87 TYR HB2 . 17674 1 779 . 1 1 87 87 TYR C C 13 171.983 0.0 . . . . . A 87 TYR C . 17674 1 780 . 1 1 87 87 TYR CA C 13 56.163 0.0 . . . . . A 87 TYR CA . 17674 1 781 . 1 1 87 87 TYR CB C 13 38.643 0.0 . . . . . A 87 TYR CB . 17674 1 782 . 1 1 87 87 TYR N N 15 117.738 0.0 . . . . . A 87 TYR N . 17674 1 783 . 1 1 88 88 ASN H H 1 9.84 0.0 . . . . . A 88 ASN H . 17674 1 784 . 1 1 88 88 ASN HA H 1 5.837 0.0 . . . . . A 88 ASN HA . 17674 1 785 . 1 1 88 88 ASN HB2 H 1 2.486 0.0 . . . . . A 88 ASN HB2 . 17674 1 786 . 1 1 88 88 ASN HB3 H 1 2.658 0.0 . . . . . A 88 ASN HB3 . 17674 1 787 . 1 1 88 88 ASN HD21 H 1 6.72 0.0 . . . . . A 88 ASN HD21 . 17674 1 788 . 1 1 88 88 ASN HD22 H 1 6.5 0.0 . . . . . A 88 ASN HD22 . 17674 1 789 . 1 1 88 88 ASN C C 13 172.471 0.0 . . . . . A 88 ASN C . 17674 1 790 . 1 1 88 88 ASN CA C 13 50.063 0.0 . . . . . A 88 ASN CA . 17674 1 791 . 1 1 88 88 ASN CB C 13 40.242 0.0 . . . . . A 88 ASN CB . 17674 1 792 . 1 1 88 88 ASN N N 15 118.891 0.0 . . . . . A 88 ASN N . 17674 1 793 . 1 1 88 88 ASN ND2 N 15 106.93 0.0 . . . . . A 88 ASN ND2 . 17674 1 794 . 1 1 89 89 THR H H 1 8.38 0.0 . . . . . A 89 THR H . 17674 1 795 . 1 1 89 89 THR HA H 1 5.127 0.0 . . . . . A 89 THR HA . 17674 1 796 . 1 1 89 89 THR HB H 1 4.58 0.0 . . . . . A 89 THR HB . 17674 1 797 . 1 1 89 89 THR HG21 H 1 1.319 0.0 . . . . . A 89 THR HG21 . 17674 1 798 . 1 1 89 89 THR HG22 H 1 1.319 0.0 . . . . . A 89 THR HG22 . 17674 1 799 . 1 1 89 89 THR HG23 H 1 1.319 0.0 . . . . . A 89 THR HG23 . 17674 1 800 . 1 1 89 89 THR C C 13 170.548 0.0 . . . . . A 89 THR C . 17674 1 801 . 1 1 89 89 THR CA C 13 57.357 0.0 . . . . . A 89 THR CA . 17674 1 802 . 1 1 89 89 THR CB C 13 70.868 0.0 . . . . . A 89 THR CB . 17674 1 803 . 1 1 89 89 THR N N 15 108.521 0.0 . . . . . A 89 THR N . 17674 1 804 . 1 1 90 90 TYR H H 1 10.247 0.0 . . . . . A 90 TYR H . 17674 1 805 . 1 1 90 90 TYR HA H 1 5.472 0.0 . . . . . A 90 TYR HA . 17674 1 806 . 1 1 90 90 TYR HB2 H 1 2.471 0.0 . . . . . A 90 TYR HB2 . 17674 1 807 . 1 1 90 90 TYR C C 13 172.442 0.0 . . . . . A 90 TYR C . 17674 1 808 . 1 1 90 90 TYR CA C 13 55.106 0.0 . . . . . A 90 TYR CA . 17674 1 809 . 1 1 90 90 TYR CB C 13 39.047 0.0 . . . . . A 90 TYR CB . 17674 1 810 . 1 1 90 90 TYR N N 15 119.0 0.0 . . . . . A 90 TYR N . 17674 1 811 . 1 1 91 91 ILE H H 1 8.781 0.0 . . . . . A 91 ILE H . 17674 1 812 . 1 1 91 91 ILE HA H 1 4.673 0.0 . . . . . A 91 ILE HA . 17674 1 813 . 1 1 91 91 ILE HG12 H 1 1.288 0.0 . . . . . A 91 ILE HG12 . 17674 1 814 . 1 1 91 91 ILE HG21 H 1 0.631 0.0 . . . . . A 91 ILE HG21 . 17674 1 815 . 1 1 91 91 ILE HG22 H 1 0.631 0.0 . . . . . A 91 ILE HG22 . 17674 1 816 . 1 1 91 91 ILE HG23 H 1 0.631 0.0 . . . . . A 91 ILE HG23 . 17674 1 817 . 1 1 91 91 ILE HD11 H 1 0.562 0.0 . . . . . A 91 ILE HD11 . 17674 1 818 . 1 1 91 91 ILE HD12 H 1 0.562 0.0 . . . . . A 91 ILE HD12 . 17674 1 819 . 1 1 91 91 ILE HD13 H 1 0.562 0.0 . . . . . A 91 ILE HD13 . 17674 1 820 . 1 1 91 91 ILE C C 13 172.924 0.0 . . . . . A 91 ILE C . 17674 1 821 . 1 1 91 91 ILE CA C 13 56.346 0.0 . . . . . A 91 ILE CA . 17674 1 822 . 1 1 91 91 ILE CB C 13 36.627 0.0 . . . . . A 91 ILE CB . 17674 1 823 . 1 1 91 91 ILE N N 15 122.546 0.0 . . . . . A 91 ILE N . 17674 1 824 . 1 1 92 92 SER H H 1 8.191 0.0 . . . . . A 92 SER H . 17674 1 825 . 1 1 92 92 SER HA H 1 4.016 0.0 . . . . . A 92 SER HA . 17674 1 826 . 1 1 92 92 SER HB2 H 1 3.816 0.0 . . . . . A 92 SER HB2 . 17674 1 827 . 1 1 92 92 SER C C 13 172.863 0.0 . . . . . A 92 SER C . 17674 1 828 . 1 1 92 92 SER CA C 13 55.781 0.0 . . . . . A 92 SER CA . 17674 1 829 . 1 1 92 92 SER CB C 13 62.382 0.0 . . . . . A 92 SER CB . 17674 1 830 . 1 1 92 92 SER N N 15 120.2 0.0 . . . . . A 92 SER N . 17674 1 831 . 1 1 93 93 LYS H H 1 7.993 0.0 . . . . . A 93 LYS H . 17674 1 832 . 1 1 93 93 LYS HA H 1 3.779 0.0 . . . . . A 93 LYS HA . 17674 1 833 . 1 1 93 93 LYS HB2 H 1 1.19 0.0 . . . . . A 93 LYS HB2 . 17674 1 834 . 1 1 93 93 LYS HB3 H 1 1.766 0.0 . . . . . A 93 LYS HB3 . 17674 1 835 . 1 1 93 93 LYS HG2 H 1 1.203 0.0 . . . . . A 93 LYS HG2 . 17674 1 836 . 1 1 93 93 LYS HE2 H 1 2.912 0.0 . . . . . A 93 LYS HE2 . 17674 1 837 . 1 1 93 93 LYS HE3 H 1 2.657 0.0 . . . . . A 93 LYS HE3 . 17674 1 838 . 1 1 93 93 LYS C C 13 176.938 0.0 . . . . . A 93 LYS C . 17674 1 839 . 1 1 93 93 LYS CA C 13 57.942 0.0 . . . . . A 93 LYS CA . 17674 1 840 . 1 1 93 93 LYS CB C 13 30.889 0.0 . . . . . A 93 LYS CB . 17674 1 841 . 1 1 93 93 LYS N N 15 130.618 0.0 . . . . . A 93 LYS N . 17674 1 842 . 1 1 94 94 LYS H H 1 8.616 0.0 . . . . . A 94 LYS H . 17674 1 843 . 1 1 94 94 LYS HA H 1 3.851 0.0 . . . . . A 94 LYS HA . 17674 1 844 . 1 1 94 94 LYS HB2 H 1 1.342 0.0 . . . . . A 94 LYS HB2 . 17674 1 845 . 1 1 94 94 LYS HB3 H 1 1.475 0.0 . . . . . A 94 LYS HB3 . 17674 1 846 . 1 1 94 94 LYS HG2 H 1 0.948 0.0 . . . . . A 94 LYS HG2 . 17674 1 847 . 1 1 94 94 LYS HG3 H 1 0.593 0.0 . . . . . A 94 LYS HG3 . 17674 1 848 . 1 1 94 94 LYS HD2 H 1 1.435 0.0 . . . . . A 94 LYS HD2 . 17674 1 849 . 1 1 94 94 LYS HE2 H 1 2.919 0.0 . . . . . A 94 LYS HE2 . 17674 1 850 . 1 1 94 94 LYS C C 13 174.491 0.0 . . . . . A 94 LYS C . 17674 1 851 . 1 1 94 94 LYS CA C 13 55.868 0.0 . . . . . A 94 LYS CA . 17674 1 852 . 1 1 94 94 LYS CB C 13 30.329 0.0 . . . . . A 94 LYS CB . 17674 1 853 . 1 1 94 94 LYS N N 15 120.044 0.0 . . . . . A 94 LYS N . 17674 1 854 . 1 1 95 95 HIS H H 1 7.249 0.0 . . . . . A 95 HIS H . 17674 1 855 . 1 1 95 95 HIS HA H 1 4.604 0.0 . . . . . A 95 HIS HA . 17674 1 856 . 1 1 95 95 HIS HB2 H 1 2.47 0.0 . . . . . A 95 HIS HB2 . 17674 1 857 . 1 1 95 95 HIS HB3 H 1 2.524 0.0 . . . . . A 95 HIS HB3 . 17674 1 858 . 1 1 95 95 HIS C C 13 173.734 0.0 . . . . . A 95 HIS C . 17674 1 859 . 1 1 95 95 HIS CA C 13 51.18 0.0 . . . . . A 95 HIS CA . 17674 1 860 . 1 1 95 95 HIS CB C 13 26.844 0.0 . . . . . A 95 HIS CB . 17674 1 861 . 1 1 95 95 HIS N N 15 114.486 0.0 . . . . . A 95 HIS N . 17674 1 862 . 1 1 96 96 ALA H H 1 7.104 0.0 . . . . . A 96 ALA H . 17674 1 863 . 1 1 96 96 ALA HA H 1 4.131 0.0 . . . . . A 96 ALA HA . 17674 1 864 . 1 1 96 96 ALA HB1 H 1 2.116 0.0 . . . . . A 96 ALA HB1 . 17674 1 865 . 1 1 96 96 ALA HB2 H 1 2.116 0.0 . . . . . A 96 ALA HB2 . 17674 1 866 . 1 1 96 96 ALA HB3 H 1 2.116 0.0 . . . . . A 96 ALA HB3 . 17674 1 867 . 1 1 96 96 ALA C C 13 178.508 0.0 . . . . . A 96 ALA C . 17674 1 868 . 1 1 96 96 ALA CA C 13 53.758 0.0 . . . . . A 96 ALA CA . 17674 1 869 . 1 1 96 96 ALA CB C 13 16.578 0.0 . . . . . A 96 ALA CB . 17674 1 870 . 1 1 96 96 ALA N N 15 125.204 0.0 . . . . . A 96 ALA N . 17674 1 871 . 1 1 97 97 GLU H H 1 8.857 0.0 . . . . . A 97 GLU H . 17674 1 872 . 1 1 97 97 GLU HA H 1 4.063 0.0 . . . . . A 97 GLU HA . 17674 1 873 . 1 1 97 97 GLU HB2 H 1 1.965 0.0 . . . . . A 97 GLU HB2 . 17674 1 874 . 1 1 97 97 GLU HG2 H 1 2.278 0.0 . . . . . A 97 GLU HG2 . 17674 1 875 . 1 1 97 97 GLU HG3 H 1 2.154 0.0 . . . . . A 97 GLU HG3 . 17674 1 876 . 1 1 97 97 GLU C C 13 174.813 0.0 . . . . . A 97 GLU C . 17674 1 877 . 1 1 97 97 GLU CA C 13 56.153 0.0 . . . . . A 97 GLU CA . 17674 1 878 . 1 1 97 97 GLU CB C 13 26.241 0.0 . . . . . A 97 GLU CB . 17674 1 879 . 1 1 97 97 GLU N N 15 118.007 0.0 . . . . . A 97 GLU N . 17674 1 880 . 1 1 98 98 LYS H H 1 7.196 0.0 . . . . . A 98 LYS H . 17674 1 881 . 1 1 98 98 LYS HA H 1 4.28 0.0 . . . . . A 98 LYS HA . 17674 1 882 . 1 1 98 98 LYS HB2 H 1 1.934 0.0 . . . . . A 98 LYS HB2 . 17674 1 883 . 1 1 98 98 LYS HB3 H 1 1.735 0.0 . . . . . A 98 LYS HB3 . 17674 1 884 . 1 1 98 98 LYS HG2 H 1 0.756 0.0 . . . . . A 98 LYS HG2 . 17674 1 885 . 1 1 98 98 LYS HD2 H 1 1.459 0.0 . . . . . A 98 LYS HD2 . 17674 1 886 . 1 1 98 98 LYS HE2 H 1 2.278 0.0 . . . . . A 98 LYS HE2 . 17674 1 887 . 1 1 98 98 LYS C C 13 173.361 0.0 . . . . . A 98 LYS C . 17674 1 888 . 1 1 98 98 LYS CA C 13 52.852 0.0 . . . . . A 98 LYS CA . 17674 1 889 . 1 1 98 98 LYS CB C 13 29.959 0.0 . . . . . A 98 LYS CB . 17674 1 890 . 1 1 98 98 LYS N N 15 116.241 0.0 . . . . . A 98 LYS N . 17674 1 891 . 1 1 99 99 ASN H H 1 7.842 0.0 . . . . . A 99 ASN H . 17674 1 892 . 1 1 99 99 ASN HA H 1 4.562 0.0 . . . . . A 99 ASN HA . 17674 1 893 . 1 1 99 99 ASN HB2 H 1 2.816 0.0 . . . . . A 99 ASN HB2 . 17674 1 894 . 1 1 99 99 ASN HB3 H 1 2.973 0.0 . . . . . A 99 ASN HB3 . 17674 1 895 . 1 1 99 99 ASN HD21 H 1 7.4 0.0 . . . . . A 99 ASN HD21 . 17674 1 896 . 1 1 99 99 ASN HD22 H 1 6.47 0.0 . . . . . A 99 ASN HD22 . 17674 1 897 . 1 1 99 99 ASN C C 13 170.506 0.0 . . . . . A 99 ASN C . 17674 1 898 . 1 1 99 99 ASN CA C 13 52.24 0.0 . . . . . A 99 ASN CA . 17674 1 899 . 1 1 99 99 ASN CB C 13 35.289 0.0 . . . . . A 99 ASN CB . 17674 1 900 . 1 1 99 99 ASN N N 15 113.0 0.0 . . . . . A 99 ASN N . 17674 1 901 . 1 1 99 99 ASN ND2 N 15 112.85 0.0 . . . . . A 99 ASN ND2 . 17674 1 902 . 1 1 100 100 TRP H H 1 6.369 0.0 . . . . . A 100 TRP H . 17674 1 903 . 1 1 100 100 TRP HA H 1 4.816 0.0 . . . . . A 100 TRP HA . 17674 1 904 . 1 1 100 100 TRP HB2 H 1 2.92 0.0 . . . . . A 100 TRP HB2 . 17674 1 905 . 1 1 100 100 TRP HB3 H 1 3.141 0.0 . . . . . A 100 TRP HB3 . 17674 1 906 . 1 1 100 100 TRP C C 13 171.701 0.0 . . . . . A 100 TRP C . 17674 1 907 . 1 1 100 100 TRP CA C 13 53.179 0.0 . . . . . A 100 TRP CA . 17674 1 908 . 1 1 100 100 TRP CB C 13 28.228 0.0 . . . . . A 100 TRP CB . 17674 1 909 . 1 1 100 100 TRP N N 15 116.0 0.0 . . . . . A 100 TRP N . 17674 1 910 . 1 1 101 101 PHE H H 1 8.026 0.0 . . . . . A 101 PHE H . 17674 1 911 . 1 1 101 101 PHE HA H 1 5.373 0.0 . . . . . A 101 PHE HA . 17674 1 912 . 1 1 101 101 PHE HB2 H 1 2.722 0.0 . . . . . A 101 PHE HB2 . 17674 1 913 . 1 1 101 101 PHE HB3 H 1 3.456 0.0 . . . . . A 101 PHE HB3 . 17674 1 914 . 1 1 101 101 PHE C C 13 175.044 0.0 . . . . . A 101 PHE C . 17674 1 915 . 1 1 101 101 PHE CA C 13 55.472 0.0 . . . . . A 101 PHE CA . 17674 1 916 . 1 1 101 101 PHE CB C 13 39.22 0.0 . . . . . A 101 PHE CB . 17674 1 917 . 1 1 101 101 PHE N N 15 124.185 0.0 . . . . . A 101 PHE N . 17674 1 918 . 1 1 102 102 VAL H H 1 8.499 0.0 . . . . . A 102 VAL H . 17674 1 919 . 1 1 102 102 VAL HA H 1 3.939 0.0 . . . . . A 102 VAL HA . 17674 1 920 . 1 1 102 102 VAL HB H 1 2.027 0.0 . . . . . A 102 VAL HB . 17674 1 921 . 1 1 102 102 VAL HG11 H 1 0.508 0.0 . . . . . A 102 VAL HG11 . 17674 1 922 . 1 1 102 102 VAL HG12 H 1 0.508 0.0 . . . . . A 102 VAL HG12 . 17674 1 923 . 1 1 102 102 VAL HG13 H 1 0.508 0.0 . . . . . A 102 VAL HG13 . 17674 1 924 . 1 1 102 102 VAL C C 13 174.22 0.0 . . . . . A 102 VAL C . 17674 1 925 . 1 1 102 102 VAL CA C 13 60.975 0.0 . . . . . A 102 VAL CA . 17674 1 926 . 1 1 102 102 VAL CB C 13 30.243 0.0 . . . . . A 102 VAL CB . 17674 1 927 . 1 1 102 102 VAL N N 15 120.282 0.0 . . . . . A 102 VAL N . 17674 1 928 . 1 1 103 103 GLY H H 1 8.996 0.0 . . . . . A 103 GLY H . 17674 1 929 . 1 1 103 103 GLY HA2 H 1 4.926 0.0 . . . . . A 103 GLY HA2 . 17674 1 930 . 1 1 103 103 GLY HA3 H 1 3.18 0.0 . . . . . A 103 GLY HA3 . 17674 1 931 . 1 1 103 103 GLY C C 13 169.388 0.0 . . . . . A 103 GLY C . 17674 1 932 . 1 1 103 103 GLY CA C 13 43.802 0.0 . . . . . A 103 GLY CA . 17674 1 933 . 1 1 103 103 GLY N N 15 114.668 0.0 . . . . . A 103 GLY N . 17674 1 934 . 1 1 104 104 LEU H H 1 8.118 0.0 . . . . . A 104 LEU H . 17674 1 935 . 1 1 104 104 LEU HA H 1 4.959 0.0 . . . . . A 104 LEU HA . 17674 1 936 . 1 1 104 104 LEU HB2 H 1 2.229 0.0 . . . . . A 104 LEU HB2 . 17674 1 937 . 1 1 104 104 LEU HG H 1 1.629 0.0 . . . . . A 104 LEU HG . 17674 1 938 . 1 1 104 104 LEU HD11 H 1 0.747 0.0 . . . . . A 104 LEU HD11 . 17674 1 939 . 1 1 104 104 LEU HD12 H 1 0.747 0.0 . . . . . A 104 LEU HD12 . 17674 1 940 . 1 1 104 104 LEU HD13 H 1 0.747 0.0 . . . . . A 104 LEU HD13 . 17674 1 941 . 1 1 104 104 LEU HD21 H 1 0.631 0.0 . . . . . A 104 LEU HD21 . 17674 1 942 . 1 1 104 104 LEU HD22 H 1 0.631 0.0 . . . . . A 104 LEU HD22 . 17674 1 943 . 1 1 104 104 LEU HD23 H 1 0.631 0.0 . . . . . A 104 LEU HD23 . 17674 1 944 . 1 1 104 104 LEU C C 13 174.252 0.0 . . . . . A 104 LEU C . 17674 1 945 . 1 1 104 104 LEU CA C 13 51.207 0.0 . . . . . A 104 LEU CA . 17674 1 946 . 1 1 104 104 LEU CB C 13 43.579 0.0 . . . . . A 104 LEU CB . 17674 1 947 . 1 1 104 104 LEU N N 15 119.1 0.0 . . . . . A 104 LEU N . 17674 1 948 . 1 1 105 105 LYS H H 1 8.847 0.0 . . . . . A 105 LYS H . 17674 1 949 . 1 1 105 105 LYS HA H 1 4.215 0.0 . . . . . A 105 LYS HA . 17674 1 950 . 1 1 105 105 LYS HB2 H 1 1.781 0.0 . . . . . A 105 LYS HB2 . 17674 1 951 . 1 1 105 105 LYS HB3 H 1 2.121 0.0 . . . . . A 105 LYS HB3 . 17674 1 952 . 1 1 105 105 LYS HD2 H 1 1.737 0.0 . . . . . A 105 LYS HD2 . 17674 1 953 . 1 1 105 105 LYS HD3 H 1 1.59 0.0 . . . . . A 105 LYS HD3 . 17674 1 954 . 1 1 105 105 LYS HE2 H 1 3.128 0.0 . . . . . A 105 LYS HE2 . 17674 1 955 . 1 1 105 105 LYS C C 13 176.404 0.0 . . . . . A 105 LYS C . 17674 1 956 . 1 1 105 105 LYS CA C 13 54.035 0.0 . . . . . A 105 LYS CA . 17674 1 957 . 1 1 105 105 LYS N N 15 118.9 0.0 . . . . . A 105 LYS N . 17674 1 958 . 1 1 106 106 LYS H H 1 8.98 0.0 . . . . . A 106 LYS H . 17674 1 959 . 1 1 106 106 LYS HA H 1 3.624 0.0 . . . . . A 106 LYS HA . 17674 1 960 . 1 1 106 106 LYS HB2 H 1 1.475 0.0 . . . . . A 106 LYS HB2 . 17674 1 961 . 1 1 106 106 LYS HB3 H 1 1.761 0.0 . . . . . A 106 LYS HB3 . 17674 1 962 . 1 1 106 106 LYS HG2 H 1 1.536 0.0 . . . . . A 106 LYS HG2 . 17674 1 963 . 1 1 106 106 LYS HE2 H 1 3.082 0.0 . . . . . A 106 LYS HE2 . 17674 1 964 . 1 1 106 106 LYS C C 13 174.499 0.0 . . . . . A 106 LYS C . 17674 1 965 . 1 1 106 106 LYS CA C 13 57.672 0.0 . . . . . A 106 LYS CA . 17674 1 966 . 1 1 106 106 LYS CB C 13 29.78 0.0 . . . . . A 106 LYS CB . 17674 1 967 . 1 1 106 106 LYS N N 15 122.172 0.0 . . . . . A 106 LYS N . 17674 1 968 . 1 1 107 107 ASN H H 1 7.352 0.0 . . . . . A 107 ASN H . 17674 1 969 . 1 1 107 107 ASN HA H 1 4.678 0.0 . . . . . A 107 ASN HA . 17674 1 970 . 1 1 107 107 ASN HB2 H 1 2.762 0.0 . . . . . A 107 ASN HB2 . 17674 1 971 . 1 1 107 107 ASN HB3 H 1 3.318 0.0 . . . . . A 107 ASN HB3 . 17674 1 972 . 1 1 107 107 ASN C C 13 174.511 0.0 . . . . . A 107 ASN C . 17674 1 973 . 1 1 107 107 ASN CA C 13 49.523 0.0 . . . . . A 107 ASN CA . 17674 1 974 . 1 1 107 107 ASN CB C 13 35.121 0.0 . . . . . A 107 ASN CB . 17674 1 975 . 1 1 107 107 ASN N N 15 112.743 0.0 . . . . . A 107 ASN N . 17674 1 976 . 1 1 108 108 GLY H H 1 7.656 0.0 . . . . . A 108 GLY H . 17674 1 977 . 1 1 108 108 GLY HA2 H 1 3.358 0.0 . . . . . A 108 GLY HA2 . 17674 1 978 . 1 1 108 108 GLY HA3 H 1 3.171 0.0 . . . . . A 108 GLY HA3 . 17674 1 979 . 1 1 108 108 GLY C C 13 169.305 0.0 . . . . . A 108 GLY C . 17674 1 980 . 1 1 108 108 GLY CA C 13 42.207 0.0 . . . . . A 108 GLY CA . 17674 1 981 . 1 1 108 108 GLY N N 15 109.9 0.0 . . . . . A 108 GLY N . 17674 1 982 . 1 1 109 109 SER H H 1 7.28 0.0 . . . . . A 109 SER H . 17674 1 983 . 1 1 109 109 SER HA H 1 4.755 0.0 . . . . . A 109 SER HA . 17674 1 984 . 1 1 109 109 SER HB2 H 1 3.913 0.0 . . . . . A 109 SER HB2 . 17674 1 985 . 1 1 109 109 SER HB3 H 1 3.913 0.0 . . . . . A 109 SER HB3 . 17674 1 986 . 1 1 109 109 SER C C 13 171.244 0.0 . . . . . A 109 SER C . 17674 1 987 . 1 1 109 109 SER CA C 13 55.139 0.0 . . . . . A 109 SER CA . 17674 1 988 . 1 1 109 109 SER CB C 13 62.749 0.0 . . . . . A 109 SER CB . 17674 1 989 . 1 1 109 109 SER N N 15 112.357 0.0 . . . . . A 109 SER N . 17674 1 990 . 1 1 110 110 CYS H H 1 9.07 0.0 . . . . . A 110 CYS H . 17674 1 991 . 1 1 110 110 CYS HA H 1 4.296 0.0 . . . . . A 110 CYS HA . 17674 1 992 . 1 1 110 110 CYS HB2 H 1 3.143 0.0 . . . . . A 110 CYS HB2 . 17674 1 993 . 1 1 110 110 CYS HB3 H 1 3.217 0.0 . . . . . A 110 CYS HB3 . 17674 1 994 . 1 1 110 110 CYS C C 13 172.131 0.0 . . . . . A 110 CYS C . 17674 1 995 . 1 1 110 110 CYS CA C 13 57.858 0.0 . . . . . A 110 CYS CA . 17674 1 996 . 1 1 110 110 CYS CB C 13 37.322 0.0 . . . . . A 110 CYS CB . 17674 1 997 . 1 1 110 110 CYS N N 15 119.883 0.0 . . . . . A 110 CYS N . 17674 1 998 . 1 1 111 111 LYS H H 1 8.095 0.0 . . . . . A 111 LYS H . 17674 1 999 . 1 1 111 111 LYS HA H 1 4.38 0.0 . . . . . A 111 LYS HA . 17674 1 1000 . 1 1 111 111 LYS HB2 H 1 1.458 0.0 . . . . . A 111 LYS HB2 . 17674 1 1001 . 1 1 111 111 LYS HB3 H 1 1.458 0.0 . . . . . A 111 LYS HB3 . 17674 1 1002 . 1 1 111 111 LYS HG2 H 1 1.134 0.0 . . . . . A 111 LYS HG2 . 17674 1 1003 . 1 1 111 111 LYS HD2 H 1 1.25 0.0 . . . . . A 111 LYS HD2 . 17674 1 1004 . 1 1 111 111 LYS C C 13 172.265 0.0 . . . . . A 111 LYS C . 17674 1 1005 . 1 1 111 111 LYS CA C 13 52.117 0.0 . . . . . A 111 LYS CA . 17674 1 1006 . 1 1 111 111 LYS CB C 13 30.98 0.0 . . . . . A 111 LYS CB . 17674 1 1007 . 1 1 111 111 LYS N N 15 128.642 0.0 . . . . . A 111 LYS N . 17674 1 1008 . 1 1 112 112 ARG H H 1 8.566 0.0 . . . . . A 112 ARG H . 17674 1 1009 . 1 1 112 112 ARG HA H 1 4.252 0.0 . . . . . A 112 ARG HA . 17674 1 1010 . 1 1 112 112 ARG HB2 H 1 1.554 0.0 . . . . . A 112 ARG HB2 . 17674 1 1011 . 1 1 112 112 ARG HB3 H 1 1.554 0.0 . . . . . A 112 ARG HB3 . 17674 1 1012 . 1 1 112 112 ARG HG2 H 1 1.65 0.0 . . . . . A 112 ARG HG2 . 17674 1 1013 . 1 1 112 112 ARG HD2 H 1 3.143 0.0 . . . . . A 112 ARG HD2 . 17674 1 1014 . 1 1 112 112 ARG HD3 H 1 3.143 0.0 . . . . . A 112 ARG HD3 . 17674 1 1015 . 1 1 112 112 ARG C C 13 175.24 0.0 . . . . . A 112 ARG C . 17674 1 1016 . 1 1 112 112 ARG CA C 13 54.295 0.0 . . . . . A 112 ARG CA . 17674 1 1017 . 1 1 112 112 ARG CB C 13 28.927 0.0 . . . . . A 112 ARG CB . 17674 1 1018 . 1 1 112 112 ARG N N 15 124.7 0.0 . . . . . A 112 ARG N . 17674 1 1019 . 1 1 113 113 GLY H H 1 9.408 0.0 . . . . . A 113 GLY H . 17674 1 1020 . 1 1 113 113 GLY HA2 H 1 3.51 0.0 . . . . . A 113 GLY HA2 . 17674 1 1021 . 1 1 113 113 GLY C C 13 169.61 0.0 . . . . . A 113 GLY C . 17674 1 1022 . 1 1 113 113 GLY CA C 13 44.552 0.0 . . . . . A 113 GLY CA . 17674 1 1023 . 1 1 113 113 GLY N N 15 106.636 0.0 . . . . . A 113 GLY N . 17674 1 1024 . 1 1 114 114 PRO HA H 1 4.321 0.0 . . . . . A 114 PRO HA . 17674 1 1025 . 1 1 114 114 PRO HB2 H 1 1.892 0.0 . . . . . A 114 PRO HB2 . 17674 1 1026 . 1 1 114 114 PRO HB3 H 1 2.36 0.0 . . . . . A 114 PRO HB3 . 17674 1 1027 . 1 1 114 114 PRO HG2 H 1 1.652 0.0 . . . . . A 114 PRO HG2 . 17674 1 1028 . 1 1 114 114 PRO HG3 H 1 1.505 0.0 . . . . . A 114 PRO HG3 . 17674 1 1029 . 1 1 114 114 PRO C C 13 174.543 0.0 . . . . . A 114 PRO C . 17674 1 1030 . 1 1 114 114 PRO CA C 13 62.529 0.0 . . . . . A 114 PRO CA . 17674 1 1031 . 1 1 115 115 ARG H H 1 8.067 0.0 . . . . . A 115 ARG H . 17674 1 1032 . 1 1 115 115 ARG HA H 1 4.508 0.0 . . . . . A 115 ARG HA . 17674 1 1033 . 1 1 115 115 ARG HB2 H 1 1.926 0.0 . . . . . A 115 ARG HB2 . 17674 1 1034 . 1 1 115 115 ARG HB3 H 1 2.133 0.0 . . . . . A 115 ARG HB3 . 17674 1 1035 . 1 1 115 115 ARG HD2 H 1 3.205 0.0 . . . . . A 115 ARG HD2 . 17674 1 1036 . 1 1 115 115 ARG HD3 H 1 3.082 0.0 . . . . . A 115 ARG HD3 . 17674 1 1037 . 1 1 115 115 ARG C C 13 174.68 0.0 . . . . . A 115 ARG C . 17674 1 1038 . 1 1 115 115 ARG CA C 13 52.011 0.0 . . . . . A 115 ARG CA . 17674 1 1039 . 1 1 115 115 ARG CB C 13 27.143 0.0 . . . . . A 115 ARG CB . 17674 1 1040 . 1 1 115 115 ARG N N 15 114.5 0.0 . . . . . A 115 ARG N . 17674 1 1041 . 1 1 116 116 THR H H 1 7.643 0.0 . . . . . A 116 THR H . 17674 1 1042 . 1 1 116 116 THR HA H 1 5.198 0.0 . . . . . A 116 THR HA . 17674 1 1043 . 1 1 116 116 THR HB H 1 4.104 0.0 . . . . . A 116 THR HB . 17674 1 1044 . 1 1 116 116 THR HG21 H 1 1.118 0.0 . . . . . A 116 THR HG21 . 17674 1 1045 . 1 1 116 116 THR HG22 H 1 1.118 0.0 . . . . . A 116 THR HG22 . 17674 1 1046 . 1 1 116 116 THR HG23 H 1 1.118 0.0 . . . . . A 116 THR HG23 . 17674 1 1047 . 1 1 116 116 THR C C 13 172.573 0.0 . . . . . A 116 THR C . 17674 1 1048 . 1 1 116 116 THR CA C 13 58.712 0.0 . . . . . A 116 THR CA . 17674 1 1049 . 1 1 116 116 THR CB C 13 70.086 0.0 . . . . . A 116 THR CB . 17674 1 1050 . 1 1 116 116 THR N N 15 111.716 0.0 . . . . . A 116 THR N . 17674 1 1051 . 1 1 117 117 HIS H H 1 7.091 0.0 . . . . . A 117 HIS H . 17674 1 1052 . 1 1 117 117 HIS HA H 1 4.868 0.0 . . . . . A 117 HIS HA . 17674 1 1053 . 1 1 117 117 HIS HB2 H 1 3.222 0.0 . . . . . A 117 HIS HB2 . 17674 1 1054 . 1 1 117 117 HIS HB3 H 1 3.4 0.0 . . . . . A 117 HIS HB3 . 17674 1 1055 . 1 1 117 117 HIS C C 13 170.344 0.0 . . . . . A 117 HIS C . 17674 1 1056 . 1 1 117 117 HIS CA C 13 53.291 0.0 . . . . . A 117 HIS CA . 17674 1 1057 . 1 1 117 117 HIS CB C 13 29.133 0.0 . . . . . A 117 HIS CB . 17674 1 1058 . 1 1 117 117 HIS N N 15 112.914 0.0 . . . . . A 117 HIS N . 17674 1 1059 . 1 1 118 118 TYR H H 1 9.02 0.0 . . . . . A 118 TYR H . 17674 1 1060 . 1 1 118 118 TYR HA H 1 3.897 0.0 . . . . . A 118 TYR HA . 17674 1 1061 . 1 1 118 118 TYR HB2 H 1 2.936 0.0 . . . . . A 118 TYR HB2 . 17674 1 1062 . 1 1 118 118 TYR HB3 H 1 3.089 0.0 . . . . . A 118 TYR HB3 . 17674 1 1063 . 1 1 118 118 TYR C C 13 174.446 0.0 . . . . . A 118 TYR C . 17674 1 1064 . 1 1 118 118 TYR CA C 13 58.801 0.0 . . . . . A 118 TYR CA . 17674 1 1065 . 1 1 118 118 TYR CB C 13 34.165 0.0 . . . . . A 118 TYR CB . 17674 1 1066 . 1 1 118 118 TYR N N 15 123.051 0.0 . . . . . A 118 TYR N . 17674 1 1067 . 1 1 119 119 GLY H H 1 7.999 0.0 . . . . . A 119 GLY H . 17674 1 1068 . 1 1 119 119 GLY HA2 H 1 4.385 0.0 . . . . . A 119 GLY HA2 . 17674 1 1069 . 1 1 119 119 GLY HA3 H 1 3.296 0.0 . . . . . A 119 GLY HA3 . 17674 1 1070 . 1 1 119 119 GLY C C 13 172.439 0.0 . . . . . A 119 GLY C . 17674 1 1071 . 1 1 119 119 GLY CA C 13 42.599 0.0 . . . . . A 119 GLY CA . 17674 1 1072 . 1 1 119 119 GLY N N 15 116.885 0.0 . . . . . A 119 GLY N . 17674 1 1073 . 1 1 120 120 GLN H H 1 7.003 0.0 . . . . . A 120 GLN H . 17674 1 1074 . 1 1 120 120 GLN HA H 1 4.262 0.0 . . . . . A 120 GLN HA . 17674 1 1075 . 1 1 120 120 GLN HB2 H 1 2.005 0.0 . . . . . A 120 GLN HB2 . 17674 1 1076 . 1 1 120 120 GLN HB3 H 1 2.118 0.0 . . . . . A 120 GLN HB3 . 17674 1 1077 . 1 1 120 120 GLN C C 13 174.995 0.0 . . . . . A 120 GLN C . 17674 1 1078 . 1 1 120 120 GLN CA C 13 52.617 0.0 . . . . . A 120 GLN CA . 17674 1 1079 . 1 1 120 120 GLN CB C 13 27.324 0.0 . . . . . A 120 GLN CB . 17674 1 1080 . 1 1 120 120 GLN N N 15 118.266 0.0 . . . . . A 120 GLN N . 17674 1 1081 . 1 1 121 121 LYS H H 1 8.477 0.0 . . . . . A 121 LYS H . 17674 1 1082 . 1 1 121 121 LYS HA H 1 3.809 0.0 . . . . . A 121 LYS HA . 17674 1 1083 . 1 1 121 121 LYS HB2 H 1 1.443 0.0 . . . . . A 121 LYS HB2 . 17674 1 1084 . 1 1 121 121 LYS HB3 H 1 1.567 0.0 . . . . . A 121 LYS HB3 . 17674 1 1085 . 1 1 121 121 LYS HG2 H 1 1.28 0.0 . . . . . A 121 LYS HG2 . 17674 1 1086 . 1 1 121 121 LYS HD2 H 1 1.56 0.0 . . . . . A 121 LYS HD2 . 17674 1 1087 . 1 1 121 121 LYS C C 13 172.702 0.0 . . . . . A 121 LYS C . 17674 1 1088 . 1 1 121 121 LYS CA C 13 56.243 0.0 . . . . . A 121 LYS CA . 17674 1 1089 . 1 1 121 121 LYS CB C 13 29.598 0.0 . . . . . A 121 LYS CB . 17674 1 1090 . 1 1 121 121 LYS N N 15 121.222 0.0 . . . . . A 121 LYS N . 17674 1 1091 . 1 1 122 122 ALA H H 1 7.526 0.0 . . . . . A 122 ALA H . 17674 1 1092 . 1 1 122 122 ALA HA H 1 3.947 0.0 . . . . . A 122 ALA HA . 17674 1 1093 . 1 1 122 122 ALA HB1 H 1 1.143 0.0 . . . . . A 122 ALA HB1 . 17674 1 1094 . 1 1 122 122 ALA HB2 H 1 1.143 0.0 . . . . . A 122 ALA HB2 . 17674 1 1095 . 1 1 122 122 ALA HB3 H 1 1.143 0.0 . . . . . A 122 ALA HB3 . 17674 1 1096 . 1 1 122 122 ALA C C 13 172.756 0.0 . . . . . A 122 ALA C . 17674 1 1097 . 1 1 122 122 ALA CA C 13 52.338 0.0 . . . . . A 122 ALA CA . 17674 1 1098 . 1 1 122 122 ALA CB C 13 18.675 0.0 . . . . . A 122 ALA CB . 17674 1 1099 . 1 1 122 122 ALA N N 15 116.019 0.0 . . . . . A 122 ALA N . 17674 1 1100 . 1 1 123 123 ILE H H 1 5.794 0.0 . . . . . A 123 ILE H . 17674 1 1101 . 1 1 123 123 ILE HA H 1 5.184 0.0 . . . . . A 123 ILE HA . 17674 1 1102 . 1 1 123 123 ILE HB H 1 2.232 0.0 . . . . . A 123 ILE HB . 17674 1 1103 . 1 1 123 123 ILE HG12 H 1 1.064 0.0 . . . . . A 123 ILE HG12 . 17674 1 1104 . 1 1 123 123 ILE HG21 H 1 0.601 0.0 . . . . . A 123 ILE HG21 . 17674 1 1105 . 1 1 123 123 ILE HG22 H 1 0.601 0.0 . . . . . A 123 ILE HG22 . 17674 1 1106 . 1 1 123 123 ILE HG23 H 1 0.601 0.0 . . . . . A 123 ILE HG23 . 17674 1 1107 . 1 1 123 123 ILE HD11 H 1 -0.126 0.0 . . . . . A 123 ILE HD11 . 17674 1 1108 . 1 1 123 123 ILE HD12 H 1 -0.126 0.0 . . . . . A 123 ILE HD12 . 17674 1 1109 . 1 1 123 123 ILE HD13 H 1 -0.126 0.0 . . . . . A 123 ILE HD13 . 17674 1 1110 . 1 1 123 123 ILE C C 13 172.79 0.0 . . . . . A 123 ILE C . 17674 1 1111 . 1 1 123 123 ILE CA C 13 57.297 0.0 . . . . . A 123 ILE CA . 17674 1 1112 . 1 1 123 123 ILE CB C 13 35.425 0.0 . . . . . A 123 ILE CB . 17674 1 1113 . 1 1 123 123 ILE N N 15 101.2 0.0 . . . . . A 123 ILE N . 17674 1 1114 . 1 1 124 124 LEU H H 1 6.716 0.0 . . . . . A 124 LEU H . 17674 1 1115 . 1 1 124 124 LEU HA H 1 4.597 0.0 . . . . . A 124 LEU HA . 17674 1 1116 . 1 1 124 124 LEU HB2 H 1 0.67 0.0 . . . . . A 124 LEU HB2 . 17674 1 1117 . 1 1 124 124 LEU HB3 H 1 0.67 0.0 . . . . . A 124 LEU HB3 . 17674 1 1118 . 1 1 124 124 LEU HD11 H 1 0.407 0.0 . . . . . A 124 LEU HD11 . 17674 1 1119 . 1 1 124 124 LEU HD12 H 1 0.407 0.0 . . . . . A 124 LEU HD12 . 17674 1 1120 . 1 1 124 124 LEU HD13 H 1 0.407 0.0 . . . . . A 124 LEU HD13 . 17674 1 1121 . 1 1 124 124 LEU HD21 H 1 0.407 0.0 . . . . . A 124 LEU HD21 . 17674 1 1122 . 1 1 124 124 LEU HD22 H 1 0.407 0.0 . . . . . A 124 LEU HD22 . 17674 1 1123 . 1 1 124 124 LEU HD23 H 1 0.407 0.0 . . . . . A 124 LEU HD23 . 17674 1 1124 . 1 1 124 124 LEU C C 13 173.411 0.0 . . . . . A 124 LEU C . 17674 1 1125 . 1 1 124 124 LEU CA C 13 51.686 0.0 . . . . . A 124 LEU CA . 17674 1 1126 . 1 1 124 124 LEU CB C 13 39.622 0.0 . . . . . A 124 LEU CB . 17674 1 1127 . 1 1 124 124 LEU N N 15 121.554 0.0 . . . . . A 124 LEU N . 17674 1 1128 . 1 1 125 125 PHE H H 1 9.226 0.0 . . . . . A 125 PHE H . 17674 1 1129 . 1 1 125 125 PHE HA H 1 5.612 0.0 . . . . . A 125 PHE HA . 17674 1 1130 . 1 1 125 125 PHE HB2 H 1 2.803 0.0 . . . . . A 125 PHE HB2 . 17674 1 1131 . 1 1 125 125 PHE HB3 H 1 3.178 0.0 . . . . . A 125 PHE HB3 . 17674 1 1132 . 1 1 125 125 PHE C C 13 172.768 0.0 . . . . . A 125 PHE C . 17674 1 1133 . 1 1 125 125 PHE CA C 13 54.604 0.0 . . . . . A 125 PHE CA . 17674 1 1134 . 1 1 125 125 PHE CB C 13 41.692 0.0 . . . . . A 125 PHE CB . 17674 1 1135 . 1 1 125 125 PHE N N 15 121.9 0.0 . . . . . A 125 PHE N . 17674 1 1136 . 1 1 126 126 LEU H H 1 9.932 0.0 . . . . . A 126 LEU H . 17674 1 1137 . 1 1 126 126 LEU CA C 13 48.875 0.0 . . . . . A 126 LEU CA . 17674 1 1138 . 1 1 126 126 LEU N N 15 125.427 0.0 . . . . . A 126 LEU N . 17674 1 1139 . 1 1 127 127 PRO HA H 1 5.587 0.0 . . . . . A 127 PRO HA . 17674 1 1140 . 1 1 127 127 PRO HB2 H 1 2.04 0.0 . . . . . A 127 PRO HB2 . 17674 1 1141 . 1 1 127 127 PRO HG2 H 1 2.386 0.0 . . . . . A 127 PRO HG2 . 17674 1 1142 . 1 1 127 127 PRO C C 13 174.541 0.0 . . . . . A 127 PRO C . 17674 1 1143 . 1 1 127 127 PRO CA C 13 58.907 0.0 . . . . . A 127 PRO CA . 17674 1 1144 . 1 1 127 127 PRO CB C 13 28.73 0.0 . . . . . A 127 PRO CB . 17674 1 1145 . 1 1 128 128 LEU H H 1 9.674 0.0 . . . . . A 128 LEU H . 17674 1 1146 . 1 1 128 128 LEU C C 13 175.96 0.0 . . . . . A 128 LEU C . 17674 1 1147 . 1 1 128 128 LEU CA C 13 49.523 0.0 . . . . . A 128 LEU CA . 17674 1 1148 . 1 1 128 128 LEU N N 15 129.196 0.0 . . . . . A 128 LEU N . 17674 1 1149 . 1 1 129 129 PRO HA H 1 4.71 0.0 . . . . . A 129 PRO HA . 17674 1 1150 . 1 1 129 129 PRO HB2 H 1 1.961 0.0 . . . . . A 129 PRO HB2 . 17674 1 1151 . 1 1 129 129 PRO HB3 H 1 2.355 0.0 . . . . . A 129 PRO HB3 . 17674 1 1152 . 1 1 129 129 PRO HG2 H 1 2.146 0.0 . . . . . A 129 PRO HG2 . 17674 1 1153 . 1 1 129 129 PRO HD2 H 1 3.901 0.0 . . . . . A 129 PRO HD2 . 17674 1 1154 . 1 1 129 129 PRO HD3 H 1 3.654 0.0 . . . . . A 129 PRO HD3 . 17674 1 1155 . 1 1 129 129 PRO C C 13 174.414 0.0 . . . . . A 129 PRO C . 17674 1 1156 . 1 1 129 129 PRO CA C 13 60.043 0.0 . . . . . A 129 PRO CA . 17674 1 1157 . 1 1 129 129 PRO CB C 13 29.8 0.0 . . . . . A 129 PRO CB . 17674 1 1158 . 1 1 130 130 VAL H H 1 6.392 0.0 . . . . . A 130 VAL H . 17674 1 1159 . 1 1 130 130 VAL HA H 1 3.794 0.0 . . . . . A 130 VAL HA . 17674 1 1160 . 1 1 130 130 VAL HB H 1 1.985 0.0 . . . . . A 130 VAL HB . 17674 1 1161 . 1 1 130 130 VAL HG11 H 1 0.832 0.0 . . . . . A 130 VAL HG11 . 17674 1 1162 . 1 1 130 130 VAL HG12 H 1 0.832 0.0 . . . . . A 130 VAL HG12 . 17674 1 1163 . 1 1 130 130 VAL HG13 H 1 0.832 0.0 . . . . . A 130 VAL HG13 . 17674 1 1164 . 1 1 130 130 VAL HG21 H 1 0.832 0.0 . . . . . A 130 VAL HG21 . 17674 1 1165 . 1 1 130 130 VAL HG22 H 1 0.832 0.0 . . . . . A 130 VAL HG22 . 17674 1 1166 . 1 1 130 130 VAL HG23 H 1 0.832 0.0 . . . . . A 130 VAL HG23 . 17674 1 1167 . 1 1 130 130 VAL C C 13 174.097 0.0 . . . . . A 130 VAL C . 17674 1 1168 . 1 1 130 130 VAL CA C 13 61.494 0.0 . . . . . A 130 VAL CA . 17674 1 1169 . 1 1 130 130 VAL CB C 13 29.649 0.0 . . . . . A 130 VAL CB . 17674 1 1170 . 1 1 130 130 VAL N N 15 116.125 0.0 . . . . . A 130 VAL N . 17674 1 stop_ save_