data_4700 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4700 _Entry.Title ; Structure of Cdc42 bound to the GTPase Binding Domain of PAK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-23 _Entry.Accession_date 2000-03-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Angela Morreale . . . 4700 2 Meenakshi Venkatesan . . . 4700 3 Helen Mott . R. . 4700 4 Darerca Owen . . . 4700 5 Daniel Nietlispach . . . 4700 6 Peter Lowe . N. . 4700 7 Ernest Laue . D. . 4700 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4700 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 741 4700 '1H chemical shifts' 1550 4700 '15N chemical shifts' 224 4700 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 2 . . 2008-07-29 2000-03-23 update BMRB 'Updating non-standard residue' 4700 1 . . 2000-12-18 2000-03-23 original author . 4700 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4700 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20264518 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Morreale, A., Venkatesan, M., Mott, H.R., Owen, D., Nietlispach, D., Lowe, P.N., and Laue, E.D., "Structure of Cdc42 bound to the GTPase Binding Domain of PAK," Nat. Struct. Biol. 7, 384-388 (2000). ; _Citation.Title 'Structure of Cdc42 bound to the GTPase Binding Domain of PAK' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 7 _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 384 _Citation.Page_last 388 _Citation.Year 2000 _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 Angela Morreale . . . 4700 1 2 Meenakshi Venkatesan . . . 4700 1 3 Helen Mott . R. . 4700 1 4 Darerca Owen . . . 4700 1 5 Daniel Nietlispach . . . 4700 1 6 Peter Lowe . N. . 4700 1 7 Ernest Laue . D. . 4700 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'G protein' 4700 1 kinase 4700 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Cdc42_and_PAK _Assembly.Sf_category assembly _Assembly.Sf_framecode Cdc42_and_PAK _Assembly.Entry_ID 4700 _Assembly.ID 1 _Assembly.Name 'Cdc42 + fragment of PAK' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID heterodimer 4700 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Cdc42 1 $Cdc42 . . . native . . . . . 4700 1 2 PAK 2 $PAK . . . native . . . . . 4700 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Cdc42 + fragment of PAK' system 4700 1 'Cdc42 and PAK' abbreviation 4700 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cdc42: small GTPase involved in cytoskeletal regulation' 4700 1 'PAK: Ser/Thr kinase Cdc42 binding' 4700 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cdc42 _Entity.Sf_category entity _Entity.Sf_framecode Cdc42 _Entity.Entry_ID 4700 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cdc42 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQTIKCVVVGDGAVGKTCLL ISYTTNKFPSEYVPTVFDNY AVTVMIGGEPYTLGLFDTAG LEDYDRLRPLSYPQTDVFLV CFSVVSPSSFENVKEKWVPE ITHHCPKTPFLLVGTQIDLR DDPSTIEKLAKNKQKPITPE TAEKLARDLKAVKYVECSAL TQKGLKNVFDEAILAALEPP EPKKX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20430.40 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 15424 . Cdc42(T35A) . . . . . 96.22 178 98.88 98.88 2.20e-124 . . . . 4700 1 2 no PDB 1A4R . "G12v Mutant Of Human Placental Cdc42 Gtpase In The Gdp Form" . . . . . 99.46 191 98.91 98.91 3.92e-128 . . . . 4700 1 3 no PDB 1AJE . "Cdc42 From Human, Nmr, 20 Structures" . . . . . 99.46 194 99.46 99.46 5.80e-130 . . . . 4700 1 4 no PDB 1AM4 . "Complex Between Cdc42hs.Gmppnp And P50 Rhogap (H. Sapiens)" . . . . . 95.14 177 98.86 99.43 1.05e-122 . . . . 4700 1 5 no PDB 1AN0 . "Cdc42hs-Gdp Complex" . . . . . 98.92 190 98.91 98.91 3.02e-127 . . . . 4700 1 6 no PDB 1CEE . "Solution Structure Of Cdc42 In Complex With The Gtpase Binding Domain Of Wasp" . . . . . 96.76 179 99.44 99.44 6.96e-126 . . . . 4700 1 7 no PDB 1CF4 . "Cdc42ACK GTPASE-Binding Domain Complex" . . . . . 99.46 184 100.00 100.00 1.51e-130 . . . . 4700 1 8 no PDB 1DOA . "Structure Of The Rho Family Gtp-Binding Protein Cdc42 In Complex With The Multifunctional Regulator Rhogdi" . . . . . 99.46 191 99.46 99.46 1.01e-129 . . . . 4700 1 9 no PDB 1E0A . "Cdc42 Complexed With The Gtpase Binding Domain Of P21 Activated Kinase" . . . . . 99.46 184 100.00 100.00 1.51e-130 . . . . 4700 1 10 no PDB 1EES . "Solution Structure Of Cdc42hs Complexed With A Peptide Derived From P-21 Activated Kinase, Nmr, 20 Structures" . . . . . 96.22 178 99.44 99.44 4.46e-125 . . . . 4700 1 11 no PDB 1GRN . "Crystal Structure Of The Cdc42CDC42GAPALF3 COMPLEX." . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 12 no PDB 1GZS . "Crystal Structure Of The Complex Between The Gef Domain Of The Salmonella Typhimurium Sope Toxin And Human Cdc42" . . . . . 96.22 180 99.44 99.44 5.05e-125 . . . . 4700 1 13 no PDB 1KI1 . "Guanine Nucleotide Exchange Region Of Intersectin In Complex With Cdc42" . . . . . 99.46 188 99.46 99.46 6.67e-130 . . . . 4700 1 14 no PDB 1KZ7 . "Crystal Structure Of The DhPH FRAGMENT OF MURINE DBS IN Complex With The Placental Isoform Of Human Cdc42" . . . . . 99.46 188 99.46 99.46 6.67e-130 . . . . 4700 1 15 no PDB 1KZG . Dbscdc42(Y889f) . . . . . 99.46 188 99.46 99.46 6.67e-130 . . . . 4700 1 16 no PDB 1NF3 . "Structure Of Cdc42 In A Complex With The Gtpase-Binding Domain Of The Cell Polarity Protein, Par6" . . . . . 99.46 195 99.46 100.00 1.33e-129 . . . . 4700 1 17 no PDB 2ASE . "Nmr Structure Of The F28l Mutant Of Cdc42hs" . . . . . 96.22 178 98.88 98.88 3.05e-124 . . . . 4700 1 18 no PDB 2DFK . "Crystal Structure Of The Cdc42-Collybistin Ii Complex" . . . . . 99.46 194 99.46 99.46 2.15e-129 . . . . 4700 1 19 no PDB 2KB0 . Cdc42(T35a) . . . . . 96.22 178 98.88 98.88 2.20e-124 . . . . 4700 1 20 no PDB 2NGR . "Transition State Complex For Gtp Hydrolysis By Cdc42: Comparisons Of The High Resolution Structures For Cdc42 Bound To The Acti" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 21 no PDB 2ODB . "The Crystal Structure Of Human Cdc42 In Complex With The Crib Domain Of Human P21-Activated Kinase 6 (Pak6)" . . . . . 99.46 192 99.46 99.46 1.43e-129 . . . . 4700 1 22 no PDB 2QRZ . "Cdc42 Bound To Gmp-Pcp: Induced Fit By Effector Is Required" . . . . . 99.46 189 99.46 99.46 1.32e-129 . . . . 4700 1 23 no PDB 2WM9 . "Structure Of The Complex Between Dock9 And Cdc42." . . . . . 99.46 190 99.46 99.46 1.07e-129 . . . . 4700 1 24 no PDB 2WMN . "Structure Of The Complex Between Dock9 And Cdc42-Gdp." . . . . . 99.46 190 99.46 99.46 1.07e-129 . . . . 4700 1 25 no PDB 2WMO . "Structure Of The Complex Between Dock9 And Cdc42" . . . . . 99.46 190 99.46 99.46 1.07e-129 . . . . 4700 1 26 no PDB 3EG5 . "Crystal Structure Of Mdia1-Tsh Gbd-Fh3 In Complex With Cdc42-Gmppnp" . . . . . 96.22 178 98.88 99.44 8.41e-125 . . . . 4700 1 27 no PDB 3GCG . "Crystal Structure Of Map And Cdc42 Complex" . . . . . 95.68 182 99.44 99.44 8.89e-124 . . . . 4700 1 28 no PDB 3QBV . "Structure Of Designed Orthogonal Interaction Between Cdc42 And Nucleotide Exchange Domains Of Intersectin" . . . . . 96.22 178 98.88 98.88 8.63e-124 . . . . 4700 1 29 no PDB 3VHL . "Crystal Structure Of The Dhr-2 Domain Of Dock8 In Complex With Cdc42 (T17n Mutant)" . . . . . 99.46 195 98.91 98.91 2.69e-129 . . . . 4700 1 30 no PDB 4DID . "Crystal Structure Of Salmonella Effector N-Terminal Domain Sopb In Complex With Cdc42" . . . . . 98.92 193 99.45 99.45 3.80e-129 . . . . 4700 1 31 no PDB 4ITR . "Crystal Structure Of Ibpafic2-h3717a In Complex With Adenylylated Cdc42" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 32 no PDB 4JS0 . "Complex Of Cdc42 With The Crib-pr Domain Of Irsp53" . . . . . 96.22 178 98.88 98.88 9.21e-124 . . . . 4700 1 33 no PDB 4YC7 . "Crystal Structure Of Human Fmnl2 Gbd-fh3 Domains Bound To Cdc42-gppnhp" . . . . . 96.76 181 98.88 99.44 1.61e-125 . . . . 4700 1 34 no PDB 4YDH . "The Structure Of Human Fmnl1 N-terminal Domains Bound To Cdc42" . . . . . 96.76 181 98.88 99.44 1.61e-125 . . . . 4700 1 35 no DBJ BAB22563 . "unnamed protein product [Mus musculus]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 36 no DBJ BAC16312 . "Raichu-1054X [synthetic construct]" . . . . . 94.59 762 98.86 99.43 4.48e-116 . . . . 4700 1 37 no DBJ BAC34669 . "unnamed protein product [Mus musculus]" . . . . . 99.46 191 98.91 99.46 1.06e-128 . . . . 4700 1 38 no DBJ BAC35825 . "unnamed protein product [Mus musculus]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 39 no DBJ BAE01909 . "unnamed protein product [Macaca fascicularis]" . . . . . 99.46 191 98.91 99.46 5.73e-129 . . . . 4700 1 40 no EMBL CAA90215 . "CDC42 GTP-binding protein [Canis lupus familiaris]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 41 no EMBL CAB57325 . "hypothetical protein [Homo sapiens]" . . . . . 100.54 191 97.31 98.39 9.97e-127 . . . . 4700 1 42 no EMBL CAB57326 . "hypothetical protein [Homo sapiens]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 43 no EMBL CAB57327 . "hypothetical protein [Homo sapiens]" . . . . . 76.76 142 99.30 99.30 1.19e-97 . . . . 4700 1 44 no EMBL CAB57328 . "hypothetical protein [Homo sapiens]" . . . . . 62.70 116 99.14 99.14 9.94e-78 . . . . 4700 1 45 no GB AAA37410 . "CDC42Mm, partial [Mus musculus]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 46 no GB AAA52494 . "GTP-binding protein G25K [Homo sapiens]" . . . . . 100.54 191 97.31 98.39 9.97e-127 . . . . 4700 1 47 no GB AAA52592 . "GTP-binding protein G25K [Homo sapiens]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 48 no GB AAB40051 . "cdc42b [Mus musculus]" . . . . . 100.54 191 97.31 98.39 9.97e-127 . . . . 4700 1 49 no GB AAC00027 . "CDC42 [Gallus gallus]" . . . . . 99.46 191 99.46 99.46 2.05e-129 . . . . 4700 1 50 no REF NP_001003254 . "cell division control protein 42 homolog precursor [Canis lupus familiaris]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 51 no REF NP_001008027 . "cell division control protein 42 homolog isoform 1 [Xenopus (Silurana) tropicalis]" . . . . . 100.54 191 97.31 98.39 9.97e-127 . . . . 4700 1 52 no REF NP_001017070 . "cell division control protein 42 homolog isoform 2 [Xenopus (Silurana) tropicalis]" . . . . . 99.46 191 99.46 99.46 2.09e-129 . . . . 4700 1 53 no REF NP_001018130 . "cell division control protein 42 homolog isoform 2 [Danio rerio]" . . . . . 99.46 191 97.28 98.91 4.39e-127 . . . . 4700 1 54 no REF NP_001034891 . "cell division control protein 42 homolog isoform 1 precursor [Homo sapiens]" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 55 no SP P60766 . "RecName: Full=Cell division control protein 42 homolog; AltName: Full=G25K GTP-binding protein; Flags: Precursor" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 56 no SP P60952 . "RecName: Full=Cell division control protein 42 homolog; AltName: Full=G25K GTP-binding protein; Flags: Precursor" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 57 no SP P60953 . "RecName: Full=Cell division control protein 42 homolog; AltName: Full=G25K GTP-binding protein; Flags: Precursor" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 58 no SP Q007T2 . "RecName: Full=Cell division control protein 42 homolog; Flags: Precursor" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 59 no SP Q2KJ93 . "RecName: Full=Cell division control protein 42 homolog; Flags: Precursor" . . . . . 99.46 191 99.46 99.46 1.76e-129 . . . . 4700 1 60 no TPG DAA32122 . "TPA: cell division control protein 42 homolog precursor [Bos taurus]" . . . . . 89.19 165 99.39 99.39 3.92e-115 . . . . 4700 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Cdc42 common 4700 1 Q61L variant 4700 1 Cdc42 abbreviation 4700 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 1 MET . 4700 1 2 2 GLN . 4700 1 3 3 THR . 4700 1 4 4 ILE . 4700 1 5 5 LYS . 4700 1 6 6 CYS . 4700 1 7 7 VAL . 4700 1 8 8 VAL . 4700 1 9 9 VAL . 4700 1 10 10 GLY . 4700 1 11 11 ASP . 4700 1 12 12 GLY . 4700 1 13 13 ALA . 4700 1 14 14 VAL . 4700 1 15 15 GLY . 4700 1 16 16 LYS . 4700 1 17 17 THR . 4700 1 18 18 CYS . 4700 1 19 19 LEU . 4700 1 20 20 LEU . 4700 1 21 21 ILE . 4700 1 22 22 SER . 4700 1 23 23 TYR . 4700 1 24 24 THR . 4700 1 25 25 THR . 4700 1 26 26 ASN . 4700 1 27 27 LYS . 4700 1 28 28 PHE . 4700 1 29 29 PRO . 4700 1 30 30 SER . 4700 1 31 31 GLU . 4700 1 32 32 TYR . 4700 1 33 33 VAL . 4700 1 34 34 PRO . 4700 1 35 35 THR . 4700 1 36 36 VAL . 4700 1 37 37 PHE . 4700 1 38 38 ASP . 4700 1 39 39 ASN . 4700 1 40 40 TYR . 4700 1 41 41 ALA . 4700 1 42 42 VAL . 4700 1 43 43 THR . 4700 1 44 44 VAL . 4700 1 45 45 MET . 4700 1 46 46 ILE . 4700 1 47 47 GLY . 4700 1 48 48 GLY . 4700 1 49 49 GLU . 4700 1 50 50 PRO . 4700 1 51 51 TYR . 4700 1 52 52 THR . 4700 1 53 53 LEU . 4700 1 54 54 GLY . 4700 1 55 55 LEU . 4700 1 56 56 PHE . 4700 1 57 57 ASP . 4700 1 58 58 THR . 4700 1 59 59 ALA . 4700 1 60 60 GLY . 4700 1 61 61 LEU . 4700 1 62 62 GLU . 4700 1 63 63 ASP . 4700 1 64 64 TYR . 4700 1 65 65 ASP . 4700 1 66 66 ARG . 4700 1 67 67 LEU . 4700 1 68 68 ARG . 4700 1 69 69 PRO . 4700 1 70 70 LEU . 4700 1 71 71 SER . 4700 1 72 72 TYR . 4700 1 73 73 PRO . 4700 1 74 73 GLN . 4700 1 75 75 THR . 4700 1 76 76 ASP . 4700 1 77 77 VAL . 4700 1 78 78 PHE . 4700 1 79 79 LEU . 4700 1 80 80 VAL . 4700 1 81 81 CYS . 4700 1 82 82 PHE . 4700 1 83 83 SER . 4700 1 84 84 VAL . 4700 1 85 85 VAL . 4700 1 86 86 SER . 4700 1 87 87 PRO . 4700 1 88 88 SER . 4700 1 89 89 SER . 4700 1 90 90 PHE . 4700 1 91 91 GLU . 4700 1 92 92 ASN . 4700 1 93 93 VAL . 4700 1 94 94 LYS . 4700 1 95 95 GLU . 4700 1 96 96 LYS . 4700 1 97 97 TRP . 4700 1 98 98 VAL . 4700 1 99 99 PRO . 4700 1 100 100 GLU . 4700 1 101 101 ILE . 4700 1 102 102 THR . 4700 1 103 103 HIS . 4700 1 104 104 HIS . 4700 1 105 105 CYS . 4700 1 106 106 PRO . 4700 1 107 107 LYS . 4700 1 108 108 THR . 4700 1 109 109 PRO . 4700 1 110 110 PHE . 4700 1 111 111 LEU . 4700 1 112 112 LEU . 4700 1 113 113 VAL . 4700 1 114 114 GLY . 4700 1 115 115 THR . 4700 1 116 116 GLN . 4700 1 117 117 ILE . 4700 1 118 118 ASP . 4700 1 119 119 LEU . 4700 1 120 120 ARG . 4700 1 121 121 ASP . 4700 1 122 122 ASP . 4700 1 123 123 PRO . 4700 1 124 124 SER . 4700 1 125 125 THR . 4700 1 126 126 ILE . 4700 1 127 127 GLU . 4700 1 128 128 LYS . 4700 1 129 129 LEU . 4700 1 130 130 ALA . 4700 1 131 131 LYS . 4700 1 132 132 ASN . 4700 1 133 133 LYS . 4700 1 134 134 GLN . 4700 1 135 135 LYS . 4700 1 136 136 PRO . 4700 1 137 137 ILE . 4700 1 138 138 THR . 4700 1 139 139 PRO . 4700 1 140 140 GLU . 4700 1 141 141 THR . 4700 1 142 142 ALA . 4700 1 143 143 GLU . 4700 1 144 144 LYS . 4700 1 145 145 LEU . 4700 1 146 146 ALA . 4700 1 147 147 ARG . 4700 1 148 148 ASP . 4700 1 149 149 LEU . 4700 1 150 150 LYS . 4700 1 151 151 ALA . 4700 1 152 152 VAL . 4700 1 153 153 LYS . 4700 1 154 154 TYR . 4700 1 155 155 VAL . 4700 1 156 156 GLU . 4700 1 157 157 CYS . 4700 1 158 158 SER . 4700 1 159 159 ALA . 4700 1 160 160 LEU . 4700 1 161 161 THR . 4700 1 162 162 GLN . 4700 1 163 163 LYS . 4700 1 164 164 GLY . 4700 1 165 165 LEU . 4700 1 166 166 LYS . 4700 1 167 167 ASN . 4700 1 168 168 VAL . 4700 1 169 169 PHE . 4700 1 170 170 ASP . 4700 1 171 171 GLU . 4700 1 172 172 ALA . 4700 1 173 173 ILE . 4700 1 174 174 LEU . 4700 1 175 175 ALA . 4700 1 176 176 ALA . 4700 1 177 177 LEU . 4700 1 178 178 GLU . 4700 1 179 179 PRO . 4700 1 180 180 PRO . 4700 1 181 181 GLU . 4700 1 182 182 PRO . 4700 1 183 183 LYS . 4700 1 184 184 LYS . 4700 1 185 185 GNP . 4700 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4700 1 . GLN 2 2 4700 1 . THR 3 3 4700 1 . ILE 4 4 4700 1 . LYS 5 5 4700 1 . CYS 6 6 4700 1 . VAL 7 7 4700 1 . VAL 8 8 4700 1 . VAL 9 9 4700 1 . GLY 10 10 4700 1 . ASP 11 11 4700 1 . GLY 12 12 4700 1 . ALA 13 13 4700 1 . VAL 14 14 4700 1 . GLY 15 15 4700 1 . LYS 16 16 4700 1 . THR 17 17 4700 1 . CYS 18 18 4700 1 . LEU 19 19 4700 1 . LEU 20 20 4700 1 . ILE 21 21 4700 1 . SER 22 22 4700 1 . TYR 23 23 4700 1 . THR 24 24 4700 1 . THR 25 25 4700 1 . ASN 26 26 4700 1 . LYS 27 27 4700 1 . PHE 28 28 4700 1 . PRO 29 29 4700 1 . SER 30 30 4700 1 . GLU 31 31 4700 1 . TYR 32 32 4700 1 . VAL 33 33 4700 1 . PRO 34 34 4700 1 . THR 35 35 4700 1 . VAL 36 36 4700 1 . PHE 37 37 4700 1 . ASP 38 38 4700 1 . ASN 39 39 4700 1 . TYR 40 40 4700 1 . ALA 41 41 4700 1 . VAL 42 42 4700 1 . THR 43 43 4700 1 . VAL 44 44 4700 1 . MET 45 45 4700 1 . ILE 46 46 4700 1 . GLY 47 47 4700 1 . GLY 48 48 4700 1 . GLU 49 49 4700 1 . PRO 50 50 4700 1 . TYR 51 51 4700 1 . THR 52 52 4700 1 . LEU 53 53 4700 1 . GLY 54 54 4700 1 . LEU 55 55 4700 1 . PHE 56 56 4700 1 . ASP 57 57 4700 1 . THR 58 58 4700 1 . ALA 59 59 4700 1 . GLY 60 60 4700 1 . LEU 61 61 4700 1 . GLU 62 62 4700 1 . ASP 63 63 4700 1 . TYR 64 64 4700 1 . ASP 65 65 4700 1 . ARG 66 66 4700 1 . LEU 67 67 4700 1 . ARG 68 68 4700 1 . PRO 69 69 4700 1 . LEU 70 70 4700 1 . SER 71 71 4700 1 . TYR 72 72 4700 1 . PRO 73 73 4700 1 . GLN 74 74 4700 1 . THR 75 75 4700 1 . ASP 76 76 4700 1 . VAL 77 77 4700 1 . PHE 78 78 4700 1 . LEU 79 79 4700 1 . VAL 80 80 4700 1 . CYS 81 81 4700 1 . PHE 82 82 4700 1 . SER 83 83 4700 1 . VAL 84 84 4700 1 . VAL 85 85 4700 1 . SER 86 86 4700 1 . PRO 87 87 4700 1 . SER 88 88 4700 1 . SER 89 89 4700 1 . PHE 90 90 4700 1 . GLU 91 91 4700 1 . ASN 92 92 4700 1 . VAL 93 93 4700 1 . LYS 94 94 4700 1 . GLU 95 95 4700 1 . LYS 96 96 4700 1 . TRP 97 97 4700 1 . VAL 98 98 4700 1 . PRO 99 99 4700 1 . GLU 100 100 4700 1 . ILE 101 101 4700 1 . THR 102 102 4700 1 . HIS 103 103 4700 1 . HIS 104 104 4700 1 . CYS 105 105 4700 1 . PRO 106 106 4700 1 . LYS 107 107 4700 1 . THR 108 108 4700 1 . PRO 109 109 4700 1 . PHE 110 110 4700 1 . LEU 111 111 4700 1 . LEU 112 112 4700 1 . VAL 113 113 4700 1 . GLY 114 114 4700 1 . THR 115 115 4700 1 . GLN 116 116 4700 1 . ILE 117 117 4700 1 . ASP 118 118 4700 1 . LEU 119 119 4700 1 . ARG 120 120 4700 1 . ASP 121 121 4700 1 . ASP 122 122 4700 1 . PRO 123 123 4700 1 . SER 124 124 4700 1 . THR 125 125 4700 1 . ILE 126 126 4700 1 . GLU 127 127 4700 1 . LYS 128 128 4700 1 . LEU 129 129 4700 1 . ALA 130 130 4700 1 . LYS 131 131 4700 1 . ASN 132 132 4700 1 . LYS 133 133 4700 1 . GLN 134 134 4700 1 . LYS 135 135 4700 1 . PRO 136 136 4700 1 . ILE 137 137 4700 1 . THR 138 138 4700 1 . PRO 139 139 4700 1 . GLU 140 140 4700 1 . THR 141 141 4700 1 . ALA 142 142 4700 1 . GLU 143 143 4700 1 . LYS 144 144 4700 1 . LEU 145 145 4700 1 . ALA 146 146 4700 1 . ARG 147 147 4700 1 . ASP 148 148 4700 1 . LEU 149 149 4700 1 . LYS 150 150 4700 1 . ALA 151 151 4700 1 . VAL 152 152 4700 1 . LYS 153 153 4700 1 . TYR 154 154 4700 1 . VAL 155 155 4700 1 . GLU 156 156 4700 1 . CYS 157 157 4700 1 . SER 158 158 4700 1 . ALA 159 159 4700 1 . LEU 160 160 4700 1 . THR 161 161 4700 1 . GLN 162 162 4700 1 . LYS 163 163 4700 1 . GLY 164 164 4700 1 . LEU 165 165 4700 1 . LYS 166 166 4700 1 . ASN 167 167 4700 1 . VAL 168 168 4700 1 . PHE 169 169 4700 1 . ASP 170 170 4700 1 . GLU 171 171 4700 1 . ALA 172 172 4700 1 . ILE 173 173 4700 1 . LEU 174 174 4700 1 . ALA 175 175 4700 1 . ALA 176 176 4700 1 . LEU 177 177 4700 1 . GLU 178 178 4700 1 . PRO 179 179 4700 1 . PRO 180 180 4700 1 . GLU 181 181 4700 1 . PRO 182 182 4700 1 . LYS 183 183 4700 1 . LYS 184 184 4700 1 . GNP 185 185 4700 1 stop_ save_ save_PAK _Entity.Sf_category entity _Entity.Sf_framecode PAK _Entity.Entry_ID 4700 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'p21 activated kinase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSISLPSDFEHTIHVGFDAV TGEFTGMPEQWARLLQTSNI TKSEQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5127.64 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-03-24 _Entity.DB_query_revised_last_date 2008-03-03 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 . . SWISS-PROT Q13153 . 'PAK1_HUMAN Serine/threonine-protein kinasePAK 1 (p21-activated kinase 1) (PAK-1) (p65-PAK)(Alpha-PAK)' . . . . . 8.44 545 100 100 3e-18 . . . . 4700 2 . . SWISS-PROT O88643 . 'PAK1_MOUSE Serine/threonine-protein kinase PAK1 (p21-activated kinase 1) (PAK-1) (p65-PAK) (Alpha-PAK)(CDC42/RAC effecto' . . . . . 8.44 545 100 100 3e-18 . . . . 4700 2 . . SWISS-PROT Q08E52 . 'PAK1_BOVIN Serine/threonine-protein kinasePAK 1 (p21-activated kinase 1) (PAK-1) (p65-PAK)(Alpha-PAK)' . . . . . 8.46 544 100 100 3e-18 . . . . 4700 2 . . SWISS-PROT P35465 . 'PAK1_RAT Serine/threonine-protein kinase PAK 1(p21-activated kinase 1) (PAK-1) (p68-PAK) (Alpha-PAK)(Protein kinase MUK2' . . . . . 8.46 544 100 100 3e-18 . . . . 4700 2 . . REF XP_001363384.1 . 'PREDICTED: similar to p21(CDKN1A)-activated kinase 1 isoform 2 [Monodelphisdomestica]' . . . . . 8.36 550 100 100 3e-18 . . . . 4700 2 . . REF XP_001363301.1 . 'PREDICTED: similar to p21(CDKN1A)-activated kinase 1 isoform 1 [Monodelphisdomestica]' . . . . . 8.44 545 100 100 3e-18 . . . . 4700 2 . . REF NP_035165.2 . 'p21 (CDKN1A)-activated kinase 1 [Musmusculus]' . . . . . 8.46 544 100 100 3e-18 . . . . 4700 2 . . REF NP_001070366.1 . 'p21/Cdc42/Rac1-activated kinase 1(STE20 homolog, yeast) [Bos taurus]' . . . . . 8.46 544 100 100 3e-18 . . . . 4700 2 . . REF XP_508657.2 . 'PREDICTED: p21-activated kinase 1[Pan troglodytes]' . . . . . 8.58 536 100 100 3e-18 . . . . 4700 2 . . PRF 2003404A . 'Ser/Thr protein kinase' . . . . . 8.46 544 98 98 10e-18 . . . . 4700 2 . . GenBank ACA13260.1 . 'dsRed1/Pak1/Rac1/ECFP fusion protein[synthetic construct]' . . . . . 5.94 775 100 100 3e-18 . . . . 4700 2 . . GenBank ACA13261.1 . 'dsRed1/Pak1/Cdc42/ECFP fusion protein[synthetic construct]' . . . . . 6.10 754 100 100 3e-18 . . . . 4700 2 . . GenBank EAW75028.1 . 'p21/Cdc42/Rac1-activated kinase 1(STE20 homolog, yeast), isoform CRA_b [Homo sapiens]' . . . . . 8.32 553 100 100 3e-18 . . . . 4700 2 . . GenBank EDL16325.1 . 'p21 (CDKN1A)-activated kinase 1,isoform CRA_c [Mus musculus]' . . . . . 8.66 531 100 100 3e-18 . . . . 4700 2 . . GenBank EDM18463.1 . 'p21 (CDKN1A)-activated kinase 1,isoform CRA_b [Rattus norvegicus]' . . . . . 9.43 488 100 100 3e-18 . . . . 4700 2 . . EMBL CAF91245.1 . 'unnamed protein product [Tetraodonnigroviridis]' . . . . . 7.99 576 98 98 2e-17 . . . . 4700 2 . . EMBL CAN87991.1 . 'novel protein similar to p21(CDKN1A)-activated kinase 2 (pak2, wu:fc52b03) [Daniorerio]' . . . . . 8.57 537 98 98 2e-17 . . . . 4700 2 . . EMBL CAN87992.1 . 'novel protein similar to p21(CDKN1A)-activated kinase 2 (pak2, wu:fc52b03) [Daniorerio]' . . . . . 18.11 254 98 98 2e-17 . . . . 4700 2 . . EMBL CAF94511.1 . 'unnamed protein product [Tetraodonnigroviridis]' . . . . . 47.92 96 100 100 10e-06 . . . . 4700 2 . . DBJ BAC16311.1 . 'Raichu-1011X [synthetic construct]' . . . . . 6.03 763 100 100 3e-18 . . . . 4700 2 . . DBJ BAC16312.1 . 'Raichu-1054X [synthetic construct]' . . . . . 6.04 762 100 100 3e-18 . . . . 4700 2 . . DBJ BAF85787.1 . 'unnamed protein product [Homo sapiens]' . . . . . 8.32 553 100 100 3e-18 . . . . 4700 2 . . PDB 1F3M . 'A Chain A, Crystal Structure Of HumanSerineTHREONINE KINASE PAK1' . . . . . 57.50 80 100 100 3e-18 . . . . 4700 2 . . PDB 1E0A . 'B Chain B, Cdc42 Complexed With The GtpaseBinding Domain Of P21 Activated Kinase' . . . . . 100.00 46 100 100 2e-19 . . . . 4700 2 . . PDB 2QME . 'I Chain I, Crystal Structure Of Human Rac3In Complex With Crib Domain Of Human P21-ActivatedKinase 1 (Pak1)' . . . . . 127.78 36 100 100 3e-13 . . . . 4700 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'p21 activated kinase' common 4700 2 PAK abbreviation 4700 2 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 1073 GLY . 4700 2 2 1074 SER . 4700 2 3 1075 ILE . 4700 2 4 1076 SER . 4700 2 5 1077 LEU . 4700 2 6 1078 PRO . 4700 2 7 1079 SER . 4700 2 8 1080 ASP . 4700 2 9 1081 PHE . 4700 2 10 1082 GLU . 4700 2 11 1083 HIS . 4700 2 12 1084 THR . 4700 2 13 1085 ILE . 4700 2 14 1086 HIS . 4700 2 15 1087 VAL . 4700 2 16 1088 GLY . 4700 2 17 1089 PHE . 4700 2 18 1090 ASP . 4700 2 19 1091 ALA . 4700 2 20 1092 VAL . 4700 2 21 1093 THR . 4700 2 22 1094 GLY . 4700 2 23 1095 GLU . 4700 2 24 1096 PHE . 4700 2 25 1097 THR . 4700 2 26 1198 GLY . 4700 2 27 1099 MET . 4700 2 28 1100 PRO . 4700 2 29 1101 GLU . 4700 2 30 1102 GLN . 4700 2 31 1103 TRP . 4700 2 32 1104 ALA . 4700 2 33 1105 ARG . 4700 2 34 1106 LEU . 4700 2 35 1107 LEU . 4700 2 36 1108 GLN . 4700 2 37 1109 THR . 4700 2 38 1110 SER . 4700 2 39 1111 ASN . 4700 2 40 1112 ILE . 4700 2 41 1113 THR . 4700 2 42 1114 LYS . 4700 2 43 1115 SER . 4700 2 44 1116 GLU . 4700 2 45 1117 GLN . 4700 2 46 1118 LYS . 4700 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4700 2 . SER 2 2 4700 2 . ILE 3 3 4700 2 . SER 4 4 4700 2 . LEU 5 5 4700 2 . PRO 6 6 4700 2 . SER 7 7 4700 2 . ASP 8 8 4700 2 . PHE 9 9 4700 2 . GLU 10 10 4700 2 . HIS 11 11 4700 2 . THR 12 12 4700 2 . ILE 13 13 4700 2 . HIS 14 14 4700 2 . VAL 15 15 4700 2 . GLY 16 16 4700 2 . PHE 17 17 4700 2 . ASP 18 18 4700 2 . ALA 19 19 4700 2 . VAL 20 20 4700 2 . THR 21 21 4700 2 . GLY 22 22 4700 2 . GLU 23 23 4700 2 . PHE 24 24 4700 2 . THR 25 25 4700 2 . GLY 26 26 4700 2 . MET 27 27 4700 2 . PRO 28 28 4700 2 . GLU 29 29 4700 2 . GLN 30 30 4700 2 . TRP 31 31 4700 2 . ALA 32 32 4700 2 . ARG 33 33 4700 2 . LEU 34 34 4700 2 . LEU 35 35 4700 2 . GLN 36 36 4700 2 . THR 37 37 4700 2 . SER 38 38 4700 2 . ASN 39 39 4700 2 . ILE 40 40 4700 2 . THR 41 41 4700 2 . LYS 42 42 4700 2 . SER 43 43 4700 2 . GLU 44 44 4700 2 . GLN 45 45 4700 2 . LYS 46 46 4700 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 4700 _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 $Cdc42 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . cytoplasm . . . . . . . . 4700 1 2 2 $PAK . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4700 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 4700 _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 $Cdc42 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4700 1 2 2 $PAK . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4700 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 4700 _Chem_comp.ID GNP _Chem_comp.Provenance . _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _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 1CTQ _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 Aug 26 12:50:33 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 O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 4700 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 4700 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 4700 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4700 GNP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 4700 GNP InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 4700 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 4700 GNP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 4700 GNP '[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4700 GNP 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 PG . PG . . P . . N 0 . . . . no no . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 4700 GNP O1G . O1G . . O . . N 0 . . . . no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 4700 GNP O2G . O2G . . O . . N 0 . . . . no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 4700 GNP O3G . O3G . . O . . N 0 . . . . no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 4700 GNP N3B . N3B . . N . . N 0 . . . . no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 4700 GNP PB . PB . . P . . R 0 . . . . no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 4700 GNP O1B . O1B . . O . . N 0 . . . . no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 4700 GNP O2B . O2B . . O . . N 0 . . . . no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 4700 GNP O3A . O3A . . O . . N 0 . . . . no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 4700 GNP PA . PA . . P . . S 0 . . . . no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 4700 GNP O1A . O1A . . O . . N 0 . . . . no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 4700 GNP O2A . O2A . . O . . N 0 . . . . no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 4700 GNP O5' . O5' . . O . . N 0 . . . . no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 4700 GNP C5' . C5' . . C . . N 0 . . . . no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 4700 GNP C4' . C4' . . C . . R 0 . . . . no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 4700 GNP O4' . O4' . . O . . N 0 . . . . no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 4700 GNP C3' . C3' . . C . . S 0 . . . . no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 4700 GNP O3' . O3' . . O . . N 0 . . . . no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 4700 GNP C2' . C2' . . C . . R 0 . . . . no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 4700 GNP O2' . O2' . . O . . N 0 . . . . no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 4700 GNP C1' . C1' . . C . . R 0 . . . . no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 4700 GNP N9 . N9 . . N . . N 0 . . . . yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 4700 GNP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 4700 GNP N7 . N7 . . N . . N 0 . . . . yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 4700 GNP C5 . C5 . . C . . N 0 . . . . yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 4700 GNP C6 . C6 . . C . . N 0 . . . . yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 4700 GNP O6 . O6 . . O . . N 0 . . . . no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 4700 GNP N1 . N1 . . N . . N 0 . . . . yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 4700 GNP C2 . C2 . . C . . N 0 . . . . yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 4700 GNP N2 . N2 . . N . . N 0 . . . . no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 4700 GNP N3 . N3 . . N . . N 0 . . . . yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 4700 GNP C4 . C4 . . C . . N 0 . . . . yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 4700 GNP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 4700 GNP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 4700 GNP HNB3 . HNB3 . . H . . N 0 . . . . no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 4700 GNP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 4700 GNP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 4700 GNP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 4700 GNP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 4700 GNP H4' . H4' . . H . . N 0 . . . . no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 4700 GNP H3' . H3' . . H . . N 0 . . . . no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 4700 GNP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 4700 GNP H2' . H2' . . H . . N 0 . . . . no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 4700 GNP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 4700 GNP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 4700 GNP H8 . H8 . . H . . N 0 . . . . no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 4700 GNP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 4700 GNP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 4700 GNP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 4700 GNP 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 PG O1G no N 1 . 4700 GNP 2 . SING PG O2G no N 2 . 4700 GNP 3 . SING PG O3G no N 3 . 4700 GNP 4 . SING PG N3B no N 4 . 4700 GNP 5 . SING O2G HOG2 no N 5 . 4700 GNP 6 . SING O3G HOG3 no N 6 . 4700 GNP 7 . SING N3B PB no N 7 . 4700 GNP 8 . SING N3B HNB3 no N 8 . 4700 GNP 9 . DOUB PB O1B no N 9 . 4700 GNP 10 . SING PB O2B no N 10 . 4700 GNP 11 . SING PB O3A no N 11 . 4700 GNP 12 . SING O2B HOB2 no N 12 . 4700 GNP 13 . SING O3A PA no N 13 . 4700 GNP 14 . DOUB PA O1A no N 14 . 4700 GNP 15 . SING PA O2A no N 15 . 4700 GNP 16 . SING PA O5' no N 16 . 4700 GNP 17 . SING O2A HOA2 no N 17 . 4700 GNP 18 . SING O5' C5' no N 18 . 4700 GNP 19 . SING C5' C4' no N 19 . 4700 GNP 20 . SING C5' H5'2 no N 20 . 4700 GNP 21 . SING C5' H5'1 no N 21 . 4700 GNP 22 . SING C4' O4' no N 22 . 4700 GNP 23 . SING C4' C3' no N 23 . 4700 GNP 24 . SING C4' H4' no N 24 . 4700 GNP 25 . SING O4' C1' no N 25 . 4700 GNP 26 . SING C3' O3' no N 26 . 4700 GNP 27 . SING C3' C2' no N 27 . 4700 GNP 28 . SING C3' H3' no N 28 . 4700 GNP 29 . SING O3' HO3' no N 29 . 4700 GNP 30 . SING C2' O2' no N 30 . 4700 GNP 31 . SING C2' C1' no N 31 . 4700 GNP 32 . SING C2' H2' no N 32 . 4700 GNP 33 . SING O2' HO2' no N 33 . 4700 GNP 34 . SING C1' N9 no N 34 . 4700 GNP 35 . SING C1' H1' no N 35 . 4700 GNP 36 . SING N9 C8 yes N 36 . 4700 GNP 37 . SING N9 C4 yes N 37 . 4700 GNP 38 . DOUB C8 N7 yes N 38 . 4700 GNP 39 . SING C8 H8 no N 39 . 4700 GNP 40 . SING N7 C5 yes N 40 . 4700 GNP 41 . SING C5 C6 yes N 41 . 4700 GNP 42 . DOUB C5 C4 yes N 42 . 4700 GNP 43 . DOUB C6 O6 no N 43 . 4700 GNP 44 . SING C6 N1 yes N 44 . 4700 GNP 45 . SING N1 C2 yes N 45 . 4700 GNP 46 . SING N1 HN1 no N 46 . 4700 GNP 47 . SING C2 N2 no N 47 . 4700 GNP 48 . DOUB C2 N3 yes N 48 . 4700 GNP 49 . SING N2 HN21 no N 49 . 4700 GNP 50 . SING N2 HN22 no N 50 . 4700 GNP 51 . SING N3 C4 yes N 51 . 4700 GNP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4700 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Cdc42 '[U-13C; U-15N]' . . 1 $Cdc42 . . . 0.7 1.0 mM . . . . 4700 1 2 'p21 activated kinase' '[U-13C; U-15N]' . . 2 $PAK . . . 0.7 1.0 mM . . . . 4700 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4700 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.1 pH 4700 1 temperature 298 1 K 4700 1 'ionic strength' 55 . mM 4700 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 4700 _Software.ID 1 _Software.Name AZARA _Software.Version 3.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'DATA PROCESSING' 4700 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 4700 _Software.ID 2 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID ASSIGNMENT 4700 2 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 4700 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4700 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 4700 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 4700 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4700 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 4700 1 2 spectrometer_2 Bruker DRX . 600 . . . 4700 1 3 spectrometer_3 Bruker DRX . 500 . . . 4700 1 4 spectrometer_4 Bruker DRX . 800 . . . 4700 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 4700 _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 '15N-edited NOESy' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 2 '13C-edited NOEsy' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 3 HCCH-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 4 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 5 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 6 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 7 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 8 HBHA(CBCACO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 9 '13C/15N-Xfiltered NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 4700 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4700 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 4700 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4700 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4700 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4700 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; 2 sets of signals were observed for the C-terminal residues, probably due to cis-trans isomerization of the C-terminal prolines ; _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 $sample_1 . 4700 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.83 0.00 . 1 . . . . . . . . 4700 1 2 . 1 1 1 1 MET HA H 1 4.419 0.002 . 1 . . . . . . . . 4700 1 3 . 1 1 1 1 MET CB C 13 33.14 0.00 . 1 . . . . . . . . 4700 1 4 . 1 1 1 1 MET CG C 13 31.59 0.00 . 1 . . . . . . . . 4700 1 5 . 1 1 1 1 MET CE C 13 16.75 0.06 . 1 . . . . . . . . 4700 1 6 . 1 1 1 1 MET HE1 H 1 2.089 0.009 . 1 . . . . . . . . 4700 1 7 . 1 1 1 1 MET HE2 H 1 2.089 0.009 . 1 . . . . . . . . 4700 1 8 . 1 1 1 1 MET HE3 H 1 2.089 0.009 . 1 . . . . . . . . 4700 1 9 . 1 1 1 1 MET HB2 H 1 2.044 0.009 . 1 . . . . . . . . 4700 1 10 . 1 1 1 1 MET HB3 H 1 2.044 0.009 . 1 . . . . . . . . 4700 1 11 . 1 1 1 1 MET HG2 H 1 2.539 0.006 . 1 . . . . . . . . 4700 1 12 . 1 1 1 1 MET HG3 H 1 2.539 0.006 . 1 . . . . . . . . 4700 1 13 . 1 1 2 2 GLN CA C 13 56.00 0.09 . 1 . . . . . . . . 4700 1 14 . 1 1 2 2 GLN HA H 1 4.342 0.017 . 1 . . . . . . . . 4700 1 15 . 1 1 2 2 GLN CB C 13 29.18 0.00 . 1 . . . . . . . . 4700 1 16 . 1 1 2 2 GLN CG C 13 34.14 0.00 . 1 . . . . . . . . 4700 1 17 . 1 1 2 2 GLN NE2 N 15 110.55 0.02 . 1 . . . . . . . . 4700 1 18 . 1 1 2 2 GLN HE21 H 1 6.870 0.004 . 2 . . . . . . . . 4700 1 19 . 1 1 2 2 GLN HE22 H 1 7.522 0.006 . 2 . . . . . . . . 4700 1 20 . 1 1 2 2 GLN HB2 H 1 1.793 0.005 . 1 . . . . . . . . 4700 1 21 . 1 1 2 2 GLN HB3 H 1 1.793 0.005 . 1 . . . . . . . . 4700 1 22 . 1 1 2 2 GLN HG2 H 1 2.212 0.016 . 1 . . . . . . . . 4700 1 23 . 1 1 2 2 GLN HG3 H 1 2.212 0.016 . 1 . . . . . . . . 4700 1 24 . 1 1 3 3 THR N N 15 114.56 0.04 . 1 . . . . . . . . 4700 1 25 . 1 1 3 3 THR H H 1 8.308 0.010 . 1 . . . . . . . . 4700 1 26 . 1 1 3 3 THR CA C 13 60.60 0.11 . 1 . . . . . . . . 4700 1 27 . 1 1 3 3 THR HA H 1 5.559 0.007 . 1 . . . . . . . . 4700 1 28 . 1 1 3 3 THR CB C 13 71.45 0.07 . 1 . . . . . . . . 4700 1 29 . 1 1 3 3 THR HB H 1 4.156 0.008 . 1 . . . . . . . . 4700 1 30 . 1 1 3 3 THR CG2 C 13 20.93 0.04 . 1 . . . . . . . . 4700 1 31 . 1 1 3 3 THR HG21 H 1 1.218 0.008 . 1 . . . . . . . . 4700 1 32 . 1 1 3 3 THR HG22 H 1 1.218 0.008 . 1 . . . . . . . . 4700 1 33 . 1 1 3 3 THR HG23 H 1 1.218 0.008 . 1 . . . . . . . . 4700 1 34 . 1 1 4 4 ILE N N 15 124.18 0.01 . 1 . . . . . . . . 4700 1 35 . 1 1 4 4 ILE H H 1 9.014 0.009 . 1 . . . . . . . . 4700 1 36 . 1 1 4 4 ILE CA C 13 60.27 0.07 . 1 . . . . . . . . 4700 1 37 . 1 1 4 4 ILE HA H 1 4.454 0.005 . 1 . . . . . . . . 4700 1 38 . 1 1 4 4 ILE HB H 1 1.752 0.006 . 1 . . . . . . . . 4700 1 39 . 1 1 4 4 ILE CG1 C 13 27.37 0.05 . 1 . . . . . . . . 4700 1 40 . 1 1 4 4 ILE HG12 H 1 1.051 0.017 . 2 . . . . . . . . 4700 1 41 . 1 1 4 4 ILE HG13 H 1 1.701 0.017 . 2 . . . . . . . . 4700 1 42 . 1 1 4 4 ILE CG2 C 13 17.39 0.03 . 1 . . . . . . . . 4700 1 43 . 1 1 4 4 ILE HG21 H 1 0.731 0.006 . 1 . . . . . . . . 4700 1 44 . 1 1 4 4 ILE HG22 H 1 0.731 0.006 . 1 . . . . . . . . 4700 1 45 . 1 1 4 4 ILE HG23 H 1 0.731 0.006 . 1 . . . . . . . . 4700 1 46 . 1 1 4 4 ILE CD1 C 13 14.84 0.04 . 1 . . . . . . . . 4700 1 47 . 1 1 4 4 ILE HD11 H 1 0.701 0.018 . 1 . . . . . . . . 4700 1 48 . 1 1 4 4 ILE HD12 H 1 0.701 0.018 . 1 . . . . . . . . 4700 1 49 . 1 1 4 4 ILE HD13 H 1 0.701 0.018 . 1 . . . . . . . . 4700 1 50 . 1 1 5 5 LYS N N 15 129.97 0.06 . 1 . . . . . . . . 4700 1 51 . 1 1 5 5 LYS H H 1 10.734 0.008 . 1 . . . . . . . . 4700 1 52 . 1 1 5 5 LYS CA C 13 55.83 0.09 . 1 . . . . . . . . 4700 1 53 . 1 1 5 5 LYS HA H 1 5.072 0.007 . 1 . . . . . . . . 4700 1 54 . 1 1 6 6 CYS N N 15 129.98 0.04 . 1 . . . . . . . . 4700 1 55 . 1 1 6 6 CYS H H 1 9.531 0.007 . 1 . . . . . . . . 4700 1 56 . 1 1 6 6 CYS CA C 13 55.97 0.04 . 1 . . . . . . . . 4700 1 57 . 1 1 6 6 CYS HA H 1 5.711 0.012 . 1 . . . . . . . . 4700 1 58 . 1 1 6 6 CYS CB C 13 29.18 0.00 . 1 . . . . . . . . 4700 1 59 . 1 1 6 6 CYS HB2 H 1 3.075 0.000 . 1 . . . . . . . . 4700 1 60 . 1 1 6 6 CYS HB3 H 1 3.075 0.000 . 1 . . . . . . . . 4700 1 61 . 1 1 7 7 VAL N N 15 128.74 0.09 . 1 . . . . . . . . 4700 1 62 . 1 1 7 7 VAL H H 1 7.993 0.006 . 1 . . . . . . . . 4700 1 63 . 1 1 7 7 VAL CA C 13 60.98 0.07 . 1 . . . . . . . . 4700 1 64 . 1 1 7 7 VAL HA H 1 5.092 0.010 . 1 . . . . . . . . 4700 1 65 . 1 1 7 7 VAL CB C 13 33.31 0.04 . 1 . . . . . . . . 4700 1 66 . 1 1 7 7 VAL HB H 1 1.835 0.016 . 1 . . . . . . . . 4700 1 67 . 1 1 7 7 VAL CG1 C 13 22.62 0.00 . 2 . . . . . . . . 4700 1 68 . 1 1 7 7 VAL HG11 H 1 0.840 0.017 . 2 . . . . . . . . 4700 1 69 . 1 1 7 7 VAL HG12 H 1 0.840 0.017 . 2 . . . . . . . . 4700 1 70 . 1 1 7 7 VAL HG13 H 1 0.840 0.017 . 2 . . . . . . . . 4700 1 71 . 1 1 7 7 VAL CG2 C 13 22.07 0.03 . 2 . . . . . . . . 4700 1 72 . 1 1 7 7 VAL HG21 H 1 1.307 0.011 . 2 . . . . . . . . 4700 1 73 . 1 1 7 7 VAL HG22 H 1 1.307 0.011 . 2 . . . . . . . . 4700 1 74 . 1 1 7 7 VAL HG23 H 1 1.307 0.011 . 2 . . . . . . . . 4700 1 75 . 1 1 8 8 VAL N N 15 126.04 0.03 . 1 . . . . . . . . 4700 1 76 . 1 1 8 8 VAL H H 1 8.630 0.005 . 1 . . . . . . . . 4700 1 77 . 1 1 8 8 VAL CA C 13 61.13 0.09 . 1 . . . . . . . . 4700 1 78 . 1 1 8 8 VAL HA H 1 5.186 0.012 . 1 . . . . . . . . 4700 1 79 . 1 1 8 8 VAL CB C 13 33.20 0.07 . 1 . . . . . . . . 4700 1 80 . 1 1 8 8 VAL HB H 1 2.351 0.010 . 1 . . . . . . . . 4700 1 81 . 1 1 8 8 VAL CG1 C 13 22.73 0.06 . 2 . . . . . . . . 4700 1 82 . 1 1 8 8 VAL HG11 H 1 1.038 0.013 . 2 . . . . . . . . 4700 1 83 . 1 1 8 8 VAL HG12 H 1 1.038 0.013 . 2 . . . . . . . . 4700 1 84 . 1 1 8 8 VAL HG13 H 1 1.038 0.013 . 2 . . . . . . . . 4700 1 85 . 1 1 8 8 VAL CG2 C 13 22.48 0.02 . 2 . . . . . . . . 4700 1 86 . 1 1 8 8 VAL HG21 H 1 1.178 0.005 . 2 . . . . . . . . 4700 1 87 . 1 1 8 8 VAL HG22 H 1 1.178 0.005 . 2 . . . . . . . . 4700 1 88 . 1 1 8 8 VAL HG23 H 1 1.178 0.005 . 2 . . . . . . . . 4700 1 89 . 1 1 9 9 VAL N N 15 117.24 0.05 . 1 . . . . . . . . 4700 1 90 . 1 1 9 9 VAL H H 1 9.011 0.003 . 1 . . . . . . . . 4700 1 91 . 1 1 9 9 VAL CA C 13 58.37 0.05 . 1 . . . . . . . . 4700 1 92 . 1 1 9 9 VAL HA H 1 4.608 0.002 . 1 . . . . . . . . 4700 1 93 . 1 1 9 9 VAL HB H 1 2.022 0.006 . 1 . . . . . . . . 4700 1 94 . 1 1 9 9 VAL CG1 C 13 19.90 0.04 . 2 . . . . . . . . 4700 1 95 . 1 1 9 9 VAL HG11 H 1 0.776 0.008 . 2 . . . . . . . . 4700 1 96 . 1 1 9 9 VAL HG12 H 1 0.776 0.008 . 2 . . . . . . . . 4700 1 97 . 1 1 9 9 VAL HG13 H 1 0.776 0.008 . 2 . . . . . . . . 4700 1 98 . 1 1 9 9 VAL CG2 C 13 21.12 0.01 . 2 . . . . . . . . 4700 1 99 . 1 1 9 9 VAL HG21 H 1 1.199 0.010 . 2 . . . . . . . . 4700 1 100 . 1 1 9 9 VAL HG22 H 1 1.199 0.010 . 2 . . . . . . . . 4700 1 101 . 1 1 9 9 VAL HG23 H 1 1.199 0.010 . 2 . . . . . . . . 4700 1 102 . 1 1 10 10 GLY N N 15 106.55 0.03 . 1 . . . . . . . . 4700 1 103 . 1 1 10 10 GLY H H 1 6.922 0.004 . 1 . . . . . . . . 4700 1 104 . 1 1 10 10 GLY CA C 13 43.14 0.04 . 1 . . . . . . . . 4700 1 105 . 1 1 10 10 GLY HA3 H 1 1.706 0.018 . 2 . . . . . . . . 4700 1 106 . 1 1 10 10 GLY HA2 H 1 4.100 0.005 . 2 . . . . . . . . 4700 1 107 . 1 1 11 11 ASP N N 15 116.92 0.07 . 1 . . . . . . . . 4700 1 108 . 1 1 11 11 ASP H H 1 8.361 0.009 . 1 . . . . . . . . 4700 1 109 . 1 1 11 11 ASP CA C 13 55.96 0.02 . 1 . . . . . . . . 4700 1 110 . 1 1 11 11 ASP HA H 1 4.855 0.012 . 1 . . . . . . . . 4700 1 111 . 1 1 11 11 ASP HB2 H 1 2.845 0.008 . 1 . . . . . . . . 4700 1 112 . 1 1 11 11 ASP HB3 H 1 2.845 0.008 . 1 . . . . . . . . 4700 1 113 . 1 1 12 12 GLY N N 15 104.01 0.08 . 1 . . . . . . . . 4700 1 114 . 1 1 12 12 GLY H H 1 8.711 0.003 . 1 . . . . . . . . 4700 1 115 . 1 1 12 12 GLY CA C 13 46.57 0.01 . 1 . . . . . . . . 4700 1 116 . 1 1 12 12 GLY HA2 H 1 3.587 0.009 . 1 . . . . . . . . 4700 1 117 . 1 1 12 12 GLY HA3 H 1 3.587 0.009 . 1 . . . . . . . . 4700 1 118 . 1 1 13 13 ALA N N 15 121.71 0.05 . 1 . . . . . . . . 4700 1 119 . 1 1 13 13 ALA H H 1 9.406 0.003 . 1 . . . . . . . . 4700 1 120 . 1 1 13 13 ALA CA C 13 52.83 0.04 . 1 . . . . . . . . 4700 1 121 . 1 1 13 13 ALA HA H 1 3.617 0.011 . 1 . . . . . . . . 4700 1 122 . 1 1 13 13 ALA CB C 13 16.31 0.02 . 1 . . . . . . . . 4700 1 123 . 1 1 13 13 ALA HB1 H 1 1.344 0.007 . 1 . . . . . . . . 4700 1 124 . 1 1 13 13 ALA HB2 H 1 1.344 0.007 . 1 . . . . . . . . 4700 1 125 . 1 1 13 13 ALA HB3 H 1 1.344 0.007 . 1 . . . . . . . . 4700 1 126 . 1 1 14 14 VAL CA C 13 63.37 0.00 . 1 . . . . . . . . 4700 1 127 . 1 1 15 15 GLY N N 15 108.42 0.02 . 1 . . . . . . . . 4700 1 128 . 1 1 15 15 GLY H H 1 8.647 0.019 . 1 . . . . . . . . 4700 1 129 . 1 1 15 15 GLY CA C 13 44.87 0.05 . 1 . . . . . . . . 4700 1 130 . 1 1 16 16 LYS N N 15 124.70 0.03 . 1 . . . . . . . . 4700 1 131 . 1 1 16 16 LYS H H 1 9.435 0.012 . 1 . . . . . . . . 4700 1 132 . 1 1 16 16 LYS CA C 13 60.69 0.03 . 1 . . . . . . . . 4700 1 133 . 1 1 16 16 LYS CB C 13 29.91 0.00 . 1 . . . . . . . . 4700 1 134 . 1 1 17 17 THR N N 15 118.65 0.05 . 1 . . . . . . . . 4700 1 135 . 1 1 17 17 THR H H 1 9.331 0.008 . 1 . . . . . . . . 4700 1 136 . 1 1 17 17 THR CA C 13 66.62 0.06 . 1 . . . . . . . . 4700 1 137 . 1 1 17 17 THR HA H 1 4.213 0.019 . 1 . . . . . . . . 4700 1 138 . 1 1 17 17 THR CB C 13 68.44 0.00 . 1 . . . . . . . . 4700 1 139 . 1 1 17 17 THR HB H 1 4.517 0.003 . 1 . . . . . . . . 4700 1 140 . 1 1 17 17 THR CG2 C 13 21.40 0.07 . 1 . . . . . . . . 4700 1 141 . 1 1 17 17 THR HG21 H 1 1.282 0.006 . 1 . . . . . . . . 4700 1 142 . 1 1 17 17 THR HG22 H 1 1.282 0.006 . 1 . . . . . . . . 4700 1 143 . 1 1 17 17 THR HG23 H 1 1.282 0.006 . 1 . . . . . . . . 4700 1 144 . 1 1 18 18 CYS N N 15 119.30 0.04 . 1 . . . . . . . . 4700 1 145 . 1 1 18 18 CYS H H 1 9.979 0.008 . 1 . . . . . . . . 4700 1 146 . 1 1 18 18 CYS CA C 13 65.52 0.06 . 1 . . . . . . . . 4700 1 147 . 1 1 18 18 CYS CB C 13 27.31 0.00 . 1 . . . . . . . . 4700 1 148 . 1 1 18 18 CYS HB3 H 1 2.140 0.000 . 2 . . . . . . . . 4700 1 149 . 1 1 19 19 LEU N N 15 119.63 0.04 . 1 . . . . . . . . 4700 1 150 . 1 1 19 19 LEU H H 1 8.227 0.009 . 1 . . . . . . . . 4700 1 151 . 1 1 19 19 LEU CA C 13 59.35 0.08 . 1 . . . . . . . . 4700 1 152 . 1 1 19 19 LEU HA H 1 4.038 0.016 . 1 . . . . . . . . 4700 1 153 . 1 1 19 19 LEU CB C 13 41.70 0.04 . 1 . . . . . . . . 4700 1 154 . 1 1 19 19 LEU HB3 H 1 1.778 0.007 . 2 . . . . . . . . 4700 1 155 . 1 1 19 19 LEU HB2 H 1 2.366 0.008 . 2 . . . . . . . . 4700 1 156 . 1 1 19 19 LEU CG C 13 25.92 0.01 . 1 . . . . . . . . 4700 1 157 . 1 1 19 19 LEU HG H 1 2.031 0.013 . 1 . . . . . . . . 4700 1 158 . 1 1 19 19 LEU CD1 C 13 27.09 0.06 . 2 . . . . . . . . 4700 1 159 . 1 1 19 19 LEU HD11 H 1 0.776 0.012 . 2 . . . . . . . . 4700 1 160 . 1 1 19 19 LEU HD12 H 1 0.776 0.012 . 2 . . . . . . . . 4700 1 161 . 1 1 19 19 LEU HD13 H 1 0.776 0.012 . 2 . . . . . . . . 4700 1 162 . 1 1 19 19 LEU CD2 C 13 27.25 0.07 . 2 . . . . . . . . 4700 1 163 . 1 1 19 19 LEU HD21 H 1 0.853 0.009 . 2 . . . . . . . . 4700 1 164 . 1 1 19 19 LEU HD22 H 1 0.853 0.009 . 2 . . . . . . . . 4700 1 165 . 1 1 19 19 LEU HD23 H 1 0.853 0.009 . 2 . . . . . . . . 4700 1 166 . 1 1 20 20 LEU N N 15 116.62 0.04 . 1 . . . . . . . . 4700 1 167 . 1 1 20 20 LEU H H 1 7.703 0.007 . 1 . . . . . . . . 4700 1 168 . 1 1 20 20 LEU CA C 13 57.99 0.02 . 1 . . . . . . . . 4700 1 169 . 1 1 20 20 LEU HA H 1 4.100 0.008 . 1 . . . . . . . . 4700 1 170 . 1 1 20 20 LEU CB C 13 42.94 0.00 . 1 . . . . . . . . 4700 1 171 . 1 1 20 20 LEU CG C 13 26.65 0.00 . 1 . . . . . . . . 4700 1 172 . 1 1 20 20 LEU HG H 1 2.231 0.009 . 1 . . . . . . . . 4700 1 173 . 1 1 20 20 LEU CD1 C 13 25.62 0.01 . 2 . . . . . . . . 4700 1 174 . 1 1 20 20 LEU HD11 H 1 1.117 0.004 . 2 . . . . . . . . 4700 1 175 . 1 1 20 20 LEU HD12 H 1 1.117 0.004 . 2 . . . . . . . . 4700 1 176 . 1 1 20 20 LEU HD13 H 1 1.117 0.004 . 2 . . . . . . . . 4700 1 177 . 1 1 20 20 LEU CD2 C 13 25.42 0.05 . 2 . . . . . . . . 4700 1 178 . 1 1 20 20 LEU HD21 H 1 1.203 0.009 . 2 . . . . . . . . 4700 1 179 . 1 1 20 20 LEU HD22 H 1 1.203 0.009 . 2 . . . . . . . . 4700 1 180 . 1 1 20 20 LEU HD23 H 1 1.203 0.009 . 2 . . . . . . . . 4700 1 181 . 1 1 20 20 LEU HB2 H 1 1.760 0.000 . 1 . . . . . . . . 4700 1 182 . 1 1 20 20 LEU HB3 H 1 1.760 0.000 . 1 . . . . . . . . 4700 1 183 . 1 1 21 21 ILE N N 15 120.97 0.06 . 1 . . . . . . . . 4700 1 184 . 1 1 21 21 ILE H H 1 9.297 0.008 . 1 . . . . . . . . 4700 1 185 . 1 1 21 21 ILE CA C 13 61.16 0.07 . 1 . . . . . . . . 4700 1 186 . 1 1 21 21 ILE HA H 1 3.444 0.016 . 1 . . . . . . . . 4700 1 187 . 1 1 21 21 ILE CB C 13 35.61 0.13 . 1 . . . . . . . . 4700 1 188 . 1 1 21 21 ILE HB H 1 1.735 0.011 . 1 . . . . . . . . 4700 1 189 . 1 1 21 21 ILE CG1 C 13 26.46 0.02 . 1 . . . . . . . . 4700 1 190 . 1 1 21 21 ILE HG13 H 1 1.156 0.017 . 2 . . . . . . . . 4700 1 191 . 1 1 21 21 ILE HG12 H 1 1.509 0.011 . 2 . . . . . . . . 4700 1 192 . 1 1 21 21 ILE CG2 C 13 16.83 0.05 . 1 . . . . . . . . 4700 1 193 . 1 1 21 21 ILE HG21 H 1 0.620 0.007 . 1 . . . . . . . . 4700 1 194 . 1 1 21 21 ILE HG22 H 1 0.620 0.007 . 1 . . . . . . . . 4700 1 195 . 1 1 21 21 ILE HG23 H 1 0.620 0.007 . 1 . . . . . . . . 4700 1 196 . 1 1 21 21 ILE CD1 C 13 6.73 0.03 . 1 . . . . . . . . 4700 1 197 . 1 1 21 21 ILE HD11 H 1 0.060 0.009 . 1 . . . . . . . . 4700 1 198 . 1 1 21 21 ILE HD12 H 1 0.060 0.009 . 1 . . . . . . . . 4700 1 199 . 1 1 21 21 ILE HD13 H 1 0.060 0.009 . 1 . . . . . . . . 4700 1 200 . 1 1 22 22 SER N N 15 118.30 0.02 . 1 . . . . . . . . 4700 1 201 . 1 1 22 22 SER H H 1 8.977 0.005 . 1 . . . . . . . . 4700 1 202 . 1 1 22 22 SER CA C 13 61.33 0.05 . 1 . . . . . . . . 4700 1 203 . 1 1 22 22 SER HA H 1 4.413 0.011 . 1 . . . . . . . . 4700 1 204 . 1 1 22 22 SER CB C 13 64.27 0.10 . 1 . . . . . . . . 4700 1 205 . 1 1 22 22 SER HB2 H 1 4.148 0.006 . 1 . . . . . . . . 4700 1 206 . 1 1 22 22 SER HB3 H 1 4.148 0.006 . 1 . . . . . . . . 4700 1 207 . 1 1 23 23 TYR N N 15 116.94 0.03 . 1 . . . . . . . . 4700 1 208 . 1 1 23 23 TYR H H 1 7.715 0.010 . 1 . . . . . . . . 4700 1 209 . 1 1 23 23 TYR CA C 13 60.09 0.03 . 1 . . . . . . . . 4700 1 210 . 1 1 23 23 TYR HA H 1 4.220 0.010 . 1 . . . . . . . . 4700 1 211 . 1 1 23 23 TYR CB C 13 40.07 0.00 . 1 . . . . . . . . 4700 1 212 . 1 1 23 23 TYR HB3 H 1 2.547 0.000 . 2 . . . . . . . . 4700 1 213 . 1 1 23 23 TYR HB2 H 1 3.074 0.000 . 2 . . . . . . . . 4700 1 214 . 1 1 23 23 TYR HD1 H 1 6.793 0.014 . 1 . . . . . . . . 4700 1 215 . 1 1 23 23 TYR HD2 H 1 6.793 0.014 . 1 . . . . . . . . 4700 1 216 . 1 1 23 23 TYR CE1 C 13 118.42 0.00 . 1 . . . . . . . . 4700 1 217 . 1 1 23 23 TYR CE2 C 13 118.42 0.00 . 1 . . . . . . . . 4700 1 218 . 1 1 23 23 TYR HE1 H 1 6.907 0.000 . 1 . . . . . . . . 4700 1 219 . 1 1 23 23 TYR HE2 H 1 6.907 0.000 . 1 . . . . . . . . 4700 1 220 . 1 1 24 24 THR N N 15 102.13 0.04 . 1 . . . . . . . . 4700 1 221 . 1 1 24 24 THR H H 1 7.647 0.004 . 1 . . . . . . . . 4700 1 222 . 1 1 24 24 THR CA C 13 64.46 0.04 . 1 . . . . . . . . 4700 1 223 . 1 1 24 24 THR HA H 1 3.349 0.021 . 1 . . . . . . . . 4700 1 224 . 1 1 24 24 THR CB C 13 69.27 0.03 . 1 . . . . . . . . 4700 1 225 . 1 1 24 24 THR HB H 1 3.850 0.015 . 1 . . . . . . . . 4700 1 226 . 1 1 24 24 THR CG2 C 13 24.64 0.04 . 1 . . . . . . . . 4700 1 227 . 1 1 24 24 THR HG21 H 1 1.192 0.010 . 1 . . . . . . . . 4700 1 228 . 1 1 24 24 THR HG22 H 1 1.192 0.010 . 1 . . . . . . . . 4700 1 229 . 1 1 24 24 THR HG23 H 1 1.192 0.010 . 1 . . . . . . . . 4700 1 230 . 1 1 25 25 THR N N 15 106.51 0.05 . 1 . . . . . . . . 4700 1 231 . 1 1 25 25 THR H H 1 7.728 0.010 . 1 . . . . . . . . 4700 1 232 . 1 1 25 25 THR CA C 13 61.13 0.07 . 1 . . . . . . . . 4700 1 233 . 1 1 25 25 THR HA H 1 4.459 0.010 . 1 . . . . . . . . 4700 1 234 . 1 1 25 25 THR CB C 13 72.78 0.05 . 1 . . . . . . . . 4700 1 235 . 1 1 25 25 THR HB H 1 3.890 0.015 . 1 . . . . . . . . 4700 1 236 . 1 1 25 25 THR CG2 C 13 19.50 0.05 . 1 . . . . . . . . 4700 1 237 . 1 1 25 25 THR HG21 H 1 0.132 0.013 . 1 . . . . . . . . 4700 1 238 . 1 1 25 25 THR HG22 H 1 0.132 0.013 . 1 . . . . . . . . 4700 1 239 . 1 1 25 25 THR HG23 H 1 0.132 0.013 . 1 . . . . . . . . 4700 1 240 . 1 1 26 26 ASN N N 15 114.83 0.08 . 1 . . . . . . . . 4700 1 241 . 1 1 26 26 ASN H H 1 7.698 0.004 . 1 . . . . . . . . 4700 1 242 . 1 1 26 26 ASN CA C 13 55.15 0.02 . 1 . . . . . . . . 4700 1 243 . 1 1 26 26 ASN HA H 1 4.614 0.011 . 1 . . . . . . . . 4700 1 244 . 1 1 26 26 ASN CB C 13 37.37 0.10 . 1 . . . . . . . . 4700 1 245 . 1 1 26 26 ASN HB3 H 1 2.970 0.016 . 2 . . . . . . . . 4700 1 246 . 1 1 26 26 ASN HB2 H 1 3.103 0.022 . 2 . . . . . . . . 4700 1 247 . 1 1 26 26 ASN ND2 N 15 111.87 0.02 . 1 . . . . . . . . 4700 1 248 . 1 1 26 26 ASN HD21 H 1 6.875 0.009 . 2 . . . . . . . . 4700 1 249 . 1 1 26 26 ASN HD22 H 1 7.428 0.009 . 2 . . . . . . . . 4700 1 250 . 1 1 27 27 LYS N N 15 116.97 0.02 . 1 . . . . . . . . 4700 1 251 . 1 1 27 27 LYS H H 1 7.159 0.009 . 1 . . . . . . . . 4700 1 252 . 1 1 27 27 LYS CA C 13 54.58 0.05 . 1 . . . . . . . . 4700 1 253 . 1 1 27 27 LYS HA H 1 4.467 0.007 . 1 . . . . . . . . 4700 1 254 . 1 1 27 27 LYS CB C 13 34.40 0.04 . 1 . . . . . . . . 4700 1 255 . 1 1 27 27 LYS HB3 H 1 1.331 0.015 . 2 . . . . . . . . 4700 1 256 . 1 1 27 27 LYS HB2 H 1 1.520 0.007 . 2 . . . . . . . . 4700 1 257 . 1 1 27 27 LYS CG C 13 24.36 0.03 . 1 . . . . . . . . 4700 1 258 . 1 1 27 27 LYS CD C 13 28.51 0.01 . 1 . . . . . . . . 4700 1 259 . 1 1 27 27 LYS CE C 13 42.10 0.00 . 1 . . . . . . . . 4700 1 260 . 1 1 27 27 LYS HG2 H 1 1.226 0.012 . 1 . . . . . . . . 4700 1 261 . 1 1 27 27 LYS HG3 H 1 1.226 0.012 . 1 . . . . . . . . 4700 1 262 . 1 1 27 27 LYS HD2 H 1 1.565 0.015 . 1 . . . . . . . . 4700 1 263 . 1 1 27 27 LYS HD3 H 1 1.565 0.015 . 1 . . . . . . . . 4700 1 264 . 1 1 27 27 LYS HE2 H 1 2.913 0.008 . 1 . . . . . . . . 4700 1 265 . 1 1 27 27 LYS HE3 H 1 2.913 0.008 . 1 . . . . . . . . 4700 1 266 . 1 1 28 28 PHE N N 15 119.68 0.02 . 1 . . . . . . . . 4700 1 267 . 1 1 28 28 PHE H H 1 8.207 0.004 . 1 . . . . . . . . 4700 1 268 . 1 1 28 28 PHE CA C 13 54.73 0.00 . 1 . . . . . . . . 4700 1 269 . 1 1 28 28 PHE HA H 1 4.761 0.001 . 1 . . . . . . . . 4700 1 270 . 1 1 28 28 PHE CZ C 13 129.09 0.00 . 1 . . . . . . . . 4700 1 271 . 1 1 28 28 PHE HZ H 1 5.909 0.004 . 1 . . . . . . . . 4700 1 272 . 1 1 28 28 PHE HB2 H 1 2.909 0.003 . 1 . . . . . . . . 4700 1 273 . 1 1 28 28 PHE HB3 H 1 2.909 0.003 . 1 . . . . . . . . 4700 1 274 . 1 1 28 28 PHE CD1 C 13 131.71 0.06 . 1 . . . . . . . . 4700 1 275 . 1 1 28 28 PHE CD2 C 13 131.71 0.06 . 1 . . . . . . . . 4700 1 276 . 1 1 28 28 PHE HD1 H 1 6.865 0.015 . 1 . . . . . . . . 4700 1 277 . 1 1 28 28 PHE HD2 H 1 6.865 0.015 . 1 . . . . . . . . 4700 1 278 . 1 1 28 28 PHE CE1 C 13 130.22 0.08 . 1 . . . . . . . . 4700 1 279 . 1 1 28 28 PHE CE2 C 13 130.22 0.08 . 1 . . . . . . . . 4700 1 280 . 1 1 28 28 PHE HE1 H 1 6.674 0.011 . 1 . . . . . . . . 4700 1 281 . 1 1 28 28 PHE HE2 H 1 6.674 0.011 . 1 . . . . . . . . 4700 1 282 . 1 1 29 29 PRO CA C 13 62.47 0.07 . 1 . . . . . . . . 4700 1 283 . 1 1 29 29 PRO HA H 1 4.276 0.013 . 1 . . . . . . . . 4700 1 284 . 1 1 29 29 PRO CB C 13 30.88 0.07 . 1 . . . . . . . . 4700 1 285 . 1 1 29 29 PRO HB3 H 1 1.802 0.014 . 2 . . . . . . . . 4700 1 286 . 1 1 29 29 PRO HB2 H 1 2.163 0.008 . 2 . . . . . . . . 4700 1 287 . 1 1 30 30 SER N N 15 117.75 0.02 . 1 . . . . . . . . 4700 1 288 . 1 1 30 30 SER H H 1 8.280 0.007 . 1 . . . . . . . . 4700 1 289 . 1 1 30 30 SER CA C 13 59.75 0.04 . 1 . . . . . . . . 4700 1 290 . 1 1 30 30 SER HA H 1 4.144 0.016 . 1 . . . . . . . . 4700 1 291 . 1 1 30 30 SER CB C 13 63.63 0.01 . 1 . . . . . . . . 4700 1 292 . 1 1 30 30 SER HB3 H 1 3.912 0.018 . 2 . . . . . . . . 4700 1 293 . 1 1 30 30 SER HB2 H 1 4.025 0.003 . 2 . . . . . . . . 4700 1 294 . 1 1 31 31 GLU N N 15 119.04 0.05 . 1 . . . . . . . . 4700 1 295 . 1 1 31 31 GLU H H 1 7.781 0.007 . 1 . . . . . . . . 4700 1 296 . 1 1 31 31 GLU CA C 13 54.88 0.04 . 1 . . . . . . . . 4700 1 297 . 1 1 31 31 GLU HA H 1 4.530 0.013 . 1 . . . . . . . . 4700 1 298 . 1 1 31 31 GLU CB C 13 31.23 0.06 . 1 . . . . . . . . 4700 1 299 . 1 1 31 31 GLU HB3 H 1 1.888 0.004 . 2 . . . . . . . . 4700 1 300 . 1 1 31 31 GLU HB2 H 1 1.987 0.012 . 2 . . . . . . . . 4700 1 301 . 1 1 31 31 GLU CG C 13 35.48 0.01 . 1 . . . . . . . . 4700 1 302 . 1 1 31 31 GLU HG2 H 1 2.166 0.004 . 1 . . . . . . . . 4700 1 303 . 1 1 31 31 GLU HG3 H 1 2.166 0.004 . 1 . . . . . . . . 4700 1 304 . 1 1 32 32 TYR N N 15 122.06 0.06 . 1 . . . . . . . . 4700 1 305 . 1 1 32 32 TYR H H 1 8.873 0.004 . 1 . . . . . . . . 4700 1 306 . 1 1 32 32 TYR CA C 13 54.88 0.04 . 1 . . . . . . . . 4700 1 307 . 1 1 32 32 TYR HA H 1 5.121 0.007 . 1 . . . . . . . . 4700 1 308 . 1 1 32 32 TYR CB C 13 36.56 0.00 . 1 . . . . . . . . 4700 1 309 . 1 1 32 32 TYR HB2 H 1 3.096 0.018 . 1 . . . . . . . . 4700 1 310 . 1 1 32 32 TYR HB3 H 1 3.096 0.018 . 1 . . . . . . . . 4700 1 311 . 1 1 32 32 TYR CD1 C 13 132.90 0.06 . 1 . . . . . . . . 4700 1 312 . 1 1 32 32 TYR CD2 C 13 132.90 0.06 . 1 . . . . . . . . 4700 1 313 . 1 1 32 32 TYR HD1 H 1 7.295 0.007 . 1 . . . . . . . . 4700 1 314 . 1 1 32 32 TYR HD2 H 1 7.295 0.007 . 1 . . . . . . . . 4700 1 315 . 1 1 32 32 TYR CE1 C 13 116.78 0.00 . 1 . . . . . . . . 4700 1 316 . 1 1 32 32 TYR CE2 C 13 116.78 0.00 . 1 . . . . . . . . 4700 1 317 . 1 1 32 32 TYR HE1 H 1 7.033 0.015 . 1 . . . . . . . . 4700 1 318 . 1 1 32 32 TYR HE2 H 1 7.033 0.015 . 1 . . . . . . . . 4700 1 319 . 1 1 33 33 VAL N N 15 132.10 0.08 . 1 . . . . . . . . 4700 1 320 . 1 1 33 33 VAL H H 1 8.470 0.010 . 1 . . . . . . . . 4700 1 321 . 1 1 33 33 VAL CA C 13 59.31 0.03 . 1 . . . . . . . . 4700 1 322 . 1 1 33 33 VAL HA H 1 4.313 0.007 . 1 . . . . . . . . 4700 1 323 . 1 1 33 33 VAL CB C 13 33.41 0.02 . 1 . . . . . . . . 4700 1 324 . 1 1 33 33 VAL HB H 1 2.046 0.009 . 1 . . . . . . . . 4700 1 325 . 1 1 33 33 VAL CG1 C 13 20.54 0.01 . 2 . . . . . . . . 4700 1 326 . 1 1 33 33 VAL HG11 H 1 0.901 0.008 . 2 . . . . . . . . 4700 1 327 . 1 1 33 33 VAL HG12 H 1 0.901 0.008 . 2 . . . . . . . . 4700 1 328 . 1 1 33 33 VAL HG13 H 1 0.901 0.008 . 2 . . . . . . . . 4700 1 329 . 1 1 33 33 VAL CG2 C 13 20.33 0.05 . 2 . . . . . . . . 4700 1 330 . 1 1 33 33 VAL HG21 H 1 0.993 0.014 . 2 . . . . . . . . 4700 1 331 . 1 1 33 33 VAL HG22 H 1 0.993 0.014 . 2 . . . . . . . . 4700 1 332 . 1 1 33 33 VAL HG23 H 1 0.993 0.014 . 2 . . . . . . . . 4700 1 333 . 1 1 34 34 PRO CA C 13 63.87 0.00 . 1 . . . . . . . . 4700 1 334 . 1 1 34 34 PRO HA H 1 4.944 0.000 . 1 . . . . . . . . 4700 1 335 . 1 1 34 34 PRO HB2 H 1 2.433 0.000 . 2 . . . . . . . . 4700 1 336 . 1 1 34 34 PRO CD C 13 50.09 0.00 . 1 . . . . . . . . 4700 1 337 . 1 1 34 34 PRO HD2 H 1 3.600 0.017 . 1 . . . . . . . . 4700 1 338 . 1 1 34 34 PRO HD3 H 1 3.600 0.017 . 1 . . . . . . . . 4700 1 339 . 1 1 35 35 THR N N 15 126.67 0.06 . 1 . . . . . . . . 4700 1 340 . 1 1 35 35 THR H H 1 10.452 0.004 . 1 . . . . . . . . 4700 1 341 . 1 1 35 35 THR CA C 13 64.64 0.01 . 1 . . . . . . . . 4700 1 342 . 1 1 35 35 THR HA H 1 3.917 0.003 . 1 . . . . . . . . 4700 1 343 . 1 1 35 35 THR CB C 13 69.42 0.04 . 1 . . . . . . . . 4700 1 344 . 1 1 35 35 THR HB H 1 4.315 0.021 . 1 . . . . . . . . 4700 1 345 . 1 1 35 35 THR CG2 C 13 20.23 0.00 . 1 . . . . . . . . 4700 1 346 . 1 1 35 35 THR HG21 H 1 1.011 0.009 . 1 . . . . . . . . 4700 1 347 . 1 1 35 35 THR HG22 H 1 1.011 0.009 . 1 . . . . . . . . 4700 1 348 . 1 1 35 35 THR HG23 H 1 1.011 0.009 . 1 . . . . . . . . 4700 1 349 . 1 1 36 36 VAL N N 15 123.68 0.05 . 1 . . . . . . . . 4700 1 350 . 1 1 36 36 VAL H H 1 8.406 0.006 . 1 . . . . . . . . 4700 1 351 . 1 1 36 36 VAL CA C 13 64.72 0.08 . 1 . . . . . . . . 4700 1 352 . 1 1 36 36 VAL HA H 1 3.655 0.016 . 1 . . . . . . . . 4700 1 353 . 1 1 36 36 VAL HB H 1 1.867 0.019 . 1 . . . . . . . . 4700 1 354 . 1 1 36 36 VAL CG1 C 13 22.27 0.02 . 2 . . . . . . . . 4700 1 355 . 1 1 36 36 VAL HG11 H 1 0.444 0.010 . 2 . . . . . . . . 4700 1 356 . 1 1 36 36 VAL HG12 H 1 0.444 0.010 . 2 . . . . . . . . 4700 1 357 . 1 1 36 36 VAL HG13 H 1 0.444 0.010 . 2 . . . . . . . . 4700 1 358 . 1 1 36 36 VAL CG2 C 13 20.36 0.05 . 2 . . . . . . . . 4700 1 359 . 1 1 36 36 VAL HG21 H 1 0.615 0.014 . 2 . . . . . . . . 4700 1 360 . 1 1 36 36 VAL HG22 H 1 0.615 0.014 . 2 . . . . . . . . 4700 1 361 . 1 1 36 36 VAL HG23 H 1 0.615 0.014 . 2 . . . . . . . . 4700 1 362 . 1 1 37 37 PHE N N 15 111.29 0.03 . 1 . . . . . . . . 4700 1 363 . 1 1 37 37 PHE H H 1 7.233 0.009 . 1 . . . . . . . . 4700 1 364 . 1 1 37 37 PHE CA C 13 59.65 0.02 . 1 . . . . . . . . 4700 1 365 . 1 1 37 37 PHE HA H 1 4.644 0.003 . 1 . . . . . . . . 4700 1 366 . 1 1 37 37 PHE CB C 13 41.58 0.00 . 1 . . . . . . . . 4700 1 367 . 1 1 37 37 PHE HB3 H 1 2.113 0.003 . 2 . . . . . . . . 4700 1 368 . 1 1 37 37 PHE HZ H 1 7.026 0.000 . 1 . . . . . . . . 4700 1 369 . 1 1 37 37 PHE HD1 H 1 7.175 0.017 . 1 . . . . . . . . 4700 1 370 . 1 1 37 37 PHE HD2 H 1 7.175 0.017 . 1 . . . . . . . . 4700 1 371 . 1 1 37 37 PHE HE1 H 1 6.927 0.001 . 1 . . . . . . . . 4700 1 372 . 1 1 37 37 PHE HE2 H 1 6.927 0.001 . 1 . . . . . . . . 4700 1 373 . 1 1 38 38 ASP N N 15 124.60 0.06 . 1 . . . . . . . . 4700 1 374 . 1 1 38 38 ASP H H 1 7.843 0.004 . 1 . . . . . . . . 4700 1 375 . 1 1 38 38 ASP CA C 13 53.76 0.04 . 1 . . . . . . . . 4700 1 376 . 1 1 38 38 ASP HA H 1 4.975 0.018 . 1 . . . . . . . . 4700 1 377 . 1 1 38 38 ASP HB2 H 1 2.357 0.006 . 1 . . . . . . . . 4700 1 378 . 1 1 38 38 ASP HB3 H 1 2.357 0.006 . 1 . . . . . . . . 4700 1 379 . 1 1 39 39 ASN N N 15 115.68 0.04 . 1 . . . . . . . . 4700 1 380 . 1 1 39 39 ASN H H 1 8.198 0.009 . 1 . . . . . . . . 4700 1 381 . 1 1 39 39 ASN CA C 13 49.99 0.01 . 1 . . . . . . . . 4700 1 382 . 1 1 39 39 ASN HA H 1 5.002 0.003 . 1 . . . . . . . . 4700 1 383 . 1 1 39 39 ASN CB C 13 42.99 0.00 . 1 . . . . . . . . 4700 1 384 . 1 1 39 39 ASN HB3 H 1 2.110 0.018 . 2 . . . . . . . . 4700 1 385 . 1 1 39 39 ASN HB2 H 1 2.496 0.015 . 2 . . . . . . . . 4700 1 386 . 1 1 39 39 ASN ND2 N 15 106.53 0.05 . 1 . . . . . . . . 4700 1 387 . 1 1 39 39 ASN HD21 H 1 5.781 0.006 . 2 . . . . . . . . 4700 1 388 . 1 1 39 39 ASN HD22 H 1 5.927 0.013 . 2 . . . . . . . . 4700 1 389 . 1 1 40 40 TYR N N 15 123.49 0.11 . 1 . . . . . . . . 4700 1 390 . 1 1 40 40 TYR H H 1 8.871 0.013 . 1 . . . . . . . . 4700 1 391 . 1 1 40 40 TYR CA C 13 53.77 0.13 . 1 . . . . . . . . 4700 1 392 . 1 1 40 40 TYR HA H 1 5.526 0.017 . 1 . . . . . . . . 4700 1 393 . 1 1 40 40 TYR CB C 13 41.16 0.06 . 1 . . . . . . . . 4700 1 394 . 1 1 40 40 TYR HB2 H 1 3.543 0.000 . 1 . . . . . . . . 4700 1 395 . 1 1 40 40 TYR HB3 H 1 3.543 0.000 . 1 . . . . . . . . 4700 1 396 . 1 1 40 40 TYR CD1 C 13 132.50 0.06 . 1 . . . . . . . . 4700 1 397 . 1 1 40 40 TYR CD2 C 13 132.50 0.06 . 1 . . . . . . . . 4700 1 398 . 1 1 40 40 TYR HD1 H 1 6.698 0.005 . 1 . . . . . . . . 4700 1 399 . 1 1 40 40 TYR HD2 H 1 6.698 0.005 . 1 . . . . . . . . 4700 1 400 . 1 1 40 40 TYR CE1 C 13 117.53 0.03 . 1 . . . . . . . . 4700 1 401 . 1 1 40 40 TYR CE2 C 13 117.53 0.03 . 1 . . . . . . . . 4700 1 402 . 1 1 40 40 TYR HE1 H 1 6.142 0.003 . 1 . . . . . . . . 4700 1 403 . 1 1 40 40 TYR HE2 H 1 6.142 0.003 . 1 . . . . . . . . 4700 1 404 . 1 1 41 41 ALA N N 15 123.35 0.03 . 1 . . . . . . . . 4700 1 405 . 1 1 41 41 ALA H H 1 9.031 0.008 . 1 . . . . . . . . 4700 1 406 . 1 1 41 41 ALA CA C 13 51.26 0.05 . 1 . . . . . . . . 4700 1 407 . 1 1 41 41 ALA HA H 1 5.648 0.010 . 1 . . . . . . . . 4700 1 408 . 1 1 41 41 ALA CB C 13 22.11 0.07 . 1 . . . . . . . . 4700 1 409 . 1 1 41 41 ALA HB1 H 1 1.333 0.008 . 1 . . . . . . . . 4700 1 410 . 1 1 41 41 ALA HB2 H 1 1.333 0.008 . 1 . . . . . . . . 4700 1 411 . 1 1 41 41 ALA HB3 H 1 1.333 0.008 . 1 . . . . . . . . 4700 1 412 . 1 1 42 42 VAL N N 15 108.58 0.03 . 1 . . . . . . . . 4700 1 413 . 1 1 42 42 VAL H H 1 8.255 0.007 . 1 . . . . . . . . 4700 1 414 . 1 1 42 42 VAL CA C 13 58.83 0.06 . 1 . . . . . . . . 4700 1 415 . 1 1 42 42 VAL HA H 1 4.884 0.010 . 1 . . . . . . . . 4700 1 416 . 1 1 42 42 VAL CB C 13 36.61 0.00 . 1 . . . . . . . . 4700 1 417 . 1 1 42 42 VAL HB H 1 2.483 0.016 . 1 . . . . . . . . 4700 1 418 . 1 1 42 42 VAL CG1 C 13 18.88 0.05 . 2 . . . . . . . . 4700 1 419 . 1 1 42 42 VAL HG11 H 1 0.953 0.005 . 2 . . . . . . . . 4700 1 420 . 1 1 42 42 VAL HG12 H 1 0.953 0.005 . 2 . . . . . . . . 4700 1 421 . 1 1 42 42 VAL HG13 H 1 0.953 0.005 . 2 . . . . . . . . 4700 1 422 . 1 1 42 42 VAL CG2 C 13 24.34 0.00 . 2 . . . . . . . . 4700 1 423 . 1 1 42 42 VAL HG21 H 1 1.061 0.012 . 2 . . . . . . . . 4700 1 424 . 1 1 42 42 VAL HG22 H 1 1.061 0.012 . 2 . . . . . . . . 4700 1 425 . 1 1 42 42 VAL HG23 H 1 1.061 0.012 . 2 . . . . . . . . 4700 1 426 . 1 1 43 43 THR N N 15 116.97 0.02 . 1 . . . . . . . . 4700 1 427 . 1 1 43 43 THR H H 1 9.178 0.012 . 1 . . . . . . . . 4700 1 428 . 1 1 43 43 THR CA C 13 61.55 0.05 . 1 . . . . . . . . 4700 1 429 . 1 1 43 43 THR HA H 1 5.356 0.011 . 1 . . . . . . . . 4700 1 430 . 1 1 43 43 THR CB C 13 69.72 0.12 . 1 . . . . . . . . 4700 1 431 . 1 1 43 43 THR HB H 1 3.981 0.012 . 1 . . . . . . . . 4700 1 432 . 1 1 43 43 THR CG2 C 13 22.09 0.04 . 1 . . . . . . . . 4700 1 433 . 1 1 43 43 THR HG21 H 1 1.147 0.009 . 1 . . . . . . . . 4700 1 434 . 1 1 43 43 THR HG22 H 1 1.147 0.009 . 1 . . . . . . . . 4700 1 435 . 1 1 43 43 THR HG23 H 1 1.147 0.009 . 1 . . . . . . . . 4700 1 436 . 1 1 44 44 VAL N N 15 120.30 0.04 . 1 . . . . . . . . 4700 1 437 . 1 1 44 44 VAL H H 1 9.139 0.014 . 1 . . . . . . . . 4700 1 438 . 1 1 44 44 VAL CA C 13 60.54 0.01 . 1 . . . . . . . . 4700 1 439 . 1 1 44 44 VAL HA H 1 4.259 0.014 . 1 . . . . . . . . 4700 1 440 . 1 1 44 44 VAL CB C 13 35.48 0.07 . 1 . . . . . . . . 4700 1 441 . 1 1 44 44 VAL HB H 1 1.846 0.008 . 1 . . . . . . . . 4700 1 442 . 1 1 44 44 VAL CG1 C 13 22.20 0.03 . 2 . . . . . . . . 4700 1 443 . 1 1 44 44 VAL HG11 H 1 0.861 0.004 . 2 . . . . . . . . 4700 1 444 . 1 1 44 44 VAL HG12 H 1 0.861 0.004 . 2 . . . . . . . . 4700 1 445 . 1 1 44 44 VAL HG13 H 1 0.861 0.004 . 2 . . . . . . . . 4700 1 446 . 1 1 44 44 VAL CG2 C 13 19.89 0.04 . 2 . . . . . . . . 4700 1 447 . 1 1 44 44 VAL HG21 H 1 0.858 0.006 . 2 . . . . . . . . 4700 1 448 . 1 1 44 44 VAL HG22 H 1 0.858 0.006 . 2 . . . . . . . . 4700 1 449 . 1 1 44 44 VAL HG23 H 1 0.858 0.006 . 2 . . . . . . . . 4700 1 450 . 1 1 45 45 MET N N 15 120.44 0.05 . 1 . . . . . . . . 4700 1 451 . 1 1 45 45 MET H H 1 8.652 0.006 . 1 . . . . . . . . 4700 1 452 . 1 1 45 45 MET CA C 13 52.99 0.08 . 1 . . . . . . . . 4700 1 453 . 1 1 45 45 MET HA H 1 5.244 0.017 . 1 . . . . . . . . 4700 1 454 . 1 1 45 45 MET CG C 13 31.83 0.02 . 1 . . . . . . . . 4700 1 455 . 1 1 45 45 MET CE C 13 16.57 0.03 . 1 . . . . . . . . 4700 1 456 . 1 1 45 45 MET HE1 H 1 1.938 0.007 . 1 . . . . . . . . 4700 1 457 . 1 1 45 45 MET HE2 H 1 1.938 0.007 . 1 . . . . . . . . 4700 1 458 . 1 1 45 45 MET HE3 H 1 1.938 0.007 . 1 . . . . . . . . 4700 1 459 . 1 1 45 45 MET HB2 H 1 2.032 0.009 . 1 . . . . . . . . 4700 1 460 . 1 1 45 45 MET HB3 H 1 2.032 0.009 . 1 . . . . . . . . 4700 1 461 . 1 1 45 45 MET HG2 H 1 2.566 0.005 . 1 . . . . . . . . 4700 1 462 . 1 1 45 45 MET HG3 H 1 2.566 0.005 . 1 . . . . . . . . 4700 1 463 . 1 1 46 46 ILE N N 15 124.40 0.06 . 1 . . . . . . . . 4700 1 464 . 1 1 46 46 ILE H H 1 9.292 0.007 . 1 . . . . . . . . 4700 1 465 . 1 1 46 46 ILE CA C 13 60.87 0.07 . 1 . . . . . . . . 4700 1 466 . 1 1 46 46 ILE HA H 1 4.642 0.007 . 1 . . . . . . . . 4700 1 467 . 1 1 46 46 ILE CB C 13 38.13 0.07 . 1 . . . . . . . . 4700 1 468 . 1 1 46 46 ILE HB H 1 1.840 0.013 . 1 . . . . . . . . 4700 1 469 . 1 1 46 46 ILE CG1 C 13 26.94 0.02 . 1 . . . . . . . . 4700 1 470 . 1 1 46 46 ILE HG13 H 1 0.786 0.004 . 2 . . . . . . . . 4700 1 471 . 1 1 46 46 ILE HG12 H 1 1.422 0.012 . 2 . . . . . . . . 4700 1 472 . 1 1 46 46 ILE CG2 C 13 16.33 0.04 . 1 . . . . . . . . 4700 1 473 . 1 1 46 46 ILE HG21 H 1 0.597 0.007 . 1 . . . . . . . . 4700 1 474 . 1 1 46 46 ILE HG22 H 1 0.597 0.007 . 1 . . . . . . . . 4700 1 475 . 1 1 46 46 ILE HG23 H 1 0.597 0.007 . 1 . . . . . . . . 4700 1 476 . 1 1 46 46 ILE CD1 C 13 13.52 0.03 . 1 . . . . . . . . 4700 1 477 . 1 1 46 46 ILE HD11 H 1 0.109 0.016 . 1 . . . . . . . . 4700 1 478 . 1 1 46 46 ILE HD12 H 1 0.109 0.016 . 1 . . . . . . . . 4700 1 479 . 1 1 46 46 ILE HD13 H 1 0.109 0.016 . 1 . . . . . . . . 4700 1 480 . 1 1 47 47 GLY N N 15 118.11 0.01 . 1 . . . . . . . . 4700 1 481 . 1 1 47 47 GLY H H 1 9.417 0.012 . 1 . . . . . . . . 4700 1 482 . 1 1 47 47 GLY CA C 13 47.38 0.08 . 1 . . . . . . . . 4700 1 483 . 1 1 47 47 GLY HA2 H 1 3.979 0.004 . 1 . . . . . . . . 4700 1 484 . 1 1 47 47 GLY HA3 H 1 3.979 0.004 . 1 . . . . . . . . 4700 1 485 . 1 1 48 48 GLY N N 15 103.81 0.05 . 1 . . . . . . . . 4700 1 486 . 1 1 48 48 GLY H H 1 8.604 0.007 . 1 . . . . . . . . 4700 1 487 . 1 1 48 48 GLY CA C 13 44.79 0.08 . 1 . . . . . . . . 4700 1 488 . 1 1 48 48 GLY HA3 H 1 3.707 0.014 . 2 . . . . . . . . 4700 1 489 . 1 1 48 48 GLY HA2 H 1 4.213 0.009 . 2 . . . . . . . . 4700 1 490 . 1 1 49 49 GLU N N 15 119.99 0.02 . 1 . . . . . . . . 4700 1 491 . 1 1 49 49 GLU H H 1 7.785 0.005 . 1 . . . . . . . . 4700 1 492 . 1 1 49 49 GLU CA C 13 52.49 0.00 . 1 . . . . . . . . 4700 1 493 . 1 1 49 49 GLU HA H 1 5.046 0.008 . 1 . . . . . . . . 4700 1 494 . 1 1 49 49 GLU HB2 H 1 2.209 0.000 . 2 . . . . . . . . 4700 1 495 . 1 1 49 49 GLU CG C 13 35.28 0.04 . 1 . . . . . . . . 4700 1 496 . 1 1 49 49 GLU HG3 H 1 2.266 0.010 . 2 . . . . . . . . 4700 1 497 . 1 1 49 49 GLU HG2 H 1 2.374 0.006 . 2 . . . . . . . . 4700 1 498 . 1 1 50 50 PRO CA C 13 63.15 0.02 . 1 . . . . . . . . 4700 1 499 . 1 1 50 50 PRO HA H 1 5.059 0.009 . 1 . . . . . . . . 4700 1 500 . 1 1 50 50 PRO CB C 13 31.74 0.00 . 1 . . . . . . . . 4700 1 501 . 1 1 50 50 PRO HD2 H 1 3.835 0.000 . 1 . . . . . . . . 4700 1 502 . 1 1 50 50 PRO HD3 H 1 3.835 0.000 . 1 . . . . . . . . 4700 1 503 . 1 1 51 51 TYR N N 15 122.33 0.07 . 1 . . . . . . . . 4700 1 504 . 1 1 51 51 TYR H H 1 9.440 0.013 . 1 . . . . . . . . 4700 1 505 . 1 1 51 51 TYR CA C 13 56.69 0.08 . 1 . . . . . . . . 4700 1 506 . 1 1 51 51 TYR HA H 1 4.940 0.005 . 1 . . . . . . . . 4700 1 507 . 1 1 51 51 TYR CB C 13 41.64 0.00 . 1 . . . . . . . . 4700 1 508 . 1 1 51 51 TYR HB3 H 1 2.525 0.002 . 2 . . . . . . . . 4700 1 509 . 1 1 51 51 TYR HB2 H 1 2.986 0.030 . 2 . . . . . . . . 4700 1 510 . 1 1 51 51 TYR CD1 C 13 132.98 0.02 . 1 . . . . . . . . 4700 1 511 . 1 1 51 51 TYR CD2 C 13 132.98 0.02 . 1 . . . . . . . . 4700 1 512 . 1 1 51 51 TYR HD1 H 1 7.102 0.011 . 1 . . . . . . . . 4700 1 513 . 1 1 51 51 TYR HD2 H 1 7.102 0.011 . 1 . . . . . . . . 4700 1 514 . 1 1 51 51 TYR CE1 C 13 117.93 0.02 . 1 . . . . . . . . 4700 1 515 . 1 1 51 51 TYR CE2 C 13 117.93 0.02 . 1 . . . . . . . . 4700 1 516 . 1 1 51 51 TYR HE1 H 1 6.730 0.010 . 1 . . . . . . . . 4700 1 517 . 1 1 51 51 TYR HE2 H 1 6.730 0.010 . 1 . . . . . . . . 4700 1 518 . 1 1 52 52 THR N N 15 115.70 0.05 . 1 . . . . . . . . 4700 1 519 . 1 1 52 52 THR H H 1 8.813 0.009 . 1 . . . . . . . . 4700 1 520 . 1 1 52 52 THR CA C 13 62.25 0.11 . 1 . . . . . . . . 4700 1 521 . 1 1 52 52 THR HA H 1 5.038 0.017 . 1 . . . . . . . . 4700 1 522 . 1 1 52 52 THR CB C 13 69.89 0.08 . 1 . . . . . . . . 4700 1 523 . 1 1 52 52 THR HB H 1 4.116 0.014 . 1 . . . . . . . . 4700 1 524 . 1 1 52 52 THR CG2 C 13 21.63 0.09 . 1 . . . . . . . . 4700 1 525 . 1 1 52 52 THR HG21 H 1 1.239 0.012 . 1 . . . . . . . . 4700 1 526 . 1 1 52 52 THR HG22 H 1 1.239 0.012 . 1 . . . . . . . . 4700 1 527 . 1 1 52 52 THR HG23 H 1 1.239 0.012 . 1 . . . . . . . . 4700 1 528 . 1 1 53 53 LEU N N 15 130.46 0.04 . 1 . . . . . . . . 4700 1 529 . 1 1 53 53 LEU H H 1 9.729 0.007 . 1 . . . . . . . . 4700 1 530 . 1 1 53 53 LEU CA C 13 53.56 0.04 . 1 . . . . . . . . 4700 1 531 . 1 1 53 53 LEU HA H 1 5.158 0.008 . 1 . . . . . . . . 4700 1 532 . 1 1 53 53 LEU CB C 13 43.24 0.07 . 1 . . . . . . . . 4700 1 533 . 1 1 53 53 LEU HB3 H 1 1.252 0.009 . 2 . . . . . . . . 4700 1 534 . 1 1 53 53 LEU HB2 H 1 2.108 0.008 . 2 . . . . . . . . 4700 1 535 . 1 1 53 53 LEU CG C 13 27.12 0.00 . 1 . . . . . . . . 4700 1 536 . 1 1 53 53 LEU HG H 1 1.562 0.012 . 1 . . . . . . . . 4700 1 537 . 1 1 53 53 LEU CD1 C 13 23.58 0.02 . 2 . . . . . . . . 4700 1 538 . 1 1 53 53 LEU HD11 H 1 0.943 0.006 . 2 . . . . . . . . 4700 1 539 . 1 1 53 53 LEU HD12 H 1 0.943 0.006 . 2 . . . . . . . . 4700 1 540 . 1 1 53 53 LEU HD13 H 1 0.943 0.006 . 2 . . . . . . . . 4700 1 541 . 1 1 53 53 LEU CD2 C 13 26.40 0.02 . 2 . . . . . . . . 4700 1 542 . 1 1 53 53 LEU HD21 H 1 1.014 0.011 . 2 . . . . . . . . 4700 1 543 . 1 1 53 53 LEU HD22 H 1 1.014 0.011 . 2 . . . . . . . . 4700 1 544 . 1 1 53 53 LEU HD23 H 1 1.014 0.011 . 2 . . . . . . . . 4700 1 545 . 1 1 54 54 GLY N N 15 114.38 0.08 . 1 . . . . . . . . 4700 1 546 . 1 1 54 54 GLY H H 1 9.731 0.007 . 1 . . . . . . . . 4700 1 547 . 1 1 54 54 GLY CA C 13 45.39 0.01 . 1 . . . . . . . . 4700 1 548 . 1 1 54 54 GLY HA2 H 1 3.855 0.006 . 1 . . . . . . . . 4700 1 549 . 1 1 54 54 GLY HA3 H 1 3.855 0.006 . 1 . . . . . . . . 4700 1 550 . 1 1 55 55 LEU N N 15 124.39 0.08 . 1 . . . . . . . . 4700 1 551 . 1 1 55 55 LEU H H 1 9.326 0.007 . 1 . . . . . . . . 4700 1 552 . 1 1 55 55 LEU CA C 13 53.54 0.02 . 1 . . . . . . . . 4700 1 553 . 1 1 55 55 LEU HA H 1 5.470 0.011 . 1 . . . . . . . . 4700 1 554 . 1 1 55 55 LEU CG C 13 26.13 0.00 . 1 . . . . . . . . 4700 1 555 . 1 1 55 55 LEU HG H 1 1.854 0.008 . 1 . . . . . . . . 4700 1 556 . 1 1 55 55 LEU CD1 C 13 26.14 0.02 . 2 . . . . . . . . 4700 1 557 . 1 1 55 55 LEU HD11 H 1 0.988 0.005 . 2 . . . . . . . . 4700 1 558 . 1 1 55 55 LEU HD12 H 1 0.988 0.005 . 2 . . . . . . . . 4700 1 559 . 1 1 55 55 LEU HD13 H 1 0.988 0.005 . 2 . . . . . . . . 4700 1 560 . 1 1 55 55 LEU CD2 C 13 23.60 0.02 . 2 . . . . . . . . 4700 1 561 . 1 1 55 55 LEU HD21 H 1 1.093 0.011 . 2 . . . . . . . . 4700 1 562 . 1 1 55 55 LEU HD22 H 1 1.093 0.011 . 2 . . . . . . . . 4700 1 563 . 1 1 55 55 LEU HD23 H 1 1.093 0.011 . 2 . . . . . . . . 4700 1 564 . 1 1 55 55 LEU HB2 H 1 1.607 0.020 . 1 . . . . . . . . 4700 1 565 . 1 1 55 55 LEU HB3 H 1 1.607 0.020 . 1 . . . . . . . . 4700 1 566 . 1 1 56 56 PHE N N 15 127.12 0.06 . 1 . . . . . . . . 4700 1 567 . 1 1 56 56 PHE H H 1 9.535 0.006 . 1 . . . . . . . . 4700 1 568 . 1 1 56 56 PHE CA C 13 57.69 0.00 . 1 . . . . . . . . 4700 1 569 . 1 1 56 56 PHE HA H 1 4.640 0.003 . 1 . . . . . . . . 4700 1 570 . 1 1 56 56 PHE CB C 13 40.27 0.00 . 1 . . . . . . . . 4700 1 571 . 1 1 56 56 PHE HB2 H 1 2.982 0.000 . 1 . . . . . . . . 4700 1 572 . 1 1 56 56 PHE HB3 H 1 2.982 0.000 . 1 . . . . . . . . 4700 1 573 . 1 1 56 56 PHE CD1 C 13 131.95 0.00 . 1 . . . . . . . . 4700 1 574 . 1 1 56 56 PHE CD2 C 13 131.95 0.00 . 1 . . . . . . . . 4700 1 575 . 1 1 56 56 PHE HD1 H 1 7.683 0.010 . 1 . . . . . . . . 4700 1 576 . 1 1 56 56 PHE HD2 H 1 7.683 0.010 . 1 . . . . . . . . 4700 1 577 . 1 1 56 56 PHE CE1 C 13 131.94 0.00 . 1 . . . . . . . . 4700 1 578 . 1 1 56 56 PHE CE2 C 13 131.94 0.00 . 1 . . . . . . . . 4700 1 579 . 1 1 56 56 PHE HE1 H 1 7.536 0.019 . 1 . . . . . . . . 4700 1 580 . 1 1 56 56 PHE HE2 H 1 7.536 0.019 . 1 . . . . . . . . 4700 1 581 . 1 1 57 57 ASP N N 15 125.08 0.05 . 1 . . . . . . . . 4700 1 582 . 1 1 57 57 ASP H H 1 8.902 0.007 . 1 . . . . . . . . 4700 1 583 . 1 1 57 57 ASP CA C 13 53.30 0.01 . 1 . . . . . . . . 4700 1 584 . 1 1 57 57 ASP HA H 1 4.864 0.016 . 1 . . . . . . . . 4700 1 585 . 1 1 57 57 ASP CB C 13 42.85 0.00 . 1 . . . . . . . . 4700 1 586 . 1 1 57 57 ASP HB3 H 1 2.336 0.003 . 2 . . . . . . . . 4700 1 587 . 1 1 58 58 THR N N 15 108.86 0.08 . 1 . . . . . . . . 4700 1 588 . 1 1 58 58 THR H H 1 6.917 0.005 . 1 . . . . . . . . 4700 1 589 . 1 1 58 58 THR CA C 13 60.00 0.01 . 1 . . . . . . . . 4700 1 590 . 1 1 58 58 THR HA H 1 5.197 0.021 . 1 . . . . . . . . 4700 1 591 . 1 1 58 58 THR HB H 1 4.573 0.000 . 1 . . . . . . . . 4700 1 592 . 1 1 58 58 THR CG2 C 13 21.23 0.04 . 1 . . . . . . . . 4700 1 593 . 1 1 58 58 THR HG21 H 1 1.586 0.006 . 1 . . . . . . . . 4700 1 594 . 1 1 58 58 THR HG22 H 1 1.586 0.006 . 1 . . . . . . . . 4700 1 595 . 1 1 58 58 THR HG23 H 1 1.586 0.006 . 1 . . . . . . . . 4700 1 596 . 1 1 59 59 ALA N N 15 118.43 0.02 . 1 . . . . . . . . 4700 1 597 . 1 1 59 59 ALA H H 1 7.727 0.009 . 1 . . . . . . . . 4700 1 598 . 1 1 59 59 ALA CA C 13 52.24 0.02 . 1 . . . . . . . . 4700 1 599 . 1 1 59 59 ALA HA H 1 4.517 0.016 . 1 . . . . . . . . 4700 1 600 . 1 1 59 59 ALA CB C 13 22.61 0.04 . 1 . . . . . . . . 4700 1 601 . 1 1 59 59 ALA HB1 H 1 1.924 0.005 . 1 . . . . . . . . 4700 1 602 . 1 1 59 59 ALA HB2 H 1 1.924 0.005 . 1 . . . . . . . . 4700 1 603 . 1 1 59 59 ALA HB3 H 1 1.924 0.005 . 1 . . . . . . . . 4700 1 604 . 1 1 60 60 GLY CA C 13 46.25 0.00 . 1 . . . . . . . . 4700 1 605 . 1 1 61 61 LEU N N 15 120.61 0.07 . 1 . . . . . . . . 4700 1 606 . 1 1 61 61 LEU H H 1 8.548 0.001 . 1 . . . . . . . . 4700 1 607 . 1 1 61 61 LEU CA C 13 55.67 0.06 . 1 . . . . . . . . 4700 1 608 . 1 1 61 61 LEU HA H 1 4.470 0.012 . 1 . . . . . . . . 4700 1 609 . 1 1 61 61 LEU CB C 13 42.25 0.03 . 1 . . . . . . . . 4700 1 610 . 1 1 61 61 LEU HB3 H 1 1.619 0.017 . 2 . . . . . . . . 4700 1 611 . 1 1 61 61 LEU HB2 H 1 2.058 0.021 . 2 . . . . . . . . 4700 1 612 . 1 1 61 61 LEU CG C 13 27.41 0.04 . 1 . . . . . . . . 4700 1 613 . 1 1 61 61 LEU HG H 1 2.106 0.010 . 1 . . . . . . . . 4700 1 614 . 1 1 61 61 LEU CD1 C 13 22.98 0.04 . 2 . . . . . . . . 4700 1 615 . 1 1 61 61 LEU HD11 H 1 1.052 0.004 . 2 . . . . . . . . 4700 1 616 . 1 1 61 61 LEU HD12 H 1 1.052 0.004 . 2 . . . . . . . . 4700 1 617 . 1 1 61 61 LEU HD13 H 1 1.052 0.004 . 2 . . . . . . . . 4700 1 618 . 1 1 61 61 LEU CD2 C 13 25.12 0.01 . 2 . . . . . . . . 4700 1 619 . 1 1 61 61 LEU HD21 H 1 1.099 0.007 . 2 . . . . . . . . 4700 1 620 . 1 1 61 61 LEU HD22 H 1 1.099 0.007 . 2 . . . . . . . . 4700 1 621 . 1 1 61 61 LEU HD23 H 1 1.099 0.007 . 2 . . . . . . . . 4700 1 622 . 1 1 62 62 GLU N N 15 121.29 0.05 . 1 . . . . . . . . 4700 1 623 . 1 1 62 62 GLU H H 1 9.049 0.005 . 1 . . . . . . . . 4700 1 624 . 1 1 62 62 GLU CA C 13 57.47 0.04 . 1 . . . . . . . . 4700 1 625 . 1 1 62 62 GLU HA H 1 4.258 0.006 . 1 . . . . . . . . 4700 1 626 . 1 1 62 62 GLU CB C 13 28.99 0.01 . 1 . . . . . . . . 4700 1 627 . 1 1 62 62 GLU HB3 H 1 2.070 0.006 . 2 . . . . . . . . 4700 1 628 . 1 1 62 62 GLU HB2 H 1 2.116 0.012 . 2 . . . . . . . . 4700 1 629 . 1 1 62 62 GLU CG C 13 35.50 0.03 . 1 . . . . . . . . 4700 1 630 . 1 1 62 62 GLU HG2 H 1 2.348 0.007 . 1 . . . . . . . . 4700 1 631 . 1 1 62 62 GLU HG3 H 1 2.348 0.007 . 1 . . . . . . . . 4700 1 632 . 1 1 63 63 ASP N N 15 116.04 0.05 . 1 . . . . . . . . 4700 1 633 . 1 1 63 63 ASP H H 1 8.478 0.010 . 1 . . . . . . . . 4700 1 634 . 1 1 63 63 ASP CA C 13 55.66 0.03 . 1 . . . . . . . . 4700 1 635 . 1 1 63 63 ASP HA H 1 4.057 0.009 . 1 . . . . . . . . 4700 1 636 . 1 1 63 63 ASP CB C 13 39.03 0.11 . 1 . . . . . . . . 4700 1 637 . 1 1 63 63 ASP HB3 H 1 1.163 0.018 . 2 . . . . . . . . 4700 1 638 . 1 1 63 63 ASP HB2 H 1 1.915 0.012 . 2 . . . . . . . . 4700 1 639 . 1 1 64 64 TYR N N 15 113.57 0.01 . 1 . . . . . . . . 4700 1 640 . 1 1 64 64 TYR H H 1 7.229 0.010 . 1 . . . . . . . . 4700 1 641 . 1 1 64 64 TYR CA C 13 55.19 0.04 . 1 . . . . . . . . 4700 1 642 . 1 1 64 64 TYR HA H 1 5.089 0.010 . 1 . . . . . . . . 4700 1 643 . 1 1 64 64 TYR CB C 13 37.07 0.06 . 1 . . . . . . . . 4700 1 644 . 1 1 64 64 TYR HB3 H 1 2.769 0.001 . 2 . . . . . . . . 4700 1 645 . 1 1 64 64 TYR HB2 H 1 3.569 0.019 . 2 . . . . . . . . 4700 1 646 . 1 1 64 64 TYR CD1 C 13 132.03 0.01 . 1 . . . . . . . . 4700 1 647 . 1 1 64 64 TYR CD2 C 13 132.03 0.01 . 1 . . . . . . . . 4700 1 648 . 1 1 64 64 TYR HD1 H 1 7.152 0.010 . 1 . . . . . . . . 4700 1 649 . 1 1 64 64 TYR HD2 H 1 7.152 0.010 . 1 . . . . . . . . 4700 1 650 . 1 1 64 64 TYR CE1 C 13 118.73 0.03 . 1 . . . . . . . . 4700 1 651 . 1 1 64 64 TYR CE2 C 13 118.73 0.03 . 1 . . . . . . . . 4700 1 652 . 1 1 64 64 TYR HE1 H 1 6.525 0.004 . 1 . . . . . . . . 4700 1 653 . 1 1 64 64 TYR HE2 H 1 6.525 0.004 . 1 . . . . . . . . 4700 1 654 . 1 1 65 65 ASP N N 15 121.51 0.03 . 1 . . . . . . . . 4700 1 655 . 1 1 65 65 ASP H H 1 8.003 0.006 . 1 . . . . . . . . 4700 1 656 . 1 1 65 65 ASP CA C 13 57.88 0.06 . 1 . . . . . . . . 4700 1 657 . 1 1 65 65 ASP HA H 1 4.454 0.005 . 1 . . . . . . . . 4700 1 658 . 1 1 65 65 ASP CB C 13 40.54 0.05 . 1 . . . . . . . . 4700 1 659 . 1 1 65 65 ASP HB2 H 1 2.765 0.013 . 1 . . . . . . . . 4700 1 660 . 1 1 65 65 ASP HB3 H 1 2.765 0.013 . 1 . . . . . . . . 4700 1 661 . 1 1 66 66 ARG N N 15 114.23 0.02 . 1 . . . . . . . . 4700 1 662 . 1 1 66 66 ARG H H 1 8.718 0.007 . 1 . . . . . . . . 4700 1 663 . 1 1 66 66 ARG CA C 13 57.99 0.06 . 1 . . . . . . . . 4700 1 664 . 1 1 66 66 ARG HA H 1 4.081 0.008 . 1 . . . . . . . . 4700 1 665 . 1 1 66 66 ARG CB C 13 29.74 0.02 . 1 . . . . . . . . 4700 1 666 . 1 1 66 66 ARG HB3 H 1 1.766 0.012 . 2 . . . . . . . . 4700 1 667 . 1 1 66 66 ARG HB2 H 1 1.827 0.010 . 2 . . . . . . . . 4700 1 668 . 1 1 66 66 ARG CG C 13 27.46 0.01 . 1 . . . . . . . . 4700 1 669 . 1 1 66 66 ARG CD C 13 43.27 0.03 . 1 . . . . . . . . 4700 1 670 . 1 1 66 66 ARG HG2 H 1 1.659 0.018 . 1 . . . . . . . . 4700 1 671 . 1 1 66 66 ARG HG3 H 1 1.659 0.018 . 1 . . . . . . . . 4700 1 672 . 1 1 66 66 ARG HD2 H 1 3.250 0.011 . 1 . . . . . . . . 4700 1 673 . 1 1 66 66 ARG HD3 H 1 3.250 0.011 . 1 . . . . . . . . 4700 1 674 . 1 1 67 67 LEU N N 15 115.02 0.03 . 1 . . . . . . . . 4700 1 675 . 1 1 67 67 LEU H H 1 7.244 0.005 . 1 . . . . . . . . 4700 1 676 . 1 1 67 67 LEU CA C 13 55.17 0.05 . 1 . . . . . . . . 4700 1 677 . 1 1 67 67 LEU HA H 1 3.985 0.013 . 1 . . . . . . . . 4700 1 678 . 1 1 67 67 LEU CB C 13 43.23 0.04 . 1 . . . . . . . . 4700 1 679 . 1 1 67 67 LEU HB3 H 1 1.447 0.012 . 2 . . . . . . . . 4700 1 680 . 1 1 67 67 LEU HB2 H 1 1.637 0.011 . 2 . . . . . . . . 4700 1 681 . 1 1 67 67 LEU CG C 13 27.00 0.00 . 1 . . . . . . . . 4700 1 682 . 1 1 67 67 LEU HG H 1 1.447 0.000 . 1 . . . . . . . . 4700 1 683 . 1 1 67 67 LEU CD1 C 13 26.19 0.05 . 2 . . . . . . . . 4700 1 684 . 1 1 67 67 LEU HD11 H 1 0.579 0.002 . 2 . . . . . . . . 4700 1 685 . 1 1 67 67 LEU HD12 H 1 0.579 0.002 . 2 . . . . . . . . 4700 1 686 . 1 1 67 67 LEU HD13 H 1 0.579 0.002 . 2 . . . . . . . . 4700 1 687 . 1 1 67 67 LEU CD2 C 13 24.87 0.02 . 2 . . . . . . . . 4700 1 688 . 1 1 67 67 LEU HD21 H 1 0.586 0.006 . 2 . . . . . . . . 4700 1 689 . 1 1 67 67 LEU HD22 H 1 0.586 0.006 . 2 . . . . . . . . 4700 1 690 . 1 1 67 67 LEU HD23 H 1 0.586 0.006 . 2 . . . . . . . . 4700 1 691 . 1 1 68 68 ARG N N 15 120.23 0.04 . 1 . . . . . . . . 4700 1 692 . 1 1 68 68 ARG H H 1 7.570 0.007 . 1 . . . . . . . . 4700 1 693 . 1 1 68 68 ARG CA C 13 61.21 0.00 . 1 . . . . . . . . 4700 1 694 . 1 1 68 68 ARG HB3 H 1 1.829 0.000 . 2 . . . . . . . . 4700 1 695 . 1 1 68 68 ARG HB2 H 1 2.038 0.000 . 2 . . . . . . . . 4700 1 696 . 1 1 68 68 ARG HD2 H 1 3.056 0.000 . 1 . . . . . . . . 4700 1 697 . 1 1 68 68 ARG HD3 H 1 3.056 0.000 . 1 . . . . . . . . 4700 1 698 . 1 1 69 69 PRO CA C 13 63.55 0.02 . 1 . . . . . . . . 4700 1 699 . 1 1 69 69 PRO HD2 H 1 3.811 0.000 . 1 . . . . . . . . 4700 1 700 . 1 1 69 69 PRO HD3 H 1 3.811 0.000 . 1 . . . . . . . . 4700 1 701 . 1 1 70 70 LEU N N 15 116.69 0.03 . 1 . . . . . . . . 4700 1 702 . 1 1 70 70 LEU H H 1 6.950 0.014 . 1 . . . . . . . . 4700 1 703 . 1 1 70 70 LEU CA C 13 56.33 0.08 . 1 . . . . . . . . 4700 1 704 . 1 1 70 70 LEU HA H 1 3.542 0.009 . 1 . . . . . . . . 4700 1 705 . 1 1 70 70 LEU CB C 13 37.92 0.00 . 1 . . . . . . . . 4700 1 706 . 1 1 70 70 LEU HB2 H 1 0.346 0.000 . 2 . . . . . . . . 4700 1 707 . 1 1 70 70 LEU CG C 13 26.70 0.02 . 1 . . . . . . . . 4700 1 708 . 1 1 70 70 LEU HG H 1 1.193 0.008 . 1 . . . . . . . . 4700 1 709 . 1 1 70 70 LEU CD1 C 13 24.61 0.02 . 2 . . . . . . . . 4700 1 710 . 1 1 70 70 LEU HD11 H 1 0.315 0.017 . 2 . . . . . . . . 4700 1 711 . 1 1 70 70 LEU HD12 H 1 0.315 0.017 . 2 . . . . . . . . 4700 1 712 . 1 1 70 70 LEU HD13 H 1 0.315 0.017 . 2 . . . . . . . . 4700 1 713 . 1 1 70 70 LEU CD2 C 13 22.27 0.02 . 2 . . . . . . . . 4700 1 714 . 1 1 70 70 LEU HD21 H 1 0.425 0.015 . 2 . . . . . . . . 4700 1 715 . 1 1 70 70 LEU HD22 H 1 0.425 0.015 . 2 . . . . . . . . 4700 1 716 . 1 1 70 70 LEU HD23 H 1 0.425 0.015 . 2 . . . . . . . . 4700 1 717 . 1 1 71 71 SER N N 15 108.96 0.05 . 1 . . . . . . . . 4700 1 718 . 1 1 71 71 SER H H 1 7.400 0.006 . 1 . . . . . . . . 4700 1 719 . 1 1 71 71 SER CA C 13 60.32 0.02 . 1 . . . . . . . . 4700 1 720 . 1 1 71 71 SER HA H 1 4.216 0.016 . 1 . . . . . . . . 4700 1 721 . 1 1 71 71 SER CB C 13 64.98 0.11 . 1 . . . . . . . . 4700 1 722 . 1 1 71 71 SER HB3 H 1 3.843 0.011 . 2 . . . . . . . . 4700 1 723 . 1 1 71 71 SER HB2 H 1 4.112 0.006 . 2 . . . . . . . . 4700 1 724 . 1 1 72 72 TYR N N 15 119.08 0.10 . 1 . . . . . . . . 4700 1 725 . 1 1 72 72 TYR H H 1 6.990 0.014 . 1 . . . . . . . . 4700 1 726 . 1 1 72 72 TYR CA C 13 56.41 0.00 . 1 . . . . . . . . 4700 1 727 . 1 1 72 72 TYR HA H 1 4.702 0.000 . 1 . . . . . . . . 4700 1 728 . 1 1 72 72 TYR HB2 H 1 3.246 0.000 . 1 . . . . . . . . 4700 1 729 . 1 1 72 72 TYR HB3 H 1 3.246 0.000 . 1 . . . . . . . . 4700 1 730 . 1 1 72 72 TYR HD1 H 1 6.737 0.010 . 1 . . . . . . . . 4700 1 731 . 1 1 72 72 TYR HD2 H 1 6.737 0.010 . 1 . . . . . . . . 4700 1 732 . 1 1 72 72 TYR CE1 C 13 117.52 0.03 . 1 . . . . . . . . 4700 1 733 . 1 1 72 72 TYR CE2 C 13 117.52 0.03 . 1 . . . . . . . . 4700 1 734 . 1 1 72 72 TYR HE1 H 1 6.560 0.011 . 1 . . . . . . . . 4700 1 735 . 1 1 72 72 TYR HE2 H 1 6.560 0.011 . 1 . . . . . . . . 4700 1 736 . 1 1 73 73 PRO CA C 13 65.83 0.13 . 1 . . . . . . . . 4700 1 737 . 1 1 73 73 PRO HA H 1 4.316 0.002 . 1 . . . . . . . . 4700 1 738 . 1 1 73 73 PRO CB C 13 30.31 0.00 . 1 . . . . . . . . 4700 1 739 . 1 1 73 73 PRO HB2 H 1 2.403 0.000 . 1 . . . . . . . . 4700 1 740 . 1 1 73 73 PRO HB3 H 1 2.403 0.000 . 1 . . . . . . . . 4700 1 741 . 1 1 74 74 GLN N N 15 114.27 0.06 . 1 . . . . . . . . 4700 1 742 . 1 1 74 74 GLN H H 1 9.153 0.006 . 1 . . . . . . . . 4700 1 743 . 1 1 74 74 GLN CA C 13 57.29 0.04 . 1 . . . . . . . . 4700 1 744 . 1 1 74 74 GLN HA H 1 3.861 0.012 . 1 . . . . . . . . 4700 1 745 . 1 1 74 74 GLN CB C 13 25.63 0.05 . 1 . . . . . . . . 4700 1 746 . 1 1 74 74 GLN HB3 H 1 2.300 0.011 . 2 . . . . . . . . 4700 1 747 . 1 1 74 74 GLN HB2 H 1 2.363 0.000 . 2 . . . . . . . . 4700 1 748 . 1 1 74 74 GLN CG C 13 34.89 0.07 . 1 . . . . . . . . 4700 1 749 . 1 1 74 74 GLN HG3 H 1 2.242 0.005 . 2 . . . . . . . . 4700 1 750 . 1 1 74 74 GLN HG2 H 1 2.367 0.007 . 2 . . . . . . . . 4700 1 751 . 1 1 74 74 GLN NE2 N 15 110.84 0.07 . 1 . . . . . . . . 4700 1 752 . 1 1 74 74 GLN HE21 H 1 6.881 0.009 . 2 . . . . . . . . 4700 1 753 . 1 1 74 74 GLN HE22 H 1 7.619 0.009 . 2 . . . . . . . . 4700 1 754 . 1 1 75 75 THR N N 15 116.14 0.06 . 1 . . . . . . . . 4700 1 755 . 1 1 75 75 THR H H 1 7.451 0.004 . 1 . . . . . . . . 4700 1 756 . 1 1 75 75 THR CA C 13 67.08 0.01 . 1 . . . . . . . . 4700 1 757 . 1 1 75 75 THR HA H 1 3.120 0.026 . 1 . . . . . . . . 4700 1 758 . 1 1 75 75 THR CB C 13 68.03 0.00 . 1 . . . . . . . . 4700 1 759 . 1 1 75 75 THR HB H 1 3.618 0.000 . 1 . . . . . . . . 4700 1 760 . 1 1 75 75 THR CG2 C 13 22.60 0.08 . 1 . . . . . . . . 4700 1 761 . 1 1 75 75 THR HG21 H 1 0.048 0.009 . 1 . . . . . . . . 4700 1 762 . 1 1 75 75 THR HG22 H 1 0.048 0.009 . 1 . . . . . . . . 4700 1 763 . 1 1 75 75 THR HG23 H 1 0.048 0.009 . 1 . . . . . . . . 4700 1 764 . 1 1 76 76 ASP N N 15 122.38 0.07 . 1 . . . . . . . . 4700 1 765 . 1 1 76 76 ASP H H 1 8.647 0.007 . 1 . . . . . . . . 4700 1 766 . 1 1 76 76 ASP CA C 13 56.38 0.08 . 1 . . . . . . . . 4700 1 767 . 1 1 76 76 ASP HA H 1 4.989 0.000 . 1 . . . . . . . . 4700 1 768 . 1 1 76 76 ASP CB C 13 43.50 0.00 . 1 . . . . . . . . 4700 1 769 . 1 1 76 76 ASP HB2 H 1 2.756 0.015 . 1 . . . . . . . . 4700 1 770 . 1 1 76 76 ASP HB3 H 1 2.756 0.015 . 1 . . . . . . . . 4700 1 771 . 1 1 77 77 VAL N N 15 115.09 0.08 . 1 . . . . . . . . 4700 1 772 . 1 1 77 77 VAL H H 1 7.641 0.011 . 1 . . . . . . . . 4700 1 773 . 1 1 77 77 VAL CA C 13 60.43 0.03 . 1 . . . . . . . . 4700 1 774 . 1 1 77 77 VAL HA H 1 4.762 0.006 . 1 . . . . . . . . 4700 1 775 . 1 1 77 77 VAL CB C 13 32.90 0.02 . 1 . . . . . . . . 4700 1 776 . 1 1 77 77 VAL HB H 1 2.162 0.013 . 1 . . . . . . . . 4700 1 777 . 1 1 77 77 VAL CG1 C 13 17.37 0.06 . 2 . . . . . . . . 4700 1 778 . 1 1 77 77 VAL HG11 H 1 0.781 0.006 . 2 . . . . . . . . 4700 1 779 . 1 1 77 77 VAL HG12 H 1 0.781 0.006 . 2 . . . . . . . . 4700 1 780 . 1 1 77 77 VAL HG13 H 1 0.781 0.006 . 2 . . . . . . . . 4700 1 781 . 1 1 77 77 VAL CG2 C 13 20.71 0.04 . 2 . . . . . . . . 4700 1 782 . 1 1 77 77 VAL HG21 H 1 0.979 0.005 . 2 . . . . . . . . 4700 1 783 . 1 1 77 77 VAL HG22 H 1 0.979 0.005 . 2 . . . . . . . . 4700 1 784 . 1 1 77 77 VAL HG23 H 1 0.979 0.005 . 2 . . . . . . . . 4700 1 785 . 1 1 78 78 PHE N N 15 121.65 0.02 . 1 . . . . . . . . 4700 1 786 . 1 1 78 78 PHE H H 1 8.474 0.004 . 1 . . . . . . . . 4700 1 787 . 1 1 78 78 PHE CA C 13 56.80 0.10 . 1 . . . . . . . . 4700 1 788 . 1 1 78 78 PHE HA H 1 5.808 0.007 . 1 . . . . . . . . 4700 1 789 . 1 1 78 78 PHE CB C 13 43.53 0.00 . 1 . . . . . . . . 4700 1 790 . 1 1 78 78 PHE HB2 H 1 3.011 0.009 . 1 . . . . . . . . 4700 1 791 . 1 1 78 78 PHE HB3 H 1 3.011 0.009 . 1 . . . . . . . . 4700 1 792 . 1 1 78 78 PHE CD1 C 13 132.32 0.01 . 1 . . . . . . . . 4700 1 793 . 1 1 78 78 PHE CD2 C 13 132.32 0.01 . 1 . . . . . . . . 4700 1 794 . 1 1 78 78 PHE HD1 H 1 7.016 0.014 . 1 . . . . . . . . 4700 1 795 . 1 1 78 78 PHE HD2 H 1 7.016 0.014 . 1 . . . . . . . . 4700 1 796 . 1 1 79 79 LEU N N 15 118.33 0.07 . 1 . . . . . . . . 4700 1 797 . 1 1 79 79 LEU H H 1 9.151 0.013 . 1 . . . . . . . . 4700 1 798 . 1 1 79 79 LEU CA C 13 53.82 0.04 . 1 . . . . . . . . 4700 1 799 . 1 1 79 79 LEU HA H 1 4.784 0.027 . 1 . . . . . . . . 4700 1 800 . 1 1 79 79 LEU HB3 H 1 1.165 0.017 . 2 . . . . . . . . 4700 1 801 . 1 1 79 79 LEU CG C 13 26.49 0.07 . 1 . . . . . . . . 4700 1 802 . 1 1 79 79 LEU HG H 1 1.382 0.008 . 1 . . . . . . . . 4700 1 803 . 1 1 79 79 LEU CD1 C 13 25.12 0.03 . 2 . . . . . . . . 4700 1 804 . 1 1 79 79 LEU HD11 H 1 0.324 0.012 . 2 . . . . . . . . 4700 1 805 . 1 1 79 79 LEU HD12 H 1 0.324 0.012 . 2 . . . . . . . . 4700 1 806 . 1 1 79 79 LEU HD13 H 1 0.324 0.012 . 2 . . . . . . . . 4700 1 807 . 1 1 79 79 LEU CD2 C 13 23.24 0.03 . 2 . . . . . . . . 4700 1 808 . 1 1 79 79 LEU HD21 H 1 0.541 0.013 . 2 . . . . . . . . 4700 1 809 . 1 1 79 79 LEU HD22 H 1 0.541 0.013 . 2 . . . . . . . . 4700 1 810 . 1 1 79 79 LEU HD23 H 1 0.541 0.013 . 2 . . . . . . . . 4700 1 811 . 1 1 80 80 VAL N N 15 124.00 0.07 . 1 . . . . . . . . 4700 1 812 . 1 1 80 80 VAL H H 1 8.883 0.019 . 1 . . . . . . . . 4700 1 813 . 1 1 80 80 VAL CA C 13 61.22 0.08 . 1 . . . . . . . . 4700 1 814 . 1 1 80 80 VAL HA H 1 4.393 0.015 . 1 . . . . . . . . 4700 1 815 . 1 1 80 80 VAL CB C 13 31.09 0.05 . 1 . . . . . . . . 4700 1 816 . 1 1 80 80 VAL HB H 1 2.384 0.013 . 1 . . . . . . . . 4700 1 817 . 1 1 80 80 VAL CG1 C 13 21.14 0.04 . 2 . . . . . . . . 4700 1 818 . 1 1 80 80 VAL HG11 H 1 0.736 0.009 . 2 . . . . . . . . 4700 1 819 . 1 1 80 80 VAL HG12 H 1 0.736 0.009 . 2 . . . . . . . . 4700 1 820 . 1 1 80 80 VAL HG13 H 1 0.736 0.009 . 2 . . . . . . . . 4700 1 821 . 1 1 80 80 VAL CG2 C 13 22.86 0.05 . 2 . . . . . . . . 4700 1 822 . 1 1 80 80 VAL HG21 H 1 0.921 0.014 . 2 . . . . . . . . 4700 1 823 . 1 1 80 80 VAL HG22 H 1 0.921 0.014 . 2 . . . . . . . . 4700 1 824 . 1 1 80 80 VAL HG23 H 1 0.921 0.014 . 2 . . . . . . . . 4700 1 825 . 1 1 81 81 CYS N N 15 122.95 0.07 . 1 . . . . . . . . 4700 1 826 . 1 1 81 81 CYS H H 1 9.068 0.010 . 1 . . . . . . . . 4700 1 827 . 1 1 81 81 CYS CA C 13 57.74 0.07 . 1 . . . . . . . . 4700 1 828 . 1 1 81 81 CYS HA H 1 5.844 0.012 . 1 . . . . . . . . 4700 1 829 . 1 1 81 81 CYS CB C 13 30.56 0.00 . 1 . . . . . . . . 4700 1 830 . 1 1 81 81 CYS HB3 H 1 2.212 0.000 . 2 . . . . . . . . 4700 1 831 . 1 1 81 81 CYS HB2 H 1 2.539 0.000 . 2 . . . . . . . . 4700 1 832 . 1 1 82 82 PHE N N 15 117.02 0.06 . 1 . . . . . . . . 4700 1 833 . 1 1 82 82 PHE H H 1 9.012 0.004 . 1 . . . . . . . . 4700 1 834 . 1 1 82 82 PHE CA C 13 56.49 0.08 . 1 . . . . . . . . 4700 1 835 . 1 1 82 82 PHE HA H 1 4.610 0.018 . 1 . . . . . . . . 4700 1 836 . 1 1 82 82 PHE CB C 13 39.56 0.00 . 1 . . . . . . . . 4700 1 837 . 1 1 82 82 PHE HB3 H 1 2.887 0.000 . 2 . . . . . . . . 4700 1 838 . 1 1 82 82 PHE CD1 C 13 132.77 0.03 . 1 . . . . . . . . 4700 1 839 . 1 1 82 82 PHE CD2 C 13 132.77 0.03 . 1 . . . . . . . . 4700 1 840 . 1 1 82 82 PHE HD1 H 1 7.224 0.015 . 1 . . . . . . . . 4700 1 841 . 1 1 82 82 PHE HD2 H 1 7.224 0.015 . 1 . . . . . . . . 4700 1 842 . 1 1 83 83 SER N N 15 112.53 0.02 . 1 . . . . . . . . 4700 1 843 . 1 1 83 83 SER H H 1 8.170 0.017 . 1 . . . . . . . . 4700 1 844 . 1 1 83 83 SER CA C 13 54.98 0.00 . 1 . . . . . . . . 4700 1 845 . 1 1 83 83 SER HA H 1 5.243 0.017 . 1 . . . . . . . . 4700 1 846 . 1 1 83 83 SER CB C 13 63.18 0.07 . 1 . . . . . . . . 4700 1 847 . 1 1 83 83 SER HB2 H 1 4.091 0.000 . 1 . . . . . . . . 4700 1 848 . 1 1 83 83 SER HB3 H 1 4.091 0.000 . 1 . . . . . . . . 4700 1 849 . 1 1 84 84 VAL N N 15 120.01 0.06 . 1 . . . . . . . . 4700 1 850 . 1 1 84 84 VAL H H 1 8.783 0.017 . 1 . . . . . . . . 4700 1 851 . 1 1 84 84 VAL CA C 13 63.72 0.07 . 1 . . . . . . . . 4700 1 852 . 1 1 84 84 VAL HA H 1 4.332 0.000 . 1 . . . . . . . . 4700 1 853 . 1 1 84 84 VAL CB C 13 30.34 0.08 . 1 . . . . . . . . 4700 1 854 . 1 1 84 84 VAL HB H 1 2.844 0.008 . 1 . . . . . . . . 4700 1 855 . 1 1 84 84 VAL CG1 C 13 20.20 0.02 . 2 . . . . . . . . 4700 1 856 . 1 1 84 84 VAL HG11 H 1 0.933 0.007 . 2 . . . . . . . . 4700 1 857 . 1 1 84 84 VAL HG12 H 1 0.933 0.007 . 2 . . . . . . . . 4700 1 858 . 1 1 84 84 VAL HG13 H 1 0.933 0.007 . 2 . . . . . . . . 4700 1 859 . 1 1 84 84 VAL CG2 C 13 20.54 0.01 . 2 . . . . . . . . 4700 1 860 . 1 1 84 84 VAL HG21 H 1 1.037 0.019 . 2 . . . . . . . . 4700 1 861 . 1 1 84 84 VAL HG22 H 1 1.037 0.019 . 2 . . . . . . . . 4700 1 862 . 1 1 84 84 VAL HG23 H 1 1.037 0.019 . 2 . . . . . . . . 4700 1 863 . 1 1 85 85 VAL N N 15 107.18 0.13 . 1 . . . . . . . . 4700 1 864 . 1 1 85 85 VAL H H 1 7.678 0.009 . 1 . . . . . . . . 4700 1 865 . 1 1 85 85 VAL CA C 13 60.21 0.10 . 1 . . . . . . . . 4700 1 866 . 1 1 85 85 VAL HA H 1 4.524 0.008 . 1 . . . . . . . . 4700 1 867 . 1 1 85 85 VAL CB C 13 30.02 0.03 . 1 . . . . . . . . 4700 1 868 . 1 1 85 85 VAL HB H 1 2.513 0.011 . 1 . . . . . . . . 4700 1 869 . 1 1 85 85 VAL CG1 C 13 21.29 0.02 . 2 . . . . . . . . 4700 1 870 . 1 1 85 85 VAL HG11 H 1 0.704 0.016 . 2 . . . . . . . . 4700 1 871 . 1 1 85 85 VAL HG12 H 1 0.704 0.016 . 2 . . . . . . . . 4700 1 872 . 1 1 85 85 VAL HG13 H 1 0.704 0.016 . 2 . . . . . . . . 4700 1 873 . 1 1 85 85 VAL CG2 C 13 18.38 0.06 . 2 . . . . . . . . 4700 1 874 . 1 1 85 85 VAL HG21 H 1 0.760 0.010 . 2 . . . . . . . . 4700 1 875 . 1 1 85 85 VAL HG22 H 1 0.760 0.010 . 2 . . . . . . . . 4700 1 876 . 1 1 85 85 VAL HG23 H 1 0.760 0.010 . 2 . . . . . . . . 4700 1 877 . 1 1 86 86 SER N N 15 111.60 0.03 . 1 . . . . . . . . 4700 1 878 . 1 1 86 86 SER H H 1 7.858 0.004 . 1 . . . . . . . . 4700 1 879 . 1 1 86 86 SER CA C 13 53.77 0.00 . 1 . . . . . . . . 4700 1 880 . 1 1 86 86 SER HA H 1 5.214 0.017 . 1 . . . . . . . . 4700 1 881 . 1 1 86 86 SER CB C 13 62.62 0.00 . 1 . . . . . . . . 4700 1 882 . 1 1 86 86 SER HB3 H 1 3.815 0.002 . 2 . . . . . . . . 4700 1 883 . 1 1 86 86 SER HB2 H 1 4.206 0.000 . 2 . . . . . . . . 4700 1 884 . 1 1 87 87 PRO CA C 13 65.59 0.11 . 1 . . . . . . . . 4700 1 885 . 1 1 87 87 PRO HA H 1 4.326 0.010 . 1 . . . . . . . . 4700 1 886 . 1 1 87 87 PRO CB C 13 32.24 0.00 . 1 . . . . . . . . 4700 1 887 . 1 1 87 87 PRO HB3 H 1 2.114 0.000 . 2 . . . . . . . . 4700 1 888 . 1 1 87 87 PRO HB2 H 1 2.116 0.000 . 2 . . . . . . . . 4700 1 889 . 1 1 88 88 SER N N 15 112.90 0.02 . 1 . . . . . . . . 4700 1 890 . 1 1 88 88 SER H H 1 9.008 0.006 . 1 . . . . . . . . 4700 1 891 . 1 1 88 88 SER CA C 13 61.55 0.09 . 1 . . . . . . . . 4700 1 892 . 1 1 88 88 SER HA H 1 4.322 0.006 . 1 . . . . . . . . 4700 1 893 . 1 1 88 88 SER CB C 13 61.86 0.00 . 1 . . . . . . . . 4700 1 894 . 1 1 88 88 SER HB2 H 1 3.992 0.007 . 1 . . . . . . . . 4700 1 895 . 1 1 88 88 SER HB3 H 1 3.992 0.007 . 1 . . . . . . . . 4700 1 896 . 1 1 89 89 SER N N 15 119.88 0.07 . 1 . . . . . . . . 4700 1 897 . 1 1 89 89 SER H H 1 8.128 0.006 . 1 . . . . . . . . 4700 1 898 . 1 1 89 89 SER CA C 13 61.41 0.02 . 1 . . . . . . . . 4700 1 899 . 1 1 89 89 SER HA H 1 5.125 0.024 . 1 . . . . . . . . 4700 1 900 . 1 1 89 89 SER CB C 13 63.80 0.00 . 1 . . . . . . . . 4700 1 901 . 1 1 89 89 SER HB2 H 1 4.461 0.000 . 1 . . . . . . . . 4700 1 902 . 1 1 89 89 SER HB3 H 1 4.461 0.000 . 1 . . . . . . . . 4700 1 903 . 1 1 90 90 PHE N N 15 124.51 0.01 . 1 . . . . . . . . 4700 1 904 . 1 1 90 90 PHE H H 1 7.529 0.004 . 1 . . . . . . . . 4700 1 905 . 1 1 90 90 PHE CA C 13 60.13 0.05 . 1 . . . . . . . . 4700 1 906 . 1 1 90 90 PHE HA H 1 3.985 0.018 . 1 . . . . . . . . 4700 1 907 . 1 1 90 90 PHE CB C 13 39.72 0.00 . 1 . . . . . . . . 4700 1 908 . 1 1 90 90 PHE HB3 H 1 2.886 0.008 . 2 . . . . . . . . 4700 1 909 . 1 1 90 90 PHE HB2 H 1 3.369 0.008 . 2 . . . . . . . . 4700 1 910 . 1 1 90 90 PHE HZ H 1 6.848 0.010 . 1 . . . . . . . . 4700 1 911 . 1 1 90 90 PHE CD1 C 13 131.48 0.01 . 1 . . . . . . . . 4700 1 912 . 1 1 90 90 PHE CD2 C 13 131.48 0.01 . 1 . . . . . . . . 4700 1 913 . 1 1 90 90 PHE HD1 H 1 6.077 0.012 . 1 . . . . . . . . 4700 1 914 . 1 1 90 90 PHE HD2 H 1 6.077 0.012 . 1 . . . . . . . . 4700 1 915 . 1 1 90 90 PHE CE1 C 13 129.66 0.04 . 1 . . . . . . . . 4700 1 916 . 1 1 90 90 PHE CE2 C 13 129.66 0.04 . 1 . . . . . . . . 4700 1 917 . 1 1 90 90 PHE HE1 H 1 6.815 0.013 . 1 . . . . . . . . 4700 1 918 . 1 1 90 90 PHE HE2 H 1 6.815 0.013 . 1 . . . . . . . . 4700 1 919 . 1 1 91 91 GLU N N 15 118.52 0.03 . 1 . . . . . . . . 4700 1 920 . 1 1 91 91 GLU H H 1 8.189 0.011 . 1 . . . . . . . . 4700 1 921 . 1 1 91 91 GLU CA C 13 58.80 0.03 . 1 . . . . . . . . 4700 1 922 . 1 1 91 91 GLU HA H 1 3.990 0.005 . 1 . . . . . . . . 4700 1 923 . 1 1 91 91 GLU CB C 13 28.76 0.06 . 1 . . . . . . . . 4700 1 924 . 1 1 91 91 GLU HB3 H 1 2.175 0.013 . 2 . . . . . . . . 4700 1 925 . 1 1 91 91 GLU HB2 H 1 2.243 0.000 . 2 . . . . . . . . 4700 1 926 . 1 1 91 91 GLU CG C 13 35.49 0.02 . 1 . . . . . . . . 4700 1 927 . 1 1 91 91 GLU HG2 H 1 2.434 0.012 . 1 . . . . . . . . 4700 1 928 . 1 1 91 91 GLU HG3 H 1 2.434 0.012 . 1 . . . . . . . . 4700 1 929 . 1 1 92 92 ASN N N 15 113.68 0.04 . 1 . . . . . . . . 4700 1 930 . 1 1 92 92 ASN H H 1 8.191 0.010 . 1 . . . . . . . . 4700 1 931 . 1 1 92 92 ASN CA C 13 54.75 0.04 . 1 . . . . . . . . 4700 1 932 . 1 1 92 92 ASN HA H 1 4.824 0.000 . 1 . . . . . . . . 4700 1 933 . 1 1 92 92 ASN CB C 13 38.07 0.00 . 1 . . . . . . . . 4700 1 934 . 1 1 92 92 ASN HB3 H 1 2.902 0.015 . 2 . . . . . . . . 4700 1 935 . 1 1 92 92 ASN HB2 H 1 3.370 0.003 . 2 . . . . . . . . 4700 1 936 . 1 1 92 92 ASN ND2 N 15 115.45 0.08 . 1 . . . . . . . . 4700 1 937 . 1 1 92 92 ASN HD21 H 1 6.807 0.012 . 2 . . . . . . . . 4700 1 938 . 1 1 92 92 ASN HD22 H 1 10.332 0.004 . 2 . . . . . . . . 4700 1 939 . 1 1 93 93 VAL N N 15 123.07 0.05 . 1 . . . . . . . . 4700 1 940 . 1 1 93 93 VAL H H 1 7.927 0.009 . 1 . . . . . . . . 4700 1 941 . 1 1 93 93 VAL CA C 13 68.34 0.14 . 1 . . . . . . . . 4700 1 942 . 1 1 93 93 VAL HA H 1 3.815 0.007 . 1 . . . . . . . . 4700 1 943 . 1 1 93 93 VAL CB C 13 30.83 0.01 . 1 . . . . . . . . 4700 1 944 . 1 1 93 93 VAL HB H 1 2.360 0.011 . 1 . . . . . . . . 4700 1 945 . 1 1 93 93 VAL CG1 C 13 22.59 0.07 . 2 . . . . . . . . 4700 1 946 . 1 1 93 93 VAL HG11 H 1 0.893 0.010 . 2 . . . . . . . . 4700 1 947 . 1 1 93 93 VAL HG12 H 1 0.893 0.010 . 2 . . . . . . . . 4700 1 948 . 1 1 93 93 VAL HG13 H 1 0.893 0.010 . 2 . . . . . . . . 4700 1 949 . 1 1 93 93 VAL CG2 C 13 22.73 0.07 . 2 . . . . . . . . 4700 1 950 . 1 1 93 93 VAL HG21 H 1 1.307 0.008 . 2 . . . . . . . . 4700 1 951 . 1 1 93 93 VAL HG22 H 1 1.307 0.008 . 2 . . . . . . . . 4700 1 952 . 1 1 93 93 VAL HG23 H 1 1.307 0.008 . 2 . . . . . . . . 4700 1 953 . 1 1 94 94 LYS N N 15 114.32 0.02 . 1 . . . . . . . . 4700 1 954 . 1 1 94 94 LYS H H 1 6.680 0.006 . 1 . . . . . . . . 4700 1 955 . 1 1 94 94 LYS CA C 13 58.03 0.07 . 1 . . . . . . . . 4700 1 956 . 1 1 94 94 LYS HA H 1 3.972 0.011 . 1 . . . . . . . . 4700 1 957 . 1 1 94 94 LYS CB C 13 33.43 0.03 . 1 . . . . . . . . 4700 1 958 . 1 1 94 94 LYS HB3 H 1 1.727 0.013 . 2 . . . . . . . . 4700 1 959 . 1 1 94 94 LYS HB2 H 1 1.938 0.008 . 2 . . . . . . . . 4700 1 960 . 1 1 94 94 LYS CG C 13 24.55 0.05 . 1 . . . . . . . . 4700 1 961 . 1 1 94 94 LYS CD C 13 29.28 0.03 . 1 . . . . . . . . 4700 1 962 . 1 1 94 94 LYS CE C 13 41.65 0.05 . 1 . . . . . . . . 4700 1 963 . 1 1 94 94 LYS HG2 H 1 1.343 0.008 . 1 . . . . . . . . 4700 1 964 . 1 1 94 94 LYS HG3 H 1 1.343 0.008 . 1 . . . . . . . . 4700 1 965 . 1 1 94 94 LYS HD2 H 1 1.628 0.007 . 1 . . . . . . . . 4700 1 966 . 1 1 94 94 LYS HD3 H 1 1.628 0.007 . 1 . . . . . . . . 4700 1 967 . 1 1 94 94 LYS HE2 H 1 2.885 0.009 . 1 . . . . . . . . 4700 1 968 . 1 1 94 94 LYS HE3 H 1 2.885 0.009 . 1 . . . . . . . . 4700 1 969 . 1 1 95 95 GLU N N 15 111.89 0.05 . 1 . . . . . . . . 4700 1 970 . 1 1 95 95 GLU H H 1 7.739 0.009 . 1 . . . . . . . . 4700 1 971 . 1 1 95 95 GLU CA C 13 57.51 0.08 . 1 . . . . . . . . 4700 1 972 . 1 1 95 95 GLU HA H 1 4.140 0.008 . 1 . . . . . . . . 4700 1 973 . 1 1 95 95 GLU CB C 13 30.52 0.04 . 1 . . . . . . . . 4700 1 974 . 1 1 95 95 GLU HB3 H 1 1.866 0.012 . 2 . . . . . . . . 4700 1 975 . 1 1 95 95 GLU HB2 H 1 2.125 0.007 . 2 . . . . . . . . 4700 1 976 . 1 1 95 95 GLU CG C 13 35.44 0.04 . 1 . . . . . . . . 4700 1 977 . 1 1 95 95 GLU HG3 H 1 2.279 0.005 . 2 . . . . . . . . 4700 1 978 . 1 1 95 95 GLU HG2 H 1 2.350 0.013 . 2 . . . . . . . . 4700 1 979 . 1 1 96 96 LYS N N 15 114.99 0.04 . 1 . . . . . . . . 4700 1 980 . 1 1 96 96 LYS H H 1 8.179 0.006 . 1 . . . . . . . . 4700 1 981 . 1 1 96 96 LYS CA C 13 57.49 0.03 . 1 . . . . . . . . 4700 1 982 . 1 1 96 96 LYS HA H 1 4.345 0.012 . 1 . . . . . . . . 4700 1 983 . 1 1 96 96 LYS CB C 13 35.29 0.12 . 1 . . . . . . . . 4700 1 984 . 1 1 96 96 LYS HB3 H 1 0.980 0.017 . 2 . . . . . . . . 4700 1 985 . 1 1 96 96 LYS HB2 H 1 1.275 0.018 . 2 . . . . . . . . 4700 1 986 . 1 1 96 96 LYS CG C 13 24.80 0.08 . 1 . . . . . . . . 4700 1 987 . 1 1 96 96 LYS HG2 H 1 0.661 0.026 . 2 . . . . . . . . 4700 1 988 . 1 1 96 96 LYS CD C 13 29.54 0.01 . 1 . . . . . . . . 4700 1 989 . 1 1 96 96 LYS HD3 H 1 0.689 0.016 . 2 . . . . . . . . 4700 1 990 . 1 1 96 96 LYS HD2 H 1 1.001 0.005 . 2 . . . . . . . . 4700 1 991 . 1 1 96 96 LYS CE C 13 41.42 0.00 . 1 . . . . . . . . 4700 1 992 . 1 1 96 96 LYS HE3 H 1 2.065 0.006 . 2 . . . . . . . . 4700 1 993 . 1 1 96 96 LYS HE2 H 1 2.329 0.024 . 2 . . . . . . . . 4700 1 994 . 1 1 97 97 TRP N N 15 118.91 0.04 . 1 . . . . . . . . 4700 1 995 . 1 1 97 97 TRP H H 1 7.762 0.005 . 1 . . . . . . . . 4700 1 996 . 1 1 97 97 TRP CA C 13 60.91 0.05 . 1 . . . . . . . . 4700 1 997 . 1 1 97 97 TRP HB3 H 1 3.012 0.009 . 2 . . . . . . . . 4700 1 998 . 1 1 97 97 TRP CD1 C 13 125.85 0.00 . 1 . . . . . . . . 4700 1 999 . 1 1 97 97 TRP HD1 H 1 6.755 0.005 . 1 . . . . . . . . 4700 1 1000 . 1 1 97 97 TRP NE1 N 15 132.30 0.06 . 1 . . . . . . . . 4700 1 1001 . 1 1 97 97 TRP HE1 H 1 11.702 0.004 . 1 . . . . . . . . 4700 1 1002 . 1 1 97 97 TRP CZ2 C 13 116.00 0.00 . 1 . . . . . . . . 4700 1 1003 . 1 1 97 97 TRP HZ2 H 1 7.695 0.001 . 1 . . . . . . . . 4700 1 1004 . 1 1 98 98 VAL N N 15 115.68 0.04 . 1 . . . . . . . . 4700 1 1005 . 1 1 98 98 VAL H H 1 8.682 0.013 . 1 . . . . . . . . 4700 1 1006 . 1 1 98 98 VAL CA C 13 68.14 0.12 . 1 . . . . . . . . 4700 1 1007 . 1 1 98 98 VAL HA H 1 3.588 0.025 . 1 . . . . . . . . 4700 1 1008 . 1 1 98 98 VAL CB C 13 28.65 0.00 . 1 . . . . . . . . 4700 1 1009 . 1 1 98 98 VAL HB H 1 2.206 0.009 . 1 . . . . . . . . 4700 1 1010 . 1 1 98 98 VAL CG1 C 13 25.31 0.07 . 2 . . . . . . . . 4700 1 1011 . 1 1 98 98 VAL HG11 H 1 0.694 0.002 . 1 . . . . . . . . 4700 1 1012 . 1 1 98 98 VAL HG12 H 1 0.694 0.002 . 1 . . . . . . . . 4700 1 1013 . 1 1 98 98 VAL HG13 H 1 0.694 0.002 . 1 . . . . . . . . 4700 1 1014 . 1 1 98 98 VAL CG2 C 13 21.54 0.03 . 2 . . . . . . . . 4700 1 1015 . 1 1 98 98 VAL HG21 H 1 0.778 0.014 . 1 . . . . . . . . 4700 1 1016 . 1 1 98 98 VAL HG22 H 1 0.778 0.014 . 1 . . . . . . . . 4700 1 1017 . 1 1 98 98 VAL HG23 H 1 0.778 0.014 . 1 . . . . . . . . 4700 1 1018 . 1 1 99 99 PRO CA C 13 66.78 0.00 . 1 . . . . . . . . 4700 1 1019 . 1 1 99 99 PRO CB C 13 30.44 0.00 . 1 . . . . . . . . 4700 1 1020 . 1 1 99 99 PRO HD2 H 1 3.500 0.000 . 1 . . . . . . . . 4700 1 1021 . 1 1 99 99 PRO HD3 H 1 3.500 0.000 . 1 . . . . . . . . 4700 1 1022 . 1 1 100 100 GLU N N 15 115.90 0.02 . 1 . . . . . . . . 4700 1 1023 . 1 1 100 100 GLU H H 1 7.592 0.004 . 1 . . . . . . . . 4700 1 1024 . 1 1 100 100 GLU CA C 13 60.83 0.02 . 1 . . . . . . . . 4700 1 1025 . 1 1 100 100 GLU HA H 1 4.227 0.010 . 1 . . . . . . . . 4700 1 1026 . 1 1 100 100 GLU CB C 13 29.98 0.00 . 1 . . . . . . . . 4700 1 1027 . 1 1 100 100 GLU HB2 H 1 2.276 0.022 . 1 . . . . . . . . 4700 1 1028 . 1 1 100 100 GLU HB3 H 1 2.276 0.022 . 1 . . . . . . . . 4700 1 1029 . 1 1 100 100 GLU HG2 H 1 2.536 0.002 . 1 . . . . . . . . 4700 1 1030 . 1 1 100 100 GLU HG3 H 1 2.536 0.002 . 1 . . . . . . . . 4700 1 1031 . 1 1 101 101 ILE N N 15 112.48 0.05 . 1 . . . . . . . . 4700 1 1032 . 1 1 101 101 ILE H H 1 8.300 0.008 . 1 . . . . . . . . 4700 1 1033 . 1 1 101 101 ILE CA C 13 65.87 0.12 . 1 . . . . . . . . 4700 1 1034 . 1 1 101 101 ILE HA H 1 3.556 0.015 . 1 . . . . . . . . 4700 1 1035 . 1 1 101 101 ILE CB C 13 36.09 0.00 . 1 . . . . . . . . 4700 1 1036 . 1 1 101 101 ILE HB H 1 0.408 0.006 . 1 . . . . . . . . 4700 1 1037 . 1 1 101 101 ILE CG1 C 13 25.19 0.00 . 1 . . . . . . . . 4700 1 1038 . 1 1 101 101 ILE HG13 H 1 1.034 0.012 . 2 . . . . . . . . 4700 1 1039 . 1 1 101 101 ILE HG12 H 1 1.167 0.001 . 2 . . . . . . . . 4700 1 1040 . 1 1 101 101 ILE CG2 C 13 18.56 0.04 . 1 . . . . . . . . 4700 1 1041 . 1 1 101 101 ILE HG21 H 1 0.217 0.008 . 1 . . . . . . . . 4700 1 1042 . 1 1 101 101 ILE HG22 H 1 0.217 0.008 . 1 . . . . . . . . 4700 1 1043 . 1 1 101 101 ILE HG23 H 1 0.217 0.008 . 1 . . . . . . . . 4700 1 1044 . 1 1 101 101 ILE CD1 C 13 14.24 0.04 . 1 . . . . . . . . 4700 1 1045 . 1 1 102 102 THR N N 15 111.85 0.08 . 1 . . . . . . . . 4700 1 1046 . 1 1 102 102 THR H H 1 7.940 0.006 . 1 . . . . . . . . 4700 1 1047 . 1 1 102 102 THR CA C 13 64.76 0.08 . 1 . . . . . . . . 4700 1 1048 . 1 1 102 102 THR HA H 1 3.831 0.014 . 1 . . . . . . . . 4700 1 1049 . 1 1 102 102 THR CB C 13 69.46 0.06 . 1 . . . . . . . . 4700 1 1050 . 1 1 102 102 THR HB H 1 4.214 0.021 . 1 . . . . . . . . 4700 1 1051 . 1 1 102 102 THR CG2 C 13 21.74 0.12 . 1 . . . . . . . . 4700 1 1052 . 1 1 102 102 THR HG21 H 1 1.282 0.009 . 1 . . . . . . . . 4700 1 1053 . 1 1 102 102 THR HG22 H 1 1.282 0.009 . 1 . . . . . . . . 4700 1 1054 . 1 1 102 102 THR HG23 H 1 1.282 0.009 . 1 . . . . . . . . 4700 1 1055 . 1 1 103 103 HIS N N 15 117.89 0.08 . 1 . . . . . . . . 4700 1 1056 . 1 1 103 103 HIS H H 1 7.672 0.009 . 1 . . . . . . . . 4700 1 1057 . 1 1 103 103 HIS CA C 13 58.28 0.05 . 1 . . . . . . . . 4700 1 1058 . 1 1 103 103 HIS HA H 1 4.324 0.011 . 1 . . . . . . . . 4700 1 1059 . 1 1 103 103 HIS CB C 13 28.43 0.00 . 1 . . . . . . . . 4700 1 1060 . 1 1 103 103 HIS CD2 C 13 118.89 0.07 . 1 . . . . . . . . 4700 1 1061 . 1 1 103 103 HIS HD2 H 1 5.979 0.011 . 1 . . . . . . . . 4700 1 1062 . 1 1 103 103 HIS CE1 C 13 136.92 0.00 . 1 . . . . . . . . 4700 1 1063 . 1 1 103 103 HIS HE1 H 1 8.370 0.025 . 1 . . . . . . . . 4700 1 1064 . 1 1 103 103 HIS HB2 H 1 3.312 0.010 . 1 . . . . . . . . 4700 1 1065 . 1 1 103 103 HIS HB3 H 1 3.312 0.010 . 1 . . . . . . . . 4700 1 1066 . 1 1 104 104 HIS N N 15 112.92 0.02 . 1 . . . . . . . . 4700 1 1067 . 1 1 104 104 HIS H H 1 7.271 0.004 . 1 . . . . . . . . 4700 1 1068 . 1 1 104 104 HIS CA C 13 59.48 0.04 . 1 . . . . . . . . 4700 1 1069 . 1 1 104 104 HIS HA H 1 4.294 0.014 . 1 . . . . . . . . 4700 1 1070 . 1 1 104 104 HIS CB C 13 33.56 0.00 . 1 . . . . . . . . 4700 1 1071 . 1 1 104 104 HIS HB3 H 1 3.041 0.000 . 2 . . . . . . . . 4700 1 1072 . 1 1 104 104 HIS HB2 H 1 3.559 0.000 . 2 . . . . . . . . 4700 1 1073 . 1 1 105 105 CYS N N 15 116.44 0.02 . 1 . . . . . . . . 4700 1 1074 . 1 1 105 105 CYS H H 1 8.559 0.005 . 1 . . . . . . . . 4700 1 1075 . 1 1 105 105 CYS CA C 13 56.23 0.00 . 1 . . . . . . . . 4700 1 1076 . 1 1 105 105 CYS HA H 1 5.057 0.010 . 1 . . . . . . . . 4700 1 1077 . 1 1 105 105 CYS HB3 H 1 3.035 0.031 . 2 . . . . . . . . 4700 1 1078 . 1 1 105 105 CYS HB2 H 1 3.589 0.025 . 2 . . . . . . . . 4700 1 1079 . 1 1 106 106 PRO CA C 13 64.70 0.09 . 1 . . . . . . . . 4700 1 1080 . 1 1 106 106 PRO HA H 1 4.552 0.010 . 1 . . . . . . . . 4700 1 1081 . 1 1 106 106 PRO CB C 13 32.11 0.00 . 1 . . . . . . . . 4700 1 1082 . 1 1 106 106 PRO HB3 H 1 1.997 0.000 . 2 . . . . . . . . 4700 1 1083 . 1 1 106 106 PRO HB2 H 1 2.578 0.014 . 2 . . . . . . . . 4700 1 1084 . 1 1 107 107 LYS N N 15 115.28 0.01 . 1 . . . . . . . . 4700 1 1085 . 1 1 107 107 LYS H H 1 8.863 0.012 . 1 . . . . . . . . 4700 1 1086 . 1 1 107 107 LYS CA C 13 55.69 0.09 . 1 . . . . . . . . 4700 1 1087 . 1 1 107 107 LYS HA H 1 4.459 0.013 . 1 . . . . . . . . 4700 1 1088 . 1 1 107 107 LYS CB C 13 31.82 0.08 . 1 . . . . . . . . 4700 1 1089 . 1 1 107 107 LYS HB3 H 1 1.948 0.016 . 2 . . . . . . . . 4700 1 1090 . 1 1 107 107 LYS HB2 H 1 2.110 0.020 . 2 . . . . . . . . 4700 1 1091 . 1 1 107 107 LYS CG C 13 25.02 0.07 . 1 . . . . . . . . 4700 1 1092 . 1 1 107 107 LYS CD C 13 28.75 0.00 . 1 . . . . . . . . 4700 1 1093 . 1 1 107 107 LYS CE C 13 42.08 0.01 . 1 . . . . . . . . 4700 1 1094 . 1 1 107 107 LYS HG2 H 1 1.478 0.008 . 1 . . . . . . . . 4700 1 1095 . 1 1 107 107 LYS HG3 H 1 1.478 0.008 . 1 . . . . . . . . 4700 1 1096 . 1 1 107 107 LYS HD2 H 1 1.759 0.022 . 1 . . . . . . . . 4700 1 1097 . 1 1 107 107 LYS HD3 H 1 1.759 0.022 . 1 . . . . . . . . 4700 1 1098 . 1 1 107 107 LYS HE2 H 1 3.052 0.006 . 1 . . . . . . . . 4700 1 1099 . 1 1 107 107 LYS HE3 H 1 3.052 0.006 . 1 . . . . . . . . 4700 1 1100 . 1 1 108 108 THR N N 15 119.32 0.01 . 1 . . . . . . . . 4700 1 1101 . 1 1 108 108 THR H H 1 7.588 0.004 . 1 . . . . . . . . 4700 1 1102 . 1 1 108 108 THR CA C 13 61.37 0.00 . 1 . . . . . . . . 4700 1 1103 . 1 1 108 108 THR HA H 1 4.782 0.009 . 1 . . . . . . . . 4700 1 1104 . 1 1 108 108 THR HB H 1 4.138 0.015 . 1 . . . . . . . . 4700 1 1105 . 1 1 108 108 THR CG2 C 13 22.02 0.04 . 1 . . . . . . . . 4700 1 1106 . 1 1 108 108 THR HG21 H 1 1.366 0.015 . 1 . . . . . . . . 4700 1 1107 . 1 1 108 108 THR HG22 H 1 1.366 0.015 . 1 . . . . . . . . 4700 1 1108 . 1 1 108 108 THR HG23 H 1 1.366 0.015 . 1 . . . . . . . . 4700 1 1109 . 1 1 109 109 PRO CA C 13 62.71 0.01 . 1 . . . . . . . . 4700 1 1110 . 1 1 109 109 PRO HA H 1 4.629 0.015 . 1 . . . . . . . . 4700 1 1111 . 1 1 109 109 PRO CB C 13 33.38 0.02 . 1 . . . . . . . . 4700 1 1112 . 1 1 109 109 PRO HB3 H 1 1.786 0.017 . 2 . . . . . . . . 4700 1 1113 . 1 1 109 109 PRO HB2 H 1 2.349 0.002 . 2 . . . . . . . . 4700 1 1114 . 1 1 109 109 PRO HG2 H 1 2.184 0.016 . 1 . . . . . . . . 4700 1 1115 . 1 1 109 109 PRO HG3 H 1 2.184 0.016 . 1 . . . . . . . . 4700 1 1116 . 1 1 110 110 PHE N N 15 112.22 0.07 . 1 . . . . . . . . 4700 1 1117 . 1 1 110 110 PHE H H 1 8.292 0.007 . 1 . . . . . . . . 4700 1 1118 . 1 1 110 110 PHE CA C 13 54.90 0.37 . 1 . . . . . . . . 4700 1 1119 . 1 1 110 110 PHE HA H 1 6.026 0.003 . 1 . . . . . . . . 4700 1 1120 . 1 1 110 110 PHE CB C 13 44.01 0.00 . 1 . . . . . . . . 4700 1 1121 . 1 1 110 110 PHE HB3 H 1 2.923 0.000 . 2 . . . . . . . . 4700 1 1122 . 1 1 110 110 PHE HB2 H 1 3.033 0.015 . 2 . . . . . . . . 4700 1 1123 . 1 1 110 110 PHE HZ H 1 7.307 0.000 . 1 . . . . . . . . 4700 1 1124 . 1 1 110 110 PHE CD1 C 13 132.67 0.03 . 1 . . . . . . . . 4700 1 1125 . 1 1 110 110 PHE CD2 C 13 132.67 0.03 . 1 . . . . . . . . 4700 1 1126 . 1 1 110 110 PHE HD1 H 1 7.046 0.015 . 1 . . . . . . . . 4700 1 1127 . 1 1 110 110 PHE HD2 H 1 7.046 0.015 . 1 . . . . . . . . 4700 1 1128 . 1 1 110 110 PHE HE1 H 1 7.040 0.000 . 1 . . . . . . . . 4700 1 1129 . 1 1 110 110 PHE HE2 H 1 7.040 0.000 . 1 . . . . . . . . 4700 1 1130 . 1 1 111 111 LEU N N 15 120.07 0.07 . 1 . . . . . . . . 4700 1 1131 . 1 1 111 111 LEU H H 1 8.788 0.006 . 1 . . . . . . . . 4700 1 1132 . 1 1 111 111 LEU CA C 13 54.59 0.10 . 1 . . . . . . . . 4700 1 1133 . 1 1 111 111 LEU HA H 1 4.754 0.010 . 1 . . . . . . . . 4700 1 1134 . 1 1 111 111 LEU CB C 13 43.76 0.00 . 1 . . . . . . . . 4700 1 1135 . 1 1 111 111 LEU HB3 H 1 1.359 0.000 . 2 . . . . . . . . 4700 1 1136 . 1 1 111 111 LEU HB2 H 1 1.517 0.000 . 2 . . . . . . . . 4700 1 1137 . 1 1 111 111 LEU CG C 13 30.51 0.05 . 1 . . . . . . . . 4700 1 1138 . 1 1 111 111 LEU HG H 1 1.507 0.006 . 1 . . . . . . . . 4700 1 1139 . 1 1 111 111 LEU CD1 C 13 24.87 0.04 . 2 . . . . . . . . 4700 1 1140 . 1 1 111 111 LEU HD11 H 1 0.681 0.007 . 2 . . . . . . . . 4700 1 1141 . 1 1 111 111 LEU HD12 H 1 0.681 0.007 . 2 . . . . . . . . 4700 1 1142 . 1 1 111 111 LEU HD13 H 1 0.681 0.007 . 2 . . . . . . . . 4700 1 1143 . 1 1 111 111 LEU CD2 C 13 26.41 0.02 . 2 . . . . . . . . 4700 1 1144 . 1 1 111 111 LEU HD21 H 1 0.630 0.001 . 2 . . . . . . . . 4700 1 1145 . 1 1 111 111 LEU HD22 H 1 0.630 0.001 . 2 . . . . . . . . 4700 1 1146 . 1 1 111 111 LEU HD23 H 1 0.630 0.001 . 2 . . . . . . . . 4700 1 1147 . 1 1 112 112 LEU N N 15 121.33 0.02 . 1 . . . . . . . . 4700 1 1148 . 1 1 112 112 LEU H H 1 8.127 0.007 . 1 . . . . . . . . 4700 1 1149 . 1 1 112 112 LEU CA C 13 53.61 0.08 . 1 . . . . . . . . 4700 1 1150 . 1 1 112 112 LEU HA H 1 5.431 0.012 . 1 . . . . . . . . 4700 1 1151 . 1 1 112 112 LEU CB C 13 44.37 0.10 . 1 . . . . . . . . 4700 1 1152 . 1 1 112 112 LEU HB3 H 1 1.556 0.011 . 2 . . . . . . . . 4700 1 1153 . 1 1 112 112 LEU HB2 H 1 2.184 0.012 . 2 . . . . . . . . 4700 1 1154 . 1 1 112 112 LEU CG C 13 27.99 0.04 . 1 . . . . . . . . 4700 1 1155 . 1 1 112 112 LEU HG H 1 2.093 0.013 . 1 . . . . . . . . 4700 1 1156 . 1 1 112 112 LEU CD1 C 13 25.86 0.06 . 2 . . . . . . . . 4700 1 1157 . 1 1 112 112 LEU HD11 H 1 1.118 0.014 . 2 . . . . . . . . 4700 1 1158 . 1 1 112 112 LEU HD12 H 1 1.118 0.014 . 2 . . . . . . . . 4700 1 1159 . 1 1 112 112 LEU HD13 H 1 1.118 0.014 . 2 . . . . . . . . 4700 1 1160 . 1 1 112 112 LEU CD2 C 13 25.61 0.04 . 2 . . . . . . . . 4700 1 1161 . 1 1 112 112 LEU HD21 H 1 1.262 0.011 . 2 . . . . . . . . 4700 1 1162 . 1 1 112 112 LEU HD22 H 1 1.262 0.011 . 2 . . . . . . . . 4700 1 1163 . 1 1 112 112 LEU HD23 H 1 1.262 0.011 . 2 . . . . . . . . 4700 1 1164 . 1 1 113 113 VAL N N 15 125.19 0.06 . 1 . . . . . . . . 4700 1 1165 . 1 1 113 113 VAL H H 1 9.328 0.011 . 1 . . . . . . . . 4700 1 1166 . 1 1 113 113 VAL CA C 13 59.60 0.10 . 1 . . . . . . . . 4700 1 1167 . 1 1 113 113 VAL HA H 1 4.958 0.022 . 1 . . . . . . . . 4700 1 1168 . 1 1 113 113 VAL CB C 13 33.91 0.08 . 1 . . . . . . . . 4700 1 1169 . 1 1 113 113 VAL HB H 1 2.176 0.013 . 1 . . . . . . . . 4700 1 1170 . 1 1 113 113 VAL CG1 C 13 20.80 0.05 . 2 . . . . . . . . 4700 1 1171 . 1 1 113 113 VAL HG11 H 1 0.496 0.014 . 2 . . . . . . . . 4700 1 1172 . 1 1 113 113 VAL HG12 H 1 0.496 0.014 . 2 . . . . . . . . 4700 1 1173 . 1 1 113 113 VAL HG13 H 1 0.496 0.014 . 2 . . . . . . . . 4700 1 1174 . 1 1 113 113 VAL CG2 C 13 21.73 0.04 . 2 . . . . . . . . 4700 1 1175 . 1 1 113 113 VAL HG21 H 1 0.558 0.015 . 2 . . . . . . . . 4700 1 1176 . 1 1 113 113 VAL HG22 H 1 0.558 0.015 . 2 . . . . . . . . 4700 1 1177 . 1 1 113 113 VAL HG23 H 1 0.558 0.015 . 2 . . . . . . . . 4700 1 1178 . 1 1 114 114 GLY N N 15 114.41 0.06 . 1 . . . . . . . . 4700 1 1179 . 1 1 114 114 GLY H H 1 8.853 0.005 . 1 . . . . . . . . 4700 1 1180 . 1 1 114 114 GLY CA C 13 44.08 0.06 . 1 . . . . . . . . 4700 1 1181 . 1 1 114 114 GLY HA3 H 1 3.345 0.000 . 2 . . . . . . . . 4700 1 1182 . 1 1 114 114 GLY HA2 H 1 3.760 0.000 . 2 . . . . . . . . 4700 1 1183 . 1 1 115 115 THR N N 15 114.86 0.05 . 1 . . . . . . . . 4700 1 1184 . 1 1 115 115 THR H H 1 9.269 0.011 . 1 . . . . . . . . 4700 1 1185 . 1 1 115 115 THR CA C 13 59.25 0.04 . 1 . . . . . . . . 4700 1 1186 . 1 1 115 115 THR HA H 1 5.066 0.017 . 1 . . . . . . . . 4700 1 1187 . 1 1 115 115 THR CB C 13 70.75 0.00 . 1 . . . . . . . . 4700 1 1188 . 1 1 115 115 THR CG2 C 13 22.63 0.00 . 1 . . . . . . . . 4700 1 1189 . 1 1 115 115 THR HG21 H 1 0.708 0.015 . 1 . . . . . . . . 4700 1 1190 . 1 1 115 115 THR HG22 H 1 0.708 0.015 . 1 . . . . . . . . 4700 1 1191 . 1 1 115 115 THR HG23 H 1 0.708 0.015 . 1 . . . . . . . . 4700 1 1192 . 1 1 116 116 GLN N N 15 107.83 0.05 . 1 . . . . . . . . 4700 1 1193 . 1 1 116 116 GLN H H 1 9.533 0.009 . 1 . . . . . . . . 4700 1 1194 . 1 1 116 116 GLN CA C 13 56.42 0.00 . 1 . . . . . . . . 4700 1 1195 . 1 1 116 116 GLN HA H 1 4.097 0.004 . 1 . . . . . . . . 4700 1 1196 . 1 1 116 116 GLN CB C 13 24.20 0.00 . 1 . . . . . . . . 4700 1 1197 . 1 1 117 117 ILE N N 15 105.47 0.06 . 1 . . . . . . . . 4700 1 1198 . 1 1 117 117 ILE H H 1 7.738 0.008 . 1 . . . . . . . . 4700 1 1199 . 1 1 117 117 ILE CA C 13 64.70 0.03 . 1 . . . . . . . . 4700 1 1200 . 1 1 117 117 ILE HA H 1 3.899 0.015 . 1 . . . . . . . . 4700 1 1201 . 1 1 117 117 ILE CB C 13 36.54 0.06 . 1 . . . . . . . . 4700 1 1202 . 1 1 117 117 ILE HB H 1 2.081 0.012 . 1 . . . . . . . . 4700 1 1203 . 1 1 117 117 ILE CG1 C 13 25.16 0.06 . 1 . . . . . . . . 4700 1 1204 . 1 1 117 117 ILE CG2 C 13 16.54 0.03 . 1 . . . . . . . . 4700 1 1205 . 1 1 117 117 ILE HG21 H 1 0.858 0.013 . 1 . . . . . . . . 4700 1 1206 . 1 1 117 117 ILE HG22 H 1 0.858 0.013 . 1 . . . . . . . . 4700 1 1207 . 1 1 117 117 ILE HG23 H 1 0.858 0.013 . 1 . . . . . . . . 4700 1 1208 . 1 1 117 117 ILE CD1 C 13 13.23 0.03 . 1 . . . . . . . . 4700 1 1209 . 1 1 117 117 ILE HD11 H 1 0.595 0.012 . 1 . . . . . . . . 4700 1 1210 . 1 1 117 117 ILE HD12 H 1 0.595 0.012 . 1 . . . . . . . . 4700 1 1211 . 1 1 117 117 ILE HD13 H 1 0.595 0.012 . 1 . . . . . . . . 4700 1 1212 . 1 1 117 117 ILE HG12 H 1 1.254 0.008 . 1 . . . . . . . . 4700 1 1213 . 1 1 117 117 ILE HG13 H 1 1.254 0.008 . 1 . . . . . . . . 4700 1 1214 . 1 1 118 118 ASP N N 15 118.15 0.03 . 1 . . . . . . . . 4700 1 1215 . 1 1 118 118 ASP H H 1 8.828 0.008 . 1 . . . . . . . . 4700 1 1216 . 1 1 118 118 ASP CA C 13 55.40 0.03 . 1 . . . . . . . . 4700 1 1217 . 1 1 118 118 ASP HA H 1 4.531 0.004 . 1 . . . . . . . . 4700 1 1218 . 1 1 118 118 ASP CB C 13 40.37 0.00 . 1 . . . . . . . . 4700 1 1219 . 1 1 118 118 ASP HB2 H 1 2.728 0.012 . 1 . . . . . . . . 4700 1 1220 . 1 1 118 118 ASP HB3 H 1 2.728 0.012 . 1 . . . . . . . . 4700 1 1221 . 1 1 119 119 LEU N N 15 116.99 0.07 . 1 . . . . . . . . 4700 1 1222 . 1 1 119 119 LEU H H 1 7.988 0.007 . 1 . . . . . . . . 4700 1 1223 . 1 1 119 119 LEU CA C 13 55.30 0.02 . 1 . . . . . . . . 4700 1 1224 . 1 1 119 119 LEU HA H 1 4.441 0.017 . 1 . . . . . . . . 4700 1 1225 . 1 1 119 119 LEU CB C 13 41.97 0.00 . 1 . . . . . . . . 4700 1 1226 . 1 1 119 119 LEU CG C 13 26.54 0.00 . 1 . . . . . . . . 4700 1 1227 . 1 1 119 119 LEU HG H 1 1.678 0.015 . 1 . . . . . . . . 4700 1 1228 . 1 1 119 119 LEU CD1 C 13 21.37 0.04 . 2 . . . . . . . . 4700 1 1229 . 1 1 119 119 LEU HD11 H 1 0.825 0.007 . 2 . . . . . . . . 4700 1 1230 . 1 1 119 119 LEU HD12 H 1 0.825 0.007 . 2 . . . . . . . . 4700 1 1231 . 1 1 119 119 LEU HD13 H 1 0.825 0.007 . 2 . . . . . . . . 4700 1 1232 . 1 1 119 119 LEU CD2 C 13 25.57 0.07 . 2 . . . . . . . . 4700 1 1233 . 1 1 119 119 LEU HD21 H 1 0.972 0.008 . 2 . . . . . . . . 4700 1 1234 . 1 1 119 119 LEU HD22 H 1 0.972 0.008 . 2 . . . . . . . . 4700 1 1235 . 1 1 119 119 LEU HD23 H 1 0.972 0.008 . 2 . . . . . . . . 4700 1 1236 . 1 1 119 119 LEU HB2 H 1 2.110 0.008 . 1 . . . . . . . . 4700 1 1237 . 1 1 119 119 LEU HB3 H 1 2.110 0.008 . 1 . . . . . . . . 4700 1 1238 . 1 1 120 120 ARG N N 15 116.08 0.05 . 1 . . . . . . . . 4700 1 1239 . 1 1 120 120 ARG H H 1 7.353 0.005 . 1 . . . . . . . . 4700 1 1240 . 1 1 120 120 ARG CA C 13 60.06 0.13 . 1 . . . . . . . . 4700 1 1241 . 1 1 120 120 ARG HA H 1 3.654 0.011 . 1 . . . . . . . . 4700 1 1242 . 1 1 120 120 ARG CB C 13 30.25 0.07 . 1 . . . . . . . . 4700 1 1243 . 1 1 120 120 ARG HB3 H 1 1.680 0.012 . 2 . . . . . . . . 4700 1 1244 . 1 1 120 120 ARG HB2 H 1 1.855 0.007 . 2 . . . . . . . . 4700 1 1245 . 1 1 120 120 ARG HG2 H 1 1.429 0.000 . 1 . . . . . . . . 4700 1 1246 . 1 1 120 120 ARG HG3 H 1 1.429 0.000 . 1 . . . . . . . . 4700 1 1247 . 1 1 121 121 ASP N N 15 110.83 0.06 . 1 . . . . . . . . 4700 1 1248 . 1 1 121 121 ASP H H 1 7.185 0.007 . 1 . . . . . . . . 4700 1 1249 . 1 1 121 121 ASP CA C 13 52.74 0.03 . 1 . . . . . . . . 4700 1 1250 . 1 1 121 121 ASP HA H 1 4.864 0.020 . 1 . . . . . . . . 4700 1 1251 . 1 1 121 121 ASP CB C 13 41.41 0.03 . 1 . . . . . . . . 4700 1 1252 . 1 1 121 121 ASP HB3 H 1 2.516 0.006 . 2 . . . . . . . . 4700 1 1253 . 1 1 121 121 ASP HB2 H 1 2.943 0.005 . 2 . . . . . . . . 4700 1 1254 . 1 1 122 122 ASP N N 15 121.41 0.05 . 1 . . . . . . . . 4700 1 1255 . 1 1 122 122 ASP H H 1 7.326 0.003 . 1 . . . . . . . . 4700 1 1256 . 1 1 122 122 ASP CA C 13 51.60 0.00 . 1 . . . . . . . . 4700 1 1257 . 1 1 122 122 ASP HA H 1 5.054 0.014 . 1 . . . . . . . . 4700 1 1258 . 1 1 122 122 ASP HB3 H 1 2.833 0.000 . 2 . . . . . . . . 4700 1 1259 . 1 1 122 122 ASP HB2 H 1 3.135 0.000 . 2 . . . . . . . . 4700 1 1260 . 1 1 123 123 PRO CA C 13 65.69 0.10 . 1 . . . . . . . . 4700 1 1261 . 1 1 123 123 PRO HA H 1 4.235 0.013 . 1 . . . . . . . . 4700 1 1262 . 1 1 123 123 PRO CB C 13 32.11 0.03 . 1 . . . . . . . . 4700 1 1263 . 1 1 123 123 PRO HB3 H 1 2.062 0.008 . 2 . . . . . . . . 4700 1 1264 . 1 1 123 123 PRO HB2 H 1 2.456 0.011 . 2 . . . . . . . . 4700 1 1265 . 1 1 123 123 PRO CG C 13 27.45 0.00 . 1 . . . . . . . . 4700 1 1266 . 1 1 123 123 PRO CD C 13 51.27 0.01 . 1 . . . . . . . . 4700 1 1267 . 1 1 123 123 PRO HD3 H 1 3.964 0.011 . 2 . . . . . . . . 4700 1 1268 . 1 1 123 123 PRO HD2 H 1 4.465 0.010 . 2 . . . . . . . . 4700 1 1269 . 1 1 123 123 PRO HG2 H 1 2.252 0.008 . 1 . . . . . . . . 4700 1 1270 . 1 1 123 123 PRO HG3 H 1 2.252 0.008 . 1 . . . . . . . . 4700 1 1271 . 1 1 124 124 SER N N 15 111.74 0.07 . 1 . . . . . . . . 4700 1 1272 . 1 1 124 124 SER H H 1 8.402 0.013 . 1 . . . . . . . . 4700 1 1273 . 1 1 124 124 SER CA C 13 61.90 0.12 . 1 . . . . . . . . 4700 1 1274 . 1 1 124 124 SER HA H 1 4.327 0.009 . 1 . . . . . . . . 4700 1 1275 . 1 1 124 124 SER CB C 13 62.23 0.05 . 1 . . . . . . . . 4700 1 1276 . 1 1 124 124 SER HB3 H 1 4.025 0.011 . 2 . . . . . . . . 4700 1 1277 . 1 1 124 124 SER HB2 H 1 4.105 0.006 . 2 . . . . . . . . 4700 1 1278 . 1 1 125 125 THR N N 15 121.06 0.06 . 1 . . . . . . . . 4700 1 1279 . 1 1 125 125 THR H H 1 7.994 0.010 . 1 . . . . . . . . 4700 1 1280 . 1 1 125 125 THR CA C 13 67.79 0.04 . 1 . . . . . . . . 4700 1 1281 . 1 1 125 125 THR HA H 1 4.765 0.001 . 1 . . . . . . . . 4700 1 1282 . 1 1 125 125 THR CB C 13 67.66 0.07 . 1 . . . . . . . . 4700 1 1283 . 1 1 125 125 THR HB H 1 3.943 0.013 . 1 . . . . . . . . 4700 1 1284 . 1 1 125 125 THR CG2 C 13 21.22 0.04 . 1 . . . . . . . . 4700 1 1285 . 1 1 125 125 THR HG21 H 1 1.295 0.014 . 1 . . . . . . . . 4700 1 1286 . 1 1 125 125 THR HG22 H 1 1.295 0.014 . 1 . . . . . . . . 4700 1 1287 . 1 1 125 125 THR HG23 H 1 1.295 0.014 . 1 . . . . . . . . 4700 1 1288 . 1 1 126 126 ILE N N 15 120.65 0.03 . 1 . . . . . . . . 4700 1 1289 . 1 1 126 126 ILE H H 1 8.304 0.009 . 1 . . . . . . . . 4700 1 1290 . 1 1 126 126 ILE CA C 13 64.84 0.08 . 1 . . . . . . . . 4700 1 1291 . 1 1 126 126 ILE HA H 1 3.622 0.017 . 1 . . . . . . . . 4700 1 1292 . 1 1 126 126 ILE CB C 13 37.12 0.08 . 1 . . . . . . . . 4700 1 1293 . 1 1 126 126 ILE HB H 1 2.008 0.014 . 1 . . . . . . . . 4700 1 1294 . 1 1 126 126 ILE CG1 C 13 28.51 0.03 . 1 . . . . . . . . 4700 1 1295 . 1 1 126 126 ILE HG13 H 1 1.278 0.016 . 2 . . . . . . . . 4700 1 1296 . 1 1 126 126 ILE HG12 H 1 1.605 0.011 . 2 . . . . . . . . 4700 1 1297 . 1 1 126 126 ILE CG2 C 13 17.13 0.03 . 1 . . . . . . . . 4700 1 1298 . 1 1 126 126 ILE HG21 H 1 0.994 0.007 . 1 . . . . . . . . 4700 1 1299 . 1 1 126 126 ILE HG22 H 1 0.994 0.007 . 1 . . . . . . . . 4700 1 1300 . 1 1 126 126 ILE HG23 H 1 0.994 0.007 . 1 . . . . . . . . 4700 1 1301 . 1 1 126 126 ILE CD1 C 13 12.00 0.04 . 1 . . . . . . . . 4700 1 1302 . 1 1 126 126 ILE HD11 H 1 0.850 0.009 . 1 . . . . . . . . 4700 1 1303 . 1 1 126 126 ILE HD12 H 1 0.850 0.009 . 1 . . . . . . . . 4700 1 1304 . 1 1 126 126 ILE HD13 H 1 0.850 0.009 . 1 . . . . . . . . 4700 1 1305 . 1 1 127 127 GLU N N 15 119.49 0.02 . 1 . . . . . . . . 4700 1 1306 . 1 1 127 127 GLU H H 1 8.324 0.006 . 1 . . . . . . . . 4700 1 1307 . 1 1 127 127 GLU CA C 13 59.16 0.10 . 1 . . . . . . . . 4700 1 1308 . 1 1 127 127 GLU HA H 1 4.207 0.011 . 1 . . . . . . . . 4700 1 1309 . 1 1 127 127 GLU CB C 13 29.27 0.04 . 1 . . . . . . . . 4700 1 1310 . 1 1 127 127 GLU CG C 13 35.97 0.05 . 1 . . . . . . . . 4700 1 1311 . 1 1 127 127 GLU HG3 H 1 2.301 0.009 . 2 . . . . . . . . 4700 1 1312 . 1 1 127 127 GLU HG2 H 1 2.401 0.008 . 2 . . . . . . . . 4700 1 1313 . 1 1 127 127 GLU HB2 H 1 2.159 0.019 . 1 . . . . . . . . 4700 1 1314 . 1 1 127 127 GLU HB3 H 1 2.159 0.019 . 1 . . . . . . . . 4700 1 1315 . 1 1 128 128 LYS N N 15 119.97 0.02 . 1 . . . . . . . . 4700 1 1316 . 1 1 128 128 LYS H H 1 7.981 0.013 . 1 . . . . . . . . 4700 1 1317 . 1 1 128 128 LYS CA C 13 59.88 0.02 . 1 . . . . . . . . 4700 1 1318 . 1 1 128 128 LYS HA H 1 4.035 0.010 . 1 . . . . . . . . 4700 1 1319 . 1 1 128 128 LYS CB C 13 32.09 0.08 . 1 . . . . . . . . 4700 1 1320 . 1 1 128 128 LYS CG C 13 25.09 0.04 . 1 . . . . . . . . 4700 1 1321 . 1 1 128 128 LYS HG3 H 1 1.473 0.014 . 2 . . . . . . . . 4700 1 1322 . 1 1 128 128 LYS HG2 H 1 1.687 0.017 . 2 . . . . . . . . 4700 1 1323 . 1 1 128 128 LYS CD C 13 29.06 0.00 . 1 . . . . . . . . 4700 1 1324 . 1 1 128 128 LYS HD3 H 1 1.733 0.004 . 2 . . . . . . . . 4700 1 1325 . 1 1 128 128 LYS HD2 H 1 1.775 0.007 . 2 . . . . . . . . 4700 1 1326 . 1 1 128 128 LYS CE C 13 42.10 0.00 . 1 . . . . . . . . 4700 1 1327 . 1 1 128 128 LYS HB2 H 1 2.092 0.015 . 1 . . . . . . . . 4700 1 1328 . 1 1 128 128 LYS HB3 H 1 2.092 0.015 . 1 . . . . . . . . 4700 1 1329 . 1 1 128 128 LYS HE2 H 1 3.036 0.008 . 1 . . . . . . . . 4700 1 1330 . 1 1 128 128 LYS HE3 H 1 3.036 0.008 . 1 . . . . . . . . 4700 1 1331 . 1 1 129 129 LEU N N 15 117.79 0.01 . 1 . . . . . . . . 4700 1 1332 . 1 1 129 129 LEU H H 1 8.203 0.008 . 1 . . . . . . . . 4700 1 1333 . 1 1 129 129 LEU CA C 13 57.94 0.08 . 1 . . . . . . . . 4700 1 1334 . 1 1 129 129 LEU HA H 1 4.183 0.014 . 1 . . . . . . . . 4700 1 1335 . 1 1 129 129 LEU CB C 13 41.69 0.06 . 1 . . . . . . . . 4700 1 1336 . 1 1 129 129 LEU HB3 H 1 1.113 0.018 . 2 . . . . . . . . 4700 1 1337 . 1 1 129 129 LEU HB2 H 1 1.913 0.010 . 2 . . . . . . . . 4700 1 1338 . 1 1 129 129 LEU CG C 13 27.05 0.07 . 1 . . . . . . . . 4700 1 1339 . 1 1 129 129 LEU HG H 1 1.910 0.010 . 1 . . . . . . . . 4700 1 1340 . 1 1 129 129 LEU CD1 C 13 25.13 0.02 . 2 . . . . . . . . 4700 1 1341 . 1 1 129 129 LEU HD11 H 1 0.732 0.008 . 2 . . . . . . . . 4700 1 1342 . 1 1 129 129 LEU HD12 H 1 0.732 0.008 . 2 . . . . . . . . 4700 1 1343 . 1 1 129 129 LEU HD13 H 1 0.732 0.008 . 2 . . . . . . . . 4700 1 1344 . 1 1 129 129 LEU CD2 C 13 22.43 0.04 . 2 . . . . . . . . 4700 1 1345 . 1 1 129 129 LEU HD21 H 1 0.862 0.007 . 2 . . . . . . . . 4700 1 1346 . 1 1 129 129 LEU HD22 H 1 0.862 0.007 . 2 . . . . . . . . 4700 1 1347 . 1 1 129 129 LEU HD23 H 1 0.862 0.007 . 2 . . . . . . . . 4700 1 1348 . 1 1 130 130 ALA N N 15 121.72 0.08 . 1 . . . . . . . . 4700 1 1349 . 1 1 130 130 ALA H H 1 8.575 0.006 . 1 . . . . . . . . 4700 1 1350 . 1 1 130 130 ALA CA C 13 55.28 0.04 . 1 . . . . . . . . 4700 1 1351 . 1 1 130 130 ALA HA H 1 4.346 0.006 . 1 . . . . . . . . 4700 1 1352 . 1 1 130 130 ALA CB C 13 17.64 0.08 . 1 . . . . . . . . 4700 1 1353 . 1 1 130 130 ALA HB1 H 1 1.651 0.004 . 1 . . . . . . . . 4700 1 1354 . 1 1 130 130 ALA HB2 H 1 1.651 0.004 . 1 . . . . . . . . 4700 1 1355 . 1 1 130 130 ALA HB3 H 1 1.651 0.004 . 1 . . . . . . . . 4700 1 1356 . 1 1 131 131 LYS N N 15 119.65 0.03 . 1 . . . . . . . . 4700 1 1357 . 1 1 131 131 LYS H H 1 8.146 0.008 . 1 . . . . . . . . 4700 1 1358 . 1 1 131 131 LYS CA C 13 59.03 0.07 . 1 . . . . . . . . 4700 1 1359 . 1 1 131 131 LYS HA H 1 4.170 0.009 . 1 . . . . . . . . 4700 1 1360 . 1 1 131 131 LYS CB C 13 32.14 0.03 . 1 . . . . . . . . 4700 1 1361 . 1 1 131 131 LYS HB3 H 1 2.013 0.006 . 2 . . . . . . . . 4700 1 1362 . 1 1 131 131 LYS HB2 H 1 2.069 0.002 . 2 . . . . . . . . 4700 1 1363 . 1 1 131 131 LYS CG C 13 25.18 0.06 . 1 . . . . . . . . 4700 1 1364 . 1 1 131 131 LYS HG3 H 1 1.602 0.007 . 2 . . . . . . . . 4700 1 1365 . 1 1 131 131 LYS HG2 H 1 1.770 0.007 . 2 . . . . . . . . 4700 1 1366 . 1 1 131 131 LYS CD C 13 29.01 0.00 . 1 . . . . . . . . 4700 1 1367 . 1 1 131 131 LYS CE C 13 42.25 0.01 . 1 . . . . . . . . 4700 1 1368 . 1 1 131 131 LYS HD2 H 1 1.764 0.000 . 1 . . . . . . . . 4700 1 1369 . 1 1 131 131 LYS HD3 H 1 1.764 0.000 . 1 . . . . . . . . 4700 1 1370 . 1 1 131 131 LYS HE2 H 1 3.059 0.010 . 1 . . . . . . . . 4700 1 1371 . 1 1 131 131 LYS HE3 H 1 3.059 0.010 . 1 . . . . . . . . 4700 1 1372 . 1 1 132 132 ASN N N 15 114.93 0.02 . 1 . . . . . . . . 4700 1 1373 . 1 1 132 132 ASN H H 1 7.487 0.006 . 1 . . . . . . . . 4700 1 1374 . 1 1 132 132 ASN CA C 13 52.07 0.09 . 1 . . . . . . . . 4700 1 1375 . 1 1 132 132 ASN HA H 1 5.052 0.013 . 1 . . . . . . . . 4700 1 1376 . 1 1 132 132 ASN CB C 13 39.18 0.09 . 1 . . . . . . . . 4700 1 1377 . 1 1 132 132 ASN HB3 H 1 2.656 0.011 . 2 . . . . . . . . 4700 1 1378 . 1 1 132 132 ASN HB2 H 1 3.097 0.013 . 2 . . . . . . . . 4700 1 1379 . 1 1 132 132 ASN ND2 N 15 111.35 0.06 . 1 . . . . . . . . 4700 1 1380 . 1 1 132 132 ASN HD21 H 1 6.986 0.005 . 2 . . . . . . . . 4700 1 1381 . 1 1 132 132 ASN HD22 H 1 7.500 0.007 . 2 . . . . . . . . 4700 1 1382 . 1 1 133 133 LYS N N 15 113.25 0.03 . 1 . . . . . . . . 4700 1 1383 . 1 1 133 133 LYS H H 1 8.176 0.012 . 1 . . . . . . . . 4700 1 1384 . 1 1 133 133 LYS CA C 13 57.17 0.06 . 1 . . . . . . . . 4700 1 1385 . 1 1 133 133 LYS HA H 1 3.996 0.009 . 1 . . . . . . . . 4700 1 1386 . 1 1 133 133 LYS CB C 13 28.50 0.02 . 1 . . . . . . . . 4700 1 1387 . 1 1 133 133 LYS HB3 H 1 2.066 0.015 . 2 . . . . . . . . 4700 1 1388 . 1 1 133 133 LYS HB2 H 1 2.156 0.013 . 2 . . . . . . . . 4700 1 1389 . 1 1 133 133 LYS CG C 13 25.14 0.01 . 1 . . . . . . . . 4700 1 1390 . 1 1 133 133 LYS CD C 13 29.01 0.00 . 1 . . . . . . . . 4700 1 1391 . 1 1 133 133 LYS HD3 H 1 1.726 0.023 . 2 . . . . . . . . 4700 1 1392 . 1 1 133 133 LYS HD2 H 1 1.770 0.005 . 2 . . . . . . . . 4700 1 1393 . 1 1 133 133 LYS CE C 13 42.14 0.00 . 1 . . . . . . . . 4700 1 1394 . 1 1 133 133 LYS HG2 H 1 1.450 0.011 . 1 . . . . . . . . 4700 1 1395 . 1 1 133 133 LYS HG3 H 1 1.450 0.011 . 1 . . . . . . . . 4700 1 1396 . 1 1 133 133 LYS HE2 H 1 3.061 0.014 . 1 . . . . . . . . 4700 1 1397 . 1 1 133 133 LYS HE3 H 1 3.061 0.014 . 1 . . . . . . . . 4700 1 1398 . 1 1 134 134 GLN N N 15 115.26 0.03 . 1 . . . . . . . . 4700 1 1399 . 1 1 134 134 GLN H H 1 8.187 0.005 . 1 . . . . . . . . 4700 1 1400 . 1 1 134 134 GLN CA C 13 53.82 0.00 . 1 . . . . . . . . 4700 1 1401 . 1 1 134 134 GLN HA H 1 4.825 0.015 . 1 . . . . . . . . 4700 1 1402 . 1 1 134 134 GLN NE2 N 15 109.25 0.03 . 1 . . . . . . . . 4700 1 1403 . 1 1 134 134 GLN HE21 H 1 6.882 0.006 . 2 . . . . . . . . 4700 1 1404 . 1 1 134 134 GLN HE22 H 1 7.528 0.003 . 2 . . . . . . . . 4700 1 1405 . 1 1 134 134 GLN HB2 H 1 2.099 0.010 . 1 . . . . . . . . 4700 1 1406 . 1 1 134 134 GLN HB3 H 1 2.099 0.010 . 1 . . . . . . . . 4700 1 1407 . 1 1 134 134 GLN HG2 H 1 2.441 0.014 . 1 . . . . . . . . 4700 1 1408 . 1 1 134 134 GLN HG3 H 1 2.441 0.014 . 1 . . . . . . . . 4700 1 1409 . 1 1 135 135 LYS N N 15 117.94 0.04 . 1 . . . . . . . . 4700 1 1410 . 1 1 135 135 LYS H H 1 8.046 0.004 . 1 . . . . . . . . 4700 1 1411 . 1 1 135 135 LYS CA C 13 54.02 0.01 . 1 . . . . . . . . 4700 1 1412 . 1 1 135 135 LYS HA H 1 4.823 0.016 . 1 . . . . . . . . 4700 1 1413 . 1 1 135 135 LYS CB C 13 34.17 0.01 . 1 . . . . . . . . 4700 1 1414 . 1 1 135 135 LYS HB3 H 1 1.676 0.017 . 2 . . . . . . . . 4700 1 1415 . 1 1 135 135 LYS HB2 H 1 1.939 0.009 . 2 . . . . . . . . 4700 1 1416 . 1 1 135 135 LYS CG C 13 24.52 0.01 . 1 . . . . . . . . 4700 1 1417 . 1 1 135 135 LYS HG3 H 1 1.413 0.009 . 2 . . . . . . . . 4700 1 1418 . 1 1 135 135 LYS HG2 H 1 1.483 0.001 . 2 . . . . . . . . 4700 1 1419 . 1 1 135 135 LYS CE C 13 42.07 0.00 . 1 . . . . . . . . 4700 1 1420 . 1 1 135 135 LYS HE2 H 1 3.014 0.005 . 1 . . . . . . . . 4700 1 1421 . 1 1 135 135 LYS HE3 H 1 3.014 0.005 . 1 . . . . . . . . 4700 1 1422 . 1 1 136 136 PRO CA C 13 62.38 0.00 . 1 . . . . . . . . 4700 1 1423 . 1 1 136 136 PRO HA H 1 4.485 0.000 . 1 . . . . . . . . 4700 1 1424 . 1 1 136 136 PRO CB C 13 32.30 0.00 . 1 . . . . . . . . 4700 1 1425 . 1 1 136 136 PRO HB2 H 1 2.103 0.000 . 1 . . . . . . . . 4700 1 1426 . 1 1 136 136 PRO HB3 H 1 2.103 0.000 . 1 . . . . . . . . 4700 1 1427 . 1 1 136 136 PRO HD2 H 1 3.757 0.015 . 1 . . . . . . . . 4700 1 1428 . 1 1 136 136 PRO HD3 H 1 3.757 0.015 . 1 . . . . . . . . 4700 1 1429 . 1 1 137 137 ILE N N 15 121.45 0.05 . 1 . . . . . . . . 4700 1 1430 . 1 1 137 137 ILE H H 1 9.214 0.004 . 1 . . . . . . . . 4700 1 1431 . 1 1 137 137 ILE CA C 13 59.78 0.04 . 1 . . . . . . . . 4700 1 1432 . 1 1 137 137 ILE HA H 1 3.976 0.008 . 1 . . . . . . . . 4700 1 1433 . 1 1 137 137 ILE CB C 13 36.85 0.10 . 1 . . . . . . . . 4700 1 1434 . 1 1 137 137 ILE HB H 1 1.917 0.018 . 1 . . . . . . . . 4700 1 1435 . 1 1 137 137 ILE CG1 C 13 27.09 0.05 . 1 . . . . . . . . 4700 1 1436 . 1 1 137 137 ILE HG13 H 1 0.971 0.015 . 2 . . . . . . . . 4700 1 1437 . 1 1 137 137 ILE HG12 H 1 1.317 0.011 . 2 . . . . . . . . 4700 1 1438 . 1 1 137 137 ILE CG2 C 13 17.15 0.03 . 1 . . . . . . . . 4700 1 1439 . 1 1 137 137 ILE HG21 H 1 0.323 0.009 . 1 . . . . . . . . 4700 1 1440 . 1 1 137 137 ILE HG22 H 1 0.323 0.009 . 1 . . . . . . . . 4700 1 1441 . 1 1 137 137 ILE HG23 H 1 0.323 0.009 . 1 . . . . . . . . 4700 1 1442 . 1 1 137 137 ILE CD1 C 13 10.39 0.05 . 1 . . . . . . . . 4700 1 1443 . 1 1 137 137 ILE HD11 H 1 0.535 0.005 . 1 . . . . . . . . 4700 1 1444 . 1 1 137 137 ILE HD12 H 1 0.535 0.005 . 1 . . . . . . . . 4700 1 1445 . 1 1 137 137 ILE HD13 H 1 0.535 0.005 . 1 . . . . . . . . 4700 1 1446 . 1 1 138 138 THR N N 15 117.66 0.02 . 1 . . . . . . . . 4700 1 1447 . 1 1 138 138 THR H H 1 8.072 0.007 . 1 . . . . . . . . 4700 1 1448 . 1 1 138 138 THR CA C 13 59.00 0.06 . 1 . . . . . . . . 4700 1 1449 . 1 1 138 138 THR HA H 1 4.639 0.005 . 1 . . . . . . . . 4700 1 1450 . 1 1 138 138 THR HB H 1 4.763 0.009 . 1 . . . . . . . . 4700 1 1451 . 1 1 138 138 THR CG2 C 13 22.25 0.04 . 1 . . . . . . . . 4700 1 1452 . 1 1 138 138 THR HG21 H 1 1.355 0.005 . 1 . . . . . . . . 4700 1 1453 . 1 1 138 138 THR HG22 H 1 1.355 0.005 . 1 . . . . . . . . 4700 1 1454 . 1 1 138 138 THR HG23 H 1 1.355 0.005 . 1 . . . . . . . . 4700 1 1455 . 1 1 139 139 PRO CA C 13 65.44 0.09 . 1 . . . . . . . . 4700 1 1456 . 1 1 139 139 PRO HA H 1 4.156 0.015 . 1 . . . . . . . . 4700 1 1457 . 1 1 139 139 PRO CB C 13 31.52 0.07 . 1 . . . . . . . . 4700 1 1458 . 1 1 139 139 PRO HB3 H 1 2.044 0.000 . 2 . . . . . . . . 4700 1 1459 . 1 1 139 139 PRO HB2 H 1 2.566 0.007 . 2 . . . . . . . . 4700 1 1460 . 1 1 139 139 PRO HD3 H 1 3.876 0.000 . 2 . . . . . . . . 4700 1 1461 . 1 1 140 140 GLU N N 15 113.95 0.02 . 1 . . . . . . . . 4700 1 1462 . 1 1 140 140 GLU H H 1 8.644 0.010 . 1 . . . . . . . . 4700 1 1463 . 1 1 140 140 GLU CA C 13 60.08 0.06 . 1 . . . . . . . . 4700 1 1464 . 1 1 140 140 GLU HA H 1 4.056 0.012 . 1 . . . . . . . . 4700 1 1465 . 1 1 140 140 GLU CB C 13 28.59 0.05 . 1 . . . . . . . . 4700 1 1466 . 1 1 140 140 GLU HB3 H 1 1.954 0.009 . 2 . . . . . . . . 4700 1 1467 . 1 1 140 140 GLU HB2 H 1 2.093 0.009 . 2 . . . . . . . . 4700 1 1468 . 1 1 140 140 GLU CG C 13 36.49 0.01 . 1 . . . . . . . . 4700 1 1469 . 1 1 140 140 GLU HG3 H 1 2.331 0.005 . 1 . . . . . . . . 4700 1 1470 . 1 1 140 140 GLU HG2 H 1 2.388 0.012 . 1 . . . . . . . . 4700 1 1471 . 1 1 141 141 THR N N 15 117.55 0.09 . 1 . . . . . . . . 4700 1 1472 . 1 1 141 141 THR H H 1 7.651 0.010 . 1 . . . . . . . . 4700 1 1473 . 1 1 141 141 THR CA C 13 66.00 0.07 . 1 . . . . . . . . 4700 1 1474 . 1 1 141 141 THR HA H 1 3.887 0.013 . 1 . . . . . . . . 4700 1 1475 . 1 1 141 141 THR CB C 13 68.40 0.03 . 1 . . . . . . . . 4700 1 1476 . 1 1 141 141 THR HB H 1 4.087 0.010 . 1 . . . . . . . . 4700 1 1477 . 1 1 141 141 THR CG2 C 13 22.19 0.03 . 1 . . . . . . . . 4700 1 1478 . 1 1 141 141 THR HG21 H 1 1.207 0.011 . 1 . . . . . . . . 4700 1 1479 . 1 1 141 141 THR HG22 H 1 1.207 0.011 . 1 . . . . . . . . 4700 1 1480 . 1 1 141 141 THR HG23 H 1 1.207 0.011 . 1 . . . . . . . . 4700 1 1481 . 1 1 142 142 ALA N N 15 124.73 0.05 . 1 . . . . . . . . 4700 1 1482 . 1 1 142 142 ALA H H 1 7.625 0.005 . 1 . . . . . . . . 4700 1 1483 . 1 1 142 142 ALA CA C 13 55.13 0.08 . 1 . . . . . . . . 4700 1 1484 . 1 1 142 142 ALA HA H 1 3.936 0.013 . 1 . . . . . . . . 4700 1 1485 . 1 1 142 142 ALA CB C 13 17.07 0.04 . 1 . . . . . . . . 4700 1 1486 . 1 1 142 142 ALA HB1 H 1 0.681 0.008 . 1 . . . . . . . . 4700 1 1487 . 1 1 142 142 ALA HB2 H 1 0.681 0.008 . 1 . . . . . . . . 4700 1 1488 . 1 1 142 142 ALA HB3 H 1 0.681 0.008 . 1 . . . . . . . . 4700 1 1489 . 1 1 143 143 GLU N N 15 117.29 0.02 . 1 . . . . . . . . 4700 1 1490 . 1 1 143 143 GLU H H 1 8.862 0.008 . 1 . . . . . . . . 4700 1 1491 . 1 1 143 143 GLU CA C 13 59.44 0.05 . 1 . . . . . . . . 4700 1 1492 . 1 1 143 143 GLU HA H 1 3.816 0.009 . 1 . . . . . . . . 4700 1 1493 . 1 1 143 143 GLU CB C 13 29.31 0.09 . 1 . . . . . . . . 4700 1 1494 . 1 1 143 143 GLU HB3 H 1 2.038 0.012 . 2 . . . . . . . . 4700 1 1495 . 1 1 143 143 GLU HB2 H 1 2.170 0.021 . 2 . . . . . . . . 4700 1 1496 . 1 1 143 143 GLU CG C 13 36.78 0.03 . 1 . . . . . . . . 4700 1 1497 . 1 1 143 143 GLU HG3 H 1 2.416 0.012 . 2 . . . . . . . . 4700 1 1498 . 1 1 143 143 GLU HG2 H 1 2.581 0.006 . 2 . . . . . . . . 4700 1 1499 . 1 1 144 144 LYS N N 15 118.16 0.07 . 1 . . . . . . . . 4700 1 1500 . 1 1 144 144 LYS H H 1 7.381 0.003 . 1 . . . . . . . . 4700 1 1501 . 1 1 144 144 LYS CA C 13 59.35 0.04 . 1 . . . . . . . . 4700 1 1502 . 1 1 144 144 LYS HA H 1 4.016 0.010 . 1 . . . . . . . . 4700 1 1503 . 1 1 144 144 LYS CB C 13 31.87 0.08 . 1 . . . . . . . . 4700 1 1504 . 1 1 144 144 LYS HB3 H 1 1.926 0.006 . 2 . . . . . . . . 4700 1 1505 . 1 1 144 144 LYS HB2 H 1 2.036 0.006 . 2 . . . . . . . . 4700 1 1506 . 1 1 144 144 LYS CG C 13 25.15 0.00 . 1 . . . . . . . . 4700 1 1507 . 1 1 144 144 LYS HG3 H 1 1.481 0.005 . 2 . . . . . . . . 4700 1 1508 . 1 1 144 144 LYS HG2 H 1 1.586 0.013 . 2 . . . . . . . . 4700 1 1509 . 1 1 144 144 LYS CD C 13 28.76 0.00 . 1 . . . . . . . . 4700 1 1510 . 1 1 144 144 LYS HD3 H 1 1.713 0.004 . 2 . . . . . . . . 4700 1 1511 . 1 1 144 144 LYS HD2 H 1 1.774 0.003 . 2 . . . . . . . . 4700 1 1512 . 1 1 144 144 LYS CE C 13 42.12 0.00 . 1 . . . . . . . . 4700 1 1513 . 1 1 144 144 LYS HE2 H 1 3.042 0.004 . 1 . . . . . . . . 4700 1 1514 . 1 1 144 144 LYS HE3 H 1 3.042 0.004 . 1 . . . . . . . . 4700 1 1515 . 1 1 145 145 LEU N N 15 118.88 0.05 . 1 . . . . . . . . 4700 1 1516 . 1 1 145 145 LEU H H 1 7.383 0.007 . 1 . . . . . . . . 4700 1 1517 . 1 1 145 145 LEU CA C 13 57.73 0.04 . 1 . . . . . . . . 4700 1 1518 . 1 1 145 145 LEU HA H 1 4.213 0.017 . 1 . . . . . . . . 4700 1 1519 . 1 1 145 145 LEU CB C 13 40.72 0.00 . 1 . . . . . . . . 4700 1 1520 . 1 1 145 145 LEU HB3 H 1 1.543 0.000 . 2 . . . . . . . . 4700 1 1521 . 1 1 145 145 LEU HB2 H 1 1.864 0.016 . 2 . . . . . . . . 4700 1 1522 . 1 1 145 145 LEU CG C 13 26.63 0.05 . 1 . . . . . . . . 4700 1 1523 . 1 1 145 145 LEU HG H 1 1.433 0.017 . 1 . . . . . . . . 4700 1 1524 . 1 1 145 145 LEU CD1 C 13 25.90 0.01 . 2 . . . . . . . . 4700 1 1525 . 1 1 145 145 LEU HD11 H 1 0.167 0.012 . 2 . . . . . . . . 4700 1 1526 . 1 1 145 145 LEU HD12 H 1 0.167 0.012 . 2 . . . . . . . . 4700 1 1527 . 1 1 145 145 LEU HD13 H 1 0.167 0.012 . 2 . . . . . . . . 4700 1 1528 . 1 1 145 145 LEU CD2 C 13 23.23 0.04 . 2 . . . . . . . . 4700 1 1529 . 1 1 145 145 LEU HD21 H 1 0.830 0.009 . 2 . . . . . . . . 4700 1 1530 . 1 1 145 145 LEU HD22 H 1 0.830 0.009 . 2 . . . . . . . . 4700 1 1531 . 1 1 145 145 LEU HD23 H 1 0.830 0.009 . 2 . . . . . . . . 4700 1 1532 . 1 1 146 146 ALA N N 15 118.11 0.05 . 1 . . . . . . . . 4700 1 1533 . 1 1 146 146 ALA H H 1 8.545 0.008 . 1 . . . . . . . . 4700 1 1534 . 1 1 146 146 ALA CA C 13 55.42 0.03 . 1 . . . . . . . . 4700 1 1535 . 1 1 146 146 ALA HA H 1 3.785 0.012 . 1 . . . . . . . . 4700 1 1536 . 1 1 146 146 ALA CB C 13 18.17 0.04 . 1 . . . . . . . . 4700 1 1537 . 1 1 146 146 ALA HB1 H 1 1.509 0.005 . 1 . . . . . . . . 4700 1 1538 . 1 1 146 146 ALA HB2 H 1 1.509 0.005 . 1 . . . . . . . . 4700 1 1539 . 1 1 146 146 ALA HB3 H 1 1.509 0.005 . 1 . . . . . . . . 4700 1 1540 . 1 1 147 147 ARG N N 15 115.39 0.01 . 1 . . . . . . . . 4700 1 1541 . 1 1 147 147 ARG H H 1 7.802 0.009 . 1 . . . . . . . . 4700 1 1542 . 1 1 147 147 ARG CA C 13 59.00 0.04 . 1 . . . . . . . . 4700 1 1543 . 1 1 147 147 ARG HA H 1 4.221 0.016 . 1 . . . . . . . . 4700 1 1544 . 1 1 147 147 ARG CB C 13 29.98 0.04 . 1 . . . . . . . . 4700 1 1545 . 1 1 147 147 ARG HB3 H 1 1.997 0.001 . 2 . . . . . . . . 4700 1 1546 . 1 1 147 147 ARG CG C 13 27.49 0.03 . 1 . . . . . . . . 4700 1 1547 . 1 1 147 147 ARG HG3 H 1 1.673 0.015 . 2 . . . . . . . . 4700 1 1548 . 1 1 147 147 ARG HG2 H 1 1.916 0.010 . 2 . . . . . . . . 4700 1 1549 . 1 1 147 147 ARG CD C 13 43.39 0.06 . 1 . . . . . . . . 4700 1 1550 . 1 1 147 147 ARG HD3 H 1 3.259 0.001 . 2 . . . . . . . . 4700 1 1551 . 1 1 147 147 ARG HD2 H 1 3.333 0.013 . 2 . . . . . . . . 4700 1 1552 . 1 1 147 147 ARG HB2 H 1 2.034 0.008 . 1 . . . . . . . . 4700 1 1553 . 1 1 148 148 ASP N N 15 121.34 0.03 . 1 . . . . . . . . 4700 1 1554 . 1 1 148 148 ASP H H 1 8.538 0.012 . 1 . . . . . . . . 4700 1 1555 . 1 1 148 148 ASP CA C 13 57.46 0.05 . 1 . . . . . . . . 4700 1 1556 . 1 1 148 148 ASP HA H 1 4.395 0.015 . 1 . . . . . . . . 4700 1 1557 . 1 1 148 148 ASP CB C 13 40.24 0.08 . 1 . . . . . . . . 4700 1 1558 . 1 1 148 148 ASP HB3 H 1 2.709 0.006 . 2 . . . . . . . . 4700 1 1559 . 1 1 148 148 ASP HB2 H 1 2.897 0.006 . 2 . . . . . . . . 4700 1 1560 . 1 1 149 149 LEU N N 15 114.58 0.05 . 1 . . . . . . . . 4700 1 1561 . 1 1 149 149 LEU H H 1 8.450 0.003 . 1 . . . . . . . . 4700 1 1562 . 1 1 149 149 LEU CA C 13 54.27 0.06 . 1 . . . . . . . . 4700 1 1563 . 1 1 149 149 LEU HA H 1 4.422 0.015 . 1 . . . . . . . . 4700 1 1564 . 1 1 149 149 LEU CB C 13 41.74 0.02 . 1 . . . . . . . . 4700 1 1565 . 1 1 149 149 LEU HB3 H 1 1.803 0.014 . 2 . . . . . . . . 4700 1 1566 . 1 1 149 149 LEU CG C 13 25.89 0.00 . 1 . . . . . . . . 4700 1 1567 . 1 1 149 149 LEU HG H 1 1.940 0.005 . 1 . . . . . . . . 4700 1 1568 . 1 1 149 149 LEU CD1 C 13 26.92 0.02 . 2 . . . . . . . . 4700 1 1569 . 1 1 149 149 LEU HD11 H 1 0.784 0.008 . 2 . . . . . . . . 4700 1 1570 . 1 1 149 149 LEU HD12 H 1 0.784 0.008 . 2 . . . . . . . . 4700 1 1571 . 1 1 149 149 LEU HD13 H 1 0.784 0.008 . 2 . . . . . . . . 4700 1 1572 . 1 1 149 149 LEU CD2 C 13 21.68 0.04 . 2 . . . . . . . . 4700 1 1573 . 1 1 149 149 LEU HD21 H 1 0.862 0.012 . 2 . . . . . . . . 4700 1 1574 . 1 1 149 149 LEU HD22 H 1 0.862 0.012 . 2 . . . . . . . . 4700 1 1575 . 1 1 149 149 LEU HD23 H 1 0.862 0.012 . 2 . . . . . . . . 4700 1 1576 . 1 1 150 150 LYS N N 15 110.99 0.02 . 1 . . . . . . . . 4700 1 1577 . 1 1 150 150 LYS H H 1 7.700 0.007 . 1 . . . . . . . . 4700 1 1578 . 1 1 150 150 LYS CA C 13 57.27 0.08 . 1 . . . . . . . . 4700 1 1579 . 1 1 150 150 LYS HA H 1 3.842 0.012 . 1 . . . . . . . . 4700 1 1580 . 1 1 150 150 LYS CB C 13 27.92 0.05 . 1 . . . . . . . . 4700 1 1581 . 1 1 150 150 LYS HB3 H 1 1.917 0.010 . 2 . . . . . . . . 4700 1 1582 . 1 1 150 150 LYS HB2 H 1 2.309 0.016 . 2 . . . . . . . . 4700 1 1583 . 1 1 150 150 LYS CG C 13 24.81 0.04 . 1 . . . . . . . . 4700 1 1584 . 1 1 150 150 LYS CD C 13 28.99 0.03 . 1 . . . . . . . . 4700 1 1585 . 1 1 150 150 LYS CE C 13 42.10 0.01 . 1 . . . . . . . . 4700 1 1586 . 1 1 150 150 LYS HG2 H 1 1.403 0.010 . 1 . . . . . . . . 4700 1 1587 . 1 1 150 150 LYS HG3 H 1 1.403 0.010 . 1 . . . . . . . . 4700 1 1588 . 1 1 150 150 LYS HD2 H 1 1.743 0.004 . 1 . . . . . . . . 4700 1 1589 . 1 1 150 150 LYS HD3 H 1 1.743 0.004 . 1 . . . . . . . . 4700 1 1590 . 1 1 150 150 LYS HE2 H 1 3.078 0.004 . 1 . . . . . . . . 4700 1 1591 . 1 1 150 150 LYS HE3 H 1 3.078 0.004 . 1 . . . . . . . . 4700 1 1592 . 1 1 151 151 ALA N N 15 118.95 0.06 . 1 . . . . . . . . 4700 1 1593 . 1 1 151 151 ALA H H 1 8.292 0.007 . 1 . . . . . . . . 4700 1 1594 . 1 1 151 151 ALA CA C 13 51.13 0.08 . 1 . . . . . . . . 4700 1 1595 . 1 1 151 151 ALA HA H 1 3.040 0.009 . 1 . . . . . . . . 4700 1 1596 . 1 1 151 151 ALA CB C 13 20.12 0.01 . 1 . . . . . . . . 4700 1 1597 . 1 1 151 151 ALA HB1 H 1 1.134 0.007 . 1 . . . . . . . . 4700 1 1598 . 1 1 151 151 ALA HB2 H 1 1.134 0.007 . 1 . . . . . . . . 4700 1 1599 . 1 1 151 151 ALA HB3 H 1 1.134 0.007 . 1 . . . . . . . . 4700 1 1600 . 1 1 152 152 VAL N N 15 119.67 0.05 . 1 . . . . . . . . 4700 1 1601 . 1 1 152 152 VAL H H 1 8.840 0.007 . 1 . . . . . . . . 4700 1 1602 . 1 1 152 152 VAL CA C 13 65.95 0.07 . 1 . . . . . . . . 4700 1 1603 . 1 1 152 152 VAL HA H 1 3.558 0.007 . 1 . . . . . . . . 4700 1 1604 . 1 1 152 152 VAL CB C 13 32.61 0.07 . 1 . . . . . . . . 4700 1 1605 . 1 1 152 152 VAL HB H 1 1.723 0.012 . 1 . . . . . . . . 4700 1 1606 . 1 1 152 152 VAL CG1 C 13 21.23 0.06 . 2 . . . . . . . . 4700 1 1607 . 1 1 152 152 VAL HG11 H 1 0.963 0.004 . 2 . . . . . . . . 4700 1 1608 . 1 1 152 152 VAL HG12 H 1 0.963 0.004 . 2 . . . . . . . . 4700 1 1609 . 1 1 152 152 VAL HG13 H 1 0.963 0.004 . 2 . . . . . . . . 4700 1 1610 . 1 1 152 152 VAL CG2 C 13 22.68 0.04 . 2 . . . . . . . . 4700 1 1611 . 1 1 152 152 VAL HG21 H 1 1.056 0.011 . 2 . . . . . . . . 4700 1 1612 . 1 1 152 152 VAL HG22 H 1 1.056 0.011 . 2 . . . . . . . . 4700 1 1613 . 1 1 152 152 VAL HG23 H 1 1.056 0.011 . 2 . . . . . . . . 4700 1 1614 . 1 1 153 153 LYS N N 15 107.23 0.06 . 1 . . . . . . . . 4700 1 1615 . 1 1 153 153 LYS H H 1 6.953 0.006 . 1 . . . . . . . . 4700 1 1616 . 1 1 153 153 LYS CA C 13 54.93 0.06 . 1 . . . . . . . . 4700 1 1617 . 1 1 153 153 LYS HA H 1 4.408 0.009 . 1 . . . . . . . . 4700 1 1618 . 1 1 153 153 LYS CB C 13 34.18 0.04 . 1 . . . . . . . . 4700 1 1619 . 1 1 153 153 LYS HB3 H 1 1.777 0.008 . 2 . . . . . . . . 4700 1 1620 . 1 1 153 153 LYS HB2 H 1 2.112 0.015 . 2 . . . . . . . . 4700 1 1621 . 1 1 153 153 LYS CG C 13 23.13 0.06 . 1 . . . . . . . . 4700 1 1622 . 1 1 153 153 LYS CD C 13 28.47 0.01 . 1 . . . . . . . . 4700 1 1623 . 1 1 153 153 LYS CE C 13 41.19 0.00 . 1 . . . . . . . . 4700 1 1624 . 1 1 153 153 LYS HE3 H 1 2.820 0.001 . 2 . . . . . . . . 4700 1 1625 . 1 1 153 153 LYS HE2 H 1 2.930 0.003 . 2 . . . . . . . . 4700 1 1626 . 1 1 153 153 LYS HG2 H 1 1.245 0.013 . 1 . . . . . . . . 4700 1 1627 . 1 1 153 153 LYS HG3 H 1 1.245 0.013 . 1 . . . . . . . . 4700 1 1628 . 1 1 153 153 LYS HD2 H 1 1.528 0.011 . 1 . . . . . . . . 4700 1 1629 . 1 1 153 153 LYS HD3 H 1 1.528 0.011 . 1 . . . . . . . . 4700 1 1630 . 1 1 154 154 TYR N N 15 119.31 0.03 . 1 . . . . . . . . 4700 1 1631 . 1 1 154 154 TYR H H 1 8.703 0.008 . 1 . . . . . . . . 4700 1 1632 . 1 1 154 154 TYR CA C 13 55.98 0.03 . 1 . . . . . . . . 4700 1 1633 . 1 1 154 154 TYR HA H 1 5.848 0.006 . 1 . . . . . . . . 4700 1 1634 . 1 1 154 154 TYR CB C 13 40.36 0.00 . 1 . . . . . . . . 4700 1 1635 . 1 1 154 154 TYR HB2 H 1 2.840 0.007 . 1 . . . . . . . . 4700 1 1636 . 1 1 154 154 TYR HB3 H 1 2.840 0.007 . 1 . . . . . . . . 4700 1 1637 . 1 1 154 154 TYR HD1 H 1 7.077 0.011 . 1 . . . . . . . . 4700 1 1638 . 1 1 154 154 TYR HD2 H 1 7.077 0.011 . 1 . . . . . . . . 4700 1 1639 . 1 1 154 154 TYR CE1 C 13 118.05 0.02 . 1 . . . . . . . . 4700 1 1640 . 1 1 154 154 TYR CE2 C 13 118.05 0.02 . 1 . . . . . . . . 4700 1 1641 . 1 1 154 154 TYR HE1 H 1 6.810 0.002 . 1 . . . . . . . . 4700 1 1642 . 1 1 154 154 TYR HE2 H 1 6.810 0.002 . 1 . . . . . . . . 4700 1 1643 . 1 1 155 155 VAL N N 15 120.85 0.05 . 1 . . . . . . . . 4700 1 1644 . 1 1 155 155 VAL H H 1 8.331 0.005 . 1 . . . . . . . . 4700 1 1645 . 1 1 155 155 VAL CA C 13 58.32 0.05 . 1 . . . . . . . . 4700 1 1646 . 1 1 155 155 VAL HA H 1 4.182 0.009 . 1 . . . . . . . . 4700 1 1647 . 1 1 155 155 VAL CB C 13 34.95 0.08 . 1 . . . . . . . . 4700 1 1648 . 1 1 155 155 VAL HB H 1 2.007 0.003 . 1 . . . . . . . . 4700 1 1649 . 1 1 155 155 VAL CG1 C 13 21.23 0.05 . 2 . . . . . . . . 4700 1 1650 . 1 1 155 155 VAL HG11 H 1 0.693 0.007 . 2 . . . . . . . . 4700 1 1651 . 1 1 155 155 VAL HG12 H 1 0.693 0.007 . 2 . . . . . . . . 4700 1 1652 . 1 1 155 155 VAL HG13 H 1 0.693 0.007 . 2 . . . . . . . . 4700 1 1653 . 1 1 155 155 VAL CG2 C 13 22.81 0.02 . 2 . . . . . . . . 4700 1 1654 . 1 1 155 155 VAL HG21 H 1 0.700 0.015 . 2 . . . . . . . . 4700 1 1655 . 1 1 155 155 VAL HG22 H 1 0.700 0.015 . 2 . . . . . . . . 4700 1 1656 . 1 1 155 155 VAL HG23 H 1 0.700 0.015 . 2 . . . . . . . . 4700 1 1657 . 1 1 156 156 GLU N N 15 112.43 0.07 . 1 . . . . . . . . 4700 1 1658 . 1 1 156 156 GLU H H 1 8.125 0.006 . 1 . . . . . . . . 4700 1 1659 . 1 1 156 156 GLU CA C 13 53.65 0.03 . 1 . . . . . . . . 4700 1 1660 . 1 1 156 156 GLU HA H 1 5.494 0.017 . 1 . . . . . . . . 4700 1 1661 . 1 1 156 156 GLU CB C 13 31.59 0.00 . 1 . . . . . . . . 4700 1 1662 . 1 1 156 156 GLU CG C 13 34.12 0.00 . 1 . . . . . . . . 4700 1 1663 . 1 1 156 156 GLU HG3 H 1 1.880 0.021 . 2 . . . . . . . . 4700 1 1664 . 1 1 156 156 GLU HG2 H 1 2.297 0.009 . 2 . . . . . . . . 4700 1 1665 . 1 1 156 156 GLU HB2 H 1 2.027 0.000 . 1 . . . . . . . . 4700 1 1666 . 1 1 156 156 GLU HB3 H 1 2.027 0.000 . 1 . . . . . . . . 4700 1 1667 . 1 1 157 157 CYS N N 15 110.98 0.03 . 1 . . . . . . . . 4700 1 1668 . 1 1 157 157 CYS H H 1 8.846 0.004 . 1 . . . . . . . . 4700 1 1669 . 1 1 157 157 CYS CA C 13 55.83 0.02 . 1 . . . . . . . . 4700 1 1670 . 1 1 157 157 CYS HA H 1 5.369 0.007 . 1 . . . . . . . . 4700 1 1671 . 1 1 157 157 CYS CB C 13 32.10 0.00 . 1 . . . . . . . . 4700 1 1672 . 1 1 157 157 CYS HB3 H 1 2.472 0.000 . 2 . . . . . . . . 4700 1 1673 . 1 1 157 157 CYS HB2 H 1 2.902 0.000 . 2 . . . . . . . . 4700 1 1674 . 1 1 158 158 SER N N 15 109.22 0.04 . 1 . . . . . . . . 4700 1 1675 . 1 1 158 158 SER H H 1 8.303 0.004 . 1 . . . . . . . . 4700 1 1676 . 1 1 158 158 SER CA C 13 55.86 0.02 . 1 . . . . . . . . 4700 1 1677 . 1 1 158 158 SER HA H 1 5.326 0.001 . 1 . . . . . . . . 4700 1 1678 . 1 1 158 158 SER CB C 13 64.62 0.00 . 1 . . . . . . . . 4700 1 1679 . 1 1 158 158 SER HB2 H 1 4.107 0.003 . 1 . . . . . . . . 4700 1 1680 . 1 1 158 158 SER HB3 H 1 4.107 0.003 . 1 . . . . . . . . 4700 1 1681 . 1 1 159 159 ALA N N 15 131.66 0.07 . 1 . . . . . . . . 4700 1 1682 . 1 1 159 159 ALA H H 1 9.429 0.008 . 1 . . . . . . . . 4700 1 1683 . 1 1 159 159 ALA CA C 13 54.39 0.05 . 1 . . . . . . . . 4700 1 1684 . 1 1 159 159 ALA HA H 1 4.270 0.009 . 1 . . . . . . . . 4700 1 1685 . 1 1 159 159 ALA CB C 13 19.86 0.04 . 1 . . . . . . . . 4700 1 1686 . 1 1 159 159 ALA HB1 H 1 1.782 0.011 . 1 . . . . . . . . 4700 1 1687 . 1 1 159 159 ALA HB2 H 1 1.782 0.011 . 1 . . . . . . . . 4700 1 1688 . 1 1 159 159 ALA HB3 H 1 1.782 0.011 . 1 . . . . . . . . 4700 1 1689 . 1 1 160 160 LEU N N 15 117.50 0.06 . 1 . . . . . . . . 4700 1 1690 . 1 1 160 160 LEU H H 1 7.503 0.007 . 1 . . . . . . . . 4700 1 1691 . 1 1 160 160 LEU CA C 13 57.07 0.07 . 1 . . . . . . . . 4700 1 1692 . 1 1 160 160 LEU HA H 1 3.354 0.011 . 1 . . . . . . . . 4700 1 1693 . 1 1 160 160 LEU HB2 H 1 1.210 0.023 . 2 . . . . . . . . 4700 1 1694 . 1 1 160 160 LEU CG C 13 26.36 0.06 . 1 . . . . . . . . 4700 1 1695 . 1 1 160 160 LEU HG H 1 0.938 0.008 . 1 . . . . . . . . 4700 1 1696 . 1 1 160 160 LEU CD1 C 13 21.99 0.02 . 2 . . . . . . . . 4700 1 1697 . 1 1 160 160 LEU CD2 C 13 25.62 0.04 . 2 . . . . . . . . 4700 1 1698 . 1 1 160 160 LEU HD21 H 1 0.605 0.012 . 2 . . . . . . . . 4700 1 1699 . 1 1 160 160 LEU HD22 H 1 0.605 0.012 . 2 . . . . . . . . 4700 1 1700 . 1 1 160 160 LEU HD23 H 1 0.605 0.012 . 2 . . . . . . . . 4700 1 1701 . 1 1 161 161 THR N N 15 105.46 0.06 . 1 . . . . . . . . 4700 1 1702 . 1 1 161 161 THR H H 1 8.108 0.008 . 1 . . . . . . . . 4700 1 1703 . 1 1 161 161 THR CA C 13 61.40 0.05 . 1 . . . . . . . . 4700 1 1704 . 1 1 161 161 THR HA H 1 4.233 0.012 . 1 . . . . . . . . 4700 1 1705 . 1 1 161 161 THR CB C 13 69.55 0.07 . 1 . . . . . . . . 4700 1 1706 . 1 1 161 161 THR HB H 1 4.497 0.013 . 1 . . . . . . . . 4700 1 1707 . 1 1 161 161 THR CG2 C 13 21.31 0.03 . 1 . . . . . . . . 4700 1 1708 . 1 1 161 161 THR HG1 H 1 5.466 0.001 . 1 . . . . . . . . 4700 1 1709 . 1 1 161 161 THR HG21 H 1 1.180 0.006 . 1 . . . . . . . . 4700 1 1710 . 1 1 161 161 THR HG22 H 1 1.180 0.006 . 1 . . . . . . . . 4700 1 1711 . 1 1 161 161 THR HG23 H 1 1.180 0.006 . 1 . . . . . . . . 4700 1 1712 . 1 1 162 162 GLN N N 15 111.37 0.05 . 1 . . . . . . . . 4700 1 1713 . 1 1 162 162 GLN H H 1 7.494 0.008 . 1 . . . . . . . . 4700 1 1714 . 1 1 162 162 GLN CA C 13 58.75 0.10 . 1 . . . . . . . . 4700 1 1715 . 1 1 162 162 GLN HA H 1 4.024 0.011 . 1 . . . . . . . . 4700 1 1716 . 1 1 162 162 GLN CB C 13 25.74 0.00 . 1 . . . . . . . . 4700 1 1717 . 1 1 162 162 GLN HB3 H 1 2.234 0.005 . 2 . . . . . . . . 4700 1 1718 . 1 1 162 162 GLN HB2 H 1 2.735 0.014 . 2 . . . . . . . . 4700 1 1719 . 1 1 162 162 GLN CG C 13 34.28 0.00 . 1 . . . . . . . . 4700 1 1720 . 1 1 162 162 GLN HG2 H 1 2.213 0.016 . 2 . . . . . . . . 4700 1 1721 . 1 1 162 162 GLN NE2 N 15 112.76 0.08 . 1 . . . . . . . . 4700 1 1722 . 1 1 162 162 GLN HE21 H 1 7.159 0.006 . 2 . . . . . . . . 4700 1 1723 . 1 1 162 162 GLN HE22 H 1 7.483 0.007 . 2 . . . . . . . . 4700 1 1724 . 1 1 163 163 LYS N N 15 123.36 0.09 . 1 . . . . . . . . 4700 1 1725 . 1 1 163 163 LYS H H 1 7.933 0.006 . 1 . . . . . . . . 4700 1 1726 . 1 1 163 163 LYS CA C 13 58.04 0.03 . 1 . . . . . . . . 4700 1 1727 . 1 1 163 163 LYS HA H 1 4.235 0.009 . 1 . . . . . . . . 4700 1 1728 . 1 1 163 163 LYS CB C 13 32.11 0.07 . 1 . . . . . . . . 4700 1 1729 . 1 1 163 163 LYS HB3 H 1 1.647 0.011 . 2 . . . . . . . . 4700 1 1730 . 1 1 163 163 LYS HB2 H 1 1.829 0.011 . 2 . . . . . . . . 4700 1 1731 . 1 1 163 163 LYS CG C 13 24.62 0.01 . 1 . . . . . . . . 4700 1 1732 . 1 1 163 163 LYS CD C 13 29.08 0.01 . 1 . . . . . . . . 4700 1 1733 . 1 1 163 163 LYS CE C 13 42.02 0.04 . 1 . . . . . . . . 4700 1 1734 . 1 1 163 163 LYS HG2 H 1 1.437 0.008 . 1 . . . . . . . . 4700 1 1735 . 1 1 163 163 LYS HG3 H 1 1.437 0.008 . 1 . . . . . . . . 4700 1 1736 . 1 1 163 163 LYS HD2 H 1 1.726 0.015 . 1 . . . . . . . . 4700 1 1737 . 1 1 163 163 LYS HD3 H 1 1.726 0.015 . 1 . . . . . . . . 4700 1 1738 . 1 1 163 163 LYS HE2 H 1 2.974 0.011 . 1 . . . . . . . . 4700 1 1739 . 1 1 163 163 LYS HE3 H 1 2.974 0.011 . 1 . . . . . . . . 4700 1 1740 . 1 1 164 164 GLY N N 15 113.92 0.02 . 1 . . . . . . . . 4700 1 1741 . 1 1 164 164 GLY H H 1 9.224 0.006 . 1 . . . . . . . . 4700 1 1742 . 1 1 164 164 GLY CA C 13 46.18 0.06 . 1 . . . . . . . . 4700 1 1743 . 1 1 164 164 GLY HA3 H 1 3.909 0.006 . 2 . . . . . . . . 4700 1 1744 . 1 1 164 164 GLY HA2 H 1 4.339 0.018 . 2 . . . . . . . . 4700 1 1745 . 1 1 165 165 LEU N N 15 120.42 0.06 . 1 . . . . . . . . 4700 1 1746 . 1 1 165 165 LEU H H 1 7.481 0.007 . 1 . . . . . . . . 4700 1 1747 . 1 1 165 165 LEU CA C 13 58.57 0.13 . 1 . . . . . . . . 4700 1 1748 . 1 1 165 165 LEU HA H 1 3.890 0.018 . 1 . . . . . . . . 4700 1 1749 . 1 1 165 165 LEU CB C 13 43.73 0.04 . 1 . . . . . . . . 4700 1 1750 . 1 1 165 165 LEU HB3 H 1 1.211 0.000 . 2 . . . . . . . . 4700 1 1751 . 1 1 165 165 LEU HB2 H 1 2.098 0.017 . 2 . . . . . . . . 4700 1 1752 . 1 1 165 165 LEU CG C 13 27.08 0.00 . 1 . . . . . . . . 4700 1 1753 . 1 1 165 165 LEU HG H 1 1.749 0.017 . 1 . . . . . . . . 4700 1 1754 . 1 1 165 165 LEU CD1 C 13 26.52 0.06 . 2 . . . . . . . . 4700 1 1755 . 1 1 165 165 LEU HD11 H 1 1.148 0.012 . 2 . . . . . . . . 4700 1 1756 . 1 1 165 165 LEU HD12 H 1 1.148 0.012 . 2 . . . . . . . . 4700 1 1757 . 1 1 165 165 LEU HD13 H 1 1.148 0.012 . 2 . . . . . . . . 4700 1 1758 . 1 1 165 165 LEU CD2 C 13 25.37 0.03 . 2 . . . . . . . . 4700 1 1759 . 1 1 165 165 LEU HD21 H 1 1.282 0.005 . 2 . . . . . . . . 4700 1 1760 . 1 1 165 165 LEU HD22 H 1 1.282 0.005 . 2 . . . . . . . . 4700 1 1761 . 1 1 165 165 LEU HD23 H 1 1.282 0.005 . 2 . . . . . . . . 4700 1 1762 . 1 1 166 166 LYS N N 15 117.28 0.04 . 1 . . . . . . . . 4700 1 1763 . 1 1 166 166 LYS H H 1 8.732 0.006 . 1 . . . . . . . . 4700 1 1764 . 1 1 166 166 LYS CA C 13 60.47 0.03 . 1 . . . . . . . . 4700 1 1765 . 1 1 166 166 LYS HA H 1 4.071 0.000 . 1 . . . . . . . . 4700 1 1766 . 1 1 166 166 LYS HB2 H 1 2.078 0.016 . 2 . . . . . . . . 4700 1 1767 . 1 1 166 166 LYS HD3 H 1 1.868 0.004 . 2 . . . . . . . . 4700 1 1768 . 1 1 167 167 ASN N N 15 112.45 0.05 . 1 . . . . . . . . 4700 1 1769 . 1 1 167 167 ASN H H 1 8.072 0.010 . 1 . . . . . . . . 4700 1 1770 . 1 1 167 167 ASN CA C 13 57.02 0.09 . 1 . . . . . . . . 4700 1 1771 . 1 1 167 167 ASN HA H 1 4.331 0.006 . 1 . . . . . . . . 4700 1 1772 . 1 1 167 167 ASN CB C 13 38.64 0.05 . 1 . . . . . . . . 4700 1 1773 . 1 1 167 167 ASN ND2 N 15 113.17 0.02 . 1 . . . . . . . . 4700 1 1774 . 1 1 167 167 ASN HD21 H 1 7.350 0.004 . 2 . . . . . . . . 4700 1 1775 . 1 1 167 167 ASN HD22 H 1 8.004 0.001 . 2 . . . . . . . . 4700 1 1776 . 1 1 167 167 ASN HB2 H 1 2.706 0.014 . 1 . . . . . . . . 4700 1 1777 . 1 1 167 167 ASN HB3 H 1 2.706 0.014 . 1 . . . . . . . . 4700 1 1778 . 1 1 168 168 VAL N N 15 115.60 0.02 . 1 . . . . . . . . 4700 1 1779 . 1 1 168 168 VAL H H 1 7.384 0.008 . 1 . . . . . . . . 4700 1 1780 . 1 1 168 168 VAL CA C 13 67.03 0.10 . 1 . . . . . . . . 4700 1 1781 . 1 1 168 168 VAL HA H 1 3.018 0.010 . 1 . . . . . . . . 4700 1 1782 . 1 1 168 168 VAL CB C 13 31.06 0.01 . 1 . . . . . . . . 4700 1 1783 . 1 1 168 168 VAL HB H 1 2.074 0.011 . 1 . . . . . . . . 4700 1 1784 . 1 1 168 168 VAL CG1 C 13 20.88 0.06 . 2 . . . . . . . . 4700 1 1785 . 1 1 168 168 VAL HG11 H 1 0.055 0.013 . 2 . . . . . . . . 4700 1 1786 . 1 1 168 168 VAL HG12 H 1 0.055 0.013 . 2 . . . . . . . . 4700 1 1787 . 1 1 168 168 VAL HG13 H 1 0.055 0.013 . 2 . . . . . . . . 4700 1 1788 . 1 1 168 168 VAL CG2 C 13 21.33 0.03 . 2 . . . . . . . . 4700 1 1789 . 1 1 168 168 VAL HG21 H 1 0.888 0.011 . 2 . . . . . . . . 4700 1 1790 . 1 1 168 168 VAL HG22 H 1 0.888 0.011 . 2 . . . . . . . . 4700 1 1791 . 1 1 168 168 VAL HG23 H 1 0.888 0.011 . 2 . . . . . . . . 4700 1 1792 . 1 1 169 169 PHE N N 15 114.28 0.02 . 1 . . . . . . . . 4700 1 1793 . 1 1 169 169 PHE H H 1 6.621 0.010 . 1 . . . . . . . . 4700 1 1794 . 1 1 169 169 PHE CA C 13 62.70 0.05 . 1 . . . . . . . . 4700 1 1795 . 1 1 169 169 PHE HA H 1 3.679 0.010 . 1 . . . . . . . . 4700 1 1796 . 1 1 169 169 PHE CB C 13 39.15 0.02 . 1 . . . . . . . . 4700 1 1797 . 1 1 169 169 PHE HB3 H 1 2.337 0.023 . 2 . . . . . . . . 4700 1 1798 . 1 1 169 169 PHE HB2 H 1 2.715 0.001 . 2 . . . . . . . . 4700 1 1799 . 1 1 169 169 PHE CZ C 13 127.32 0.00 . 1 . . . . . . . . 4700 1 1800 . 1 1 169 169 PHE HZ H 1 6.743 0.010 . 1 . . . . . . . . 4700 1 1801 . 1 1 169 169 PHE CD1 C 13 130.76 0.00 . 1 . . . . . . . . 4700 1 1802 . 1 1 169 169 PHE CD2 C 13 130.76 0.00 . 1 . . . . . . . . 4700 1 1803 . 1 1 169 169 PHE HD1 H 1 6.657 0.006 . 1 . . . . . . . . 4700 1 1804 . 1 1 169 169 PHE HD2 H 1 6.657 0.006 . 1 . . . . . . . . 4700 1 1805 . 1 1 169 169 PHE HE1 H 1 6.811 0.000 . 1 . . . . . . . . 4700 1 1806 . 1 1 169 169 PHE HE2 H 1 6.811 0.000 . 1 . . . . . . . . 4700 1 1807 . 1 1 170 170 ASP N N 15 120.99 0.04 . 1 . . . . . . . . 4700 1 1808 . 1 1 170 170 ASP H H 1 9.028 0.010 . 1 . . . . . . . . 4700 1 1809 . 1 1 170 170 ASP CA C 13 57.42 0.03 . 1 . . . . . . . . 4700 1 1810 . 1 1 170 170 ASP HA H 1 4.275 0.017 . 1 . . . . . . . . 4700 1 1811 . 1 1 170 170 ASP CB C 13 39.71 0.00 . 1 . . . . . . . . 4700 1 1812 . 1 1 170 170 ASP HB3 H 1 2.535 0.000 . 2 . . . . . . . . 4700 1 1813 . 1 1 170 170 ASP HB2 H 1 2.736 0.011 . 2 . . . . . . . . 4700 1 1814 . 1 1 171 171 GLU N N 15 114.30 0.04 . 1 . . . . . . . . 4700 1 1815 . 1 1 171 171 GLU H H 1 8.087 0.008 . 1 . . . . . . . . 4700 1 1816 . 1 1 171 171 GLU CA C 13 58.25 0.02 . 1 . . . . . . . . 4700 1 1817 . 1 1 171 171 GLU HA H 1 4.067 0.018 . 1 . . . . . . . . 4700 1 1818 . 1 1 171 171 GLU CB C 13 28.00 0.00 . 1 . . . . . . . . 4700 1 1819 . 1 1 171 171 GLU HG3 H 1 2.059 0.011 . 2 . . . . . . . . 4700 1 1820 . 1 1 171 171 GLU HG2 H 1 2.524 0.000 . 2 . . . . . . . . 4700 1 1821 . 1 1 171 171 GLU HB2 H 1 1.822 0.025 . 1 . . . . . . . . 4700 1 1822 . 1 1 171 171 GLU HB3 H 1 1.822 0.025 . 1 . . . . . . . . 4700 1 1823 . 1 1 172 172 ALA N N 15 123.56 0.05 . 1 . . . . . . . . 4700 1 1824 . 1 1 172 172 ALA H H 1 8.104 0.007 . 1 . . . . . . . . 4700 1 1825 . 1 1 172 172 ALA CA C 13 55.21 0.07 . 1 . . . . . . . . 4700 1 1826 . 1 1 172 172 ALA HA H 1 3.848 0.013 . 1 . . . . . . . . 4700 1 1827 . 1 1 172 172 ALA CB C 13 17.82 0.03 . 1 . . . . . . . . 4700 1 1828 . 1 1 172 172 ALA HB1 H 1 1.386 0.006 . 1 . . . . . . . . 4700 1 1829 . 1 1 172 172 ALA HB2 H 1 1.386 0.006 . 1 . . . . . . . . 4700 1 1830 . 1 1 172 172 ALA HB3 H 1 1.386 0.006 . 1 . . . . . . . . 4700 1 1831 . 1 1 173 173 ILE N N 15 117.35 0.04 . 1 . . . . . . . . 4700 1 1832 . 1 1 173 173 ILE H H 1 8.554 0.009 . 1 . . . . . . . . 4700 1 1833 . 1 1 173 173 ILE CA C 13 66.01 0.07 . 1 . . . . . . . . 4700 1 1834 . 1 1 173 173 ILE HA H 1 3.332 0.012 . 1 . . . . . . . . 4700 1 1835 . 1 1 173 173 ILE CB C 13 37.72 0.03 . 1 . . . . . . . . 4700 1 1836 . 1 1 173 173 ILE HB H 1 2.057 0.019 . 1 . . . . . . . . 4700 1 1837 . 1 1 173 173 ILE CG2 C 13 17.79 0.03 . 1 . . . . . . . . 4700 1 1838 . 1 1 173 173 ILE HG21 H 1 0.686 0.014 . 1 . . . . . . . . 4700 1 1839 . 1 1 173 173 ILE HG22 H 1 0.686 0.014 . 1 . . . . . . . . 4700 1 1840 . 1 1 173 173 ILE HG23 H 1 0.686 0.014 . 1 . . . . . . . . 4700 1 1841 . 1 1 173 173 ILE CD1 C 13 14.51 0.02 . 1 . . . . . . . . 4700 1 1842 . 1 1 173 173 ILE HD11 H 1 0.991 0.005 . 1 . . . . . . . . 4700 1 1843 . 1 1 173 173 ILE HD12 H 1 0.991 0.005 . 1 . . . . . . . . 4700 1 1844 . 1 1 173 173 ILE HD13 H 1 0.991 0.005 . 1 . . . . . . . . 4700 1 1845 . 1 1 173 173 ILE HG12 H 1 1.391 0.000 . 1 . . . . . . . . 4700 1 1846 . 1 1 173 173 ILE HG13 H 1 1.391 0.000 . 1 . . . . . . . . 4700 1 1847 . 1 1 174 174 LEU N N 15 116.57 0.04 . 1 . . . . . . . . 4700 1 1848 . 1 1 174 174 LEU H H 1 8.200 0.012 . 1 . . . . . . . . 4700 1 1849 . 1 1 174 174 LEU CA C 13 57.94 0.03 . 1 . . . . . . . . 4700 1 1850 . 1 1 174 174 LEU HA H 1 3.897 0.015 . 1 . . . . . . . . 4700 1 1851 . 1 1 174 174 LEU CB C 13 41.02 0.09 . 1 . . . . . . . . 4700 1 1852 . 1 1 174 174 LEU HB3 H 1 1.453 0.008 . 2 . . . . . . . . 4700 1 1853 . 1 1 174 174 LEU HB2 H 1 1.819 0.010 . 2 . . . . . . . . 4700 1 1854 . 1 1 174 174 LEU CG C 13 26.23 0.08 . 1 . . . . . . . . 4700 1 1855 . 1 1 174 174 LEU HG H 1 1.847 0.012 . 1 . . . . . . . . 4700 1 1856 . 1 1 174 174 LEU CD1 C 13 22.27 0.03 . 2 . . . . . . . . 4700 1 1857 . 1 1 174 174 LEU HD11 H 1 0.813 0.008 . 2 . . . . . . . . 4700 1 1858 . 1 1 174 174 LEU HD12 H 1 0.813 0.008 . 2 . . . . . . . . 4700 1 1859 . 1 1 174 174 LEU HD13 H 1 0.813 0.008 . 2 . . . . . . . . 4700 1 1860 . 1 1 174 174 LEU CD2 C 13 24.88 0.03 . 2 . . . . . . . . 4700 1 1861 . 1 1 174 174 LEU HD21 H 1 0.799 0.002 . 2 . . . . . . . . 4700 1 1862 . 1 1 174 174 LEU HD22 H 1 0.799 0.002 . 2 . . . . . . . . 4700 1 1863 . 1 1 174 174 LEU HD23 H 1 0.799 0.002 . 2 . . . . . . . . 4700 1 1864 . 1 1 175 175 ALA N N 15 118.67 0.04 . 1 . . . . . . . . 4700 1 1865 . 1 1 175 175 ALA H H 1 7.910 0.011 . 1 . . . . . . . . 4700 1 1866 . 1 1 175 175 ALA CA C 13 54.18 0.06 . 1 . . . . . . . . 4700 1 1867 . 1 1 175 175 ALA HA H 1 4.122 0.011 . 1 . . . . . . . . 4700 1 1868 . 1 1 175 175 ALA CB C 13 18.28 0.05 . 1 . . . . . . . . 4700 1 1869 . 1 1 175 175 ALA HB1 H 1 1.433 0.006 . 1 . . . . . . . . 4700 1 1870 . 1 1 175 175 ALA HB2 H 1 1.433 0.006 . 1 . . . . . . . . 4700 1 1871 . 1 1 175 175 ALA HB3 H 1 1.433 0.006 . 1 . . . . . . . . 4700 1 1872 . 1 1 176 176 ALA N N 15 116.57 0.05 . 1 . . . . . . . . 4700 1 1873 . 1 1 176 176 ALA H H 1 7.898 0.004 . 1 . . . . . . . . 4700 1 1874 . 1 1 176 176 ALA CA C 13 53.62 0.03 . 1 . . . . . . . . 4700 1 1875 . 1 1 176 176 ALA HA H 1 4.056 0.014 . 1 . . . . . . . . 4700 1 1876 . 1 1 176 176 ALA CB C 13 19.55 0.05 . 1 . . . . . . . . 4700 1 1877 . 1 1 176 176 ALA HB1 H 1 1.406 0.009 . 1 . . . . . . . . 4700 1 1878 . 1 1 176 176 ALA HB2 H 1 1.406 0.009 . 1 . . . . . . . . 4700 1 1879 . 1 1 176 176 ALA HB3 H 1 1.406 0.009 . 1 . . . . . . . . 4700 1 1880 . 1 1 177 177 LEU N N 15 114.30 0.03 . 1 . . . . . . . . 4700 1 1881 . 1 1 177 177 LEU H H 1 7.769 0.014 . 1 . . . . . . . . 4700 1 1882 . 1 1 177 177 LEU CA C 13 55.33 0.05 . 1 . . . . . . . . 4700 1 1883 . 1 1 177 177 LEU HA H 1 4.293 0.010 . 1 . . . . . . . . 4700 1 1884 . 1 1 177 177 LEU CB C 13 42.93 0.02 . 1 . . . . . . . . 4700 1 1885 . 1 1 177 177 LEU HB3 H 1 1.575 0.010 . 2 . . . . . . . . 4700 1 1886 . 1 1 177 177 LEU HB2 H 1 1.716 0.012 . 2 . . . . . . . . 4700 1 1887 . 1 1 177 177 LEU CG C 13 26.19 0.06 . 1 . . . . . . . . 4700 1 1888 . 1 1 177 177 LEU HG H 1 1.801 0.015 . 1 . . . . . . . . 4700 1 1889 . 1 1 177 177 LEU CD1 C 13 25.28 0.10 . 2 . . . . . . . . 4700 1 1890 . 1 1 177 177 LEU HD11 H 1 0.600 0.011 . 2 . . . . . . . . 4700 1 1891 . 1 1 177 177 LEU HD12 H 1 0.600 0.011 . 2 . . . . . . . . 4700 1 1892 . 1 1 177 177 LEU HD13 H 1 0.600 0.011 . 2 . . . . . . . . 4700 1 1893 . 1 1 177 177 LEU CD2 C 13 22.15 0.03 . 2 . . . . . . . . 4700 1 1894 . 1 1 177 177 LEU HD21 H 1 0.785 0.007 . 2 . . . . . . . . 4700 1 1895 . 1 1 177 177 LEU HD22 H 1 0.785 0.007 . 2 . . . . . . . . 4700 1 1896 . 1 1 177 177 LEU HD23 H 1 0.785 0.007 . 2 . . . . . . . . 4700 1 1897 . 1 1 178 178 GLU N N 15 119.70 0.06 . 1 . . . . . . . . 4700 1 1898 . 1 1 178 178 GLU H H 1 7.739 0.006 . 1 . . . . . . . . 4700 1 1899 . 1 1 178 178 GLU CA C 13 54.09 0.01 . 1 . . . . . . . . 4700 1 1900 . 1 1 178 178 GLU HA H 1 4.638 0.004 . 1 . . . . . . . . 4700 1 1901 . 1 1 178 178 GLU CB C 13 29.80 0.02 . 1 . . . . . . . . 4700 1 1902 . 1 1 178 178 GLU CG C 13 35.41 0.00 . 1 . . . . . . . . 4700 1 1903 . 1 1 178 178 GLU HB2 H 1 2.039 0.007 . 1 . . . . . . . . 4700 1 1904 . 1 1 178 178 GLU HB3 H 1 2.039 0.007 . 1 . . . . . . . . 4700 1 1905 . 1 1 178 178 GLU HG2 H 1 2.349 0.008 . 1 . . . . . . . . 4700 1 1906 . 1 1 178 178 GLU HG3 H 1 2.349 0.008 . 1 . . . . . . . . 4700 1 1907 . 1 1 179 179 PRO CA C 13 61.48 0.04 . 1 . . . . . . . . 4700 1 1908 . 1 1 179 179 PRO HA H 1 4.823 0.022 . 1 . . . . . . . . 4700 1 1909 . 1 1 179 179 PRO CB C 13 30.80 0.02 . 1 . . . . . . . . 4700 1 1910 . 1 1 179 179 PRO HB3 H 1 2.020 0.006 . 2 . . . . . . . . 4700 1 1911 . 1 1 179 179 PRO HB2 H 1 2.428 0.007 . 2 . . . . . . . . 4700 1 1912 . 1 1 179 179 PRO CG C 13 27.22 0.03 . 1 . . . . . . . . 4700 1 1913 . 1 1 179 179 PRO CD C 13 50.22 0.00 . 1 . . . . . . . . 4700 1 1914 . 1 1 179 179 PRO HD3 H 1 3.662 0.002 . 2 . . . . . . . . 4700 1 1915 . 1 1 179 179 PRO HD2 H 1 3.759 0.001 . 2 . . . . . . . . 4700 1 1916 . 1 1 179 179 PRO HG2 H 1 2.110 0.007 . 1 . . . . . . . . 4700 1 1917 . 1 1 179 179 PRO HG3 H 1 2.110 0.007 . 1 . . . . . . . . 4700 1 1918 . 1 1 180 180 PRO CA C 13 62.88 0.03 . 1 . . . . . . . . 4700 1 1919 . 1 1 180 180 PRO HA H 1 4.503 0.003 . 1 . . . . . . . . 4700 1 1920 . 1 1 180 180 PRO CB C 13 31.81 0.04 . 1 . . . . . . . . 4700 1 1921 . 1 1 180 180 PRO HB3 H 1 1.970 0.004 . 2 . . . . . . . . 4700 1 1922 . 1 1 180 180 PRO HB2 H 1 2.360 0.010 . 2 . . . . . . . . 4700 1 1923 . 1 1 180 180 PRO CG C 13 27.28 0.00 . 1 . . . . . . . . 4700 1 1924 . 1 1 180 180 PRO CD C 13 50.22 0.00 . 1 . . . . . . . . 4700 1 1925 . 1 1 180 180 PRO HD3 H 1 3.750 0.005 . 2 . . . . . . . . 4700 1 1926 . 1 1 180 180 PRO HD2 H 1 3.934 0.013 . 2 . . . . . . . . 4700 1 1927 . 1 1 180 180 PRO HG2 H 1 2.096 0.002 . 1 . . . . . . . . 4700 1 1928 . 1 1 180 180 PRO HG3 H 1 2.096 0.002 . 1 . . . . . . . . 4700 1 1929 . 1 1 181 181 GLU N N 15 120.05 0.02 . 1 . . . . . . . . 4700 1 1930 . 1 1 181 181 GLU H H 1 8.320 0.011 . 1 . . . . . . . . 4700 1 1931 . 1 1 181 181 GLU CA C 13 53.93 0.08 . 1 . . . . . . . . 4700 1 1932 . 1 1 181 181 GLU HA H 1 4.646 0.006 . 1 . . . . . . . . 4700 1 1933 . 1 1 181 181 GLU CB C 13 29.96 0.00 . 1 . . . . . . . . 4700 1 1934 . 1 1 181 181 GLU HB3 H 1 1.978 0.014 . 2 . . . . . . . . 4700 1 1935 . 1 1 181 181 GLU HB2 H 1 2.073 0.013 . 2 . . . . . . . . 4700 1 1936 . 1 1 181 181 GLU CG C 13 35.75 0.02 . 1 . . . . . . . . 4700 1 1937 . 1 1 181 181 GLU HG2 H 1 2.341 0.006 . 1 . . . . . . . . 4700 1 1938 . 1 1 181 181 GLU HG3 H 1 2.341 0.006 . 1 . . . . . . . . 4700 1 1939 . 1 1 182 182 PRO CA C 13 62.91 0.04 . 1 . . . . . . . . 4700 1 1940 . 1 1 182 182 PRO HA H 1 4.455 0.006 . 1 . . . . . . . . 4700 1 1941 . 1 1 182 182 PRO CB C 13 31.95 0.04 . 1 . . . . . . . . 4700 1 1942 . 1 1 182 182 PRO HB3 H 1 1.941 0.009 . 2 . . . . . . . . 4700 1 1943 . 1 1 182 182 PRO HB2 H 1 2.348 0.007 . 2 . . . . . . . . 4700 1 1944 . 1 1 182 182 PRO CG C 13 27.21 0.00 . 1 . . . . . . . . 4700 1 1945 . 1 1 182 182 PRO CD C 13 50.55 0.02 . 1 . . . . . . . . 4700 1 1946 . 1 1 182 182 PRO HD3 H 1 3.725 0.006 . 2 . . . . . . . . 4700 1 1947 . 1 1 182 182 PRO HD2 H 1 3.898 0.007 . 2 . . . . . . . . 4700 1 1948 . 1 1 182 182 PRO HG2 H 1 2.071 0.009 . 1 . . . . . . . . 4700 1 1949 . 1 1 182 182 PRO HG3 H 1 2.071 0.009 . 1 . . . . . . . . 4700 1 1950 . 1 1 183 183 LYS N N 15 121.21 0.06 . 1 . . . . . . . . 4700 1 1951 . 1 1 183 183 LYS H H 1 8.501 0.006 . 1 . . . . . . . . 4700 1 1952 . 1 1 183 183 LYS CA C 13 56.15 0.02 . 1 . . . . . . . . 4700 1 1953 . 1 1 183 183 LYS HA H 1 4.344 0.006 . 1 . . . . . . . . 4700 1 1954 . 1 1 183 183 LYS CB C 13 32.91 0.02 . 1 . . . . . . . . 4700 1 1955 . 1 1 183 183 LYS HB3 H 1 1.815 0.006 . 2 . . . . . . . . 4700 1 1956 . 1 1 183 183 LYS HB2 H 1 1.911 0.007 . 2 . . . . . . . . 4700 1 1957 . 1 1 183 183 LYS CG C 13 24.62 0.01 . 1 . . . . . . . . 4700 1 1958 . 1 1 183 183 LYS CD C 13 28.97 0.00 . 1 . . . . . . . . 4700 1 1959 . 1 1 183 183 LYS CE C 13 42.10 0.00 . 1 . . . . . . . . 4700 1 1960 . 1 1 183 183 LYS HG2 H 1 1.547 0.009 . 1 . . . . . . . . 4700 1 1961 . 1 1 183 183 LYS HG3 H 1 1.547 0.009 . 1 . . . . . . . . 4700 1 1962 . 1 1 183 183 LYS HD2 H 1 1.752 0.002 . 1 . . . . . . . . 4700 1 1963 . 1 1 183 183 LYS HD3 H 1 1.752 0.002 . 1 . . . . . . . . 4700 1 1964 . 1 1 183 183 LYS HE2 H 1 3.063 0.004 . 1 . . . . . . . . 4700 1 1965 . 1 1 183 183 LYS HE3 H 1 3.063 0.004 . 1 . . . . . . . . 4700 1 1966 . 1 1 184 184 LYS N N 15 127.07 0.05 . 1 . . . . . . . . 4700 1 1967 . 1 1 184 184 LYS H H 1 8.045 0.012 . 1 . . . . . . . . 4700 1 1968 . 1 1 184 184 LYS CA C 13 57.54 0.02 . 1 . . . . . . . . 4700 1 1969 . 1 1 184 184 LYS HA H 1 4.196 0.011 . 1 . . . . . . . . 4700 1 1970 . 1 1 184 184 LYS CB C 13 33.61 0.05 . 1 . . . . . . . . 4700 1 1971 . 1 1 184 184 LYS HB3 H 1 1.754 0.009 . 2 . . . . . . . . 4700 1 1972 . 1 1 184 184 LYS HB2 H 1 1.861 0.008 . 2 . . . . . . . . 4700 1 1973 . 1 1 184 184 LYS CG C 13 24.37 0.02 . 1 . . . . . . . . 4700 1 1974 . 1 1 184 184 LYS CD C 13 29.01 0.00 . 1 . . . . . . . . 4700 1 1975 . 1 1 184 184 LYS CE C 13 42.05 0.00 . 1 . . . . . . . . 4700 1 1976 . 1 1 184 184 LYS HG2 H 1 1.439 0.025 . 1 . . . . . . . . 4700 1 1977 . 1 1 184 184 LYS HG3 H 1 1.439 0.025 . 1 . . . . . . . . 4700 1 1978 . 1 1 184 184 LYS HD2 H 1 1.703 0.004 . 1 . . . . . . . . 4700 1 1979 . 1 1 184 184 LYS HD3 H 1 1.703 0.004 . 1 . . . . . . . . 4700 1 1980 . 1 1 184 184 LYS HE2 H 1 3.035 0.003 . 1 . . . . . . . . 4700 1 1981 . 1 1 184 184 LYS HE3 H 1 3.035 0.003 . 1 . . . . . . . . 4700 1 1982 . 1 1 185 185 GNP HN1 H 1 10.733 0.001 . 1 . . . . . . . . 4700 1 1983 . 1 1 185 185 GNP H8 H 1 8.091 0.000 . 1 . . . . . . . . 4700 1 1984 . 1 1 185 185 GNP H1' H 1 6.033 0.005 . 1 . . . . . . . . 4700 1 1985 . 1 1 185 185 GNP H2' H 1 4.904 0.000 . 1 . . . . . . . . 4700 1 1986 . 1 1 185 185 GNP H3' H 1 4.722 0.000 . 1 . . . . . . . . 4700 1 1987 . 1 1 185 185 GNP HN21 H 1 12.781 0.029 . 1 . . . . . . . . 4700 1 1988 . 1 1 185 185 GNP HN22 H 1 12.781 0.029 . 1 . . . . . . . . 4700 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 4700 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4700 2 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 . 2 2 1 1 GLY CA C 13 43.19 0.07 . 1 . . . . . . . . 4700 2 2 . 2 2 1 1 GLY HA3 H 1 3.836 0.031 . 2 . . . . . . . . 4700 2 3 . 2 2 1 1 GLY HA2 H 1 3.944 0.016 . 2 . . . . . . . . 4700 2 4 . 2 2 2 2 SER N N 15 115.49 0.04 . 1 . . . . . . . . 4700 2 5 . 2 2 2 2 SER H H 1 8.751 0.015 . 1 . . . . . . . . 4700 2 6 . 2 2 2 2 SER CA C 13 58.11 0.03 . 1 . . . . . . . . 4700 2 7 . 2 2 2 2 SER HA H 1 4.540 0.012 . 1 . . . . . . . . 4700 2 8 . 2 2 2 2 SER CB C 13 63.58 0.09 . 1 . . . . . . . . 4700 2 9 . 2 2 2 2 SER HB2 H 1 3.894 0.017 . 1 . . . . . . . . 4700 2 10 . 2 2 2 2 SER HB3 H 1 3.894 0.017 . 1 . . . . . . . . 4700 2 11 . 2 2 3 3 ILE N N 15 124.45 0.06 . 1 . . . . . . . . 4700 2 12 . 2 2 3 3 ILE H H 1 8.500 0.012 . 1 . . . . . . . . 4700 2 13 . 2 2 3 3 ILE CA C 13 60.75 0.05 . 1 . . . . . . . . 4700 2 14 . 2 2 3 3 ILE HA H 1 4.801 0.011 . 1 . . . . . . . . 4700 2 15 . 2 2 3 3 ILE CB C 13 39.19 0.08 . 1 . . . . . . . . 4700 2 16 . 2 2 3 3 ILE HB H 1 1.616 0.011 . 1 . . . . . . . . 4700 2 17 . 2 2 3 3 ILE CG1 C 13 28.21 0.11 . 1 . . . . . . . . 4700 2 18 . 2 2 3 3 ILE HG13 H 1 0.923 0.002 . 2 . . . . . . . . 4700 2 19 . 2 2 3 3 ILE HG12 H 1 1.643 0.010 . 2 . . . . . . . . 4700 2 20 . 2 2 3 3 ILE CG2 C 13 17.96 0.05 . 1 . . . . . . . . 4700 2 21 . 2 2 3 3 ILE HG21 H 1 1.036 0.019 . 1 . . . . . . . . 4700 2 22 . 2 2 3 3 ILE HG22 H 1 1.036 0.019 . 1 . . . . . . . . 4700 2 23 . 2 2 3 3 ILE HG23 H 1 1.036 0.019 . 1 . . . . . . . . 4700 2 24 . 2 2 3 3 ILE CD1 C 13 13.65 0.05 . 1 . . . . . . . . 4700 2 25 . 2 2 3 3 ILE HD11 H 1 0.840 0.013 . 1 . . . . . . . . 4700 2 26 . 2 2 3 3 ILE HD12 H 1 0.840 0.013 . 1 . . . . . . . . 4700 2 27 . 2 2 3 3 ILE HD13 H 1 0.840 0.013 . 1 . . . . . . . . 4700 2 28 . 2 2 4 4 SER N N 15 125.93 0.04 . 1 . . . . . . . . 4700 2 29 . 2 2 4 4 SER H H 1 8.932 0.018 . 1 . . . . . . . . 4700 2 30 . 2 2 4 4 SER CA C 13 59.02 0.05 . 1 . . . . . . . . 4700 2 31 . 2 2 4 4 SER HA H 1 4.544 0.004 . 1 . . . . . . . . 4700 2 32 . 2 2 4 4 SER CB C 13 65.76 0.03 . 1 . . . . . . . . 4700 2 33 . 2 2 4 4 SER HB2 H 1 4.002 0.010 . 1 . . . . . . . . 4700 2 34 . 2 2 4 4 SER HB3 H 1 4.002 0.010 . 1 . . . . . . . . 4700 2 35 . 2 2 5 5 LEU N N 15 117.35 0.02 . 1 . . . . . . . . 4700 2 36 . 2 2 5 5 LEU H H 1 8.234 0.011 . 1 . . . . . . . . 4700 2 37 . 2 2 5 5 LEU CA C 13 62.56 0.00 . 1 . . . . . . . . 4700 2 38 . 2 2 5 5 LEU HA H 1 4.496 0.013 . 1 . . . . . . . . 4700 2 39 . 2 2 5 5 LEU CB C 13 40.85 0.05 . 1 . . . . . . . . 4700 2 40 . 2 2 5 5 LEU HB3 H 1 1.693 0.013 . 2 . . . . . . . . 4700 2 41 . 2 2 5 5 LEU HB2 H 1 1.746 0.018 . 2 . . . . . . . . 4700 2 42 . 2 2 5 5 LEU CG C 13 27.59 0.08 . 1 . . . . . . . . 4700 2 43 . 2 2 5 5 LEU HG H 1 1.802 0.008 . 1 . . . . . . . . 4700 2 44 . 2 2 5 5 LEU CD1 C 13 25.04 0.08 . 2 . . . . . . . . 4700 2 45 . 2 2 5 5 LEU HD11 H 1 1.060 0.003 . 2 . . . . . . . . 4700 2 46 . 2 2 5 5 LEU HD12 H 1 1.060 0.003 . 2 . . . . . . . . 4700 2 47 . 2 2 5 5 LEU HD13 H 1 1.060 0.003 . 2 . . . . . . . . 4700 2 48 . 2 2 5 5 LEU CD2 C 13 22.70 0.09 . 2 . . . . . . . . 4700 2 49 . 2 2 5 5 LEU HD21 H 1 1.133 0.002 . 2 . . . . . . . . 4700 2 50 . 2 2 5 5 LEU HD22 H 1 1.133 0.002 . 2 . . . . . . . . 4700 2 51 . 2 2 5 5 LEU HD23 H 1 1.133 0.002 . 2 . . . . . . . . 4700 2 52 . 2 2 6 6 PRO CA C 13 62.56 0.04 . 1 . . . . . . . . 4700 2 53 . 2 2 6 6 PRO HA H 1 5.067 0.005 . 1 . . . . . . . . 4700 2 54 . 2 2 6 6 PRO CB C 13 32.22 0.09 . 1 . . . . . . . . 4700 2 55 . 2 2 6 6 PRO HB3 H 1 1.595 0.014 . 2 . . . . . . . . 4700 2 56 . 2 2 6 6 PRO HB2 H 1 1.827 0.018 . 2 . . . . . . . . 4700 2 57 . 2 2 6 6 PRO CG C 13 26.70 0.09 . 1 . . . . . . . . 4700 2 58 . 2 2 6 6 PRO HG3 H 1 0.745 0.022 . 2 . . . . . . . . 4700 2 59 . 2 2 6 6 PRO HG2 H 1 1.412 0.002 . 2 . . . . . . . . 4700 2 60 . 2 2 6 6 PRO CD C 13 50.05 0.05 . 1 . . . . . . . . 4700 2 61 . 2 2 6 6 PRO HD3 H 1 3.333 0.019 . 2 . . . . . . . . 4700 2 62 . 2 2 6 6 PRO HD2 H 1 3.487 0.021 . 2 . . . . . . . . 4700 2 63 . 2 2 7 7 SER N N 15 115.25 0.02 . 1 . . . . . . . . 4700 2 64 . 2 2 7 7 SER H H 1 9.163 0.015 . 1 . . . . . . . . 4700 2 65 . 2 2 7 7 SER CA C 13 57.03 0.06 . 1 . . . . . . . . 4700 2 66 . 2 2 7 7 SER HA H 1 4.787 0.007 . 1 . . . . . . . . 4700 2 67 . 2 2 7 7 SER CB C 13 66.27 0.08 . 1 . . . . . . . . 4700 2 68 . 2 2 7 7 SER HB3 H 1 3.746 0.009 . 2 . . . . . . . . 4700 2 69 . 2 2 7 7 SER HB2 H 1 3.932 0.013 . 2 . . . . . . . . 4700 2 70 . 2 2 8 8 ASP N N 15 115.82 0.04 . 1 . . . . . . . . 4700 2 71 . 2 2 8 8 ASP H H 1 8.796 0.013 . 1 . . . . . . . . 4700 2 72 . 2 2 8 8 ASP CA C 13 54.93 0.09 . 1 . . . . . . . . 4700 2 73 . 2 2 8 8 ASP HA H 1 4.337 0.008 . 1 . . . . . . . . 4700 2 74 . 2 2 8 8 ASP CB C 13 38.73 0.06 . 1 . . . . . . . . 4700 2 75 . 2 2 8 8 ASP HB2 H 1 2.879 0.017 . 1 . . . . . . . . 4700 2 76 . 2 2 8 8 ASP HB3 H 1 2.879 0.017 . 1 . . . . . . . . 4700 2 77 . 2 2 9 9 PHE N N 15 116.56 0.05 . 1 . . . . . . . . 4700 2 78 . 2 2 9 9 PHE H H 1 8.117 0.013 . 1 . . . . . . . . 4700 2 79 . 2 2 9 9 PHE CA C 13 59.44 0.03 . 1 . . . . . . . . 4700 2 80 . 2 2 9 9 PHE HA H 1 4.883 0.009 . 1 . . . . . . . . 4700 2 81 . 2 2 9 9 PHE CB C 13 39.45 0.01 . 1 . . . . . . . . 4700 2 82 . 2 2 9 9 PHE HB3 H 1 2.730 0.014 . 2 . . . . . . . . 4700 2 83 . 2 2 9 9 PHE HB2 H 1 2.903 0.029 . 2 . . . . . . . . 4700 2 84 . 2 2 9 9 PHE CZ C 13 128.47 0.08 . 1 . . . . . . . . 4700 2 85 . 2 2 9 9 PHE HZ H 1 6.834 0.011 . 1 . . . . . . . . 4700 2 86 . 2 2 9 9 PHE CD1 C 13 131.27 0.02 . 1 . . . . . . . . 4700 2 87 . 2 2 9 9 PHE CD2 C 13 131.27 0.02 . 1 . . . . . . . . 4700 2 88 . 2 2 9 9 PHE HD1 H 1 6.910 0.011 . 1 . . . . . . . . 4700 2 89 . 2 2 9 9 PHE HD2 H 1 6.910 0.011 . 1 . . . . . . . . 4700 2 90 . 2 2 9 9 PHE CE1 C 13 131.24 0.05 . 1 . . . . . . . . 4700 2 91 . 2 2 9 9 PHE CE2 C 13 131.24 0.05 . 1 . . . . . . . . 4700 2 92 . 2 2 9 9 PHE HE1 H 1 7.015 0.009 . 1 . . . . . . . . 4700 2 93 . 2 2 9 9 PHE HE2 H 1 7.015 0.009 . 1 . . . . . . . . 4700 2 94 . 2 2 10 10 GLU N N 15 126.68 0.08 . 1 . . . . . . . . 4700 2 95 . 2 2 10 10 GLU H H 1 8.676 0.015 . 1 . . . . . . . . 4700 2 96 . 2 2 10 10 GLU CA C 13 54.62 0.06 . 1 . . . . . . . . 4700 2 97 . 2 2 10 10 GLU HA H 1 4.201 0.014 . 1 . . . . . . . . 4700 2 98 . 2 2 10 10 GLU CB C 13 33.41 0.05 . 1 . . . . . . . . 4700 2 99 . 2 2 10 10 GLU HB3 H 1 1.749 0.011 . 2 . . . . . . . . 4700 2 100 . 2 2 10 10 GLU HB2 H 1 1.859 0.015 . 2 . . . . . . . . 4700 2 101 . 2 2 10 10 GLU CG C 13 35.50 0.05 . 1 . . . . . . . . 4700 2 102 . 2 2 10 10 GLU HG3 H 1 2.044 0.015 . 2 . . . . . . . . 4700 2 103 . 2 2 10 10 GLU HG2 H 1 2.211 0.016 . 2 . . . . . . . . 4700 2 104 . 2 2 11 11 HIS N N 15 124.38 0.15 . 1 . . . . . . . . 4700 2 105 . 2 2 11 11 HIS H H 1 8.998 0.014 . 1 . . . . . . . . 4700 2 106 . 2 2 11 11 HIS CA C 13 51.74 0.01 . 1 . . . . . . . . 4700 2 107 . 2 2 11 11 HIS HA H 1 5.061 0.016 . 1 . . . . . . . . 4700 2 108 . 2 2 11 11 HIS CB C 13 29.40 0.07 . 1 . . . . . . . . 4700 2 109 . 2 2 11 11 HIS HB3 H 1 2.891 0.016 . 2 . . . . . . . . 4700 2 110 . 2 2 11 11 HIS HB2 H 1 3.525 0.022 . 2 . . . . . . . . 4700 2 111 . 2 2 11 11 HIS CD2 C 13 116.65 0.05 . 1 . . . . . . . . 4700 2 112 . 2 2 11 11 HIS HD2 H 1 7.018 0.021 . 1 . . . . . . . . 4700 2 113 . 2 2 11 11 HIS CE1 C 13 136.12 0.00 . 1 . . . . . . . . 4700 2 114 . 2 2 11 11 HIS HE1 H 1 8.667 0.000 . 1 . . . . . . . . 4700 2 115 . 2 2 12 12 THR N N 15 119.09 0.12 . 1 . . . . . . . . 4700 2 116 . 2 2 12 12 THR H H 1 8.066 0.021 . 1 . . . . . . . . 4700 2 117 . 2 2 12 12 THR CA C 13 64.64 0.03 . 1 . . . . . . . . 4700 2 118 . 2 2 12 12 THR HA H 1 4.013 0.019 . 1 . . . . . . . . 4700 2 119 . 2 2 12 12 THR CB C 13 68.44 0.07 . 1 . . . . . . . . 4700 2 120 . 2 2 12 12 THR HB H 1 3.955 0.013 . 1 . . . . . . . . 4700 2 121 . 2 2 12 12 THR CG2 C 13 22.36 0.06 . 1 . . . . . . . . 4700 2 122 . 2 2 12 12 THR HG21 H 1 1.090 0.018 . 1 . . . . . . . . 4700 2 123 . 2 2 12 12 THR HG22 H 1 1.090 0.018 . 1 . . . . . . . . 4700 2 124 . 2 2 12 12 THR HG23 H 1 1.090 0.018 . 1 . . . . . . . . 4700 2 125 . 2 2 13 13 ILE N N 15 117.85 0.05 . 1 . . . . . . . . 4700 2 126 . 2 2 13 13 ILE H H 1 7.370 0.021 . 1 . . . . . . . . 4700 2 127 . 2 2 13 13 ILE CA C 13 59.89 0.05 . 1 . . . . . . . . 4700 2 128 . 2 2 13 13 ILE HA H 1 4.370 0.018 . 1 . . . . . . . . 4700 2 129 . 2 2 13 13 ILE CB C 13 41.76 0.07 . 1 . . . . . . . . 4700 2 130 . 2 2 13 13 ILE HB H 1 1.605 0.010 . 1 . . . . . . . . 4700 2 131 . 2 2 13 13 ILE CG1 C 13 26.71 0.07 . 1 . . . . . . . . 4700 2 132 . 2 2 13 13 ILE HG13 H 1 1.093 0.021 . 2 . . . . . . . . 4700 2 133 . 2 2 13 13 ILE HG12 H 1 1.522 0.018 . 2 . . . . . . . . 4700 2 134 . 2 2 13 13 ILE CG2 C 13 17.40 0.02 . 1 . . . . . . . . 4700 2 135 . 2 2 13 13 ILE HG21 H 1 0.866 0.014 . 1 . . . . . . . . 4700 2 136 . 2 2 13 13 ILE HG22 H 1 0.866 0.014 . 1 . . . . . . . . 4700 2 137 . 2 2 13 13 ILE HG23 H 1 0.866 0.014 . 1 . . . . . . . . 4700 2 138 . 2 2 13 13 ILE CD1 C 13 12.15 0.05 . 1 . . . . . . . . 4700 2 139 . 2 2 13 13 ILE HD11 H 1 0.755 0.015 . 1 . . . . . . . . 4700 2 140 . 2 2 13 13 ILE HD12 H 1 0.755 0.015 . 1 . . . . . . . . 4700 2 141 . 2 2 13 13 ILE HD13 H 1 0.755 0.015 . 1 . . . . . . . . 4700 2 142 . 2 2 14 14 HIS N N 15 125.58 0.01 . 1 . . . . . . . . 4700 2 143 . 2 2 14 14 HIS H H 1 8.876 0.013 . 1 . . . . . . . . 4700 2 144 . 2 2 14 14 HIS CA C 13 55.00 0.05 . 1 . . . . . . . . 4700 2 145 . 2 2 14 14 HIS HA H 1 5.474 0.005 . 1 . . . . . . . . 4700 2 146 . 2 2 14 14 HIS CB C 13 31.01 0.01 . 1 . . . . . . . . 4700 2 147 . 2 2 14 14 HIS HB3 H 1 2.551 0.020 . 2 . . . . . . . . 4700 2 148 . 2 2 14 14 HIS HB2 H 1 3.025 0.022 . 2 . . . . . . . . 4700 2 149 . 2 2 14 14 HIS CD2 C 13 120.17 0.10 . 1 . . . . . . . . 4700 2 150 . 2 2 14 14 HIS HD2 H 1 7.128 0.014 . 1 . . . . . . . . 4700 2 151 . 2 2 14 14 HIS CE1 C 13 137.57 0.03 . 1 . . . . . . . . 4700 2 152 . 2 2 14 14 HIS HE1 H 1 8.415 0.000 . 1 . . . . . . . . 4700 2 153 . 2 2 15 15 VAL N N 15 127.78 0.07 . 1 . . . . . . . . 4700 2 154 . 2 2 15 15 VAL H H 1 8.383 0.012 . 1 . . . . . . . . 4700 2 155 . 2 2 15 15 VAL CA C 13 60.14 0.06 . 1 . . . . . . . . 4700 2 156 . 2 2 15 15 VAL HA H 1 4.910 0.014 . 1 . . . . . . . . 4700 2 157 . 2 2 15 15 VAL CB C 13 32.15 0.02 . 1 . . . . . . . . 4700 2 158 . 2 2 15 15 VAL HB H 1 2.099 0.017 . 1 . . . . . . . . 4700 2 159 . 2 2 15 15 VAL CG1 C 13 22.93 0.03 . 2 . . . . . . . . 4700 2 160 . 2 2 15 15 VAL HG11 H 1 1.018 0.016 . 2 . . . . . . . . 4700 2 161 . 2 2 15 15 VAL HG12 H 1 1.018 0.016 . 2 . . . . . . . . 4700 2 162 . 2 2 15 15 VAL HG13 H 1 1.018 0.016 . 2 . . . . . . . . 4700 2 163 . 2 2 15 15 VAL CG2 C 13 22.45 0.06 . 2 . . . . . . . . 4700 2 164 . 2 2 15 15 VAL HG21 H 1 1.145 0.016 . 2 . . . . . . . . 4700 2 165 . 2 2 15 15 VAL HG22 H 1 1.145 0.016 . 2 . . . . . . . . 4700 2 166 . 2 2 15 15 VAL HG23 H 1 1.145 0.016 . 2 . . . . . . . . 4700 2 167 . 2 2 16 16 GLY N N 15 114.32 0.03 . 1 . . . . . . . . 4700 2 168 . 2 2 16 16 GLY H H 1 8.647 0.014 . 1 . . . . . . . . 4700 2 169 . 2 2 16 16 GLY CA C 13 43.00 0.05 . 1 . . . . . . . . 4700 2 170 . 2 2 16 16 GLY HA3 H 1 3.557 0.013 . 2 . . . . . . . . 4700 2 171 . 2 2 16 16 GLY HA2 H 1 4.641 0.005 . 2 . . . . . . . . 4700 2 172 . 2 2 17 17 PHE N N 15 119.22 0.01 . 1 . . . . . . . . 4700 2 173 . 2 2 17 17 PHE H H 1 8.605 0.013 . 1 . . . . . . . . 4700 2 174 . 2 2 17 17 PHE CA C 13 57.19 0.10 . 1 . . . . . . . . 4700 2 175 . 2 2 17 17 PHE HA H 1 4.930 0.009 . 1 . . . . . . . . 4700 2 176 . 2 2 17 17 PHE CB C 13 42.26 0.05 . 1 . . . . . . . . 4700 2 177 . 2 2 17 17 PHE HB3 H 1 2.818 0.016 . 2 . . . . . . . . 4700 2 178 . 2 2 17 17 PHE HB2 H 1 2.848 0.003 . 2 . . . . . . . . 4700 2 179 . 2 2 17 17 PHE CZ C 13 128.98 0.01 . 1 . . . . . . . . 4700 2 180 . 2 2 17 17 PHE HZ H 1 7.143 0.011 . 1 . . . . . . . . 4700 2 181 . 2 2 17 17 PHE CD1 C 13 131.47 0.02 . 1 . . . . . . . . 4700 2 182 . 2 2 17 17 PHE CD2 C 13 131.47 0.02 . 1 . . . . . . . . 4700 2 183 . 2 2 17 17 PHE HD1 H 1 6.490 0.007 . 1 . . . . . . . . 4700 2 184 . 2 2 17 17 PHE HD2 H 1 6.490 0.007 . 1 . . . . . . . . 4700 2 185 . 2 2 17 17 PHE CE1 C 13 130.43 0.02 . 1 . . . . . . . . 4700 2 186 . 2 2 17 17 PHE CE2 C 13 130.43 0.02 . 1 . . . . . . . . 4700 2 187 . 2 2 17 17 PHE HE1 H 1 6.935 0.002 . 1 . . . . . . . . 4700 2 188 . 2 2 17 17 PHE HE2 H 1 6.935 0.002 . 1 . . . . . . . . 4700 2 189 . 2 2 18 18 ASP N N 15 128.17 0.05 . 1 . . . . . . . . 4700 2 190 . 2 2 18 18 ASP H H 1 7.982 0.015 . 1 . . . . . . . . 4700 2 191 . 2 2 18 18 ASP CA C 13 52.08 0.04 . 1 . . . . . . . . 4700 2 192 . 2 2 18 18 ASP HA H 1 4.588 0.007 . 1 . . . . . . . . 4700 2 193 . 2 2 18 18 ASP CB C 13 41.73 0.05 . 1 . . . . . . . . 4700 2 194 . 2 2 18 18 ASP HB3 H 1 2.237 0.011 . 2 . . . . . . . . 4700 2 195 . 2 2 18 18 ASP HB2 H 1 2.899 0.015 . 2 . . . . . . . . 4700 2 196 . 2 2 19 19 ALA N N 15 126.35 0.02 . 1 . . . . . . . . 4700 2 197 . 2 2 19 19 ALA H H 1 8.571 0.014 . 1 . . . . . . . . 4700 2 198 . 2 2 19 19 ALA CA C 13 53.74 0.03 . 1 . . . . . . . . 4700 2 199 . 2 2 19 19 ALA HA H 1 3.867 0.011 . 1 . . . . . . . . 4700 2 200 . 2 2 19 19 ALA CB C 13 18.45 0.07 . 1 . . . . . . . . 4700 2 201 . 2 2 19 19 ALA HB1 H 1 1.523 0.012 . 1 . . . . . . . . 4700 2 202 . 2 2 19 19 ALA HB2 H 1 1.523 0.012 . 1 . . . . . . . . 4700 2 203 . 2 2 19 19 ALA HB3 H 1 1.523 0.012 . 1 . . . . . . . . 4700 2 204 . 2 2 20 20 VAL N N 15 117.67 0.05 . 1 . . . . . . . . 4700 2 205 . 2 2 20 20 VAL H H 1 8.265 0.015 . 1 . . . . . . . . 4700 2 206 . 2 2 20 20 VAL CA C 13 65.40 0.07 . 1 . . . . . . . . 4700 2 207 . 2 2 20 20 VAL HA H 1 3.743 0.013 . 1 . . . . . . . . 4700 2 208 . 2 2 20 20 VAL CB C 13 31.13 0.04 . 1 . . . . . . . . 4700 2 209 . 2 2 20 20 VAL HB H 1 2.323 0.011 . 1 . . . . . . . . 4700 2 210 . 2 2 20 20 VAL CG1 C 13 20.66 0.07 . 2 . . . . . . . . 4700 2 211 . 2 2 20 20 VAL HG11 H 1 0.926 0.014 . 2 . . . . . . . . 4700 2 212 . 2 2 20 20 VAL HG12 H 1 0.926 0.014 . 2 . . . . . . . . 4700 2 213 . 2 2 20 20 VAL HG13 H 1 0.926 0.014 . 2 . . . . . . . . 4700 2 214 . 2 2 20 20 VAL CG2 C 13 22.07 0.05 . 2 . . . . . . . . 4700 2 215 . 2 2 20 20 VAL HG21 H 1 1.034 0.010 . 2 . . . . . . . . 4700 2 216 . 2 2 20 20 VAL HG22 H 1 1.034 0.010 . 2 . . . . . . . . 4700 2 217 . 2 2 20 20 VAL HG23 H 1 1.034 0.010 . 2 . . . . . . . . 4700 2 218 . 2 2 21 21 THR N N 15 107.33 0.06 . 1 . . . . . . . . 4700 2 219 . 2 2 21 21 THR H H 1 7.363 0.016 . 1 . . . . . . . . 4700 2 220 . 2 2 21 21 THR CA C 13 61.64 0.03 . 1 . . . . . . . . 4700 2 221 . 2 2 21 21 THR HA H 1 4.291 0.023 . 1 . . . . . . . . 4700 2 222 . 2 2 21 21 THR CB C 13 69.90 0.02 . 1 . . . . . . . . 4700 2 223 . 2 2 21 21 THR HB H 1 4.251 0.027 . 1 . . . . . . . . 4700 2 224 . 2 2 21 21 THR CG2 C 13 21.51 0.07 . 1 . . . . . . . . 4700 2 225 . 2 2 21 21 THR HG21 H 1 1.177 0.011 . 1 . . . . . . . . 4700 2 226 . 2 2 21 21 THR HG22 H 1 1.177 0.011 . 1 . . . . . . . . 4700 2 227 . 2 2 21 21 THR HG23 H 1 1.177 0.011 . 1 . . . . . . . . 4700 2 228 . 2 2 22 22 GLY N N 15 111.68 0.05 . 1 . . . . . . . . 4700 2 229 . 2 2 22 22 GLY H H 1 8.407 0.013 . 1 . . . . . . . . 4700 2 230 . 2 2 22 22 GLY CA C 13 45.95 0.09 . 1 . . . . . . . . 4700 2 231 . 2 2 22 22 GLY HA3 H 1 3.545 0.012 . 2 . . . . . . . . 4700 2 232 . 2 2 22 22 GLY HA2 H 1 4.022 0.013 . 2 . . . . . . . . 4700 2 233 . 2 2 23 23 GLU N N 15 117.37 0.02 . 1 . . . . . . . . 4700 2 234 . 2 2 23 23 GLU H H 1 7.126 0.011 . 1 . . . . . . . . 4700 2 235 . 2 2 23 23 GLU CA C 13 54.49 0.04 . 1 . . . . . . . . 4700 2 236 . 2 2 23 23 GLU HA H 1 4.498 0.015 . 1 . . . . . . . . 4700 2 237 . 2 2 23 23 GLU CB C 13 32.10 0.03 . 1 . . . . . . . . 4700 2 238 . 2 2 23 23 GLU HB3 H 1 1.705 0.015 . 2 . . . . . . . . 4700 2 239 . 2 2 23 23 GLU HB2 H 1 2.055 0.015 . 2 . . . . . . . . 4700 2 240 . 2 2 23 23 GLU CG C 13 35.52 0.04 . 1 . . . . . . . . 4700 2 241 . 2 2 23 23 GLU HG3 H 1 2.138 0.015 . 2 . . . . . . . . 4700 2 242 . 2 2 23 23 GLU HG2 H 1 2.228 0.018 . 2 . . . . . . . . 4700 2 243 . 2 2 24 24 PHE N N 15 118.85 0.04 . 1 . . . . . . . . 4700 2 244 . 2 2 24 24 PHE H H 1 8.790 0.012 . 1 . . . . . . . . 4700 2 245 . 2 2 24 24 PHE CA C 13 57.80 0.03 . 1 . . . . . . . . 4700 2 246 . 2 2 24 24 PHE HA H 1 5.477 0.009 . 1 . . . . . . . . 4700 2 247 . 2 2 24 24 PHE CB C 13 40.92 0.05 . 1 . . . . . . . . 4700 2 248 . 2 2 24 24 PHE HB3 H 1 3.012 0.011 . 2 . . . . . . . . 4700 2 249 . 2 2 24 24 PHE HB2 H 1 3.145 0.019 . 2 . . . . . . . . 4700 2 250 . 2 2 24 24 PHE CZ C 13 129.30 0.04 . 1 . . . . . . . . 4700 2 251 . 2 2 24 24 PHE HZ H 1 7.320 0.014 . 1 . . . . . . . . 4700 2 252 . 2 2 24 24 PHE CD1 C 13 131.99 0.01 . 1 . . . . . . . . 4700 2 253 . 2 2 24 24 PHE CD2 C 13 131.99 0.01 . 1 . . . . . . . . 4700 2 254 . 2 2 24 24 PHE HD1 H 1 7.502 0.012 . 1 . . . . . . . . 4700 2 255 . 2 2 24 24 PHE HD2 H 1 7.502 0.012 . 1 . . . . . . . . 4700 2 256 . 2 2 24 24 PHE CE1 C 13 131.13 0.10 . 1 . . . . . . . . 4700 2 257 . 2 2 24 24 PHE CE2 C 13 131.13 0.10 . 1 . . . . . . . . 4700 2 258 . 2 2 24 24 PHE HE1 H 1 7.302 0.011 . 1 . . . . . . . . 4700 2 259 . 2 2 24 24 PHE HE2 H 1 7.302 0.011 . 1 . . . . . . . . 4700 2 260 . 2 2 25 25 THR N N 15 114.56 0.06 . 1 . . . . . . . . 4700 2 261 . 2 2 25 25 THR H H 1 8.977 0.015 . 1 . . . . . . . . 4700 2 262 . 2 2 25 25 THR CA C 13 59.73 0.04 . 1 . . . . . . . . 4700 2 263 . 2 2 25 25 THR HA H 1 4.690 0.008 . 1 . . . . . . . . 4700 2 264 . 2 2 25 25 THR CB C 13 70.21 0.03 . 1 . . . . . . . . 4700 2 265 . 2 2 25 25 THR HB H 1 4.241 0.009 . 1 . . . . . . . . 4700 2 266 . 2 2 25 25 THR CG2 C 13 21.05 0.05 . 1 . . . . . . . . 4700 2 267 . 2 2 25 25 THR HG21 H 1 1.135 0.013 . 1 . . . . . . . . 4700 2 268 . 2 2 25 25 THR HG22 H 1 1.135 0.013 . 1 . . . . . . . . 4700 2 269 . 2 2 25 25 THR HG23 H 1 1.135 0.013 . 1 . . . . . . . . 4700 2 270 . 2 2 26 26 GLY N N 15 109.88 0.05 . 1 . . . . . . . . 4700 2 271 . 2 2 26 26 GLY H H 1 8.786 0.010 . 1 . . . . . . . . 4700 2 272 . 2 2 26 26 GLY CA C 13 45.71 0.06 . 1 . . . . . . . . 4700 2 273 . 2 2 26 26 GLY HA3 H 1 3.755 0.013 . 2 . . . . . . . . 4700 2 274 . 2 2 26 26 GLY HA2 H 1 4.451 0.013 . 2 . . . . . . . . 4700 2 275 . 2 2 27 27 MET N N 15 118.09 0.04 . 1 . . . . . . . . 4700 2 276 . 2 2 27 27 MET H H 1 8.133 0.011 . 1 . . . . . . . . 4700 2 277 . 2 2 27 27 MET CA C 13 53.39 0.08 . 1 . . . . . . . . 4700 2 278 . 2 2 27 27 MET HA H 1 4.307 0.018 . 1 . . . . . . . . 4700 2 279 . 2 2 27 27 MET CB C 13 33.08 0.04 . 1 . . . . . . . . 4700 2 280 . 2 2 27 27 MET HB3 H 1 1.946 0.020 . 2 . . . . . . . . 4700 2 281 . 2 2 27 27 MET HB2 H 1 2.038 0.019 . 2 . . . . . . . . 4700 2 282 . 2 2 27 27 MET CG C 13 31.87 0.06 . 1 . . . . . . . . 4700 2 283 . 2 2 27 27 MET HG3 H 1 2.469 0.012 . 2 . . . . . . . . 4700 2 284 . 2 2 27 27 MET HG2 H 1 2.593 0.017 . 2 . . . . . . . . 4700 2 285 . 2 2 27 27 MET CE C 13 17.20 0.05 . 1 . . . . . . . . 4700 2 286 . 2 2 27 27 MET HE1 H 1 1.656 0.015 . 1 . . . . . . . . 4700 2 287 . 2 2 27 27 MET HE2 H 1 1.656 0.015 . 1 . . . . . . . . 4700 2 288 . 2 2 27 27 MET HE3 H 1 1.656 0.015 . 1 . . . . . . . . 4700 2 289 . 2 2 28 28 PRO CA C 13 62.76 0.08 . 1 . . . . . . . . 4700 2 290 . 2 2 28 28 PRO HA H 1 4.251 0.011 . 1 . . . . . . . . 4700 2 291 . 2 2 28 28 PRO CB C 13 31.84 0.02 . 1 . . . . . . . . 4700 2 292 . 2 2 28 28 PRO HB3 H 1 1.028 0.020 . 2 . . . . . . . . 4700 2 293 . 2 2 28 28 PRO HB2 H 1 2.037 0.022 . 2 . . . . . . . . 4700 2 294 . 2 2 28 28 PRO CG C 13 26.85 0.05 . 1 . . . . . . . . 4700 2 295 . 2 2 28 28 PRO HG3 H 1 0.464 0.027 . 2 . . . . . . . . 4700 2 296 . 2 2 28 28 PRO HG2 H 1 1.320 0.018 . 2 . . . . . . . . 4700 2 297 . 2 2 28 28 PRO CD C 13 50.29 0.07 . 1 . . . . . . . . 4700 2 298 . 2 2 28 28 PRO HD3 H 1 3.022 0.013 . 2 . . . . . . . . 4700 2 299 . 2 2 28 28 PRO HD2 H 1 3.607 0.017 . 2 . . . . . . . . 4700 2 300 . 2 2 29 29 GLU N N 15 127.11 0.04 . 1 . . . . . . . . 4700 2 301 . 2 2 29 29 GLU H H 1 9.063 0.016 . 1 . . . . . . . . 4700 2 302 . 2 2 29 29 GLU CA C 13 59.83 0.05 . 1 . . . . . . . . 4700 2 303 . 2 2 29 29 GLU HA H 1 4.022 0.009 . 1 . . . . . . . . 4700 2 304 . 2 2 29 29 GLU CB C 13 29.11 0.03 . 1 . . . . . . . . 4700 2 305 . 2 2 29 29 GLU HB3 H 1 2.032 0.010 . 2 . . . . . . . . 4700 2 306 . 2 2 29 29 GLU HB2 H 1 2.132 0.014 . 2 . . . . . . . . 4700 2 307 . 2 2 29 29 GLU CG C 13 35.68 0.05 . 1 . . . . . . . . 4700 2 308 . 2 2 29 29 GLU HG3 H 1 2.320 0.013 . 2 . . . . . . . . 4700 2 309 . 2 2 29 29 GLU HG2 H 1 2.385 0.008 . 2 . . . . . . . . 4700 2 310 . 2 2 30 30 GLN N N 15 115.80 0.06 . 1 . . . . . . . . 4700 2 311 . 2 2 30 30 GLN H H 1 9.128 0.019 . 1 . . . . . . . . 4700 2 312 . 2 2 30 30 GLN CA C 13 58.55 0.02 . 1 . . . . . . . . 4700 2 313 . 2 2 30 30 GLN HA H 1 4.122 0.014 . 1 . . . . . . . . 4700 2 314 . 2 2 30 30 GLN CB C 13 27.80 0.02 . 1 . . . . . . . . 4700 2 315 . 2 2 30 30 GLN CG C 13 33.54 0.03 . 1 . . . . . . . . 4700 2 316 . 2 2 30 30 GLN HG3 H 1 2.494 0.012 . 2 . . . . . . . . 4700 2 317 . 2 2 30 30 GLN HG2 H 1 2.568 0.012 . 2 . . . . . . . . 4700 2 318 . 2 2 30 30 GLN NE2 N 15 111.60 0.03 . 1 . . . . . . . . 4700 2 319 . 2 2 30 30 GLN HE21 H 1 6.991 0.005 . 2 . . . . . . . . 4700 2 320 . 2 2 30 30 GLN HE22 H 1 7.595 0.003 . 2 . . . . . . . . 4700 2 321 . 2 2 30 30 GLN HB2 H 1 2.138 0.017 . 1 . . . . . . . . 4700 2 322 . 2 2 30 30 GLN HB3 H 1 2.138 0.017 . 1 . . . . . . . . 4700 2 323 . 2 2 31 31 TRP N N 15 117.85 0.04 . 1 . . . . . . . . 4700 2 324 . 2 2 31 31 TRP H H 1 7.279 0.013 . 1 . . . . . . . . 4700 2 325 . 2 2 31 31 TRP CA C 13 58.09 0.03 . 1 . . . . . . . . 4700 2 326 . 2 2 31 31 TRP HA H 1 4.568 0.014 . 1 . . . . . . . . 4700 2 327 . 2 2 31 31 TRP CB C 13 29.41 0.01 . 1 . . . . . . . . 4700 2 328 . 2 2 31 31 TRP HB3 H 1 3.113 0.017 . 2 . . . . . . . . 4700 2 329 . 2 2 31 31 TRP HB2 H 1 3.260 0.024 . 2 . . . . . . . . 4700 2 330 . 2 2 31 31 TRP CD1 C 13 123.17 0.02 . 1 . . . . . . . . 4700 2 331 . 2 2 31 31 TRP HD1 H 1 6.907 0.005 . 1 . . . . . . . . 4700 2 332 . 2 2 31 31 TRP NE1 N 15 127.27 0.01 . 1 . . . . . . . . 4700 2 333 . 2 2 31 31 TRP HE1 H 1 9.778 0.003 . 1 . . . . . . . . 4700 2 334 . 2 2 31 31 TRP CE3 C 13 119.80 0.06 . 1 . . . . . . . . 4700 2 335 . 2 2 31 31 TRP HE3 H 1 7.268 0.017 . 1 . . . . . . . . 4700 2 336 . 2 2 31 31 TRP CZ2 C 13 113.31 0.06 . 1 . . . . . . . . 4700 2 337 . 2 2 31 31 TRP HZ2 H 1 6.901 0.008 . 1 . . . . . . . . 4700 2 338 . 2 2 31 31 TRP CZ3 C 13 119.70 0.08 . 1 . . . . . . . . 4700 2 339 . 2 2 31 31 TRP HZ3 H 1 6.042 0.010 . 1 . . . . . . . . 4700 2 340 . 2 2 31 31 TRP CH2 C 13 123.41 0.04 . 1 . . . . . . . . 4700 2 341 . 2 2 31 31 TRP HH2 H 1 5.415 0.017 . 1 . . . . . . . . 4700 2 342 . 2 2 32 32 ALA N N 15 121.03 0.04 . 1 . . . . . . . . 4700 2 343 . 2 2 32 32 ALA H H 1 8.128 0.013 . 1 . . . . . . . . 4700 2 344 . 2 2 32 32 ALA CA C 13 55.25 0.05 . 1 . . . . . . . . 4700 2 345 . 2 2 32 32 ALA HA H 1 4.044 0.015 . 1 . . . . . . . . 4700 2 346 . 2 2 32 32 ALA CB C 13 17.73 0.05 . 1 . . . . . . . . 4700 2 347 . 2 2 32 32 ALA HB1 H 1 1.503 0.020 . 1 . . . . . . . . 4700 2 348 . 2 2 32 32 ALA HB2 H 1 1.503 0.020 . 1 . . . . . . . . 4700 2 349 . 2 2 32 32 ALA HB3 H 1 1.503 0.020 . 1 . . . . . . . . 4700 2 350 . 2 2 33 33 ARG N N 15 115.10 0.02 . 1 . . . . . . . . 4700 2 351 . 2 2 33 33 ARG H H 1 7.893 0.012 . 1 . . . . . . . . 4700 2 352 . 2 2 33 33 ARG CA C 13 58.42 0.08 . 1 . . . . . . . . 4700 2 353 . 2 2 33 33 ARG HA H 1 4.188 0.011 . 1 . . . . . . . . 4700 2 354 . 2 2 33 33 ARG CB C 13 29.90 0.06 . 1 . . . . . . . . 4700 2 355 . 2 2 33 33 ARG CG C 13 27.19 0.06 . 1 . . . . . . . . 4700 2 356 . 2 2 33 33 ARG HG3 H 1 1.731 0.009 . 2 . . . . . . . . 4700 2 357 . 2 2 33 33 ARG HG2 H 1 1.815 0.010 . 2 . . . . . . . . 4700 2 358 . 2 2 33 33 ARG CD C 13 43.14 0.05 . 1 . . . . . . . . 4700 2 359 . 2 2 33 33 ARG NE N 15 84.04 0.02 . 1 . . . . . . . . 4700 2 360 . 2 2 33 33 ARG HE H 1 7.457 0.017 . 1 . . . . . . . . 4700 2 361 . 2 2 33 33 ARG HB2 H 1 1.950 0.015 . 1 . . . . . . . . 4700 2 362 . 2 2 33 33 ARG HB3 H 1 1.950 0.015 . 1 . . . . . . . . 4700 2 363 . 2 2 33 33 ARG HD2 H 1 3.270 0.015 . 1 . . . . . . . . 4700 2 364 . 2 2 33 33 ARG HD3 H 1 3.270 0.015 . 1 . . . . . . . . 4700 2 365 . 2 2 34 34 LEU N N 15 119.60 0.04 . 1 . . . . . . . . 4700 2 366 . 2 2 34 34 LEU H H 1 7.616 0.012 . 1 . . . . . . . . 4700 2 367 . 2 2 34 34 LEU CA C 13 56.89 0.06 . 1 . . . . . . . . 4700 2 368 . 2 2 34 34 LEU HA H 1 4.225 0.018 . 1 . . . . . . . . 4700 2 369 . 2 2 34 34 LEU CB C 13 41.98 0.06 . 1 . . . . . . . . 4700 2 370 . 2 2 34 34 LEU HB3 H 1 1.540 0.017 . 2 . . . . . . . . 4700 2 371 . 2 2 34 34 LEU HB2 H 1 1.912 0.018 . 2 . . . . . . . . 4700 2 372 . 2 2 34 34 LEU CG C 13 26.79 0.15 . 1 . . . . . . . . 4700 2 373 . 2 2 34 34 LEU HG H 1 1.884 0.004 . 1 . . . . . . . . 4700 2 374 . 2 2 34 34 LEU CD1 C 13 22.64 0.06 . 2 . . . . . . . . 4700 2 375 . 2 2 34 34 LEU HD11 H 1 0.904 0.011 . 2 . . . . . . . . 4700 2 376 . 2 2 34 34 LEU HD12 H 1 0.904 0.011 . 2 . . . . . . . . 4700 2 377 . 2 2 34 34 LEU HD13 H 1 0.904 0.011 . 2 . . . . . . . . 4700 2 378 . 2 2 34 34 LEU CD2 C 13 25.41 0.04 . 2 . . . . . . . . 4700 2 379 . 2 2 34 34 LEU HD21 H 1 0.910 0.000 . 2 . . . . . . . . 4700 2 380 . 2 2 34 34 LEU HD22 H 1 0.910 0.000 . 2 . . . . . . . . 4700 2 381 . 2 2 34 34 LEU HD23 H 1 0.910 0.000 . 2 . . . . . . . . 4700 2 382 . 2 2 35 35 LEU N N 15 118.50 0.01 . 1 . . . . . . . . 4700 2 383 . 2 2 35 35 LEU H H 1 7.996 0.014 . 1 . . . . . . . . 4700 2 384 . 2 2 35 35 LEU CA C 13 55.95 0.04 . 1 . . . . . . . . 4700 2 385 . 2 2 35 35 LEU HA H 1 4.232 0.013 . 1 . . . . . . . . 4700 2 386 . 2 2 35 35 LEU CB C 13 42.08 0.05 . 1 . . . . . . . . 4700 2 387 . 2 2 35 35 LEU HB3 H 1 1.659 0.011 . 2 . . . . . . . . 4700 2 388 . 2 2 35 35 LEU HB2 H 1 1.781 0.012 . 2 . . . . . . . . 4700 2 389 . 2 2 35 35 LEU CG C 13 26.48 0.01 . 1 . . . . . . . . 4700 2 390 . 2 2 35 35 LEU HG H 1 1.737 0.007 . 1 . . . . . . . . 4700 2 391 . 2 2 35 35 LEU CD1 C 13 22.67 0.06 . 2 . . . . . . . . 4700 2 392 . 2 2 35 35 LEU HD11 H 1 0.744 0.010 . 2 . . . . . . . . 4700 2 393 . 2 2 35 35 LEU HD12 H 1 0.744 0.010 . 2 . . . . . . . . 4700 2 394 . 2 2 35 35 LEU HD13 H 1 0.744 0.010 . 2 . . . . . . . . 4700 2 395 . 2 2 35 35 LEU CD2 C 13 25.28 0.04 . 2 . . . . . . . . 4700 2 396 . 2 2 35 35 LEU HD21 H 1 0.767 0.014 . 2 . . . . . . . . 4700 2 397 . 2 2 35 35 LEU HD22 H 1 0.767 0.014 . 2 . . . . . . . . 4700 2 398 . 2 2 35 35 LEU HD23 H 1 0.767 0.014 . 2 . . . . . . . . 4700 2 399 . 2 2 36 36 GLN N N 15 117.83 0.03 . 1 . . . . . . . . 4700 2 400 . 2 2 36 36 GLN H H 1 7.759 0.012 . 1 . . . . . . . . 4700 2 401 . 2 2 36 36 GLN CA C 13 56.73 0.04 . 1 . . . . . . . . 4700 2 402 . 2 2 36 36 GLN HA H 1 4.382 0.008 . 1 . . . . . . . . 4700 2 403 . 2 2 36 36 GLN CB C 13 28.60 0.04 . 1 . . . . . . . . 4700 2 404 . 2 2 36 36 GLN CG C 13 33.67 0.02 . 1 . . . . . . . . 4700 2 405 . 2 2 36 36 GLN HG3 H 1 2.514 0.012 . 2 . . . . . . . . 4700 2 406 . 2 2 36 36 GLN HG2 H 1 2.577 0.015 . 2 . . . . . . . . 4700 2 407 . 2 2 36 36 GLN NE2 N 15 111.39 0.04 . 1 . . . . . . . . 4700 2 408 . 2 2 36 36 GLN HE21 H 1 6.942 0.003 . 2 . . . . . . . . 4700 2 409 . 2 2 36 36 GLN HE22 H 1 7.574 0.011 . 2 . . . . . . . . 4700 2 410 . 2 2 36 36 GLN HB2 H 1 2.252 0.016 . 1 . . . . . . . . 4700 2 411 . 2 2 36 36 GLN HB3 H 1 2.252 0.016 . 1 . . . . . . . . 4700 2 412 . 2 2 37 37 THR N N 15 112.80 0.04 . 1 . . . . . . . . 4700 2 413 . 2 2 37 37 THR H H 1 8.074 0.014 . 1 . . . . . . . . 4700 2 414 . 2 2 37 37 THR CA C 13 62.39 0.10 . 1 . . . . . . . . 4700 2 415 . 2 2 37 37 THR HA H 1 4.418 0.028 . 1 . . . . . . . . 4700 2 416 . 2 2 37 37 THR CB C 13 69.50 0.14 . 1 . . . . . . . . 4700 2 417 . 2 2 37 37 THR HB H 1 4.400 0.006 . 1 . . . . . . . . 4700 2 418 . 2 2 37 37 THR CG2 C 13 21.41 0.05 . 1 . . . . . . . . 4700 2 419 . 2 2 37 37 THR HG21 H 1 1.306 0.018 . 1 . . . . . . . . 4700 2 420 . 2 2 37 37 THR HG22 H 1 1.306 0.018 . 1 . . . . . . . . 4700 2 421 . 2 2 37 37 THR HG23 H 1 1.306 0.018 . 1 . . . . . . . . 4700 2 422 . 2 2 38 38 SER N N 15 116.96 0.05 . 1 . . . . . . . . 4700 2 423 . 2 2 38 38 SER H H 1 8.226 0.014 . 1 . . . . . . . . 4700 2 424 . 2 2 38 38 SER CA C 13 58.46 0.02 . 1 . . . . . . . . 4700 2 425 . 2 2 38 38 SER HA H 1 4.548 0.012 . 1 . . . . . . . . 4700 2 426 . 2 2 38 38 SER CB C 13 63.55 0.04 . 1 . . . . . . . . 4700 2 427 . 2 2 38 38 SER HB3 H 1 3.945 0.016 . 2 . . . . . . . . 4700 2 428 . 2 2 38 38 SER HB2 H 1 3.971 0.015 . 2 . . . . . . . . 4700 2 429 . 2 2 39 39 ASN N N 15 120.37 0.02 . 1 . . . . . . . . 4700 2 430 . 2 2 39 39 ASN H H 1 8.449 0.014 . 1 . . . . . . . . 4700 2 431 . 2 2 39 39 ASN CA C 13 53.26 0.07 . 1 . . . . . . . . 4700 2 432 . 2 2 39 39 ASN HA H 1 4.798 0.012 . 1 . . . . . . . . 4700 2 433 . 2 2 39 39 ASN CB C 13 38.60 0.07 . 1 . . . . . . . . 4700 2 434 . 2 2 39 39 ASN HB3 H 1 2.831 0.007 . 2 . . . . . . . . 4700 2 435 . 2 2 39 39 ASN HB2 H 1 2.912 0.009 . 2 . . . . . . . . 4700 2 436 . 2 2 39 39 ASN ND2 N 15 112.18 0.02 . 1 . . . . . . . . 4700 2 437 . 2 2 39 39 ASN HD21 H 1 6.968 0.012 . 2 . . . . . . . . 4700 2 438 . 2 2 39 39 ASN HD22 H 1 7.647 0.015 . 2 . . . . . . . . 4700 2 439 . 2 2 40 40 ILE N N 15 120.33 0.01 . 1 . . . . . . . . 4700 2 440 . 2 2 40 40 ILE H H 1 8.127 0.013 . 1 . . . . . . . . 4700 2 441 . 2 2 40 40 ILE CA C 13 61.28 0.06 . 1 . . . . . . . . 4700 2 442 . 2 2 40 40 ILE HA H 1 4.269 0.008 . 1 . . . . . . . . 4700 2 443 . 2 2 40 40 ILE CB C 13 38.46 0.03 . 1 . . . . . . . . 4700 2 444 . 2 2 40 40 ILE HB H 1 1.942 0.014 . 1 . . . . . . . . 4700 2 445 . 2 2 40 40 ILE CG1 C 13 27.05 0.03 . 1 . . . . . . . . 4700 2 446 . 2 2 40 40 ILE HG13 H 1 1.236 0.015 . 2 . . . . . . . . 4700 2 447 . 2 2 40 40 ILE HG12 H 1 1.511 0.016 . 2 . . . . . . . . 4700 2 448 . 2 2 40 40 ILE CG2 C 13 17.34 0.05 . 1 . . . . . . . . 4700 2 449 . 2 2 40 40 ILE HG21 H 1 0.956 0.012 . 1 . . . . . . . . 4700 2 450 . 2 2 40 40 ILE HG22 H 1 0.956 0.012 . 1 . . . . . . . . 4700 2 451 . 2 2 40 40 ILE HG23 H 1 0.956 0.012 . 1 . . . . . . . . 4700 2 452 . 2 2 40 40 ILE CD1 C 13 12.84 0.04 . 1 . . . . . . . . 4700 2 453 . 2 2 40 40 ILE HD11 H 1 0.902 0.014 . 1 . . . . . . . . 4700 2 454 . 2 2 40 40 ILE HD12 H 1 0.902 0.014 . 1 . . . . . . . . 4700 2 455 . 2 2 40 40 ILE HD13 H 1 0.902 0.014 . 1 . . . . . . . . 4700 2 456 . 2 2 41 41 THR N N 15 118.12 0.03 . 1 . . . . . . . . 4700 2 457 . 2 2 41 41 THR H H 1 8.274 0.012 . 1 . . . . . . . . 4700 2 458 . 2 2 41 41 THR CA C 13 61.85 0.03 . 1 . . . . . . . . 4700 2 459 . 2 2 41 41 THR HA H 1 4.380 0.011 . 1 . . . . . . . . 4700 2 460 . 2 2 41 41 THR CB C 13 69.71 0.15 . 1 . . . . . . . . 4700 2 461 . 2 2 41 41 THR HB H 1 4.241 0.008 . 1 . . . . . . . . 4700 2 462 . 2 2 41 41 THR CG2 C 13 21.46 0.03 . 1 . . . . . . . . 4700 2 463 . 2 2 41 41 THR HG21 H 1 1.255 0.010 . 1 . . . . . . . . 4700 2 464 . 2 2 41 41 THR HG22 H 1 1.255 0.010 . 1 . . . . . . . . 4700 2 465 . 2 2 41 41 THR HG23 H 1 1.255 0.010 . 1 . . . . . . . . 4700 2 466 . 2 2 42 42 LYS N N 15 123.86 0.06 . 1 . . . . . . . . 4700 2 467 . 2 2 42 42 LYS H H 1 8.404 0.013 . 1 . . . . . . . . 4700 2 468 . 2 2 42 42 LYS CA C 13 56.21 0.03 . 1 . . . . . . . . 4700 2 469 . 2 2 42 42 LYS HA H 1 4.407 0.017 . 1 . . . . . . . . 4700 2 470 . 2 2 42 42 LYS CB C 13 32.84 0.05 . 1 . . . . . . . . 4700 2 471 . 2 2 42 42 LYS HB3 H 1 1.820 0.010 . 2 . . . . . . . . 4700 2 472 . 2 2 42 42 LYS HB2 H 1 1.909 0.014 . 2 . . . . . . . . 4700 2 473 . 2 2 42 42 LYS CG C 13 24.47 0.02 . 1 . . . . . . . . 4700 2 474 . 2 2 42 42 LYS HG3 H 1 1.454 0.015 . 2 . . . . . . . . 4700 2 475 . 2 2 42 42 LYS HG2 H 1 1.490 0.019 . 2 . . . . . . . . 4700 2 476 . 2 2 42 42 LYS CD C 13 28.84 0.02 . 1 . . . . . . . . 4700 2 477 . 2 2 42 42 LYS CE C 13 41.93 0.05 . 1 . . . . . . . . 4700 2 478 . 2 2 42 42 LYS HD2 H 1 1.729 0.018 . 1 . . . . . . . . 4700 2 479 . 2 2 42 42 LYS HD3 H 1 1.729 0.018 . 1 . . . . . . . . 4700 2 480 . 2 2 42 42 LYS HE2 H 1 3.048 0.018 . 1 . . . . . . . . 4700 2 481 . 2 2 42 42 LYS HE3 H 1 3.048 0.018 . 1 . . . . . . . . 4700 2 482 . 2 2 43 43 SER N N 15 117.03 0.01 . 1 . . . . . . . . 4700 2 483 . 2 2 43 43 SER H H 1 8.417 0.016 . 1 . . . . . . . . 4700 2 484 . 2 2 43 43 SER CA C 13 58.25 0.07 . 1 . . . . . . . . 4700 2 485 . 2 2 43 43 SER HA H 1 4.514 0.025 . 1 . . . . . . . . 4700 2 486 . 2 2 43 43 SER CB C 13 63.71 0.02 . 1 . . . . . . . . 4700 2 487 . 2 2 43 43 SER HB2 H 1 3.901 0.012 . 1 . . . . . . . . 4700 2 488 . 2 2 43 43 SER HB3 H 1 3.901 0.012 . 1 . . . . . . . . 4700 2 489 . 2 2 44 44 GLU N N 15 122.49 0.08 . 1 . . . . . . . . 4700 2 490 . 2 2 44 44 GLU H H 1 8.523 0.014 . 1 . . . . . . . . 4700 2 491 . 2 2 44 44 GLU CA C 13 56.26 0.04 . 1 . . . . . . . . 4700 2 492 . 2 2 44 44 GLU HA H 1 4.359 0.012 . 1 . . . . . . . . 4700 2 493 . 2 2 44 44 GLU CB C 13 30.17 0.04 . 1 . . . . . . . . 4700 2 494 . 2 2 44 44 GLU HB3 H 1 1.976 0.007 . 2 . . . . . . . . 4700 2 495 . 2 2 44 44 GLU HB2 H 1 2.119 0.007 . 2 . . . . . . . . 4700 2 496 . 2 2 44 44 GLU CG C 13 35.99 0.10 . 1 . . . . . . . . 4700 2 497 . 2 2 44 44 GLU HG2 H 1 2.310 0.012 . 1 . . . . . . . . 4700 2 498 . 2 2 44 44 GLU HG3 H 1 2.310 0.012 . 1 . . . . . . . . 4700 2 499 . 2 2 45 45 GLN N N 15 121.82 0.02 . 1 . . . . . . . . 4700 2 500 . 2 2 45 45 GLN H H 1 8.402 0.013 . 1 . . . . . . . . 4700 2 501 . 2 2 45 45 GLN CA C 13 55.68 0.06 . 1 . . . . . . . . 4700 2 502 . 2 2 45 45 GLN HA H 1 4.366 0.012 . 1 . . . . . . . . 4700 2 503 . 2 2 45 45 GLN CB C 13 29.28 0.06 . 1 . . . . . . . . 4700 2 504 . 2 2 45 45 GLN HB3 H 1 2.033 0.015 . 2 . . . . . . . . 4700 2 505 . 2 2 45 45 GLN HB2 H 1 2.157 0.007 . 2 . . . . . . . . 4700 2 506 . 2 2 45 45 GLN CG C 13 33.66 0.08 . 1 . . . . . . . . 4700 2 507 . 2 2 45 45 GLN NE2 N 15 112.58 0.01 . 1 . . . . . . . . 4700 2 508 . 2 2 45 45 GLN HE21 H 1 6.912 0.001 . 2 . . . . . . . . 4700 2 509 . 2 2 45 45 GLN HE22 H 1 7.678 0.001 . 2 . . . . . . . . 4700 2 510 . 2 2 45 45 GLN HG2 H 1 2.387 0.019 . 1 . . . . . . . . 4700 2 511 . 2 2 45 45 GLN HG3 H 1 2.387 0.019 . 1 . . . . . . . . 4700 2 512 . 2 2 46 46 LYS N N 15 128.51 0.02 . 1 . . . . . . . . 4700 2 513 . 2 2 46 46 LYS H H 1 8.092 0.021 . 1 . . . . . . . . 4700 2 514 . 2 2 46 46 LYS CA C 13 57.30 0.08 . 1 . . . . . . . . 4700 2 515 . 2 2 46 46 LYS HA H 1 4.213 0.018 . 1 . . . . . . . . 4700 2 516 . 2 2 46 46 LYS CB C 13 33.50 0.06 . 1 . . . . . . . . 4700 2 517 . 2 2 46 46 LYS HB3 H 1 1.743 0.011 . 2 . . . . . . . . 4700 2 518 . 2 2 46 46 LYS HB2 H 1 1.867 0.009 . 2 . . . . . . . . 4700 2 519 . 2 2 46 46 LYS CG C 13 24.52 0.02 . 1 . . . . . . . . 4700 2 520 . 2 2 46 46 LYS CD C 13 28.83 0.00 . 1 . . . . . . . . 4700 2 521 . 2 2 46 46 LYS CE C 13 41.94 0.01 . 1 . . . . . . . . 4700 2 522 . 2 2 46 46 LYS HG2 H 1 1.427 0.004 . 1 . . . . . . . . 4700 2 523 . 2 2 46 46 LYS HG3 H 1 1.427 0.004 . 1 . . . . . . . . 4700 2 524 . 2 2 46 46 LYS HD2 H 1 1.706 0.008 . 1 . . . . . . . . 4700 2 525 . 2 2 46 46 LYS HD3 H 1 1.706 0.008 . 1 . . . . . . . . 4700 2 526 . 2 2 46 46 LYS HE2 H 1 3.031 0.013 . 1 . . . . . . . . 4700 2 527 . 2 2 46 46 LYS HE3 H 1 3.031 0.013 . 1 . . . . . . . . 4700 2 stop_ save_