data_4049 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4049 _Entry.Title ; Solution Structure of the Amino-Terminal Fragment of Urokinase-Type Plasminogen Activator ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-02-26 _Entry.Accession_date 1997-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Andrew Hansen . P. . 4049 2 Andrew Petros . M. . 4049 3 Robert Meadows . P. . 4049 4 David Nettesheim . G. . 4049 5 Andrew Mazar . P. . 4049 6 Edward Olejniczak . T. . 4049 7 Robert Xu . X. . 4049 8 Terry Pederson . M. . 4049 9 Jack Henkin . . . 4049 10 Stephen Fesik . W. . 4049 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4049 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 4049 '15N chemical shifts' 122 4049 '1H chemical shifts' 822 4049 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 . . 1999-08-17 . reformat BMRB 'format updated to NMR-STAR version 2.1' 4049 1 . . 1999-08-24 . update BMRB 'chemical shift for GLY 55 H corrected' 4049 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4049 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 94213863 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hansen, A. P., Petros, A. M., Meadows, R. P., Nettesheim D. G., Mazar, A. P., Olejniczak, E. T., Xu, R. X., Pederson, T. M., Henkin, J., and Fesik, S. W., "Solution Structure of the Amino-Terminal Fragment of Urokinase-Type Plasminogen Activator," Biochemistry 33, 4847-4864 (1994). ; _Citation.Title ; Solution Structure of the Amino-Terminal Fragment of Urokinase-Type Plasminogen Activator ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 33 _Citation.Journal_issue 16 _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 4847 _Citation.Page_last 4864 _Citation.Year 1994 _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 Andrew Hansen . P. . 4049 1 2 Andrew Petros . M. . 4049 1 3 Robert Meadows . P. . 4049 1 4 David Nettesheim . G. . 4049 1 5 Andrew Mazar . P. . 4049 1 6 Edward Olejniczak . T. . 4049 1 7 Robert Xu . X. . 4049 1 8 Terry Pederson . M. . 4049 1 9 Jack Henkin . . . 4049 1 10 Stephen Fesik . W. . 4049 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'amino terminal fragment' 4049 1 ATF 4049 1 'chinese hamster ovary' 4049 1 CHO 4049 1 EGF 4049 1 'epidermal growth factor' 4049 1 GFD 4049 1 'growth factor domain' 4049 1 NMR 4049 1 'nuclear magnetic resonance' 4049 1 'tissue-type plasminogen activator' 4049 1 t-PA 4049 1 u-PA 4049 1 'urokinase-type plasminogen activator' 4049 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ATF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ATF _Assembly.Entry_ID 4049 _Assembly.ID 1 _Assembly.Name 'Urokinase-type plasminogen activator' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4049 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 ATF 1 $ATF . . . native . . . . . 4049 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1urk . . . . . . 4049 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ATF abbreviation 4049 1 'Urokinase-type plasminogen activator' system 4049 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATF _Entity.Sf_category entity _Entity.Sf_framecode ATF _Entity.Entry_ID 4049 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'u-PA amino-terminal fragment' _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 ; QVPSNCDCLNGGTCVSNKYF SNIHWCNCPKKFGGQHCEID KSKTCYEGNGHFYRGKASTD TMGRPCLPWNSATVLQQTYH AHRSDALQLGLGKHNYCRNP DNRRRPWCYVQVGLKPLVQE CMVHDCADGK ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KDU . "Sequential 1h Nmr Assignments And Secondary Structure Of The Kringle Domain From Urokinase" . . . . . 65.38 85 100.00 100.00 4.43e-56 . . . . 4049 1 2 no PDB 1URK . "Solution Structure Of The Amino Terminal Fragment Of Urokinase-Type Plasminogen Activator" . . . . . 100.00 130 100.00 100.00 1.00e-91 . . . . 4049 1 3 no PDB 2FD6 . "Structure Of Human Urokinase Plasminogen Activator In Complex With Urokinase Receptor And An Anti-Upar Antibody At 1.9 A" . . . . . 93.85 122 100.00 100.00 1.32e-85 . . . . 4049 1 4 no PDB 2I9A . "Crystal Structure Of The Free Aminoterminal Fragment Of Urokinase Type Plasminogen Activator (Atf)" . . . . . 100.00 145 100.00 100.00 4.44e-92 . . . . 4049 1 5 no PDB 2I9B . "Crystal Structure Of Atf-urokinase Receptor Complex" . . . . . 100.00 145 100.00 100.00 4.44e-92 . . . . 4049 1 6 no PDB 3BT1 . "Structure Of Urokinase Receptor, Urokinase And Vitronectin Complex" . . . . . 98.46 135 100.00 100.00 1.35e-90 . . . . 4049 1 7 no PDB 3BT2 . "Structure Of Urokinase Receptor, Urokinase And Vitronectin Complex" . . . . . 98.46 135 100.00 100.00 1.35e-90 . . . . 4049 1 8 no PDB 3U73 . "Crystal Structure Of Stabilized Human Upar Mutant In Complex With Atf" . . . . . 97.69 132 100.00 100.00 1.27e-89 . . . . 4049 1 9 no PDB 4K24 . "Structure Of Anti-upar Fab Atn-658 In Complex With Upar" . . . . . 98.46 135 100.00 100.00 1.35e-90 . . . . 4049 1 10 no DBJ BAA00175 . "pro-urokinase precursor [Homo sapiens]" . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 11 no DBJ BAA01919 . "urokinase-type plasminogen activater [Homo sapiens]" . . . . . 100.00 411 99.23 99.23 8.38e-89 . . . . 4049 1 12 no DBJ BAG35799 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 431 99.23 99.23 5.12e-89 . . . . 4049 1 13 no DBJ BAG60256 . "unnamed protein product [Homo sapiens]" . . . . . 53.08 345 100.00 100.00 2.89e-41 . . . . 4049 1 14 no DBJ BAG60754 . "unnamed protein product [Homo sapiens]" . . . . . 97.69 414 98.43 99.21 3.56e-86 . . . . 4049 1 15 no EMBL CAA26268 . "urokinase-plasminogen activator [Homo sapiens]" . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 16 no EMBL CAA26535 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 431 99.23 99.23 1.21e-88 . . . . 4049 1 17 no EMBL CAA38215 . "plasminogen activator [synthetic construct]" . . . . . 100.00 430 100.00 100.00 3.20e-90 . . . . 4049 1 18 no EMBL CAH89628 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 431 98.46 98.46 1.49e-87 . . . . 4049 1 19 no GB AAA61252 . "urokinase, partial [Homo sapiens]" . . . . . 69.23 366 100.00 100.00 2.09e-57 . . . . 4049 1 20 no GB AAA61253 . "pro-urokinase [Homo sapiens]" . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 21 no GB AAA73054 . "urokinase-type plasminogen activator [synthetic construct]" . . . . . 100.00 424 99.23 99.23 1.56e-89 . . . . 4049 1 22 no GB AAC97138 . "preprourokinase [Homo sapiens]" . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 23 no GB AAH13575 . "Plasminogen activator, urokinase [Homo sapiens]" . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 24 no PRF 1110198A . urokinase,prepro . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 25 no PRF 1111206A . urokinase,pro . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 26 no PRF 1111261A . urokinase,pro . . . . . 100.00 411 100.00 100.00 4.06e-90 . . . . 4049 1 27 no PRF 1404232A . urokinase,pro . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 28 no REF NP_001124729 . "urokinase-type plasminogen activator precursor [Pongo abelii]" . . . . . 100.00 431 98.46 98.46 1.49e-87 . . . . 4049 1 29 no REF NP_001138503 . "urokinase-type plasminogen activator isoform 2 [Homo sapiens]" . . . . . 97.69 414 99.21 100.00 2.90e-87 . . . . 4049 1 30 no REF NP_002649 . "urokinase-type plasminogen activator isoform 1 preproprotein [Homo sapiens]" . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 31 no REF XP_003271314 . "PREDICTED: urokinase-type plasminogen activator isoform X1 [Nomascus leucogenys]" . . . . . 97.69 414 97.64 98.43 1.33e-85 . . . . 4049 1 32 no REF XP_003312680 . "PREDICTED: urokinase-type plasminogen activator isoform X1 [Pan troglodytes]" . . . . . 100.00 431 99.23 99.23 3.51e-89 . . . . 4049 1 33 no SP P00749 . "RecName: Full=Urokinase-type plasminogen activator; Short=U-plasminogen activator; Short=uPA; Contains: RecName: Full=Urokinase" . . . . . 100.00 431 100.00 100.00 3.91e-90 . . . . 4049 1 34 no SP Q5RF29 . "RecName: Full=Urokinase-type plasminogen activator; Short=U-plasminogen activator; Short=uPA; Contains: RecName: Full=Urokinase" . . . . . 100.00 431 98.46 98.46 1.49e-87 . . . . 4049 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ATF abbreviation 4049 1 'u-PA amino-terminal fragment' common 4049 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 6 GLN . 4049 1 2 7 VAL . 4049 1 3 8 PRO . 4049 1 4 9 SER . 4049 1 5 10 ASN . 4049 1 6 11 CYS . 4049 1 7 12 ASP . 4049 1 8 13 CYS . 4049 1 9 14 LEU . 4049 1 10 15 ASN . 4049 1 11 16 GLY . 4049 1 12 17 GLY . 4049 1 13 18 THR . 4049 1 14 19 CYS . 4049 1 15 20 VAL . 4049 1 16 21 SER . 4049 1 17 22 ASN . 4049 1 18 23 LYS . 4049 1 19 24 TYR . 4049 1 20 25 PHE . 4049 1 21 26 SER . 4049 1 22 27 ASN . 4049 1 23 28 ILE . 4049 1 24 29 HIS . 4049 1 25 30 TRP . 4049 1 26 31 CYS . 4049 1 27 32 ASN . 4049 1 28 33 CYS . 4049 1 29 34 PRO . 4049 1 30 35 LYS . 4049 1 31 36 LYS . 4049 1 32 37 PHE . 4049 1 33 38 GLY . 4049 1 34 39 GLY . 4049 1 35 40 GLN . 4049 1 36 41 HIS . 4049 1 37 42 CYS . 4049 1 38 43 GLU . 4049 1 39 44 ILE . 4049 1 40 45 ASP . 4049 1 41 46 LYS . 4049 1 42 47 SER . 4049 1 43 48 LYS . 4049 1 44 49 THR . 4049 1 45 50 CYS . 4049 1 46 51 TYR . 4049 1 47 52 GLU . 4049 1 48 53 GLY . 4049 1 49 54 ASN . 4049 1 50 55 GLY . 4049 1 51 56 HIS . 4049 1 52 57 PHE . 4049 1 53 58 TYR . 4049 1 54 59 ARG . 4049 1 55 60 GLY . 4049 1 56 61 LYS . 4049 1 57 62 ALA . 4049 1 58 63 SER . 4049 1 59 64 THR . 4049 1 60 65 ASP . 4049 1 61 66 THR . 4049 1 62 67 MET . 4049 1 63 68 GLY . 4049 1 64 69 ARG . 4049 1 65 70 PRO . 4049 1 66 71 CYS . 4049 1 67 72 LEU . 4049 1 68 73 PRO . 4049 1 69 74 TRP . 4049 1 70 75 ASN . 4049 1 71 76 SER . 4049 1 72 77 ALA . 4049 1 73 78 THR . 4049 1 74 79 VAL . 4049 1 75 80 LEU . 4049 1 76 81 GLN . 4049 1 77 82 GLN . 4049 1 78 83 THR . 4049 1 79 84 TYR . 4049 1 80 85 HIS . 4049 1 81 86 ALA . 4049 1 82 87 HIS . 4049 1 83 88 ARG . 4049 1 84 89 SER . 4049 1 85 90 ASP . 4049 1 86 91 ALA . 4049 1 87 92 LEU . 4049 1 88 93 GLN . 4049 1 89 94 LEU . 4049 1 90 95 GLY . 4049 1 91 96 LEU . 4049 1 92 97 GLY . 4049 1 93 98 LYS . 4049 1 94 99 HIS . 4049 1 95 100 ASN . 4049 1 96 101 TYR . 4049 1 97 102 CYS . 4049 1 98 103 ARG . 4049 1 99 104 ASN . 4049 1 100 105 PRO . 4049 1 101 106 ASP . 4049 1 102 107 ASN . 4049 1 103 108 ARG . 4049 1 104 109 ARG . 4049 1 105 110 ARG . 4049 1 106 111 PRO . 4049 1 107 112 TRP . 4049 1 108 113 CYS . 4049 1 109 114 TYR . 4049 1 110 115 VAL . 4049 1 111 116 GLN . 4049 1 112 117 VAL . 4049 1 113 118 GLY . 4049 1 114 119 LEU . 4049 1 115 120 LYS . 4049 1 116 121 PRO . 4049 1 117 122 LEU . 4049 1 118 123 VAL . 4049 1 119 124 GLN . 4049 1 120 125 GLU . 4049 1 121 126 CYS . 4049 1 122 127 MET . 4049 1 123 128 VAL . 4049 1 124 129 HIS . 4049 1 125 130 ASP . 4049 1 126 131 CYS . 4049 1 127 132 ALA . 4049 1 128 133 ASP . 4049 1 129 134 GLY . 4049 1 130 135 LYS . 4049 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 . GLN 1 1 4049 1 . VAL 2 2 4049 1 . PRO 3 3 4049 1 . SER 4 4 4049 1 . ASN 5 5 4049 1 . CYS 6 6 4049 1 . ASP 7 7 4049 1 . CYS 8 8 4049 1 . LEU 9 9 4049 1 . ASN 10 10 4049 1 . GLY 11 11 4049 1 . GLY 12 12 4049 1 . THR 13 13 4049 1 . CYS 14 14 4049 1 . VAL 15 15 4049 1 . SER 16 16 4049 1 . ASN 17 17 4049 1 . LYS 18 18 4049 1 . TYR 19 19 4049 1 . PHE 20 20 4049 1 . SER 21 21 4049 1 . ASN 22 22 4049 1 . ILE 23 23 4049 1 . HIS 24 24 4049 1 . TRP 25 25 4049 1 . CYS 26 26 4049 1 . ASN 27 27 4049 1 . CYS 28 28 4049 1 . PRO 29 29 4049 1 . LYS 30 30 4049 1 . LYS 31 31 4049 1 . PHE 32 32 4049 1 . GLY 33 33 4049 1 . GLY 34 34 4049 1 . GLN 35 35 4049 1 . HIS 36 36 4049 1 . CYS 37 37 4049 1 . GLU 38 38 4049 1 . ILE 39 39 4049 1 . ASP 40 40 4049 1 . LYS 41 41 4049 1 . SER 42 42 4049 1 . LYS 43 43 4049 1 . THR 44 44 4049 1 . CYS 45 45 4049 1 . TYR 46 46 4049 1 . GLU 47 47 4049 1 . GLY 48 48 4049 1 . ASN 49 49 4049 1 . GLY 50 50 4049 1 . HIS 51 51 4049 1 . PHE 52 52 4049 1 . TYR 53 53 4049 1 . ARG 54 54 4049 1 . GLY 55 55 4049 1 . LYS 56 56 4049 1 . ALA 57 57 4049 1 . SER 58 58 4049 1 . THR 59 59 4049 1 . ASP 60 60 4049 1 . THR 61 61 4049 1 . MET 62 62 4049 1 . GLY 63 63 4049 1 . ARG 64 64 4049 1 . PRO 65 65 4049 1 . CYS 66 66 4049 1 . LEU 67 67 4049 1 . PRO 68 68 4049 1 . TRP 69 69 4049 1 . ASN 70 70 4049 1 . SER 71 71 4049 1 . ALA 72 72 4049 1 . THR 73 73 4049 1 . VAL 74 74 4049 1 . LEU 75 75 4049 1 . GLN 76 76 4049 1 . GLN 77 77 4049 1 . THR 78 78 4049 1 . TYR 79 79 4049 1 . HIS 80 80 4049 1 . ALA 81 81 4049 1 . HIS 82 82 4049 1 . ARG 83 83 4049 1 . SER 84 84 4049 1 . ASP 85 85 4049 1 . ALA 86 86 4049 1 . LEU 87 87 4049 1 . GLN 88 88 4049 1 . LEU 89 89 4049 1 . GLY 90 90 4049 1 . LEU 91 91 4049 1 . GLY 92 92 4049 1 . LYS 93 93 4049 1 . HIS 94 94 4049 1 . ASN 95 95 4049 1 . TYR 96 96 4049 1 . CYS 97 97 4049 1 . ARG 98 98 4049 1 . ASN 99 99 4049 1 . PRO 100 100 4049 1 . ASP 101 101 4049 1 . ASN 102 102 4049 1 . ARG 103 103 4049 1 . ARG 104 104 4049 1 . ARG 105 105 4049 1 . PRO 106 106 4049 1 . TRP 107 107 4049 1 . CYS 108 108 4049 1 . TYR 109 109 4049 1 . VAL 110 110 4049 1 . GLN 111 111 4049 1 . VAL 112 112 4049 1 . GLY 113 113 4049 1 . LEU 114 114 4049 1 . LYS 115 115 4049 1 . PRO 116 116 4049 1 . LEU 117 117 4049 1 . VAL 118 118 4049 1 . GLN 119 119 4049 1 . GLU 120 120 4049 1 . CYS 121 121 4049 1 . MET 122 122 4049 1 . VAL 123 123 4049 1 . HIS 124 124 4049 1 . ASP 125 125 4049 1 . CYS 126 126 4049 1 . ALA 127 127 4049 1 . ASP 128 128 4049 1 . GLY 129 129 4049 1 . LYS 130 130 4049 1 stop_ save_ save_entity_FCB _Entity.Sf_category entity _Entity.Sf_framecode entity_FCB _Entity.Entry_ID 4049 _Entity.ID 2 _Entity.BMRB_code FCB _Entity.Name BETA-D-FUCOSE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FCB _Entity.Nonpolymer_comp_label $chem_comp_FCB _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 164.156 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BETA-D-FUCOSE BMRB 4049 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID BETA-D-FUCOSE BMRB 4049 2 FCB 'Three letter code' 4049 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 1 FCB $FCB 4049 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 FCB C1 4049 2 2 1 FCB C2 4049 2 3 1 FCB C3 4049 2 4 1 FCB C4 4049 2 5 1 FCB C5 4049 2 6 1 FCB C6 4049 2 7 1 FCB H1 4049 2 8 1 FCB H2 4049 2 9 1 FCB H3 4049 2 10 1 FCB H4 4049 2 11 1 FCB H5 4049 2 12 1 FCB H61 4049 2 13 1 FCB H62 4049 2 14 1 FCB H63 4049 2 15 1 FCB HO1 4049 2 16 1 FCB HO2 4049 2 17 1 FCB HO3 4049 2 18 1 FCB HO4 4049 2 19 1 FCB O1 4049 2 20 1 FCB O2 4049 2 21 1 FCB O3 4049 2 22 1 FCB O4 4049 2 23 1 FCB O5 4049 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 4049 _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 $ATF . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4049 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 4049 _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 $ATF . 'recombinant technology' . 'CHO cells' . . . . . . . ovary . . Sp2/0 . . . . . . . . . . . . . . . . 4049 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FCB _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FCB _Chem_comp.Entry_ID 4049 _Chem_comp.ID FCB _Chem_comp.Provenance PDB _Chem_comp.Name BETA-D-FUCOSE _Chem_comp.Type D-SACCHARIDE _Chem_comp.BMRB_code FCB _Chem_comp.PDB_code FCB _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FCB _Chem_comp.Number_atoms_all 23 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1 _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 no _Chem_comp.Formula 'C6 H12 O5' _Chem_comp.Formula_weight 164.156 _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 1ABF _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1C(C(C(C(O1)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 4049 FCB C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4049 FCB C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O SMILES_CANONICAL CACTVS 3.341 4049 FCB C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.341 4049 FCB InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m1/s1 InChI InChI 1.03 4049 FCB OC1C(O)C(OC(O)C1O)C SMILES ACDLabs 10.04 4049 FCB SHZGCJCMOBCMKK-FPRJBGLDSA-N InChIKey InChI 1.03 4049 FCB 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 (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4049 FCB 6-deoxy-beta-D-galactopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 4049 FCB stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . R 0 . . . 1 no no . . . . 14.092 . 56.350 . 55.196 . 1.246 0.218 -0.708 1 . 4049 FCB C2 C2 C2 C2 . C . . R 0 . . . 1 no no . . . . 12.678 . 56.767 . 54.877 . -0.142 -0.179 -1.213 2 . 4049 FCB C3 C3 C3 C3 . C . . S 0 . . . 1 no no . . . . 12.196 . 56.135 . 53.772 . -1.204 0.530 -0.366 3 . 4049 FCB C4 C4 C4 C4 . C . . R 0 . . . 1 no no . . . . 13.050 . 56.357 . 52.472 . -0.935 0.225 1.111 4 . 4049 FCB C5 C5 C5 C5 . C . . R 0 . . . 1 no no . . . . 14.470 . 55.847 . 52.830 . 0.512 0.594 1.441 5 . 4049 FCB C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 15.540 . 56.149 . 51.803 . 0.780 0.326 2.923 6 . 4049 FCB O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . 14.625 . 57.176 . 56.216 . 2.243 -0.414 -1.513 7 . 4049 FCB O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 11.863 . 56.407 . 56.045 . -0.282 0.208 -2.582 8 . 4049 FCB O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 10.759 . 56.537 . 53.390 . -2.502 0.056 -0.728 9 . 4049 FCB O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 13.127 . 57.772 . 52.176 . -1.146 -1.166 1.358 10 . 4049 FCB O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 14.913 . 56.486 . 54.037 . 1.402 -0.190 0.649 11 . 4049 FCB H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 14.076 . 55.287 . 55.534 . 1.360 1.300 -0.776 12 . 4049 FCB H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 12.646 . 57.860 . 54.661 . -0.266 -1.258 -1.125 13 . 4049 FCB H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 12.239 . 55.069 . 54.096 . -1.147 1.606 -0.535 14 . 4049 FCB H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 12.611 . 55.833 . 51.590 . -1.610 0.813 1.733 15 . 4049 FCB H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 14.356 . 54.740 . 52.908 . 0.675 1.651 1.228 16 . 4049 FCB H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 16.561 . 55.782 . 52.060 . 1.811 0.591 3.159 17 . 4049 FCB H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 15.233 . 55.761 . 50.803 . 0.103 0.927 3.529 18 . 4049 FCB H63 H63 H63 3H6 . H . . N 0 . . . 1 no no . . . . 15.567 . 57.242 . 51.587 . 0.619 -0.730 3.136 19 . 4049 FCB HO1 HO1 HO1 HO1 . H . . N 0 . . . 1 no no . . . . 15.515 . 56.913 . 56.416 . 3.101 -0.135 -1.166 20 . 4049 FCB HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 10.972 . 56.669 . 55.844 . 0.408 -0.255 -3.075 21 . 4049 FCB HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no no . . . . 10.422 . 56.095 . 52.618 . -2.622 0.257 -1.667 22 . 4049 FCB HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 no no . . . . 13.643 . 57.906 . 51.390 . -0.967 -1.313 2.296 23 . 4049 FCB 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 . SING C1 C2 no N 1 . 4049 FCB 2 . SING C1 O1 no N 2 . 4049 FCB 3 . SING C1 O5 no N 3 . 4049 FCB 4 . SING C1 H1 no N 4 . 4049 FCB 5 . SING C2 C3 no N 5 . 4049 FCB 6 . SING C2 O2 no N 6 . 4049 FCB 7 . SING C2 H2 no N 7 . 4049 FCB 8 . SING C3 C4 no N 8 . 4049 FCB 9 . SING C3 O3 no N 9 . 4049 FCB 10 . SING C3 H3 no N 10 . 4049 FCB 11 . SING C4 C5 no N 11 . 4049 FCB 12 . SING C4 O4 no N 12 . 4049 FCB 13 . SING C4 H4 no N 13 . 4049 FCB 14 . SING C5 C6 no N 14 . 4049 FCB 15 . SING C5 O5 no N 15 . 4049 FCB 16 . SING C5 H5 no N 16 . 4049 FCB 17 . SING C6 H61 no N 17 . 4049 FCB 18 . SING C6 H62 no N 18 . 4049 FCB 19 . SING C6 H63 no N 19 . 4049 FCB 20 . SING O1 HO1 no N 20 . 4049 FCB 21 . SING O2 HO2 no N 21 . 4049 FCB 22 . SING O3 HO3 no N 22 . 4049 FCB 23 . SING O4 HO4 no N 23 . 4049 FCB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4049 _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 'u-PA amino-terminal fragment' [U-15N] . . 1 $ATF . . 1.0 . . mM . . . . 4049 1 2 D2O . . . . . . . 10 . . % . . . . 4049 1 3 H2O . . . . . . . 90 . . % . . . . 4049 1 4 'sodium acetate-d3' . . . . . . . . . . . . . . . 4049 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4049 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'u-PA amino-terminal fragment' '[U-13C; U-15N]' . . 1 $ATF . . 1.0 . . mM . . . . 4049 2 2 D2O . . . . . . . 10 . . % . . . . 4049 2 3 H2O . . . . . . . 90 . . % . . . . 4049 2 4 'sodium acetate-d3' . . . . . . . . . . . . . . . 4049 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4049 _Sample.ID 3 _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 'u-PA amino-terminal fragment' '[U-13C; U-15N]' . . 1 $ATF . . 2.0 . . mM . . . . 4049 3 2 D2O . . . . . . . 100 . . % . . . . 4049 3 3 'sodium acetate-d3' . . . . . . . . . . . . . . . 4049 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4049 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Temperature conditions used for all samples were the same.' 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 4.5 . na 4049 1 temperature 303 . K 4049 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4049 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4049 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4049 _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 NMR_spectrometer_one Bruker AMX . 500 . . . 4049 1 2 NMR_spectrometer_two Bruker AMX . 600 . . . 4049 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 4049 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_one _Chem_shift_reference.Entry_ID 4049 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 0.00 . . . . . . . . . . . . 4049 1 H 1 H2O protons . . . . ppm 4.74 . . . . . . . . . . . . 4049 1 N 15 NH4NO3 . . . . . ppm 119.4 . . . . . . . . . . . . 4049 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4049 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_one _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 . . 2 $sample_two . 4049 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 GLN HA H 1 4.4 . . 1 . . . . . . . . 4049 1 2 . 1 1 1 1 GLN HB2 H 1 2.51 . . 2 . . . . . . . . 4049 1 3 . 1 1 1 1 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 4049 1 4 . 1 1 1 1 GLN HG2 H 1 2.45 . . 1 . . . . . . . . 4049 1 5 . 1 1 1 1 GLN HG3 H 1 2.45 . . 1 . . . . . . . . 4049 1 6 . 1 1 1 1 GLN CA C 13 59.00 . . 1 . . . . . . . . 4049 1 7 . 1 1 1 1 GLN CB C 13 27.4 . . 1 . . . . . . . . 4049 1 8 . 1 1 2 2 VAL H H 1 8.2 . . 1 . . . . . . . . 4049 1 9 . 1 1 2 2 VAL HA H 1 4.46 . . 1 . . . . . . . . 4049 1 10 . 1 1 2 2 VAL HB H 1 2.1 . . 1 . . . . . . . . 4049 1 11 . 1 1 2 2 VAL HG11 H 1 0.99 . . 2 . . . . . . . . 4049 1 12 . 1 1 2 2 VAL HG12 H 1 0.99 . . 2 . . . . . . . . 4049 1 13 . 1 1 2 2 VAL HG13 H 1 0.99 . . 2 . . . . . . . . 4049 1 14 . 1 1 2 2 VAL HG21 H 1 0.95 . . 2 . . . . . . . . 4049 1 15 . 1 1 2 2 VAL HG22 H 1 0.95 . . 2 . . . . . . . . 4049 1 16 . 1 1 2 2 VAL HG23 H 1 0.95 . . 2 . . . . . . . . 4049 1 17 . 1 1 2 2 VAL CA C 13 59.5 . . 1 . . . . . . . . 4049 1 18 . 1 1 2 2 VAL CB C 13 32.3 . . 1 . . . . . . . . 4049 1 19 . 1 1 2 2 VAL CG1 C 13 20.8 . . 2 . . . . . . . . 4049 1 20 . 1 1 2 2 VAL CG2 C 13 20.00 . . 2 . . . . . . . . 4049 1 21 . 1 1 2 2 VAL N N 15 120.9 . . 1 . . . . . . . . 4049 1 22 . 1 1 3 3 PRO HA H 1 4.46 . . 1 . . . . . . . . 4049 1 23 . 1 1 3 3 PRO HB2 H 1 2.3 . . 2 . . . . . . . . 4049 1 24 . 1 1 3 3 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 4049 1 25 . 1 1 3 3 PRO HG2 H 1 2.03 . . 2 . . . . . . . . 4049 1 26 . 1 1 3 3 PRO HG3 H 1 1.97 . . 2 . . . . . . . . 4049 1 27 . 1 1 3 3 PRO HD2 H 1 3.89 . . 2 . . . . . . . . 4049 1 28 . 1 1 3 3 PRO HD3 H 1 3.7 . . 2 . . . . . . . . 4049 1 29 . 1 1 3 3 PRO CA C 13 62.9 . . 1 . . . . . . . . 4049 1 30 . 1 1 3 3 PRO CB C 13 32.1 . . 1 . . . . . . . . 4049 1 31 . 1 1 3 3 PRO CG C 13 27.1 . . 1 . . . . . . . . 4049 1 32 . 1 1 3 3 PRO CD C 13 50.7 . . 1 . . . . . . . . 4049 1 33 . 1 1 4 4 SER H H 1 8.36 . . 1 . . . . . . . . 4049 1 34 . 1 1 4 4 SER HA H 1 4.43 . . 1 . . . . . . . . 4049 1 35 . 1 1 4 4 SER HB2 H 1 3.89 . . 2 . . . . . . . . 4049 1 36 . 1 1 4 4 SER HB3 H 1 3.83 . . 2 . . . . . . . . 4049 1 37 . 1 1 4 4 SER CA C 13 57.5 . . 1 . . . . . . . . 4049 1 38 . 1 1 4 4 SER CB C 13 64.00 . . 1 . . . . . . . . 4049 1 39 . 1 1 4 4 SER N N 15 115.7 . . 1 . . . . . . . . 4049 1 40 . 1 1 5 5 ASN H H 1 8.39 . . 1 . . . . . . . . 4049 1 41 . 1 1 5 5 ASN HA H 1 4.7 . . 1 . . . . . . . . 4049 1 42 . 1 1 5 5 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 4049 1 43 . 1 1 5 5 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 4049 1 44 . 1 1 5 5 ASN CA C 13 53.00 . . 1 . . . . . . . . 4049 1 45 . 1 1 5 5 ASN CB C 13 38.4 . . 1 . . . . . . . . 4049 1 46 . 1 1 5 5 ASN N N 15 119.3 . . 1 . . . . . . . . 4049 1 47 . 1 1 6 6 CYS H H 1 8.24 . . 1 . . . . . . . . 4049 1 48 . 1 1 6 6 CYS HA H 1 4.35 . . 1 . . . . . . . . 4049 1 49 . 1 1 6 6 CYS HB2 H 1 3.09 . . 1 . . . . . . . . 4049 1 50 . 1 1 6 6 CYS HB3 H 1 3.09 . . 1 . . . . . . . . 4049 1 51 . 1 1 6 6 CYS N N 15 117.1 . . 1 . . . . . . . . 4049 1 52 . 1 1 7 7 ASP H H 1 8.31 . . 1 . . . . . . . . 4049 1 53 . 1 1 7 7 ASP HA H 1 4.47 . . 1 . . . . . . . . 4049 1 54 . 1 1 7 7 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 4049 1 55 . 1 1 7 7 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 4049 1 56 . 1 1 7 7 ASP CA C 13 53.5 . . 1 . . . . . . . . 4049 1 57 . 1 1 7 7 ASP CB C 13 39.4 . . 1 . . . . . . . . 4049 1 58 . 1 1 7 7 ASP N N 15 120.1 . . 1 . . . . . . . . 4049 1 59 . 1 1 8 8 CYS H H 1 8.17 . . 1 . . . . . . . . 4049 1 60 . 1 1 8 8 CYS HA H 1 4.57 . . 1 . . . . . . . . 4049 1 61 . 1 1 8 8 CYS HB2 H 1 2.6 . . 1 . . . . . . . . 4049 1 62 . 1 1 8 8 CYS HB3 H 1 2.6 . . 1 . . . . . . . . 4049 1 63 . 1 1 8 8 CYS N N 15 117.6 . . 1 . . . . . . . . 4049 1 64 . 1 1 9 9 LEU H H 1 8.44 . . 1 . . . . . . . . 4049 1 65 . 1 1 9 9 LEU HA H 1 4.39 . . 1 . . . . . . . . 4049 1 66 . 1 1 9 9 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 4049 1 67 . 1 1 9 9 LEU HB3 H 1 1.39 . . 2 . . . . . . . . 4049 1 68 . 1 1 9 9 LEU HG H 1 1.78 . . 1 . . . . . . . . 4049 1 69 . 1 1 9 9 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 4049 1 70 . 1 1 9 9 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 4049 1 71 . 1 1 9 9 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 4049 1 72 . 1 1 9 9 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 4049 1 73 . 1 1 9 9 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 4049 1 74 . 1 1 9 9 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 4049 1 75 . 1 1 9 9 LEU CA C 13 54.1 . . 1 . . . . . . . . 4049 1 76 . 1 1 9 9 LEU CB C 13 43.3 . . 1 . . . . . . . . 4049 1 77 . 1 1 9 9 LEU CG C 13 27.4 . . 1 . . . . . . . . 4049 1 78 . 1 1 9 9 LEU CD1 C 13 25.3 . . 2 . . . . . . . . 4049 1 79 . 1 1 9 9 LEU CD2 C 13 22.1 . . 2 . . . . . . . . 4049 1 80 . 1 1 9 9 LEU N N 15 124.7 . . 1 . . . . . . . . 4049 1 81 . 1 1 10 10 ASN H H 1 8.52 . . 1 . . . . . . . . 4049 1 82 . 1 1 10 10 ASN HA H 1 3.93 . . 1 . . . . . . . . 4049 1 83 . 1 1 10 10 ASN HB2 H 1 1.94 . . 2 . . . . . . . . 4049 1 84 . 1 1 10 10 ASN HB3 H 1 1.46 . . 2 . . . . . . . . 4049 1 85 . 1 1 10 10 ASN CA C 13 54.8 . . 1 . . . . . . . . 4049 1 86 . 1 1 10 10 ASN CB C 13 36.8 . . 1 . . . . . . . . 4049 1 87 . 1 1 10 10 ASN N N 15 110.1 . . 1 . . . . . . . . 4049 1 88 . 1 1 11 11 GLY H H 1 8.38 . . 1 . . . . . . . . 4049 1 89 . 1 1 11 11 GLY HA2 H 1 4.06 . . 2 . . . . . . . . 4049 1 90 . 1 1 11 11 GLY HA3 H 1 3.63 . . 2 . . . . . . . . 4049 1 91 . 1 1 11 11 GLY CA C 13 45.00 . . 1 . . . . . . . . 4049 1 92 . 1 1 11 11 GLY N N 15 101.9 . . 1 . . . . . . . . 4049 1 93 . 1 1 12 12 GLY H H 1 7.46 . . 1 . . . . . . . . 4049 1 94 . 1 1 12 12 GLY HA2 H 1 4.44 . . 2 . . . . . . . . 4049 1 95 . 1 1 12 12 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 4049 1 96 . 1 1 12 12 GLY CA C 13 45.7 . . 1 . . . . . . . . 4049 1 97 . 1 1 12 12 GLY N N 15 102.6 . . 1 . . . . . . . . 4049 1 98 . 1 1 13 13 THR H H 1 8.88 . . 1 . . . . . . . . 4049 1 99 . 1 1 13 13 THR HA H 1 4.65 . . 1 . . . . . . . . 4049 1 100 . 1 1 13 13 THR HB H 1 3.87 . . 1 . . . . . . . . 4049 1 101 . 1 1 13 13 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4049 1 102 . 1 1 13 13 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4049 1 103 . 1 1 13 13 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4049 1 104 . 1 1 13 13 THR CA C 13 60.1 . . 1 . . . . . . . . 4049 1 105 . 1 1 13 13 THR CB C 13 75.8 . . 1 . . . . . . . . 4049 1 106 . 1 1 13 13 THR CG2 C 13 17.9 . . 1 . . . . . . . . 4049 1 107 . 1 1 13 13 THR N N 15 116.8 . . 1 . . . . . . . . 4049 1 108 . 1 1 14 14 CYS H H 1 9.08 . . 1 . . . . . . . . 4049 1 109 . 1 1 14 14 CYS HA H 1 4.61 . . 1 . . . . . . . . 4049 1 110 . 1 1 14 14 CYS HB2 H 1 3.12 . . 2 . . . . . . . . 4049 1 111 . 1 1 14 14 CYS HB3 H 1 2.89 . . 2 . . . . . . . . 4049 1 112 . 1 1 14 14 CYS N N 15 127.5 . . 1 . . . . . . . . 4049 1 113 . 1 1 15 15 VAL H H 1 8.98 . . 1 . . . . . . . . 4049 1 114 . 1 1 15 15 VAL HA H 1 4.06 . . 1 . . . . . . . . 4049 1 115 . 1 1 15 15 VAL HB H 1 0.83 . . 1 . . . . . . . . 4049 1 116 . 1 1 15 15 VAL HG11 H 1 0.69 . . 2 . . . . . . . . 4049 1 117 . 1 1 15 15 VAL HG12 H 1 0.69 . . 2 . . . . . . . . 4049 1 118 . 1 1 15 15 VAL HG13 H 1 0.69 . . 2 . . . . . . . . 4049 1 119 . 1 1 15 15 VAL HG21 H 1 0.41 . . 2 . . . . . . . . 4049 1 120 . 1 1 15 15 VAL HG22 H 1 0.41 . . 2 . . . . . . . . 4049 1 121 . 1 1 15 15 VAL HG23 H 1 0.41 . . 2 . . . . . . . . 4049 1 122 . 1 1 15 15 VAL CA C 13 61.1 . . 1 . . . . . . . . 4049 1 123 . 1 1 15 15 VAL CB C 13 33.1 . . 1 . . . . . . . . 4049 1 124 . 1 1 15 15 VAL CG1 C 13 21.8 . . 2 . . . . . . . . 4049 1 125 . 1 1 15 15 VAL CG2 C 13 20.00 . . 2 . . . . . . . . 4049 1 126 . 1 1 15 15 VAL N N 15 128.7 . . 1 . . . . . . . . 4049 1 127 . 1 1 16 16 SER H H 1 7.98 . . 1 . . . . . . . . 4049 1 128 . 1 1 16 16 SER HA H 1 4.68 . . 1 . . . . . . . . 4049 1 129 . 1 1 16 16 SER HB2 H 1 3.71 . . 1 . . . . . . . . 4049 1 130 . 1 1 16 16 SER HB3 H 1 3.71 . . 1 . . . . . . . . 4049 1 131 . 1 1 16 16 SER CA C 13 57.2 . . 1 . . . . . . . . 4049 1 132 . 1 1 16 16 SER CB C 13 65.00 . . 1 . . . . . . . . 4049 1 133 . 1 1 16 16 SER N N 15 116.4 . . 1 . . . . . . . . 4049 1 134 . 1 1 17 17 ASN H H 1 8.54 . . 1 . . . . . . . . 4049 1 135 . 1 1 17 17 ASN HA H 1 4.76 . . 1 . . . . . . . . 4049 1 136 . 1 1 17 17 ASN HB2 H 1 3.31 . . 2 . . . . . . . . 4049 1 137 . 1 1 17 17 ASN HB3 H 1 2.84 . . 2 . . . . . . . . 4049 1 138 . 1 1 17 17 ASN HD21 H 1 7.83 . . 2 . . . . . . . . 4049 1 139 . 1 1 17 17 ASN HD22 H 1 7.29 . . 2 . . . . . . . . 4049 1 140 . 1 1 17 17 ASN CA C 13 53.4 . . 1 . . . . . . . . 4049 1 141 . 1 1 17 17 ASN CB C 13 39.9 . . 1 . . . . . . . . 4049 1 142 . 1 1 17 17 ASN N N 15 121.7 . . 1 . . . . . . . . 4049 1 143 . 1 1 17 17 ASN ND2 N 15 113.2 . . 1 . . . . . . . . 4049 1 144 . 1 1 18 18 LYS H H 1 8.54 . . 1 . . . . . . . . 4049 1 145 . 1 1 18 18 LYS HA H 1 3.97 . . 1 . . . . . . . . 4049 1 146 . 1 1 18 18 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 4049 1 147 . 1 1 18 18 LYS HB3 H 1 1.39 . . 2 . . . . . . . . 4049 1 148 . 1 1 18 18 LYS HG2 H 1 1.01 . . 1 . . . . . . . . 4049 1 149 . 1 1 18 18 LYS HG3 H 1 1.01 . . 1 . . . . . . . . 4049 1 150 . 1 1 18 18 LYS HD2 H 1 1.49 . . 1 . . . . . . . . 4049 1 151 . 1 1 18 18 LYS HD3 H 1 1.49 . . 1 . . . . . . . . 4049 1 152 . 1 1 18 18 LYS HE2 H 1 2.86 . . 1 . . . . . . . . 4049 1 153 . 1 1 18 18 LYS HE3 H 1 2.86 . . 1 . . . . . . . . 4049 1 154 . 1 1 18 18 LYS CA C 13 57.9 . . 1 . . . . . . . . 4049 1 155 . 1 1 18 18 LYS CB C 13 32.3 . . 1 . . . . . . . . 4049 1 156 . 1 1 18 18 LYS CG C 13 25.3 . . 1 . . . . . . . . 4049 1 157 . 1 1 18 18 LYS CD C 13 28.9 . . 1 . . . . . . . . 4049 1 158 . 1 1 18 18 LYS CE C 13 41.7 . . 1 . . . . . . . . 4049 1 159 . 1 1 18 18 LYS N N 15 123.1 . . 1 . . . . . . . . 4049 1 160 . 1 1 19 19 TYR H H 1 8.15 . . 1 . . . . . . . . 4049 1 161 . 1 1 19 19 TYR HA H 1 4.36 . . 1 . . . . . . . . 4049 1 162 . 1 1 19 19 TYR HB2 H 1 2.73 . . 2 . . . . . . . . 4049 1 163 . 1 1 19 19 TYR HB3 H 1 2.64 . . 2 . . . . . . . . 4049 1 164 . 1 1 19 19 TYR HD1 H 1 7.03 . . 1 . . . . . . . . 4049 1 165 . 1 1 19 19 TYR HD2 H 1 7.03 . . 1 . . . . . . . . 4049 1 166 . 1 1 19 19 TYR HE1 H 1 6.79 . . 1 . . . . . . . . 4049 1 167 . 1 1 19 19 TYR HE2 H 1 6.79 . . 1 . . . . . . . . 4049 1 168 . 1 1 19 19 TYR CA C 13 58.5 . . 1 . . . . . . . . 4049 1 169 . 1 1 19 19 TYR CB C 13 38.4 . . 1 . . . . . . . . 4049 1 170 . 1 1 19 19 TYR CD1 C 13 133.00 . . 1 . . . . . . . . 4049 1 171 . 1 1 19 19 TYR CD2 C 13 133.00 . . 1 . . . . . . . . 4049 1 172 . 1 1 19 19 TYR CE1 C 13 118.2 . . 1 . . . . . . . . 4049 1 173 . 1 1 19 19 TYR CE2 C 13 118.2 . . 1 . . . . . . . . 4049 1 174 . 1 1 19 19 TYR N N 15 116.9 . . 1 . . . . . . . . 4049 1 175 . 1 1 20 20 PHE H H 1 7.86 . . 1 . . . . . . . . 4049 1 176 . 1 1 20 20 PHE HA H 1 4.87 . . 1 . . . . . . . . 4049 1 177 . 1 1 20 20 PHE HB2 H 1 3.31 . . 2 . . . . . . . . 4049 1 178 . 1 1 20 20 PHE HB3 H 1 2.89 . . 2 . . . . . . . . 4049 1 179 . 1 1 20 20 PHE HD1 H 1 7.3 . . 1 . . . . . . . . 4049 1 180 . 1 1 20 20 PHE HD2 H 1 7.3 . . 1 . . . . . . . . 4049 1 181 . 1 1 20 20 PHE HE1 H 1 7.37 . . 1 . . . . . . . . 4049 1 182 . 1 1 20 20 PHE HE2 H 1 7.37 . . 1 . . . . . . . . 4049 1 183 . 1 1 20 20 PHE HZ H 1 7.28 . . 1 . . . . . . . . 4049 1 184 . 1 1 20 20 PHE CA C 13 56.4 . . 1 . . . . . . . . 4049 1 185 . 1 1 20 20 PHE CB C 13 39.7 . . 1 . . . . . . . . 4049 1 186 . 1 1 20 20 PHE CD1 C 13 132.1 . . 1 . . . . . . . . 4049 1 187 . 1 1 20 20 PHE CD2 C 13 132.1 . . 1 . . . . . . . . 4049 1 188 . 1 1 20 20 PHE CE1 C 13 131.5 . . 1 . . . . . . . . 4049 1 189 . 1 1 20 20 PHE CE2 C 13 131.5 . . 1 . . . . . . . . 4049 1 190 . 1 1 20 20 PHE CZ C 13 132.6 . . 1 . . . . . . . . 4049 1 191 . 1 1 20 20 PHE N N 15 119.00 . . 1 . . . . . . . . 4049 1 192 . 1 1 21 21 SER H H 1 8.39 . . 1 . . . . . . . . 4049 1 193 . 1 1 21 21 SER HA H 1 4.38 . . 1 . . . . . . . . 4049 1 194 . 1 1 21 21 SER HB2 H 1 3.98 . . 2 . . . . . . . . 4049 1 195 . 1 1 21 21 SER HB3 H 1 3.92 . . 2 . . . . . . . . 4049 1 196 . 1 1 21 21 SER CA C 13 60.1 . . 1 . . . . . . . . 4049 1 197 . 1 1 21 21 SER CB C 13 63.5 . . 1 . . . . . . . . 4049 1 198 . 1 1 21 21 SER N N 15 116.4 . . 1 . . . . . . . . 4049 1 199 . 1 1 22 22 ASN H H 1 8.58 . . 1 . . . . . . . . 4049 1 200 . 1 1 22 22 ASN HA H 1 4.72 . . 1 . . . . . . . . 4049 1 201 . 1 1 22 22 ASN HB2 H 1 2.9 . . 1 . . . . . . . . 4049 1 202 . 1 1 22 22 ASN HB3 H 1 2.9 . . 1 . . . . . . . . 4049 1 203 . 1 1 22 22 ASN CA C 13 53.5 . . 1 . . . . . . . . 4049 1 204 . 1 1 22 22 ASN CB C 13 37.7 . . 1 . . . . . . . . 4049 1 205 . 1 1 22 22 ASN N N 15 116.4 . . 1 . . . . . . . . 4049 1 206 . 1 1 23 23 ILE H H 1 7.83 . . 1 . . . . . . . . 4049 1 207 . 1 1 23 23 ILE HA H 1 4.37 . . 1 . . . . . . . . 4049 1 208 . 1 1 23 23 ILE HB H 1 2.05 . . 1 . . . . . . . . 4049 1 209 . 1 1 23 23 ILE HG12 H 1 1.53 . . 2 . . . . . . . . 4049 1 210 . 1 1 23 23 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 4049 1 211 . 1 1 23 23 ILE HG21 H 1 1.02 . . 1 . . . . . . . . 4049 1 212 . 1 1 23 23 ILE HG22 H 1 1.02 . . 1 . . . . . . . . 4049 1 213 . 1 1 23 23 ILE HG23 H 1 1.02 . . 1 . . . . . . . . 4049 1 214 . 1 1 23 23 ILE HD11 H 1 0.85 . . 1 . . . . . . . . 4049 1 215 . 1 1 23 23 ILE HD12 H 1 0.85 . . 1 . . . . . . . . 4049 1 216 . 1 1 23 23 ILE HD13 H 1 0.85 . . 1 . . . . . . . . 4049 1 217 . 1 1 23 23 ILE CA C 13 60.6 . . 1 . . . . . . . . 4049 1 218 . 1 1 23 23 ILE CB C 13 38.4 . . 1 . . . . . . . . 4049 1 219 . 1 1 23 23 ILE CG1 C 13 26.8 . . 2 . . . . . . . . 4049 1 220 . 1 1 23 23 ILE CG2 C 13 16.9 . . 2 . . . . . . . . 4049 1 221 . 1 1 23 23 ILE CD1 C 13 12.5 . . 1 . . . . . . . . 4049 1 222 . 1 1 23 23 ILE N N 15 120.4 . . 1 . . . . . . . . 4049 1 223 . 1 1 24 24 HIS H H 1 8.33 . . 1 . . . . . . . . 4049 1 224 . 1 1 24 24 HIS HA H 1 5.48 . . 1 . . . . . . . . 4049 1 225 . 1 1 24 24 HIS HB2 H 1 3.21 . . 2 . . . . . . . . 4049 1 226 . 1 1 24 24 HIS HB3 H 1 3.09 . . 2 . . . . . . . . 4049 1 227 . 1 1 24 24 HIS HD2 H 1 7.05 . . 1 . . . . . . . . 4049 1 228 . 1 1 24 24 HIS CA C 13 53.8 . . 1 . . . . . . . . 4049 1 229 . 1 1 24 24 HIS CB C 13 31.6 . . 1 . . . . . . . . 4049 1 230 . 1 1 24 24 HIS CD2 C 13 119.7 . . 1 . . . . . . . . 4049 1 231 . 1 1 24 24 HIS N N 15 121.00 . . 1 . . . . . . . . 4049 1 232 . 1 1 25 25 TRP H H 1 8.79 . . 1 . . . . . . . . 4049 1 233 . 1 1 25 25 TRP HA H 1 5.08 . . 1 . . . . . . . . 4049 1 234 . 1 1 25 25 TRP HB2 H 1 3.44 . . 2 . . . . . . . . 4049 1 235 . 1 1 25 25 TRP HB3 H 1 3.34 . . 2 . . . . . . . . 4049 1 236 . 1 1 25 25 TRP HD1 H 1 6.97 . . 1 . . . . . . . . 4049 1 237 . 1 1 25 25 TRP HE1 H 1 10.03 . . 1 . . . . . . . . 4049 1 238 . 1 1 25 25 TRP HE3 H 1 7.29 . . 1 . . . . . . . . 4049 1 239 . 1 1 25 25 TRP HZ2 H 1 7.39 . . 1 . . . . . . . . 4049 1 240 . 1 1 25 25 TRP HZ3 H 1 6.95 . . 1 . . . . . . . . 4049 1 241 . 1 1 25 25 TRP HH2 H 1 7.08 . . 1 . . . . . . . . 4049 1 242 . 1 1 25 25 TRP CA C 13 56.4 . . 1 . . . . . . . . 4049 1 243 . 1 1 25 25 TRP CB C 13 30.5 . . 1 . . . . . . . . 4049 1 244 . 1 1 25 25 TRP CD1 C 13 127.4 . . 1 . . . . . . . . 4049 1 245 . 1 1 25 25 TRP CE3 C 13 120.8 . . 1 . . . . . . . . 4049 1 246 . 1 1 25 25 TRP CZ2 C 13 115.00 . . 1 . . . . . . . . 4049 1 247 . 1 1 25 25 TRP CZ3 C 13 121.3 . . 1 . . . . . . . . 4049 1 248 . 1 1 25 25 TRP CH2 C 13 123.7 . . 1 . . . . . . . . 4049 1 249 . 1 1 25 25 TRP N N 15 119.7 . . 1 . . . . . . . . 4049 1 250 . 1 1 25 25 TRP NE1 N 15 129.4 . . 1 . . . . . . . . 4049 1 251 . 1 1 26 26 CYS H H 1 8.84 . . 1 . . . . . . . . 4049 1 252 . 1 1 26 26 CYS HA H 1 5.23 . . 1 . . . . . . . . 4049 1 253 . 1 1 26 26 CYS HB2 H 1 2.91 . . 2 . . . . . . . . 4049 1 254 . 1 1 26 26 CYS HB3 H 1 2.67 . . 2 . . . . . . . . 4049 1 255 . 1 1 26 26 CYS N N 15 115.3 . . 1 . . . . . . . . 4049 1 256 . 1 1 27 27 ASN H H 1 9.33 . . 1 . . . . . . . . 4049 1 257 . 1 1 27 27 ASN HA H 1 5.18 . . 1 . . . . . . . . 4049 1 258 . 1 1 27 27 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 4049 1 259 . 1 1 27 27 ASN HB3 H 1 2.54 . . 2 . . . . . . . . 4049 1 260 . 1 1 27 27 ASN CA C 13 51.8 . . 1 . . . . . . . . 4049 1 261 . 1 1 27 27 ASN CB C 13 39.1 . . 1 . . . . . . . . 4049 1 262 . 1 1 27 27 ASN N N 15 123.4 . . 1 . . . . . . . . 4049 1 263 . 1 1 28 28 CYS H H 1 8.93 . . 1 . . . . . . . . 4049 1 264 . 1 1 28 28 CYS HA H 1 5.29 . . 1 . . . . . . . . 4049 1 265 . 1 1 28 28 CYS HB2 H 1 3.19 . . 2 . . . . . . . . 4049 1 266 . 1 1 28 28 CYS HB3 H 1 2.75 . . 2 . . . . . . . . 4049 1 267 . 1 1 28 28 CYS N N 15 122.8 . . 1 . . . . . . . . 4049 1 268 . 1 1 29 29 PRO HA H 1 4.67 . . 1 . . . . . . . . 4049 1 269 . 1 1 29 29 PRO HB2 H 1 2.69 . . 2 . . . . . . . . 4049 1 270 . 1 1 29 29 PRO HB3 H 1 2.21 . . 2 . . . . . . . . 4049 1 271 . 1 1 29 29 PRO HG2 H 1 2.55 . . 2 . . . . . . . . 4049 1 272 . 1 1 29 29 PRO HG3 H 1 2.06 . . 2 . . . . . . . . 4049 1 273 . 1 1 29 29 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 4049 1 274 . 1 1 29 29 PRO HD3 H 1 3.53 . . 2 . . . . . . . . 4049 1 275 . 1 1 29 29 PRO CA C 13 62.7 . . 1 . . . . . . . . 4049 1 276 . 1 1 29 29 PRO CB C 13 32.1 . . 1 . . . . . . . . 4049 1 277 . 1 1 29 29 PRO CG C 13 27.9 . . 1 . . . . . . . . 4049 1 278 . 1 1 29 29 PRO CD C 13 50.6 . . 1 . . . . . . . . 4049 1 279 . 1 1 30 30 LYS H H 1 8.35 . . 1 . . . . . . . . 4049 1 280 . 1 1 30 30 LYS HA H 1 4.09 . . 1 . . . . . . . . 4049 1 281 . 1 1 30 30 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 4049 1 282 . 1 1 30 30 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 4049 1 283 . 1 1 30 30 LYS HG2 H 1 1.55 . . 1 . . . . . . . . 4049 1 284 . 1 1 30 30 LYS HG3 H 1 1.55 . . 1 . . . . . . . . 4049 1 285 . 1 1 30 30 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4049 1 286 . 1 1 30 30 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 4049 1 287 . 1 1 30 30 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 4049 1 288 . 1 1 30 30 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 4049 1 289 . 1 1 30 30 LYS CA C 13 59.3 . . 1 . . . . . . . . 4049 1 290 . 1 1 30 30 LYS CB C 13 32.3 . . 1 . . . . . . . . 4049 1 291 . 1 1 30 30 LYS CG C 13 24.7 . . 1 . . . . . . . . 4049 1 292 . 1 1 30 30 LYS CD C 13 29.2 . . 1 . . . . . . . . 4049 1 293 . 1 1 30 30 LYS CE C 13 42.00 . . 1 . . . . . . . . 4049 1 294 . 1 1 30 30 LYS N N 15 119.1 . . 1 . . . . . . . . 4049 1 295 . 1 1 31 31 LYS H H 1 7.89 . . 1 . . . . . . . . 4049 1 296 . 1 1 31 31 LYS HA H 1 3.94 . . 1 . . . . . . . . 4049 1 297 . 1 1 31 31 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 4049 1 298 . 1 1 31 31 LYS HB3 H 1 1.42 . . 2 . . . . . . . . 4049 1 299 . 1 1 31 31 LYS HG2 H 1 1.09 . . 2 . . . . . . . . 4049 1 300 . 1 1 31 31 LYS HG3 H 1 1.01 . . 2 . . . . . . . . 4049 1 301 . 1 1 31 31 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 4049 1 302 . 1 1 31 31 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 4049 1 303 . 1 1 31 31 LYS HE2 H 1 2.85 . . 1 . . . . . . . . 4049 1 304 . 1 1 31 31 LYS HE3 H 1 2.85 . . 1 . . . . . . . . 4049 1 305 . 1 1 31 31 LYS CA C 13 57.4 . . 1 . . . . . . . . 4049 1 306 . 1 1 31 31 LYS CB C 13 32.3 . . 1 . . . . . . . . 4049 1 307 . 1 1 31 31 LYS CG C 13 25.3 . . 1 . . . . . . . . 4049 1 308 . 1 1 31 31 LYS CD C 13 29.2 . . 1 . . . . . . . . 4049 1 309 . 1 1 31 31 LYS CE C 13 41.7 . . 1 . . . . . . . . 4049 1 310 . 1 1 31 31 LYS N N 15 114.6 . . 1 . . . . . . . . 4049 1 311 . 1 1 32 32 PHE H H 1 8.06 . . 1 . . . . . . . . 4049 1 312 . 1 1 32 32 PHE HA H 1 5.63 . . 1 . . . . . . . . 4049 1 313 . 1 1 32 32 PHE HB2 H 1 3.26 . . 2 . . . . . . . . 4049 1 314 . 1 1 32 32 PHE HB3 H 1 2.59 . . 2 . . . . . . . . 4049 1 315 . 1 1 32 32 PHE HD1 H 1 6.96 . . 1 . . . . . . . . 4049 1 316 . 1 1 32 32 PHE HD2 H 1 6.96 . . 1 . . . . . . . . 4049 1 317 . 1 1 32 32 PHE HE1 H 1 7.25 . . 1 . . . . . . . . 4049 1 318 . 1 1 32 32 PHE HE2 H 1 7.25 . . 1 . . . . . . . . 4049 1 319 . 1 1 32 32 PHE HZ H 1 7.21 . . 1 . . . . . . . . 4049 1 320 . 1 1 32 32 PHE CA C 13 56.7 . . 1 . . . . . . . . 4049 1 321 . 1 1 32 32 PHE CB C 13 43.1 . . 1 . . . . . . . . 4049 1 322 . 1 1 32 32 PHE CD1 C 13 132.4 . . 1 . . . . . . . . 4049 1 323 . 1 1 32 32 PHE CD2 C 13 132.4 . . 1 . . . . . . . . 4049 1 324 . 1 1 32 32 PHE CE1 C 13 131.1 . . 1 . . . . . . . . 4049 1 325 . 1 1 32 32 PHE CE2 C 13 131.1 . . 1 . . . . . . . . 4049 1 326 . 1 1 32 32 PHE CZ C 13 130.00 . . 1 . . . . . . . . 4049 1 327 . 1 1 32 32 PHE N N 15 115.1 . . 1 . . . . . . . . 4049 1 328 . 1 1 33 33 GLY H H 1 9.28 . . 1 . . . . . . . . 4049 1 329 . 1 1 33 33 GLY HA2 H 1 4.76 . . 2 . . . . . . . . 4049 1 330 . 1 1 33 33 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4049 1 331 . 1 1 33 33 GLY CA C 13 43.3 . . 1 . . . . . . . . 4049 1 332 . 1 1 33 33 GLY N N 15 106.7 . . 1 . . . . . . . . 4049 1 333 . 1 1 34 34 GLY H H 1 8.1 . . 1 . . . . . . . . 4049 1 334 . 1 1 34 34 GLY HA2 H 1 4.85 . . 2 . . . . . . . . 4049 1 335 . 1 1 34 34 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 4049 1 336 . 1 1 34 34 GLY CA C 13 43.6 . . 1 . . . . . . . . 4049 1 337 . 1 1 34 34 GLY N N 15 105.5 . . 1 . . . . . . . . 4049 1 338 . 1 1 35 35 GLN H H 1 9.43 . . 1 . . . . . . . . 4049 1 339 . 1 1 35 35 GLN HA H 1 4.02 . . 1 . . . . . . . . 4049 1 340 . 1 1 35 35 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 4049 1 341 . 1 1 35 35 GLN HB3 H 1 1.87 . . 2 . . . . . . . . 4049 1 342 . 1 1 35 35 GLN HG2 H 1 2.43 . . 2 . . . . . . . . 4049 1 343 . 1 1 35 35 GLN HG3 H 1 2.21 . . 2 . . . . . . . . 4049 1 344 . 1 1 35 35 GLN CA C 13 58.5 . . 1 . . . . . . . . 4049 1 345 . 1 1 35 35 GLN CB C 13 28.9 . . 1 . . . . . . . . 4049 1 346 . 1 1 35 35 GLN CG C 13 34.2 . . 1 . . . . . . . . 4049 1 347 . 1 1 35 35 GLN N N 15 120.2 . . 1 . . . . . . . . 4049 1 348 . 1 1 36 36 HIS H H 1 9.61 . . 1 . . . . . . . . 4049 1 349 . 1 1 36 36 HIS HA H 1 5.29 . . 1 . . . . . . . . 4049 1 350 . 1 1 36 36 HIS HB2 H 1 3.95 . . 2 . . . . . . . . 4049 1 351 . 1 1 36 36 HIS HB3 H 1 2.98 . . 2 . . . . . . . . 4049 1 352 . 1 1 36 36 HIS CA C 13 54.3 . . 1 . . . . . . . . 4049 1 353 . 1 1 36 36 HIS CB C 13 28.7 . . 1 . . . . . . . . 4049 1 354 . 1 1 36 36 HIS N N 15 113.7 . . 1 . . . . . . . . 4049 1 355 . 1 1 37 37 CYS H H 1 7.57 . . 1 . . . . . . . . 4049 1 356 . 1 1 37 37 CYS HA H 1 4.29 . . 1 . . . . . . . . 4049 1 357 . 1 1 37 37 CYS HB2 H 1 3.76 . . 2 . . . . . . . . 4049 1 358 . 1 1 37 37 CYS HB3 H 1 3.04 . . 2 . . . . . . . . 4049 1 359 . 1 1 37 37 CYS N N 15 111.2 . . 1 . . . . . . . . 4049 1 360 . 1 1 38 38 GLU H H 1 10.55 . . 1 . . . . . . . . 4049 1 361 . 1 1 38 38 GLU HA H 1 4.22 . . 1 . . . . . . . . 4049 1 362 . 1 1 38 38 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 4049 1 363 . 1 1 38 38 GLU HB3 H 1 1.96 . . 2 . . . . . . . . 4049 1 364 . 1 1 38 38 GLU HG2 H 1 2.61 . . 1 . . . . . . . . 4049 1 365 . 1 1 38 38 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 4049 1 366 . 1 1 38 38 GLU CA C 13 56.9 . . 1 . . . . . . . . 4049 1 367 . 1 1 38 38 GLU CB C 13 29.4 . . 1 . . . . . . . . 4049 1 368 . 1 1 38 38 GLU CG C 13 35.5 . . 1 . . . . . . . . 4049 1 369 . 1 1 38 38 GLU N N 15 119.1 . . 1 . . . . . . . . 4049 1 370 . 1 1 39 39 ILE H H 1 8.79 . . 1 . . . . . . . . 4049 1 371 . 1 1 39 39 ILE HA H 1 4.26 . . 1 . . . . . . . . 4049 1 372 . 1 1 39 39 ILE HB H 1 1.52 . . 1 . . . . . . . . 4049 1 373 . 1 1 39 39 ILE HG12 H 1 1.54 . . 2 . . . . . . . . 4049 1 374 . 1 1 39 39 ILE HG13 H 1 1.12 . . 2 . . . . . . . . 4049 1 375 . 1 1 39 39 ILE HG21 H 1 0.733 . . 1 . . . . . . . . 4049 1 376 . 1 1 39 39 ILE HG22 H 1 0.733 . . 1 . . . . . . . . 4049 1 377 . 1 1 39 39 ILE HG23 H 1 0.733 . . 1 . . . . . . . . 4049 1 378 . 1 1 39 39 ILE HD11 H 1 0.85 . . 1 . . . . . . . . 4049 1 379 . 1 1 39 39 ILE HD12 H 1 0.85 . . 1 . . . . . . . . 4049 1 380 . 1 1 39 39 ILE HD13 H 1 0.85 . . 1 . . . . . . . . 4049 1 381 . 1 1 39 39 ILE CA C 13 60.1 . . 1 . . . . . . . . 4049 1 382 . 1 1 39 39 ILE CB C 13 38.6 . . 1 . . . . . . . . 4049 1 383 . 1 1 39 39 ILE CG1 C 13 27.1 . . 2 . . . . . . . . 4049 1 384 . 1 1 39 39 ILE CG2 C 13 16.6 . . 2 . . . . . . . . 4049 1 385 . 1 1 39 39 ILE CD1 C 13 11.9 . . 1 . . . . . . . . 4049 1 386 . 1 1 39 39 ILE N N 15 124.2 . . 1 . . . . . . . . 4049 1 387 . 1 1 40 40 ASP H H 1 8.5 . . 1 . . . . . . . . 4049 1 388 . 1 1 40 40 ASP HA H 1 4.51 . . 1 . . . . . . . . 4049 1 389 . 1 1 40 40 ASP HB2 H 1 2.84 . . 2 . . . . . . . . 4049 1 390 . 1 1 40 40 ASP HB3 H 1 2.54 . . 2 . . . . . . . . 4049 1 391 . 1 1 40 40 ASP CA C 13 53.00 . . 1 . . . . . . . . 4049 1 392 . 1 1 40 40 ASP CB C 13 40.7 . . 1 . . . . . . . . 4049 1 393 . 1 1 40 40 ASP N N 15 126.5 . . 1 . . . . . . . . 4049 1 394 . 1 1 41 41 LYS H H 1 8.42 . . 1 . . . . . . . . 4049 1 395 . 1 1 41 41 LYS HA H 1 4.01 . . 1 . . . . . . . . 4049 1 396 . 1 1 41 41 LYS HB2 H 1 1.83 . . 2 . . . . . . . . 4049 1 397 . 1 1 41 41 LYS HB3 H 1 1.53 . . 2 . . . . . . . . 4049 1 398 . 1 1 41 41 LYS HG2 H 1 1.32 . . 2 . . . . . . . . 4049 1 399 . 1 1 41 41 LYS HG3 H 1 1.27 . . 2 . . . . . . . . 4049 1 400 . 1 1 41 41 LYS HD2 H 1 1.52 . . 1 . . . . . . . . 4049 1 401 . 1 1 41 41 LYS HD3 H 1 1.52 . . 1 . . . . . . . . 4049 1 402 . 1 1 41 41 LYS HE2 H 1 2.78 . . 1 . . . . . . . . 4049 1 403 . 1 1 41 41 LYS HE3 H 1 2.78 . . 1 . . . . . . . . 4049 1 404 . 1 1 41 41 LYS CA C 13 57.7 . . 1 . . . . . . . . 4049 1 405 . 1 1 41 41 LYS CB C 13 31.8 . . 1 . . . . . . . . 4049 1 406 . 1 1 41 41 LYS CG C 13 23.9 . . 1 . . . . . . . . 4049 1 407 . 1 1 41 41 LYS CD C 13 28.9 . . 1 . . . . . . . . 4049 1 408 . 1 1 41 41 LYS CE C 13 41.7 . . 1 . . . . . . . . 4049 1 409 . 1 1 41 41 LYS N N 15 125.1 . . 1 . . . . . . . . 4049 1 410 . 1 1 42 42 SER H H 1 8.62 . . 1 . . . . . . . . 4049 1 411 . 1 1 42 42 SER HA H 1 4.37 . . 1 . . . . . . . . 4049 1 412 . 1 1 42 42 SER HB2 H 1 3.9 . . 2 . . . . . . . . 4049 1 413 . 1 1 42 42 SER HB3 H 1 3.77 . . 2 . . . . . . . . 4049 1 414 . 1 1 42 42 SER CA C 13 59.8 . . 1 . . . . . . . . 4049 1 415 . 1 1 42 42 SER CB C 13 64.00 . . 1 . . . . . . . . 4049 1 416 . 1 1 42 42 SER N N 15 114.3 . . 1 . . . . . . . . 4049 1 417 . 1 1 43 43 LYS H H 1 7.4 . . 1 . . . . . . . . 4049 1 418 . 1 1 43 43 LYS HA H 1 4.45 . . 1 . . . . . . . . 4049 1 419 . 1 1 43 43 LYS HB2 H 1 1.94 . . 2 . . . . . . . . 4049 1 420 . 1 1 43 43 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 4049 1 421 . 1 1 43 43 LYS HG2 H 1 1.57 . . 2 . . . . . . . . 4049 1 422 . 1 1 43 43 LYS HG3 H 1 1.5 . . 2 . . . . . . . . 4049 1 423 . 1 1 43 43 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 4049 1 424 . 1 1 43 43 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 4049 1 425 . 1 1 43 43 LYS HE2 H 1 3.09 . . 1 . . . . . . . . 4049 1 426 . 1 1 43 43 LYS HE3 H 1 3.09 . . 1 . . . . . . . . 4049 1 427 . 1 1 43 43 LYS CA C 13 56.2 . . 1 . . . . . . . . 4049 1 428 . 1 1 43 43 LYS CB C 13 33.1 . . 1 . . . . . . . . 4049 1 429 . 1 1 43 43 LYS CG C 13 24.8 . . 1 . . . . . . . . 4049 1 430 . 1 1 43 43 LYS CD C 13 28.9 . . 1 . . . . . . . . 4049 1 431 . 1 1 43 43 LYS CE C 13 42.00 . . 1 . . . . . . . . 4049 1 432 . 1 1 43 43 LYS N N 15 121.2 . . 1 . . . . . . . . 4049 1 433 . 1 1 44 44 THR HA H 1 4.58 . . 1 . . . . . . . . 4049 1 434 . 1 1 44 44 THR HB H 1 4.43 . . 1 . . . . . . . . 4049 1 435 . 1 1 44 44 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4049 1 436 . 1 1 44 44 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4049 1 437 . 1 1 44 44 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4049 1 438 . 1 1 44 44 THR CA C 13 61.6 . . 1 . . . . . . . . 4049 1 439 . 1 1 44 44 THR CB C 13 70.00 . . 1 . . . . . . . . 4049 1 440 . 1 1 44 44 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4049 1 441 . 1 1 45 45 CYS HB2 H 1 1.95 . . 1 . . . . . . . . 4049 1 442 . 1 1 45 45 CYS HB3 H 1 1.95 . . 1 . . . . . . . . 4049 1 443 . 1 1 46 46 TYR HA H 1 5.33 . . 1 . . . . . . . . 4049 1 444 . 1 1 46 46 TYR HB2 H 1 3.12 . . 2 . . . . . . . . 4049 1 445 . 1 1 46 46 TYR HB3 H 1 2.46 . . 2 . . . . . . . . 4049 1 446 . 1 1 46 46 TYR HD1 H 1 6.51 . . 1 . . . . . . . . 4049 1 447 . 1 1 46 46 TYR HD2 H 1 6.51 . . 1 . . . . . . . . 4049 1 448 . 1 1 46 46 TYR HE1 H 1 6.83 . . 1 . . . . . . . . 4049 1 449 . 1 1 46 46 TYR HE2 H 1 6.83 . . 1 . . . . . . . . 4049 1 450 . 1 1 46 46 TYR CA C 13 54.8 . . 1 . . . . . . . . 4049 1 451 . 1 1 46 46 TYR CB C 13 40.9 . . 1 . . . . . . . . 4049 1 452 . 1 1 46 46 TYR CD1 C 13 133.6 . . 1 . . . . . . . . 4049 1 453 . 1 1 46 46 TYR CD2 C 13 133.6 . . 1 . . . . . . . . 4049 1 454 . 1 1 46 46 TYR CE1 C 13 118.2 . . 1 . . . . . . . . 4049 1 455 . 1 1 46 46 TYR CE2 C 13 118.2 . . 1 . . . . . . . . 4049 1 456 . 1 1 47 47 GLU H H 1 9.29 . . 1 . . . . . . . . 4049 1 457 . 1 1 47 47 GLU HA H 1 4.76 . . 1 . . . . . . . . 4049 1 458 . 1 1 47 47 GLU HB2 H 1 2.11 . . 2 . . . . . . . . 4049 1 459 . 1 1 47 47 GLU HB3 H 1 2.02 . . 2 . . . . . . . . 4049 1 460 . 1 1 47 47 GLU HG2 H 1 2.34 . . 1 . . . . . . . . 4049 1 461 . 1 1 47 47 GLU HG3 H 1 2.27 . . 2 . . . . . . . . 4049 1 462 . 1 1 47 47 GLU CA C 13 54.3 . . 1 . . . . . . . . 4049 1 463 . 1 1 47 47 GLU CG C 13 36.2 . . 1 . . . . . . . . 4049 1 464 . 1 1 47 47 GLU N N 15 122.14 . . 1 . . . . . . . . 4049 1 465 . 1 1 48 48 GLY H H 1 9.16 . . 1 . . . . . . . . 4049 1 466 . 1 1 48 48 GLY HA2 H 1 4.18 . . 2 . . . . . . . . 4049 1 467 . 1 1 48 48 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4049 1 468 . 1 1 48 48 GLY CA C 13 46.7 . . 1 . . . . . . . . 4049 1 469 . 1 1 49 49 ASN H H 1 8.62 . . 1 . . . . . . . . 4049 1 470 . 1 1 49 49 ASN HA H 1 4.93 . . 1 . . . . . . . . 4049 1 471 . 1 1 49 49 ASN HB2 H 1 3.47 . . 2 . . . . . . . . 4049 1 472 . 1 1 49 49 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 4049 1 473 . 1 1 49 49 ASN CA C 13 51.7 . . 1 . . . . . . . . 4049 1 474 . 1 1 49 49 ASN CB C 13 37.6 . . 1 . . . . . . . . 4049 1 475 . 1 1 49 49 ASN N N 15 122.9 . . 1 . . . . . . . . 4049 1 476 . 1 1 50 50 GLY H H 1 9.21 . . 1 . . . . . . . . 4049 1 477 . 1 1 50 50 GLY HA2 H 1 4.18 . . 2 . . . . . . . . 4049 1 478 . 1 1 50 50 GLY HA3 H 1 3.64 . . 2 . . . . . . . . 4049 1 479 . 1 1 50 50 GLY CA C 13 46.7 . . 1 . . . . . . . . 4049 1 480 . 1 1 50 50 GLY N N 15 106.3 . . 1 . . . . . . . . 4049 1 481 . 1 1 51 51 HIS H H 1 8.74 . . 1 . . . . . . . . 4049 1 482 . 1 1 51 51 HIS HA H 1 4.47 . . 1 . . . . . . . . 4049 1 483 . 1 1 51 51 HIS HB2 H 1 3.53 . . 2 . . . . . . . . 4049 1 484 . 1 1 51 51 HIS HB3 H 1 2.88 . . 2 . . . . . . . . 4049 1 485 . 1 1 51 51 HIS HD2 H 1 6.43 . . 1 . . . . . . . . 4049 1 486 . 1 1 51 51 HIS HE1 H 1 8.37 . . 1 . . . . . . . . 4049 1 487 . 1 1 51 51 HIS CA C 13 57.7 . . 1 . . . . . . . . 4049 1 488 . 1 1 51 51 HIS CB C 13 28.4 . . 1 . . . . . . . . 4049 1 489 . 1 1 51 51 HIS CD2 C 13 120.3 . . 1 . . . . . . . . 4049 1 490 . 1 1 51 51 HIS CE1 C 13 135.9 . . 1 . . . . . . . . 4049 1 491 . 1 1 51 51 HIS N N 15 120.8 . . 1 . . . . . . . . 4049 1 492 . 1 1 52 52 PHE H H 1 8.92 . . 1 . . . . . . . . 4049 1 493 . 1 1 52 52 PHE HA H 1 4.56 . . 1 . . . . . . . . 4049 1 494 . 1 1 52 52 PHE HB2 H 1 3.52 . . 2 . . . . . . . . 4049 1 495 . 1 1 52 52 PHE HB3 H 1 2.94 . . 2 . . . . . . . . 4049 1 496 . 1 1 52 52 PHE HD1 H 1 7.31 . . 1 . . . . . . . . 4049 1 497 . 1 1 52 52 PHE HD2 H 1 7.31 . . 1 . . . . . . . . 4049 1 498 . 1 1 52 52 PHE HE1 H 1 7.45 . . 1 . . . . . . . . 4049 1 499 . 1 1 52 52 PHE HE2 H 1 7.45 . . 1 . . . . . . . . 4049 1 500 . 1 1 52 52 PHE HZ H 1 7.42 . . 1 . . . . . . . . 4049 1 501 . 1 1 52 52 PHE CA C 13 57.2 . . 1 . . . . . . . . 4049 1 502 . 1 1 52 52 PHE CB C 13 37.8 . . 1 . . . . . . . . 4049 1 503 . 1 1 52 52 PHE CD1 C 13 131.8 . . 1 . . . . . . . . 4049 1 504 . 1 1 52 52 PHE CD2 C 13 131.8 . . 1 . . . . . . . . 4049 1 505 . 1 1 52 52 PHE CE1 C 13 131.8 . . 1 . . . . . . . . 4049 1 506 . 1 1 52 52 PHE CE2 C 13 131.8 . . 1 . . . . . . . . 4049 1 507 . 1 1 52 52 PHE CZ C 13 130.00 . . 1 . . . . . . . . 4049 1 508 . 1 1 52 52 PHE N N 15 114.7 . . 1 . . . . . . . . 4049 1 509 . 1 1 53 53 TYR H H 1 7.46 . . 1 . . . . . . . . 4049 1 510 . 1 1 53 53 TYR HA H 1 4.54 . . 1 . . . . . . . . 4049 1 511 . 1 1 53 53 TYR HB2 H 1 3.08 . . 2 . . . . . . . . 4049 1 512 . 1 1 53 53 TYR HB3 H 1 3.29 . . 2 . . . . . . . . 4049 1 513 . 1 1 53 53 TYR HD1 H 1 7.22 . . 1 . . . . . . . . 4049 1 514 . 1 1 53 53 TYR HD2 H 1 7.22 . . 1 . . . . . . . . 4049 1 515 . 1 1 53 53 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 4049 1 516 . 1 1 53 53 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 4049 1 517 . 1 1 53 53 TYR CA C 13 59.6 . . 1 . . . . . . . . 4049 1 518 . 1 1 53 53 TYR CB C 13 38.4 . . 1 . . . . . . . . 4049 1 519 . 1 1 53 53 TYR CD1 C 13 133.4 . . 1 . . . . . . . . 4049 1 520 . 1 1 53 53 TYR CD2 C 13 133.4 . . 1 . . . . . . . . 4049 1 521 . 1 1 53 53 TYR CE1 C 13 118.2 . . 1 . . . . . . . . 4049 1 522 . 1 1 53 53 TYR CE2 C 13 118.2 . . 1 . . . . . . . . 4049 1 523 . 1 1 53 53 TYR N N 15 120.5 . . 1 . . . . . . . . 4049 1 524 . 1 1 54 54 ARG H H 1 8.97 . . 1 . . . . . . . . 4049 1 525 . 1 1 54 54 ARG HA H 1 4.34 . . 1 . . . . . . . . 4049 1 526 . 1 1 54 54 ARG HB2 H 1 2.34 . . 2 . . . . . . . . 4049 1 527 . 1 1 54 54 ARG HB3 H 1 1.95 . . 2 . . . . . . . . 4049 1 528 . 1 1 54 54 ARG HD2 H 1 3.32 . . 1 . . . . . . . . 4049 1 529 . 1 1 54 54 ARG HD3 H 1 3.32 . . 1 . . . . . . . . 4049 1 530 . 1 1 54 54 ARG CA C 13 55.1 . . 1 . . . . . . . . 4049 1 531 . 1 1 54 54 ARG CB C 13 28.3 . . 1 . . . . . . . . 4049 1 532 . 1 1 54 54 ARG CD C 13 45.2 . . 1 . . . . . . . . 4049 1 533 . 1 1 54 54 ARG N N 15 129.6 . . 1 . . . . . . . . 4049 1 534 . 1 1 55 55 GLY H H 1 9.21 . . 1 . . . . . . . . 4049 1 535 . 1 1 55 55 GLY HA2 H 1 4.31 . . 2 . . . . . . . . 4049 1 536 . 1 1 55 55 GLY HA3 H 1 3.41 . . 2 . . . . . . . . 4049 1 537 . 1 1 55 55 GLY CA C 13 44.9 . . 1 . . . . . . . . 4049 1 538 . 1 1 55 55 GLY N N 15 104.1 . . 1 . . . . . . . . 4049 1 539 . 1 1 56 56 LYS H H 1 7.81 . . 1 . . . . . . . . 4049 1 540 . 1 1 56 56 LYS HA H 1 3.45 . . 1 . . . . . . . . 4049 1 541 . 1 1 56 56 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 4049 1 542 . 1 1 56 56 LYS HB3 H 1 1.21 . . 2 . . . . . . . . 4049 1 543 . 1 1 56 56 LYS HG2 H 1 0.97 . . 2 . . . . . . . . 4049 1 544 . 1 1 56 56 LYS HG3 H 1 0.28 . . 2 . . . . . . . . 4049 1 545 . 1 1 56 56 LYS HD2 H 1 1.47 . . 1 . . . . . . . . 4049 1 546 . 1 1 56 56 LYS HD3 H 1 1.47 . . 1 . . . . . . . . 4049 1 547 . 1 1 56 56 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4049 1 548 . 1 1 56 56 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4049 1 549 . 1 1 56 56 LYS CA C 13 55.4 . . 1 . . . . . . . . 4049 1 550 . 1 1 56 56 LYS CB C 13 31.8 . . 1 . . . . . . . . 4049 1 551 . 1 1 56 56 LYS CG C 13 25.00 . . 1 . . . . . . . . 4049 1 552 . 1 1 56 56 LYS CD C 13 29.2 . . 1 . . . . . . . . 4049 1 553 . 1 1 56 56 LYS CE C 13 41.7 . . 1 . . . . . . . . 4049 1 554 . 1 1 56 56 LYS N N 15 113.9 . . 1 . . . . . . . . 4049 1 555 . 1 1 57 57 ALA H H 1 7.89 . . 1 . . . . . . . . 4049 1 556 . 1 1 57 57 ALA HA H 1 4.34 . . 1 . . . . . . . . 4049 1 557 . 1 1 57 57 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4049 1 558 . 1 1 57 57 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4049 1 559 . 1 1 57 57 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4049 1 560 . 1 1 57 57 ALA CA C 13 54.3 . . 1 . . . . . . . . 4049 1 561 . 1 1 57 57 ALA CB C 13 19.00 . . 1 . . . . . . . . 4049 1 562 . 1 1 57 57 ALA N N 15 123.9 . . 1 . . . . . . . . 4049 1 563 . 1 1 58 58 SER H H 1 8.56 . . 1 . . . . . . . . 4049 1 564 . 1 1 58 58 SER HA H 1 5.29 . . 1 . . . . . . . . 4049 1 565 . 1 1 58 58 SER HB2 H 1 4.41 . . 2 . . . . . . . . 4049 1 566 . 1 1 58 58 SER HB3 H 1 3.71 . . 2 . . . . . . . . 4049 1 567 . 1 1 58 58 SER CA C 13 59.00 . . 1 . . . . . . . . 4049 1 568 . 1 1 58 58 SER CB C 13 65.1 . . 1 . . . . . . . . 4049 1 569 . 1 1 58 58 SER N N 15 113.3 . . 1 . . . . . . . . 4049 1 570 . 1 1 59 59 THR H H 1 7.47 . . 1 . . . . . . . . 4049 1 571 . 1 1 59 59 THR HA H 1 5.46 . . 1 . . . . . . . . 4049 1 572 . 1 1 59 59 THR HB H 1 4.02 . . 1 . . . . . . . . 4049 1 573 . 1 1 59 59 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4049 1 574 . 1 1 59 59 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4049 1 575 . 1 1 59 59 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4049 1 576 . 1 1 59 59 THR CA C 13 59.00 . . 1 . . . . . . . . 4049 1 577 . 1 1 59 59 THR CB C 13 72.9 . . 1 . . . . . . . . 4049 1 578 . 1 1 59 59 THR CG2 C 13 21.1 . . 1 . . . . . . . . 4049 1 579 . 1 1 59 59 THR N N 15 111.7 . . 1 . . . . . . . . 4049 1 580 . 1 1 60 60 ASP H H 1 8.81 . . 1 . . . . . . . . 4049 1 581 . 1 1 60 60 ASP HA H 1 5.02 . . 1 . . . . . . . . 4049 1 582 . 1 1 60 60 ASP HB2 H 1 3.48 . . 2 . . . . . . . . 4049 1 583 . 1 1 60 60 ASP HB3 H 1 2.42 . . 2 . . . . . . . . 4049 1 584 . 1 1 60 60 ASP CA C 13 52.7 . . 1 . . . . . . . . 4049 1 585 . 1 1 60 60 ASP CB C 13 41.7 . . 1 . . . . . . . . 4049 1 586 . 1 1 60 60 ASP N N 15 120.1 . . 1 . . . . . . . . 4049 1 587 . 1 1 61 61 THR H H 1 7.62 . . 1 . . . . . . . . 4049 1 588 . 1 1 61 61 THR HA H 1 4.07 . . 1 . . . . . . . . 4049 1 589 . 1 1 61 61 THR HB H 1 4.42 . . 1 . . . . . . . . 4049 1 590 . 1 1 61 61 THR HG21 H 1 1.19 . . 1 . . . . . . . . 4049 1 591 . 1 1 61 61 THR HG22 H 1 1.19 . . 1 . . . . . . . . 4049 1 592 . 1 1 61 61 THR HG23 H 1 1.19 . . 1 . . . . . . . . 4049 1 593 . 1 1 61 61 THR CA C 13 64.5 . . 1 . . . . . . . . 4049 1 594 . 1 1 61 61 THR CB C 13 68.7 . . 1 . . . . . . . . 4049 1 595 . 1 1 61 61 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4049 1 596 . 1 1 61 61 THR N N 15 106.1 . . 1 . . . . . . . . 4049 1 597 . 1 1 62 62 MET H H 1 8.42 . . 1 . . . . . . . . 4049 1 598 . 1 1 62 62 MET HA H 1 4.7 . . 1 . . . . . . . . 4049 1 599 . 1 1 62 62 MET HB2 H 1 2.33 . . 2 . . . . . . . . 4049 1 600 . 1 1 62 62 MET HB3 H 1 2.13 . . 2 . . . . . . . . 4049 1 601 . 1 1 62 62 MET HG2 H 1 2.57 . . 2 . . . . . . . . 4049 1 602 . 1 1 62 62 MET HG3 H 1 2.52 . . 2 . . . . . . . . 4049 1 603 . 1 1 62 62 MET HE1 H 1 2.1 . . 1 . . . . . . . . 4049 1 604 . 1 1 62 62 MET HE2 H 1 2.1 . . 1 . . . . . . . . 4049 1 605 . 1 1 62 62 MET HE3 H 1 2.1 . . 1 . . . . . . . . 4049 1 606 . 1 1 62 62 MET CA C 13 54.3 . . 1 . . . . . . . . 4049 1 607 . 1 1 62 62 MET CB C 13 32.6 . . 1 . . . . . . . . 4049 1 608 . 1 1 62 62 MET CG C 13 32.6 . . 1 . . . . . . . . 4049 1 609 . 1 1 62 62 MET CE C 13 16.9 . . 1 . . . . . . . . 4049 1 610 . 1 1 62 62 MET N N 15 120.2 . . 1 . . . . . . . . 4049 1 611 . 1 1 63 63 GLY H H 1 8.24 . . 1 . . . . . . . . 4049 1 612 . 1 1 63 63 GLY HA2 H 1 4.25 . . 2 . . . . . . . . 4049 1 613 . 1 1 63 63 GLY HA3 H 1 3.67 . . 2 . . . . . . . . 4049 1 614 . 1 1 63 63 GLY CA C 13 45.2 . . 1 . . . . . . . . 4049 1 615 . 1 1 63 63 GLY N N 15 108.5 . . 1 . . . . . . . . 4049 1 616 . 1 1 64 64 ARG H H 1 8.99 . . 1 . . . . . . . . 4049 1 617 . 1 1 64 64 ARG HA H 1 4.53 . . 1 . . . . . . . . 4049 1 618 . 1 1 64 64 ARG HB2 H 1 2.06 . . 1 . . . . . . . . 4049 1 619 . 1 1 64 64 ARG HB3 H 1 2.06 . . 1 . . . . . . . . 4049 1 620 . 1 1 64 64 ARG HG2 H 1 1.75 . . 2 . . . . . . . . 4049 1 621 . 1 1 64 64 ARG HG3 H 1 1.62 . . 2 . . . . . . . . 4049 1 622 . 1 1 64 64 ARG HD2 H 1 3.4 . . 2 . . . . . . . . 4049 1 623 . 1 1 64 64 ARG HD3 H 1 3.00 . . 2 . . . . . . . . 4049 1 624 . 1 1 64 64 ARG CA C 13 54.3 . . 1 . . . . . . . . 4049 1 625 . 1 1 64 64 ARG CG C 13 27.6 . . 1 . . . . . . . . 4049 1 626 . 1 1 64 64 ARG CD C 13 42.8 . . 1 . . . . . . . . 4049 1 627 . 1 1 64 64 ARG N N 15 124.00 . . 1 . . . . . . . . 4049 1 628 . 1 1 65 65 PRO HA H 1 4.67 . . 1 . . . . . . . . 4049 1 629 . 1 1 65 65 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4049 1 630 . 1 1 65 65 PRO HB3 H 1 1.93 . . 2 . . . . . . . . 4049 1 631 . 1 1 65 65 PRO HG2 H 1 2.24 . . 2 . . . . . . . . 4049 1 632 . 1 1 65 65 PRO HG3 H 1 2.13 . . 2 . . . . . . . . 4049 1 633 . 1 1 65 65 PRO HD2 H 1 3.89 . . 2 . . . . . . . . 4049 1 634 . 1 1 65 65 PRO HD3 H 1 3.71 . . 2 . . . . . . . . 4049 1 635 . 1 1 65 65 PRO CA C 13 61.9 . . 1 . . . . . . . . 4049 1 636 . 1 1 65 65 PRO CB C 13 32.00 . . 1 . . . . . . . . 4049 1 637 . 1 1 65 65 PRO CG C 13 27.6 . . 1 . . . . . . . . 4049 1 638 . 1 1 65 65 PRO CD C 13 49.8 . . 1 . . . . . . . . 4049 1 639 . 1 1 66 66 CYS H H 1 8.07 . . 1 . . . . . . . . 4049 1 640 . 1 1 66 66 CYS HA H 1 4.51 . . 1 . . . . . . . . 4049 1 641 . 1 1 66 66 CYS HB2 H 1 3.15 . . 2 . . . . . . . . 4049 1 642 . 1 1 66 66 CYS HB3 H 1 2.54 . . 2 . . . . . . . . 4049 1 643 . 1 1 66 66 CYS N N 15 119.8 . . 1 . . . . . . . . 4049 1 644 . 1 1 67 67 LEU H H 1 9.52 . . 1 . . . . . . . . 4049 1 645 . 1 1 67 67 LEU HA H 1 4.58 . . 1 . . . . . . . . 4049 1 646 . 1 1 67 67 LEU HB2 H 1 1.46 . . 2 . . . . . . . . 4049 1 647 . 1 1 67 67 LEU HB3 H 1 1.08 . . 2 . . . . . . . . 4049 1 648 . 1 1 67 67 LEU HG H 1 1.74 . . 1 . . . . . . . . 4049 1 649 . 1 1 67 67 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4049 1 650 . 1 1 67 67 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4049 1 651 . 1 1 67 67 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4049 1 652 . 1 1 67 67 LEU HD21 H 1 0.61 . . 2 . . . . . . . . 4049 1 653 . 1 1 67 67 LEU HD22 H 1 0.61 . . 2 . . . . . . . . 4049 1 654 . 1 1 67 67 LEU HD23 H 1 0.61 . . 2 . . . . . . . . 4049 1 655 . 1 1 67 67 LEU CA C 13 52.5 . . 1 . . . . . . . . 4049 1 656 . 1 1 67 67 LEU CB C 13 42.5 . . 1 . . . . . . . . 4049 1 657 . 1 1 67 67 LEU CG C 13 26.8 . . 1 . . . . . . . . 4049 1 658 . 1 1 67 67 LEU CD1 C 13 23.2 . . 2 . . . . . . . . 4049 1 659 . 1 1 67 67 LEU CD2 C 13 26.00 . . 2 . . . . . . . . 4049 1 660 . 1 1 67 67 LEU N N 15 124.6 . . 1 . . . . . . . . 4049 1 661 . 1 1 68 68 PRO HA H 1 4.44 . . 1 . . . . . . . . 4049 1 662 . 1 1 68 68 PRO HB2 H 1 2.26 . . 2 . . . . . . . . 4049 1 663 . 1 1 68 68 PRO HB3 H 1 1.88 . . 2 . . . . . . . . 4049 1 664 . 1 1 68 68 PRO HG2 H 1 2.19 . . 2 . . . . . . . . 4049 1 665 . 1 1 68 68 PRO HG3 H 1 2.04 . . 2 . . . . . . . . 4049 1 666 . 1 1 68 68 PRO HD2 H 1 4.11 . . 2 . . . . . . . . 4049 1 667 . 1 1 68 68 PRO HD3 H 1 3.52 . . 2 . . . . . . . . 4049 1 668 . 1 1 68 68 PRO CA C 13 61.6 . . 1 . . . . . . . . 4049 1 669 . 1 1 68 68 PRO CB C 13 31.8 . . 1 . . . . . . . . 4049 1 670 . 1 1 68 68 PRO CG C 13 27.9 . . 1 . . . . . . . . 4049 1 671 . 1 1 68 68 PRO CD C 13 50.1 . . 1 . . . . . . . . 4049 1 672 . 1 1 69 69 TRP H H 1 8.69 . . 1 . . . . . . . . 4049 1 673 . 1 1 69 69 TRP HA H 1 4.65 . . 1 . . . . . . . . 4049 1 674 . 1 1 69 69 TRP HB2 H 1 3.89 . . 2 . . . . . . . . 4049 1 675 . 1 1 69 69 TRP HB3 H 1 3.27 . . 2 . . . . . . . . 4049 1 676 . 1 1 69 69 TRP HD1 H 1 7.33 . . 1 . . . . . . . . 4049 1 677 . 1 1 69 69 TRP HE1 H 1 11.67 . . 1 . . . . . . . . 4049 1 678 . 1 1 69 69 TRP HE3 H 1 7.81 . . 1 . . . . . . . . 4049 1 679 . 1 1 69 69 TRP HZ2 H 1 7.44 . . 3 . . . . . . . . 4049 1 680 . 1 1 69 69 TRP HZ3 H 1 7.15 . . 3 . . . . . . . . 4049 1 681 . 1 1 69 69 TRP HH2 H 1 5.68 . . 1 . . . . . . . . 4049 1 682 . 1 1 69 69 TRP CA C 13 59.00 . . 1 . . . . . . . . 4049 1 683 . 1 1 69 69 TRP CB C 13 27.6 . . 1 . . . . . . . . 4049 1 684 . 1 1 69 69 TRP CD1 C 13 129.7 . . 1 . . . . . . . . 4049 1 685 . 1 1 69 69 TRP CE3 C 13 120.00 . . 1 . . . . . . . . 4049 1 686 . 1 1 69 69 TRP CZ2 C 13 114.8 . . 1 . . . . . . . . 4049 1 687 . 1 1 69 69 TRP CZ3 C 13 123.4 . . 1 . . . . . . . . 4049 1 688 . 1 1 69 69 TRP CH2 C 13 123.9 . . 1 . . . . . . . . 4049 1 689 . 1 1 69 69 TRP N N 15 121.3 . . 1 . . . . . . . . 4049 1 690 . 1 1 69 69 TRP NE1 N 15 131.3 . . 1 . . . . . . . . 4049 1 691 . 1 1 70 70 ASN H H 1 8.23 . . 1 . . . . . . . . 4049 1 692 . 1 1 70 70 ASN HA H 1 4.65 . . 1 . . . . . . . . 4049 1 693 . 1 1 70 70 ASN HB2 H 1 3.14 . . 2 . . . . . . . . 4049 1 694 . 1 1 70 70 ASN HB3 H 1 2.05 . . 2 . . . . . . . . 4049 1 695 . 1 1 70 70 ASN CA C 13 51.2 . . 1 . . . . . . . . 4049 1 696 . 1 1 70 70 ASN CB C 13 38.1 . . 1 . . . . . . . . 4049 1 697 . 1 1 70 70 ASN N N 15 112.6 . . 1 . . . . . . . . 4049 1 698 . 1 1 71 71 SER H H 1 7.54 . . 1 . . . . . . . . 4049 1 699 . 1 1 71 71 SER HA H 1 4.26 . . 1 . . . . . . . . 4049 1 700 . 1 1 71 71 SER HB2 H 1 4.27 . . 2 . . . . . . . . 4049 1 701 . 1 1 71 71 SER HB3 H 1 3.97 . . 2 . . . . . . . . 4049 1 702 . 1 1 71 71 SER CA C 13 58.3 . . 1 . . . . . . . . 4049 1 703 . 1 1 71 71 SER CB C 13 65.1 . . 1 . . . . . . . . 4049 1 704 . 1 1 71 71 SER N N 15 114.5 . . 1 . . . . . . . . 4049 1 705 . 1 1 72 72 ALA H H 1 8.84 . . 1 . . . . . . . . 4049 1 706 . 1 1 72 72 ALA HA H 1 3.91 . . 1 . . . . . . . . 4049 1 707 . 1 1 72 72 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4049 1 708 . 1 1 72 72 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4049 1 709 . 1 1 72 72 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4049 1 710 . 1 1 72 72 ALA CA C 13 55.6 . . 1 . . . . . . . . 4049 1 711 . 1 1 72 72 ALA CB C 13 17.9 . . 1 . . . . . . . . 4049 1 712 . 1 1 72 72 ALA N N 15 124.2 . . 1 . . . . . . . . 4049 1 713 . 1 1 73 73 THR H H 1 8.08 . . 1 . . . . . . . . 4049 1 714 . 1 1 73 73 THR HA H 1 4.01 . . 1 . . . . . . . . 4049 1 715 . 1 1 73 73 THR HB H 1 3.95 . . 1 . . . . . . . . 4049 1 716 . 1 1 73 73 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4049 1 717 . 1 1 73 73 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4049 1 718 . 1 1 73 73 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4049 1 719 . 1 1 73 73 THR CA C 13 65.1 . . 1 . . . . . . . . 4049 1 720 . 1 1 73 73 THR CB C 13 68.5 . . 1 . . . . . . . . 4049 1 721 . 1 1 73 73 THR CG2 C 13 22.1 . . 1 . . . . . . . . 4049 1 722 . 1 1 73 73 THR N N 15 108.3 . . 1 . . . . . . . . 4049 1 723 . 1 1 74 74 VAL H H 1 7.09 . . 1 . . . . . . . . 4049 1 724 . 1 1 74 74 VAL HA H 1 3.28 . . 1 . . . . . . . . 4049 1 725 . 1 1 74 74 VAL HB H 1 2.06 . . 1 . . . . . . . . 4049 1 726 . 1 1 74 74 VAL HG11 H 1 1.48 . . 2 . . . . . . . . 4049 1 727 . 1 1 74 74 VAL HG12 H 1 1.48 . . 2 . . . . . . . . 4049 1 728 . 1 1 74 74 VAL HG13 H 1 1.48 . . 2 . . . . . . . . 4049 1 729 . 1 1 74 74 VAL HG21 H 1 0.69 . . 2 . . . . . . . . 4049 1 730 . 1 1 74 74 VAL HG22 H 1 0.69 . . 2 . . . . . . . . 4049 1 731 . 1 1 74 74 VAL HG23 H 1 0.69 . . 2 . . . . . . . . 4049 1 732 . 1 1 74 74 VAL CA C 13 66.4 . . 1 . . . . . . . . 4049 1 733 . 1 1 74 74 VAL CB C 13 31.3 . . 1 . . . . . . . . 4049 1 734 . 1 1 74 74 VAL CG1 C 13 23.9 . . 2 . . . . . . . . 4049 1 735 . 1 1 74 74 VAL CG2 C 13 26.3 . . 2 . . . . . . . . 4049 1 736 . 1 1 74 74 VAL N N 15 124.4 . . 1 . . . . . . . . 4049 1 737 . 1 1 75 75 LEU H H 1 8.06 . . 1 . . . . . . . . 4049 1 738 . 1 1 75 75 LEU HA H 1 3.55 . . 1 . . . . . . . . 4049 1 739 . 1 1 75 75 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 4049 1 740 . 1 1 75 75 LEU HB3 H 1 1.07 . . 2 . . . . . . . . 4049 1 741 . 1 1 75 75 LEU HG H 1 1.51 . . 1 . . . . . . . . 4049 1 742 . 1 1 75 75 LEU HD11 H 1 0.56 . . 2 . . . . . . . . 4049 1 743 . 1 1 75 75 LEU HD12 H 1 0.56 . . 2 . . . . . . . . 4049 1 744 . 1 1 75 75 LEU HD13 H 1 0.56 . . 2 . . . . . . . . 4049 1 745 . 1 1 75 75 LEU HD21 H 1 0.29 . . 2 . . . . . . . . 4049 1 746 . 1 1 75 75 LEU HD22 H 1 0.29 . . 2 . . . . . . . . 4049 1 747 . 1 1 75 75 LEU HD23 H 1 0.29 . . 2 . . . . . . . . 4049 1 748 . 1 1 75 75 LEU CA C 13 56.7 . . 1 . . . . . . . . 4049 1 749 . 1 1 75 75 LEU CB C 13 41.2 . . 1 . . . . . . . . 4049 1 750 . 1 1 75 75 LEU CG C 13 26.1 . . 1 . . . . . . . . 4049 1 751 . 1 1 75 75 LEU CD1 C 13 25.5 . . 2 . . . . . . . . 4049 1 752 . 1 1 75 75 LEU CD2 C 13 22.6 . . 2 . . . . . . . . 4049 1 753 . 1 1 75 75 LEU N N 15 118.2 . . 1 . . . . . . . . 4049 1 754 . 1 1 76 76 GLN H H 1 6.65 . . 1 . . . . . . . . 4049 1 755 . 1 1 76 76 GLN HA H 1 4.31 . . 1 . . . . . . . . 4049 1 756 . 1 1 76 76 GLN HB2 H 1 2.32 . . 2 . . . . . . . . 4049 1 757 . 1 1 76 76 GLN HB3 H 1 1.95 . . 2 . . . . . . . . 4049 1 758 . 1 1 76 76 GLN HG2 H 1 2.44 . . 2 . . . . . . . . 4049 1 759 . 1 1 76 76 GLN HG3 H 1 2.32 . . 2 . . . . . . . . 4049 1 760 . 1 1 76 76 GLN CA C 13 55.1 . . 1 . . . . . . . . 4049 1 761 . 1 1 76 76 GLN CB C 13 28.7 . . 1 . . . . . . . . 4049 1 762 . 1 1 76 76 GLN CG C 13 33.6 . . 1 . . . . . . . . 4049 1 763 . 1 1 76 76 GLN N N 15 112.6 . . 1 . . . . . . . . 4049 1 764 . 1 1 77 77 GLN H H 1 8.06 . . 1 . . . . . . . . 4049 1 765 . 1 1 77 77 GLN HA H 1 4.52 . . 1 . . . . . . . . 4049 1 766 . 1 1 77 77 GLN HB2 H 1 2.58 . . 2 . . . . . . . . 4049 1 767 . 1 1 77 77 GLN HB3 H 1 2.18 . . 2 . . . . . . . . 4049 1 768 . 1 1 77 77 GLN HG2 H 1 2.45 . . 2 . . . . . . . . 4049 1 769 . 1 1 77 77 GLN HG3 H 1 1.14 . . 2 . . . . . . . . 4049 1 770 . 1 1 77 77 GLN HE21 H 1 7.15 . . 2 . . . . . . . . 4049 1 771 . 1 1 77 77 GLN HE22 H 1 6.99 . . 2 . . . . . . . . 4049 1 772 . 1 1 77 77 GLN CA C 13 52.7 . . 1 . . . . . . . . 4049 1 773 . 1 1 77 77 GLN CB C 13 28.7 . . 1 . . . . . . . . 4049 1 774 . 1 1 77 77 GLN CG C 13 32.8 . . 1 . . . . . . . . 4049 1 775 . 1 1 77 77 GLN N N 15 118.3 . . 1 . . . . . . . . 4049 1 776 . 1 1 77 77 GLN NE2 N 15 114.6 . . 1 . . . . . . . . 4049 1 777 . 1 1 78 78 THR H H 1 8.22 . . 1 . . . . . . . . 4049 1 778 . 1 1 78 78 THR HA H 1 3.89 . . 1 . . . . . . . . 4049 1 779 . 1 1 78 78 THR HB H 1 3.87 . . 1 . . . . . . . . 4049 1 780 . 1 1 78 78 THR HG21 H 1 0.67 . . 1 . . . . . . . . 4049 1 781 . 1 1 78 78 THR HG22 H 1 0.67 . . 1 . . . . . . . . 4049 1 782 . 1 1 78 78 THR HG23 H 1 0.67 . . 1 . . . . . . . . 4049 1 783 . 1 1 78 78 THR CA C 13 66.4 . . 1 . . . . . . . . 4049 1 784 . 1 1 78 78 THR CB C 13 68.9 . . 1 . . . . . . . . 4049 1 785 . 1 1 78 78 THR CG2 C 13 21.9 . . 1 . . . . . . . . 4049 1 786 . 1 1 78 78 THR N N 15 112.9 . . 1 . . . . . . . . 4049 1 787 . 1 1 79 79 TYR H H 1 7.86 . . 1 . . . . . . . . 4049 1 788 . 1 1 79 79 TYR HA H 1 4.36 . . 1 . . . . . . . . 4049 1 789 . 1 1 79 79 TYR HB2 H 1 3.58 . . 2 . . . . . . . . 4049 1 790 . 1 1 79 79 TYR HB3 H 1 2.88 . . 2 . . . . . . . . 4049 1 791 . 1 1 79 79 TYR HD1 H 1 7.1 . . 1 . . . . . . . . 4049 1 792 . 1 1 79 79 TYR HD2 H 1 7.1 . . 1 . . . . . . . . 4049 1 793 . 1 1 79 79 TYR HE1 H 1 6.85 . . 1 . . . . . . . . 4049 1 794 . 1 1 79 79 TYR HE2 H 1 6.85 . . 1 . . . . . . . . 4049 1 795 . 1 1 79 79 TYR CA C 13 59.6 . . 1 . . . . . . . . 4049 1 796 . 1 1 79 79 TYR CB C 13 39.9 . . 1 . . . . . . . . 4049 1 797 . 1 1 79 79 TYR CD1 C 13 132.00 . . 1 . . . . . . . . 4049 1 798 . 1 1 79 79 TYR CD2 C 13 132.00 . . 1 . . . . . . . . 4049 1 799 . 1 1 79 79 TYR CE1 C 13 118.7 . . 1 . . . . . . . . 4049 1 800 . 1 1 79 79 TYR CE2 C 13 118.7 . . 1 . . . . . . . . 4049 1 801 . 1 1 79 79 TYR N N 15 117.1 . . 1 . . . . . . . . 4049 1 802 . 1 1 80 80 HIS H H 1 5.82 . . 1 . . . . . . . . 4049 1 803 . 1 1 80 80 HIS HA H 1 5.25 . . 1 . . . . . . . . 4049 1 804 . 1 1 80 80 HIS HB2 H 1 3.77 . . 2 . . . . . . . . 4049 1 805 . 1 1 80 80 HIS HB3 H 1 3.21 . . 2 . . . . . . . . 4049 1 806 . 1 1 80 80 HIS HD2 H 1 7.4 . . 1 . . . . . . . . 4049 1 807 . 1 1 80 80 HIS HE1 H 1 7.42 . . 1 . . . . . . . . 4049 1 808 . 1 1 80 80 HIS CA C 13 54.3 . . 1 . . . . . . . . 4049 1 809 . 1 1 80 80 HIS CB C 13 33.4 . . 1 . . . . . . . . 4049 1 810 . 1 1 80 80 HIS CD2 C 13 121.3 . . 1 . . . . . . . . 4049 1 811 . 1 1 80 80 HIS CE1 C 13 138.1 . . 1 . . . . . . . . 4049 1 812 . 1 1 80 80 HIS N N 15 110.2 . . 1 . . . . . . . . 4049 1 813 . 1 1 81 81 ALA H H 1 8.02 . . 1 . . . . . . . . 4049 1 814 . 1 1 81 81 ALA HA H 1 4.01 . . 1 . . . . . . . . 4049 1 815 . 1 1 81 81 ALA HB1 H 1 1.2 . . 1 . . . . . . . . 4049 1 816 . 1 1 81 81 ALA HB2 H 1 1.2 . . 1 . . . . . . . . 4049 1 817 . 1 1 81 81 ALA HB3 H 1 1.2 . . 1 . . . . . . . . 4049 1 818 . 1 1 81 81 ALA CA C 13 53.00 . . 1 . . . . . . . . 4049 1 819 . 1 1 81 81 ALA CB C 13 19.5 . . 1 . . . . . . . . 4049 1 820 . 1 1 81 81 ALA N N 15 115.6 . . 1 . . . . . . . . 4049 1 821 . 1 1 82 82 HIS H H 1 10.47 . . 1 . . . . . . . . 4049 1 822 . 1 1 82 82 HIS HA H 1 5.23 . . 1 . . . . . . . . 4049 1 823 . 1 1 82 82 HIS HB2 H 1 3.71 . . 2 . . . . . . . . 4049 1 824 . 1 1 82 82 HIS HB3 H 1 3.33 . . 2 . . . . . . . . 4049 1 825 . 1 1 82 82 HIS HD2 H 1 6.94 . . 1 . . . . . . . . 4049 1 826 . 1 1 82 82 HIS HE1 H 1 8.65 . . 1 . . . . . . . . 4049 1 827 . 1 1 82 82 HIS CA C 13 53.00 . . 1 . . . . . . . . 4049 1 828 . 1 1 82 82 HIS CB C 13 28.7 . . 1 . . . . . . . . 4049 1 829 . 1 1 82 82 HIS CD2 C 13 117.1 . . 1 . . . . . . . . 4049 1 830 . 1 1 82 82 HIS CE1 C 13 136.3 . . 1 . . . . . . . . 4049 1 831 . 1 1 82 82 HIS N N 15 116.8 . . 1 . . . . . . . . 4049 1 832 . 1 1 83 83 ARG H H 1 7.07 . . 1 . . . . . . . . 4049 1 833 . 1 1 83 83 ARG HA H 1 4.3 . . 1 . . . . . . . . 4049 1 834 . 1 1 83 83 ARG HB2 H 1 2.51 . . 2 . . . . . . . . 4049 1 835 . 1 1 83 83 ARG HB3 H 1 1.45 . . 2 . . . . . . . . 4049 1 836 . 1 1 83 83 ARG HG2 H 1 1.43 . . 2 . . . . . . . . 4049 1 837 . 1 1 83 83 ARG HG3 H 1 0.65 . . 2 . . . . . . . . 4049 1 838 . 1 1 83 83 ARG HD2 H 1 3.85 . . 2 . . . . . . . . 4049 1 839 . 1 1 83 83 ARG HD3 H 1 2.87 . . 2 . . . . . . . . 4049 1 840 . 1 1 83 83 ARG CA C 13 56.4 . . 1 . . . . . . . . 4049 1 841 . 1 1 83 83 ARG CB C 13 33.6 . . 1 . . . . . . . . 4049 1 842 . 1 1 83 83 ARG CG C 13 28.1 . . 1 . . . . . . . . 4049 1 843 . 1 1 83 83 ARG CD C 13 43.8 . . 1 . . . . . . . . 4049 1 844 . 1 1 83 83 ARG N N 15 120.5 . . 1 . . . . . . . . 4049 1 845 . 1 1 84 84 SER H H 1 9.3 . . 1 . . . . . . . . 4049 1 846 . 1 1 84 84 SER HA H 1 4.28 . . 1 . . . . . . . . 4049 1 847 . 1 1 84 84 SER HB2 H 1 4.03 . . 1 . . . . . . . . 4049 1 848 . 1 1 84 84 SER HB3 H 1 4.03 . . 1 . . . . . . . . 4049 1 849 . 1 1 84 84 SER CA C 13 61.1 . . 1 . . . . . . . . 4049 1 850 . 1 1 84 84 SER CB C 13 62.4 . . 1 . . . . . . . . 4049 1 851 . 1 1 84 84 SER N N 15 118.8 . . 1 . . . . . . . . 4049 1 852 . 1 1 85 85 ASP H H 1 8.05 . . 1 . . . . . . . . 4049 1 853 . 1 1 85 85 ASP HA H 1 4.88 . . 1 . . . . . . . . 4049 1 854 . 1 1 85 85 ASP HB2 H 1 3.18 . . 2 . . . . . . . . 4049 1 855 . 1 1 85 85 ASP HB3 H 1 2.51 . . 2 . . . . . . . . 4049 1 856 . 1 1 85 85 ASP CA C 13 51.9 . . 1 . . . . . . . . 4049 1 857 . 1 1 85 85 ASP CB C 13 39.7 . . 1 . . . . . . . . 4049 1 858 . 1 1 85 85 ASP N N 15 118.2 . . 1 . . . . . . . . 4049 1 859 . 1 1 86 86 ALA H H 1 7.39 . . 1 . . . . . . . . 4049 1 860 . 1 1 86 86 ALA HA H 1 3.64 . . 1 . . . . . . . . 4049 1 861 . 1 1 86 86 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 4049 1 862 . 1 1 86 86 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 4049 1 863 . 1 1 86 86 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 4049 1 864 . 1 1 86 86 ALA CA C 13 56.7 . . 1 . . . . . . . . 4049 1 865 . 1 1 86 86 ALA CB C 13 19.3 . . 1 . . . . . . . . 4049 1 866 . 1 1 86 86 ALA N N 15 119.8 . . 1 . . . . . . . . 4049 1 867 . 1 1 87 87 LEU H H 1 8.49 . . 1 . . . . . . . . 4049 1 868 . 1 1 87 87 LEU HA H 1 4.18 . . 1 . . . . . . . . 4049 1 869 . 1 1 87 87 LEU HB2 H 1 1.73 . . 2 . . . . . . . . 4049 1 870 . 1 1 87 87 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 4049 1 871 . 1 1 87 87 LEU HG H 1 1.65 . . 1 . . . . . . . . 4049 1 872 . 1 1 87 87 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4049 1 873 . 1 1 87 87 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4049 1 874 . 1 1 87 87 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4049 1 875 . 1 1 87 87 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4049 1 876 . 1 1 87 87 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4049 1 877 . 1 1 87 87 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4049 1 878 . 1 1 87 87 LEU CA C 13 58.00 . . 1 . . . . . . . . 4049 1 879 . 1 1 87 87 LEU CB C 13 40.9 . . 1 . . . . . . . . 4049 1 880 . 1 1 87 87 LEU CG C 13 26.8 . . 1 . . . . . . . . 4049 1 881 . 1 1 87 87 LEU CD1 C 13 24.2 . . 1 . . . . . . . . 4049 1 882 . 1 1 87 87 LEU CD2 C 13 24.2 . . 1 . . . . . . . . 4049 1 883 . 1 1 87 87 LEU N N 15 116.5 . . 1 . . . . . . . . 4049 1 884 . 1 1 88 88 GLN H H 1 7.98 . . 1 . . . . . . . . 4049 1 885 . 1 1 88 88 GLN HA H 1 4.07 . . 1 . . . . . . . . 4049 1 886 . 1 1 88 88 GLN HB2 H 1 2.23 . . 2 . . . . . . . . 4049 1 887 . 1 1 88 88 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 4049 1 888 . 1 1 88 88 GLN HG2 H 1 2.56 . . 2 . . . . . . . . 4049 1 889 . 1 1 88 88 GLN HG3 H 1 2.44 . . 2 . . . . . . . . 4049 1 890 . 1 1 88 88 GLN CA C 13 58.8 . . 1 . . . . . . . . 4049 1 891 . 1 1 88 88 GLN CB C 13 27.9 . . 1 . . . . . . . . 4049 1 892 . 1 1 88 88 GLN CG C 13 34.2 . . 1 . . . . . . . . 4049 1 893 . 1 1 88 88 GLN N N 15 119.3 . . 1 . . . . . . . . 4049 1 894 . 1 1 89 89 LEU H H 1 7.47 . . 1 . . . . . . . . 4049 1 895 . 1 1 89 89 LEU HA H 1 4.24 . . 1 . . . . . . . . 4049 1 896 . 1 1 89 89 LEU HB2 H 1 1.57 . . 2 . . . . . . . . 4049 1 897 . 1 1 89 89 LEU HB3 H 1 1.26 . . 2 . . . . . . . . 4049 1 898 . 1 1 89 89 LEU HG H 1 1.81 . . 1 . . . . . . . . 4049 1 899 . 1 1 89 89 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 4049 1 900 . 1 1 89 89 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 4049 1 901 . 1 1 89 89 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 4049 1 902 . 1 1 89 89 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4049 1 903 . 1 1 89 89 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4049 1 904 . 1 1 89 89 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4049 1 905 . 1 1 89 89 LEU CA C 13 54.1 . . 1 . . . . . . . . 4049 1 906 . 1 1 89 89 LEU CB C 13 43.6 . . 1 . . . . . . . . 4049 1 907 . 1 1 89 89 LEU CG C 13 26.1 . . 1 . . . . . . . . 4049 1 908 . 1 1 89 89 LEU CD1 C 13 21.6 . . 2 . . . . . . . . 4049 1 909 . 1 1 89 89 LEU CD2 C 13 24.7 . . 2 . . . . . . . . 4049 1 910 . 1 1 89 89 LEU N N 15 115.7 . . 1 . . . . . . . . 4049 1 911 . 1 1 90 90 GLY H H 1 7.65 . . 1 . . . . . . . . 4049 1 912 . 1 1 90 90 GLY HA2 H 1 3.88 . . 2 . . . . . . . . 4049 1 913 . 1 1 90 90 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 4049 1 914 . 1 1 90 90 GLY CA C 13 45.9 . . 1 . . . . . . . . 4049 1 915 . 1 1 90 90 GLY N N 15 106.1 . . 1 . . . . . . . . 4049 1 916 . 1 1 91 91 LEU H H 1 8.14 . . 1 . . . . . . . . 4049 1 917 . 1 1 91 91 LEU HA H 1 3.6 . . 1 . . . . . . . . 4049 1 918 . 1 1 91 91 LEU HB2 H 1 1.59 . . 2 . . . . . . . . 4049 1 919 . 1 1 91 91 LEU HB3 H 1 0.41 . . 2 . . . . . . . . 4049 1 920 . 1 1 91 91 LEU HG H 1 1.1 . . 1 . . . . . . . . 4049 1 921 . 1 1 91 91 LEU HD11 H 1 0.51 . . 2 . . . . . . . . 4049 1 922 . 1 1 91 91 LEU HD12 H 1 0.51 . . 2 . . . . . . . . 4049 1 923 . 1 1 91 91 LEU HD13 H 1 0.51 . . 2 . . . . . . . . 4049 1 924 . 1 1 91 91 LEU HD21 H 1 -1.03 . . 2 . . . . . . . . 4049 1 925 . 1 1 91 91 LEU HD22 H 1 -1.03 . . 2 . . . . . . . . 4049 1 926 . 1 1 91 91 LEU HD23 H 1 -1.03 . . 2 . . . . . . . . 4049 1 927 . 1 1 91 91 LEU CA C 13 52.7 . . 1 . . . . . . . . 4049 1 928 . 1 1 91 91 LEU CB C 13 40.2 . . 1 . . . . . . . . 4049 1 929 . 1 1 91 91 LEU CG C 13 25.3 . . 1 . . . . . . . . 4049 1 930 . 1 1 91 91 LEU CD1 C 13 26.1 . . 2 . . . . . . . . 4049 1 931 . 1 1 91 91 LEU CD2 C 13 18.5 . . 2 . . . . . . . . 4049 1 932 . 1 1 91 91 LEU N N 15 118.8 . . 1 . . . . . . . . 4049 1 933 . 1 1 92 92 GLY H H 1 5.36 . . 1 . . . . . . . . 4049 1 934 . 1 1 92 92 GLY HA2 H 1 4.37 . . 2 . . . . . . . . 4049 1 935 . 1 1 92 92 GLY HA3 H 1 3.65 . . 2 . . . . . . . . 4049 1 936 . 1 1 92 92 GLY CA C 13 44.6 . . 1 . . . . . . . . 4049 1 937 . 1 1 92 92 GLY N N 15 107.5 . . 1 . . . . . . . . 4049 1 938 . 1 1 93 93 LYS H H 1 8.51 . . 1 . . . . . . . . 4049 1 939 . 1 1 93 93 LYS HA H 1 4.2 . . 1 . . . . . . . . 4049 1 940 . 1 1 93 93 LYS HB2 H 1 1.74 . . 1 . . . . . . . . 4049 1 941 . 1 1 93 93 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 4049 1 942 . 1 1 93 93 LYS HG2 H 1 1.54 . . 2 . . . . . . . . 4049 1 943 . 1 1 93 93 LYS HG3 H 1 1.26 . . 2 . . . . . . . . 4049 1 944 . 1 1 93 93 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 4049 1 945 . 1 1 93 93 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 4049 1 946 . 1 1 93 93 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 4049 1 947 . 1 1 93 93 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 4049 1 948 . 1 1 93 93 LYS CA C 13 55.1 . . 1 . . . . . . . . 4049 1 949 . 1 1 93 93 LYS CB C 13 29.7 . . 1 . . . . . . . . 4049 1 950 . 1 1 93 93 LYS CG C 13 24.5 . . 1 . . . . . . . . 4049 1 951 . 1 1 93 93 LYS CD C 13 29.7 . . 1 . . . . . . . . 4049 1 952 . 1 1 93 93 LYS CE C 13 41.8 . . 1 . . . . . . . . 4049 1 953 . 1 1 93 93 LYS N N 15 122.6 . . 1 . . . . . . . . 4049 1 954 . 1 1 94 94 HIS H H 1 8.19 . . 1 . . . . . . . . 4049 1 955 . 1 1 94 94 HIS HA H 1 4.59 . . 1 . . . . . . . . 4049 1 956 . 1 1 94 94 HIS HB2 H 1 2.97 . . 2 . . . . . . . . 4049 1 957 . 1 1 94 94 HIS HB3 H 1 1.77 . . 2 . . . . . . . . 4049 1 958 . 1 1 94 94 HIS HD2 H 1 6.87 . . 1 . . . . . . . . 4049 1 959 . 1 1 94 94 HIS HE1 H 1 7.73 . . 1 . . . . . . . . 4049 1 960 . 1 1 94 94 HIS CA C 13 54.3 . . 1 . . . . . . . . 4049 1 961 . 1 1 94 94 HIS CB C 13 31.6 . . 1 . . . . . . . . 4049 1 962 . 1 1 94 94 HIS CE1 C 13 137.3 . . 1 . . . . . . . . 4049 1 963 . 1 1 94 94 HIS N N 15 118.6 . . 1 . . . . . . . . 4049 1 964 . 1 1 95 95 ASN H H 1 7.47 . . 1 . . . . . . . . 4049 1 965 . 1 1 95 95 ASN HA H 1 4.77 . . 1 . . . . . . . . 4049 1 966 . 1 1 95 95 ASN HB2 H 1 2.43 . . 2 . . . . . . . . 4049 1 967 . 1 1 95 95 ASN HB3 H 1 1.81 . . 2 . . . . . . . . 4049 1 968 . 1 1 95 95 ASN CA C 13 50.7 . . 1 . . . . . . . . 4049 1 969 . 1 1 95 95 ASN CB C 13 38.4 . . 1 . . . . . . . . 4049 1 970 . 1 1 95 95 ASN N N 15 119.8 . . 1 . . . . . . . . 4049 1 971 . 1 1 96 96 TYR H H 1 10.11 . . 1 . . . . . . . . 4049 1 972 . 1 1 96 96 TYR HA H 1 5.38 . . 1 . . . . . . . . 4049 1 973 . 1 1 96 96 TYR HB2 H 1 3.46 . . 2 . . . . . . . . 4049 1 974 . 1 1 96 96 TYR HB3 H 1 2.6 . . 2 . . . . . . . . 4049 1 975 . 1 1 96 96 TYR HD1 H 1 6.28 . . 1 . . . . . . . . 4049 1 976 . 1 1 96 96 TYR HD2 H 1 6.28 . . 1 . . . . . . . . 4049 1 977 . 1 1 96 96 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 4049 1 978 . 1 1 96 96 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 4049 1 979 . 1 1 96 96 TYR CA C 13 53.9 . . 1 . . . . . . . . 4049 1 980 . 1 1 96 96 TYR CB C 13 38.1 . . 1 . . . . . . . . 4049 1 981 . 1 1 96 96 TYR CD1 C 13 133.1 . . 1 . . . . . . . . 4049 1 982 . 1 1 96 96 TYR CD2 C 13 133.1 . . 1 . . . . . . . . 4049 1 983 . 1 1 96 96 TYR CE1 C 13 117.1 . . 1 . . . . . . . . 4049 1 984 . 1 1 96 96 TYR CE2 C 13 117.1 . . 1 . . . . . . . . 4049 1 985 . 1 1 96 96 TYR N N 15 117.4 . . 1 . . . . . . . . 4049 1 986 . 1 1 97 97 CYS H H 1 9.08 . . 1 . . . . . . . . 4049 1 987 . 1 1 97 97 CYS HA H 1 4.51 . . 1 . . . . . . . . 4049 1 988 . 1 1 97 97 CYS HB2 H 1 3.18 . . 2 . . . . . . . . 4049 1 989 . 1 1 97 97 CYS HB3 H 1 2.62 . . 2 . . . . . . . . 4049 1 990 . 1 1 97 97 CYS N N 15 118.3 . . 1 . . . . . . . . 4049 1 991 . 1 1 98 98 ARG H H 1 9.13 . . 1 . . . . . . . . 4049 1 992 . 1 1 98 98 ARG HA H 1 5.00 . . 1 . . . . . . . . 4049 1 993 . 1 1 98 98 ARG HB2 H 1 1.45 . . 2 . . . . . . . . 4049 1 994 . 1 1 98 98 ARG HB3 H 1 1.01 . . 2 . . . . . . . . 4049 1 995 . 1 1 98 98 ARG HG2 H 1 1.96 . . 2 . . . . . . . . 4049 1 996 . 1 1 98 98 ARG HG3 H 1 1.16 . . 2 . . . . . . . . 4049 1 997 . 1 1 98 98 ARG HD2 H 1 3.77 . . 2 . . . . . . . . 4049 1 998 . 1 1 98 98 ARG HD3 H 1 3.05 . . 2 . . . . . . . . 4049 1 999 . 1 1 98 98 ARG CA C 13 52.5 . . 1 . . . . . . . . 4049 1 1000 . 1 1 98 98 ARG CB C 13 35.7 . . 1 . . . . . . . . 4049 1 1001 . 1 1 98 98 ARG CG C 13 26.8 . . 1 . . . . . . . . 4049 1 1002 . 1 1 98 98 ARG CD C 13 43.3 . . 1 . . . . . . . . 4049 1 1003 . 1 1 98 98 ARG N N 15 121.6 . . 1 . . . . . . . . 4049 1 1004 . 1 1 99 99 ASN H H 1 8.3 . . 1 . . . . . . . . 4049 1 1005 . 1 1 99 99 ASN HA H 1 5.34 . . 1 . . . . . . . . 4049 1 1006 . 1 1 99 99 ASN HB2 H 1 2.49 . . 2 . . . . . . . . 4049 1 1007 . 1 1 99 99 ASN HB3 H 1 1.95 . . 2 . . . . . . . . 4049 1 1008 . 1 1 99 99 ASN CA C 13 49.6 . . 1 . . . . . . . . 4049 1 1009 . 1 1 99 99 ASN CB C 13 37.8 . . 1 . . . . . . . . 4049 1 1010 . 1 1 99 99 ASN N N 15 110.5 . . 1 . . . . . . . . 4049 1 1011 . 1 1 100 100 PRO HA H 1 4.39 . . 1 . . . . . . . . 4049 1 1012 . 1 1 100 100 PRO HB2 H 1 1.76 . . 2 . . . . . . . . 4049 1 1013 . 1 1 100 100 PRO HB3 H 1 1.63 . . 2 . . . . . . . . 4049 1 1014 . 1 1 100 100 PRO HG2 H 1 1.03 . . 2 . . . . . . . . 4049 1 1015 . 1 1 100 100 PRO HG3 H 1 0.99 . . 2 . . . . . . . . 4049 1 1016 . 1 1 100 100 PRO HD2 H 1 3.36 . . 2 . . . . . . . . 4049 1 1017 . 1 1 100 100 PRO HD3 H 1 2.55 . . 2 . . . . . . . . 4049 1 1018 . 1 1 100 100 PRO CA C 13 64.3 . . 1 . . . . . . . . 4049 1 1019 . 1 1 100 100 PRO CB C 13 33.9 . . 1 . . . . . . . . 4049 1 1020 . 1 1 100 100 PRO CG C 13 26.8 . . 1 . . . . . . . . 4049 1 1021 . 1 1 100 100 PRO CD C 13 49.1 . . 1 . . . . . . . . 4049 1 1022 . 1 1 101 101 ASP H H 1 9.24 . . 1 . . . . . . . . 4049 1 1023 . 1 1 101 101 ASP HA H 1 4.51 . . 1 . . . . . . . . 4049 1 1024 . 1 1 101 101 ASP HB2 H 1 3.03 . . 2 . . . . . . . . 4049 1 1025 . 1 1 101 101 ASP HB3 H 1 2.54 . . 2 . . . . . . . . 4049 1 1026 . 1 1 101 101 ASP CA C 13 52.4 . . 1 . . . . . . . . 4049 1 1027 . 1 1 101 101 ASP CB C 13 38.9 . . 1 . . . . . . . . 4049 1 1028 . 1 1 101 101 ASP N N 15 115.4 . . 1 . . . . . . . . 4049 1 1029 . 1 1 102 102 ASN H H 1 7.16 . . 1 . . . . . . . . 4049 1 1030 . 1 1 102 102 ASN HA H 1 4.02 . . 1 . . . . . . . . 4049 1 1031 . 1 1 102 102 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 4049 1 1032 . 1 1 102 102 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 4049 1 1033 . 1 1 102 102 ASN CA C 13 55.6 . . 1 . . . . . . . . 4049 1 1034 . 1 1 102 102 ASN CB C 13 36.3 . . 1 . . . . . . . . 4049 1 1035 . 1 1 102 102 ASN N N 15 112.00 . . 1 . . . . . . . . 4049 1 1036 . 1 1 103 103 ARG H H 1 9.07 . . 1 . . . . . . . . 4049 1 1037 . 1 1 103 103 ARG HA H 1 4.39 . . 1 . . . . . . . . 4049 1 1038 . 1 1 103 103 ARG HB2 H 1 2.15 . . 2 . . . . . . . . 4049 1 1039 . 1 1 103 103 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 4049 1 1040 . 1 1 103 103 ARG HG2 H 1 1.84 . . 2 . . . . . . . . 4049 1 1041 . 1 1 103 103 ARG HG3 H 1 1.54 . . 2 . . . . . . . . 4049 1 1042 . 1 1 103 103 ARG HD2 H 1 2.68 . . 2 . . . . . . . . 4049 1 1043 . 1 1 103 103 ARG HD3 H 1 2.45 . . 2 . . . . . . . . 4049 1 1044 . 1 1 103 103 ARG CA C 13 57.2 . . 1 . . . . . . . . 4049 1 1045 . 1 1 103 103 ARG CB C 13 30.2 . . 1 . . . . . . . . 4049 1 1046 . 1 1 103 103 ARG CG C 13 27.9 . . 1 . . . . . . . . 4049 1 1047 . 1 1 103 103 ARG CD C 13 42.5 . . 1 . . . . . . . . 4049 1 1048 . 1 1 103 103 ARG N N 15 117.5 . . 1 . . . . . . . . 4049 1 1049 . 1 1 104 104 ARG H H 1 8.43 . . 1 . . . . . . . . 4049 1 1050 . 1 1 104 104 ARG HA H 1 4.09 . . 1 . . . . . . . . 4049 1 1051 . 1 1 104 104 ARG HB2 H 1 1.96 . . 2 . . . . . . . . 4049 1 1052 . 1 1 104 104 ARG HB3 H 1 1.91 . . 2 . . . . . . . . 4049 1 1053 . 1 1 104 104 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 4049 1 1054 . 1 1 104 104 ARG HG3 H 1 1.67 . . 2 . . . . . . . . 4049 1 1055 . 1 1 104 104 ARG HD2 H 1 3.24 . . 1 . . . . . . . . 4049 1 1056 . 1 1 104 104 ARG HD3 H 1 3.24 . . 1 . . . . . . . . 4049 1 1057 . 1 1 104 104 ARG CA C 13 59.00 . . 1 . . . . . . . . 4049 1 1058 . 1 1 104 104 ARG CB C 13 30.5 . . 1 . . . . . . . . 4049 1 1059 . 1 1 104 104 ARG CG C 13 26.8 . . 1 . . . . . . . . 4049 1 1060 . 1 1 104 104 ARG CD C 13 43.3 . . 1 . . . . . . . . 4049 1 1061 . 1 1 104 104 ARG N N 15 117.2 . . 1 . . . . . . . . 4049 1 1062 . 1 1 105 105 ARG H H 1 7.26 . . 1 . . . . . . . . 4049 1 1063 . 1 1 105 105 ARG HA H 1 4.51 . . 1 . . . . . . . . 4049 1 1064 . 1 1 105 105 ARG HB2 H 1 1.89 . . 2 . . . . . . . . 4049 1 1065 . 1 1 105 105 ARG HB3 H 1 1.47 . . 2 . . . . . . . . 4049 1 1066 . 1 1 105 105 ARG HG2 H 1 1.58 . . 2 . . . . . . . . 4049 1 1067 . 1 1 105 105 ARG HG3 H 1 1.5 . . 2 . . . . . . . . 4049 1 1068 . 1 1 105 105 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 4049 1 1069 . 1 1 105 105 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 4049 1 1070 . 1 1 105 105 ARG CA C 13 53.5 . . 1 . . . . . . . . 4049 1 1071 . 1 1 105 105 ARG CB C 13 30.5 . . 1 . . . . . . . . 4049 1 1072 . 1 1 105 105 ARG CG C 13 25.2 . . 1 . . . . . . . . 4049 1 1073 . 1 1 105 105 ARG CD C 13 43.8 . . 1 . . . . . . . . 4049 1 1074 . 1 1 105 105 ARG N N 15 110.8 . . 1 . . . . . . . . 4049 1 1075 . 1 1 106 106 PRO HA H 1 4.03 . . 1 . . . . . . . . 4049 1 1076 . 1 1 106 106 PRO HB2 H 1 1.58 . . 1 . . . . . . . . 4049 1 1077 . 1 1 106 106 PRO HB3 H 1 1.58 . . 1 . . . . . . . . 4049 1 1078 . 1 1 106 106 PRO CA C 13 63.7 . . 1 . . . . . . . . 4049 1 1079 . 1 1 107 107 TRP H H 1 8.99 . . 1 . . . . . . . . 4049 1 1080 . 1 1 107 107 TRP HA H 1 5.42 . . 1 . . . . . . . . 4049 1 1081 . 1 1 107 107 TRP HB2 H 1 3.36 . . 2 . . . . . . . . 4049 1 1082 . 1 1 107 107 TRP HB3 H 1 2.93 . . 2 . . . . . . . . 4049 1 1083 . 1 1 107 107 TRP HD1 H 1 7.28 . . 1 . . . . . . . . 4049 1 1084 . 1 1 107 107 TRP HE1 H 1 10.03 . . 1 . . . . . . . . 4049 1 1085 . 1 1 107 107 TRP HE3 H 1 7.00 . . 1 . . . . . . . . 4049 1 1086 . 1 1 107 107 TRP HZ2 H 1 6.46 . . 3 . . . . . . . . 4049 1 1087 . 1 1 107 107 TRP HZ3 H 1 5.43 . . 3 . . . . . . . . 4049 1 1088 . 1 1 107 107 TRP HH2 H 1 7.22 . . 1 . . . . . . . . 4049 1 1089 . 1 1 107 107 TRP CA C 13 55.5 . . 1 . . . . . . . . 4049 1 1090 . 1 1 107 107 TRP CB C 13 33.6 . . 1 . . . . . . . . 4049 1 1091 . 1 1 107 107 TRP CD1 C 13 129.2 . . 1 . . . . . . . . 4049 1 1092 . 1 1 107 107 TRP CE3 C 13 121.6 . . 1 . . . . . . . . 4049 1 1093 . 1 1 107 107 TRP CZ2 C 13 113.5 . . 1 . . . . . . . . 4049 1 1094 . 1 1 107 107 TRP CZ3 C 13 122.1 . . 1 . . . . . . . . 4049 1 1095 . 1 1 107 107 TRP CH2 C 13 122.4 . . 1 . . . . . . . . 4049 1 1096 . 1 1 107 107 TRP N N 15 120.5 . . 1 . . . . . . . . 4049 1 1097 . 1 1 108 108 CYS H H 1 9.15 . . 1 . . . . . . . . 4049 1 1098 . 1 1 108 108 CYS HA H 1 4.63 . . 1 . . . . . . . . 4049 1 1099 . 1 1 108 108 CYS HB2 H 1 3.48 . . 2 . . . . . . . . 4049 1 1100 . 1 1 108 108 CYS HB3 H 1 2.9 . . 2 . . . . . . . . 4049 1 1101 . 1 1 108 108 CYS N N 15 111.7 . . 1 . . . . . . . . 4049 1 1102 . 1 1 109 109 TYR H H 1 8.53 . . 1 . . . . . . . . 4049 1 1103 . 1 1 109 109 TYR HA H 1 5.14 . . 1 . . . . . . . . 4049 1 1104 . 1 1 109 109 TYR HB2 H 1 2.71 . . 2 . . . . . . . . 4049 1 1105 . 1 1 109 109 TYR HB3 H 1 2.53 . . 2 . . . . . . . . 4049 1 1106 . 1 1 109 109 TYR HD1 H 1 6.9 . . 1 . . . . . . . . 4049 1 1107 . 1 1 109 109 TYR HD2 H 1 6.9 . . 1 . . . . . . . . 4049 1 1108 . 1 1 109 109 TYR HE1 H 1 6.88 . . 1 . . . . . . . . 4049 1 1109 . 1 1 109 109 TYR HE2 H 1 6.88 . . 1 . . . . . . . . 4049 1 1110 . 1 1 109 109 TYR CA C 13 58.3 . . 1 . . . . . . . . 4049 1 1111 . 1 1 109 109 TYR CB C 13 39.4 . . 1 . . . . . . . . 4049 1 1112 . 1 1 109 109 TYR CE1 C 13 118.7 . . 1 . . . . . . . . 4049 1 1113 . 1 1 109 109 TYR CE2 C 13 118.7 . . 1 . . . . . . . . 4049 1 1114 . 1 1 109 109 TYR N N 15 118.00 . . 1 . . . . . . . . 4049 1 1115 . 1 1 110 110 VAL H H 1 9.02 . . 1 . . . . . . . . 4049 1 1116 . 1 1 110 110 VAL HA H 1 4.3 . . 1 . . . . . . . . 4049 1 1117 . 1 1 110 110 VAL HB H 1 1.68 . . 1 . . . . . . . . 4049 1 1118 . 1 1 110 110 VAL HG11 H 1 0.97 . . 2 . . . . . . . . 4049 1 1119 . 1 1 110 110 VAL HG12 H 1 0.97 . . 2 . . . . . . . . 4049 1 1120 . 1 1 110 110 VAL HG13 H 1 0.97 . . 2 . . . . . . . . 4049 1 1121 . 1 1 110 110 VAL HG21 H 1 0.81 . . 2 . . . . . . . . 4049 1 1122 . 1 1 110 110 VAL HG22 H 1 0.81 . . 2 . . . . . . . . 4049 1 1123 . 1 1 110 110 VAL HG23 H 1 0.81 . . 2 . . . . . . . . 4049 1 1124 . 1 1 110 110 VAL CA C 13 60.3 . . 1 . . . . . . . . 4049 1 1125 . 1 1 110 110 VAL CB C 13 36.5 . . 1 . . . . . . . . 4049 1 1126 . 1 1 110 110 VAL CG1 C 13 21.8 . . 2 . . . . . . . . 4049 1 1127 . 1 1 110 110 VAL CG2 C 13 21.00 . . 2 . . . . . . . . 4049 1 1128 . 1 1 110 110 VAL N N 15 120.5 . . 1 . . . . . . . . 4049 1 1129 . 1 1 111 111 GLN H H 1 8.82 . . 1 . . . . . . . . 4049 1 1130 . 1 1 111 111 GLN HA H 1 4.16 . . 1 . . . . . . . . 4049 1 1131 . 1 1 111 111 GLN HB2 H 1 2.1 . . 2 . . . . . . . . 4049 1 1132 . 1 1 111 111 GLN HB3 H 1 1.94 . . 2 . . . . . . . . 4049 1 1133 . 1 1 111 111 GLN HG2 H 1 2.28 . . 2 . . . . . . . . 4049 1 1134 . 1 1 111 111 GLN HG3 H 1 1.95 . . 2 . . . . . . . . 4049 1 1135 . 1 1 111 111 GLN HE21 H 1 6.61 . . 2 . . . . . . . . 4049 1 1136 . 1 1 111 111 GLN HE22 H 1 6.99 . . 2 . . . . . . . . 4049 1 1137 . 1 1 111 111 GLN CA C 13 55.9 . . 1 . . . . . . . . 4049 1 1138 . 1 1 111 111 GLN CB C 13 28.2 . . 1 . . . . . . . . 4049 1 1139 . 1 1 111 111 GLN CG C 13 33.1 . . 1 . . . . . . . . 4049 1 1140 . 1 1 111 111 GLN N N 15 125.4 . . 1 . . . . . . . . 4049 1 1141 . 1 1 111 111 GLN NE2 N 15 111.1 . . 1 . . . . . . . . 4049 1 1142 . 1 1 112 112 VAL H H 1 8.47 . . 1 . . . . . . . . 4049 1 1143 . 1 1 112 112 VAL HA H 1 4.18 . . 1 . . . . . . . . 4049 1 1144 . 1 1 112 112 VAL HB H 1 2.09 . . 1 . . . . . . . . 4049 1 1145 . 1 1 112 112 VAL HG11 H 1 0.91 . . 2 . . . . . . . . 4049 1 1146 . 1 1 112 112 VAL HG12 H 1 0.91 . . 2 . . . . . . . . 4049 1 1147 . 1 1 112 112 VAL HG13 H 1 0.91 . . 2 . . . . . . . . 4049 1 1148 . 1 1 112 112 VAL HG21 H 1 0.85 . . 2 . . . . . . . . 4049 1 1149 . 1 1 112 112 VAL HG22 H 1 0.85 . . 2 . . . . . . . . 4049 1 1150 . 1 1 112 112 VAL HG23 H 1 0.85 . . 2 . . . . . . . . 4049 1 1151 . 1 1 112 112 VAL CA C 13 62.2 . . 1 . . . . . . . . 4049 1 1152 . 1 1 112 112 VAL CB C 13 32.1 . . 1 . . . . . . . . 4049 1 1153 . 1 1 112 112 VAL CG1 C 13 21.1 . . 2 . . . . . . . . 4049 1 1154 . 1 1 112 112 VAL CG2 C 13 20.6 . . 2 . . . . . . . . 4049 1 1155 . 1 1 112 112 VAL N N 15 131.7 . . 1 . . . . . . . . 4049 1 1156 . 1 1 113 113 GLY H H 1 8.76 . . 1 . . . . . . . . 4049 1 1157 . 1 1 113 113 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 4049 1 1158 . 1 1 113 113 GLY HA3 H 1 3.69 . . 2 . . . . . . . . 4049 1 1159 . 1 1 113 113 GLY CA C 13 46.5 . . 1 . . . . . . . . 4049 1 1160 . 1 1 113 113 GLY N N 15 115.9 . . 1 . . . . . . . . 4049 1 1161 . 1 1 114 114 LEU H H 1 8.85 . . 1 . . . . . . . . 4049 1 1162 . 1 1 114 114 LEU HA H 1 4.21 . . 1 . . . . . . . . 4049 1 1163 . 1 1 114 114 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 4049 1 1164 . 1 1 114 114 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 4049 1 1165 . 1 1 114 114 LEU HG H 1 1.67 . . 1 . . . . . . . . 4049 1 1166 . 1 1 114 114 LEU HD11 H 1 0.95 . . 2 . . . . . . . . 4049 1 1167 . 1 1 114 114 LEU HD12 H 1 0.95 . . 2 . . . . . . . . 4049 1 1168 . 1 1 114 114 LEU HD13 H 1 0.95 . . 2 . . . . . . . . 4049 1 1169 . 1 1 114 114 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4049 1 1170 . 1 1 114 114 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4049 1 1171 . 1 1 114 114 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4049 1 1172 . 1 1 114 114 LEU CA C 13 55.4 . . 1 . . . . . . . . 4049 1 1173 . 1 1 114 114 LEU CB C 13 42.3 . . 1 . . . . . . . . 4049 1 1174 . 1 1 114 114 LEU CG C 13 26.8 . . 1 . . . . . . . . 4049 1 1175 . 1 1 114 114 LEU CD1 C 13 25.00 . . 2 . . . . . . . . 4049 1 1176 . 1 1 114 114 LEU CD2 C 13 22.5 . . 2 . . . . . . . . 4049 1 1177 . 1 1 114 114 LEU N N 15 124.2 . . 1 . . . . . . . . 4049 1 1178 . 1 1 115 115 LYS H H 1 7.62 . . 1 . . . . . . . . 4049 1 1179 . 1 1 115 115 LYS HA H 1 4.91 . . 1 . . . . . . . . 4049 1 1180 . 1 1 115 115 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 4049 1 1181 . 1 1 115 115 LYS HB3 H 1 1.76 . . 1 . . . . . . . . 4049 1 1182 . 1 1 115 115 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 4049 1 1183 . 1 1 115 115 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 4049 1 1184 . 1 1 115 115 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4049 1 1185 . 1 1 115 115 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 4049 1 1186 . 1 1 115 115 LYS HE2 H 1 3.04 . . 1 . . . . . . . . 4049 1 1187 . 1 1 115 115 LYS HE3 H 1 3.04 . . 1 . . . . . . . . 4049 1 1188 . 1 1 115 115 LYS CA C 13 53.00 . . 1 . . . . . . . . 4049 1 1189 . 1 1 115 115 LYS CB C 13 34.9 . . 1 . . . . . . . . 4049 1 1190 . 1 1 115 115 LYS CG C 13 24.2 . . 1 . . . . . . . . 4049 1 1191 . 1 1 115 115 LYS CD C 13 28.7 . . 1 . . . . . . . . 4049 1 1192 . 1 1 115 115 LYS CE C 13 42.00 . . 1 . . . . . . . . 4049 1 1193 . 1 1 115 115 LYS N N 15 118.4 . . 1 . . . . . . . . 4049 1 1194 . 1 1 116 116 PRO HA H 1 4.9 . . 1 . . . . . . . . 4049 1 1195 . 1 1 116 116 PRO HB2 H 1 1.66 . . 2 . . . . . . . . 4049 1 1196 . 1 1 116 116 PRO HB3 H 1 1.48 . . 2 . . . . . . . . 4049 1 1197 . 1 1 116 116 PRO HG2 H 1 1.98 . . 2 . . . . . . . . 4049 1 1198 . 1 1 116 116 PRO HG3 H 1 1.75 . . 2 . . . . . . . . 4049 1 1199 . 1 1 116 116 PRO HD2 H 1 3.71 . . 2 . . . . . . . . 4049 1 1200 . 1 1 116 116 PRO HD3 H 1 3.64 . . 2 . . . . . . . . 4049 1 1201 . 1 1 116 116 PRO CA C 13 61.1 . . 1 . . . . . . . . 4049 1 1202 . 1 1 116 116 PRO CB C 13 31.00 . . 1 . . . . . . . . 4049 1 1203 . 1 1 116 116 PRO CG C 13 27.1 . . 1 . . . . . . . . 4049 1 1204 . 1 1 116 116 PRO CD C 13 49.6 . . 1 . . . . . . . . 4049 1 1205 . 1 1 117 117 LEU H H 1 9.25 . . 1 . . . . . . . . 4049 1 1206 . 1 1 117 117 LEU HA H 1 4.9 . . 1 . . . . . . . . 4049 1 1207 . 1 1 117 117 LEU HB2 H 1 1.67 . . 2 . . . . . . . . 4049 1 1208 . 1 1 117 117 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 4049 1 1209 . 1 1 117 117 LEU HG H 1 1.75 . . 1 . . . . . . . . 4049 1 1210 . 1 1 117 117 LEU HD11 H 1 0.97 . . 2 . . . . . . . . 4049 1 1211 . 1 1 117 117 LEU HD12 H 1 0.97 . . 2 . . . . . . . . 4049 1 1212 . 1 1 117 117 LEU HD13 H 1 0.97 . . 2 . . . . . . . . 4049 1 1213 . 1 1 117 117 LEU HD21 H 1 0.95 . . 2 . . . . . . . . 4049 1 1214 . 1 1 117 117 LEU HD22 H 1 0.95 . . 2 . . . . . . . . 4049 1 1215 . 1 1 117 117 LEU HD23 H 1 0.95 . . 2 . . . . . . . . 4049 1 1216 . 1 1 117 117 LEU CA C 13 53.3 . . 1 . . . . . . . . 4049 1 1217 . 1 1 117 117 LEU CB C 13 46.1 . . 1 . . . . . . . . 4049 1 1218 . 1 1 117 117 LEU CG C 13 26.8 . . 1 . . . . . . . . 4049 1 1219 . 1 1 117 117 LEU CD1 C 13 24.8 . . 2 . . . . . . . . 4049 1 1220 . 1 1 117 117 LEU CD2 C 13 23.9 . . 2 . . . . . . . . 4049 1 1221 . 1 1 117 117 LEU N N 15 123.9 . . 1 . . . . . . . . 4049 1 1222 . 1 1 118 118 VAL H H 1 8.38 . . 1 . . . . . . . . 4049 1 1223 . 1 1 118 118 VAL HA H 1 3.8 . . 1 . . . . . . . . 4049 1 1224 . 1 1 118 118 VAL HB H 1 1.66 . . 1 . . . . . . . . 4049 1 1225 . 1 1 118 118 VAL HG11 H 1 0.59 . . 2 . . . . . . . . 4049 1 1226 . 1 1 118 118 VAL HG12 H 1 0.59 . . 2 . . . . . . . . 4049 1 1227 . 1 1 118 118 VAL HG13 H 1 0.59 . . 2 . . . . . . . . 4049 1 1228 . 1 1 118 118 VAL HG21 H 1 0.11 . . 2 . . . . . . . . 4049 1 1229 . 1 1 118 118 VAL HG22 H 1 0.11 . . 2 . . . . . . . . 4049 1 1230 . 1 1 118 118 VAL HG23 H 1 0.11 . . 2 . . . . . . . . 4049 1 1231 . 1 1 118 118 VAL CA C 13 64.5 . . 1 . . . . . . . . 4049 1 1232 . 1 1 118 118 VAL CB C 13 31.3 . . 1 . . . . . . . . 4049 1 1233 . 1 1 118 118 VAL CG1 C 13 21.8 . . 2 . . . . . . . . 4049 1 1234 . 1 1 118 118 VAL CG2 C 13 19.3 . . 2 . . . . . . . . 4049 1 1235 . 1 1 118 118 VAL N N 15 123.2 . . 1 . . . . . . . . 4049 1 1236 . 1 1 119 119 GLN H H 1 9.15 . . 1 . . . . . . . . 4049 1 1237 . 1 1 119 119 GLN HA H 1 4.69 . . 1 . . . . . . . . 4049 1 1238 . 1 1 119 119 GLN HB2 H 1 2.38 . . 2 . . . . . . . . 4049 1 1239 . 1 1 119 119 GLN HB3 H 1 1.97 . . 2 . . . . . . . . 4049 1 1240 . 1 1 119 119 GLN HG2 H 1 2.53 . . 2 . . . . . . . . 4049 1 1241 . 1 1 119 119 GLN HG3 H 1 2.22 . . 2 . . . . . . . . 4049 1 1242 . 1 1 119 119 GLN CA C 13 53.5 . . 1 . . . . . . . . 4049 1 1243 . 1 1 119 119 GLN CB C 13 33.9 . . 1 . . . . . . . . 4049 1 1244 . 1 1 119 119 GLN CG C 13 33.9 . . 1 . . . . . . . . 4049 1 1245 . 1 1 119 119 GLN N N 15 127.00 . . 1 . . . . . . . . 4049 1 1246 . 1 1 120 120 GLU H H 1 8.57 . . 1 . . . . . . . . 4049 1 1247 . 1 1 120 120 GLU HA H 1 4.27 . . 1 . . . . . . . . 4049 1 1248 . 1 1 120 120 GLU HB2 H 1 2.04 . . 2 . . . . . . . . 4049 1 1249 . 1 1 120 120 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 4049 1 1250 . 1 1 120 120 GLU HG2 H 1 2.48 . . 1 . . . . . . . . 4049 1 1251 . 1 1 120 120 GLU HG3 H 1 2.29 . . 2 . . . . . . . . 4049 1 1252 . 1 1 120 120 GLU CA C 13 56.7 . . 1 . . . . . . . . 4049 1 1253 . 1 1 120 120 GLU CB C 13 29.9 . . 1 . . . . . . . . 4049 1 1254 . 1 1 120 120 GLU CG C 13 37.3 . . 1 . . . . . . . . 4049 1 1255 . 1 1 120 120 GLU N N 15 118.7 . . 1 . . . . . . . . 4049 1 1256 . 1 1 121 121 CYS H H 1 8.36 . . 1 . . . . . . . . 4049 1 1257 . 1 1 121 121 CYS HA H 1 4.75 . . 1 . . . . . . . . 4049 1 1258 . 1 1 121 121 CYS HB2 H 1 2.86 . . 1 . . . . . . . . 4049 1 1259 . 1 1 121 121 CYS HB3 H 1 2.86 . . 1 . . . . . . . . 4049 1 1260 . 1 1 121 121 CYS N N 15 118.2 . . 1 . . . . . . . . 4049 1 1261 . 1 1 122 122 MET H H 1 8.6 . . 1 . . . . . . . . 4049 1 1262 . 1 1 122 122 MET HA H 1 4.4 . . 1 . . . . . . . . 4049 1 1263 . 1 1 122 122 MET HB2 H 1 2.51 . . 2 . . . . . . . . 4049 1 1264 . 1 1 122 122 MET HB3 H 1 2.39 . . 2 . . . . . . . . 4049 1 1265 . 1 1 122 122 MET HG2 H 1 2.08 . . 2 . . . . . . . . 4049 1 1266 . 1 1 122 122 MET HG3 H 1 1.74 . . 2 . . . . . . . . 4049 1 1267 . 1 1 122 122 MET HE1 H 1 2.1 . . 1 . . . . . . . . 4049 1 1268 . 1 1 122 122 MET HE2 H 1 2.1 . . 1 . . . . . . . . 4049 1 1269 . 1 1 122 122 MET HE3 H 1 2.1 . . 1 . . . . . . . . 4049 1 1270 . 1 1 122 122 MET CA C 13 54.8 . . 1 . . . . . . . . 4049 1 1271 . 1 1 122 122 MET CB C 13 32.1 . . 1 . . . . . . . . 4049 1 1272 . 1 1 122 122 MET CG C 13 31.8 . . 1 . . . . . . . . 4049 1 1273 . 1 1 122 122 MET CE C 13 16.9 . . 1 . . . . . . . . 4049 1 1274 . 1 1 122 122 MET N N 15 122.9 . . 1 . . . . . . . . 4049 1 1275 . 1 1 123 123 VAL H H 1 7.41 . . 1 . . . . . . . . 4049 1 1276 . 1 1 123 123 VAL HA H 1 4.22 . . 1 . . . . . . . . 4049 1 1277 . 1 1 123 123 VAL HB H 1 1.98 . . 1 . . . . . . . . 4049 1 1278 . 1 1 123 123 VAL HG11 H 1 0.79 . . 2 . . . . . . . . 4049 1 1279 . 1 1 123 123 VAL HG12 H 1 0.79 . . 2 . . . . . . . . 4049 1 1280 . 1 1 123 123 VAL HG13 H 1 0.79 . . 2 . . . . . . . . 4049 1 1281 . 1 1 123 123 VAL HG21 H 1 0.6 . . 2 . . . . . . . . 4049 1 1282 . 1 1 123 123 VAL HG22 H 1 0.6 . . 2 . . . . . . . . 4049 1 1283 . 1 1 123 123 VAL HG23 H 1 0.6 . . 2 . . . . . . . . 4049 1 1284 . 1 1 123 123 VAL CA C 13 60.6 . . 1 . . . . . . . . 4049 1 1285 . 1 1 123 123 VAL CB C 13 32.8 . . 1 . . . . . . . . 4049 1 1286 . 1 1 123 123 VAL CG1 C 13 20.5 . . 2 . . . . . . . . 4049 1 1287 . 1 1 123 123 VAL CG2 C 13 19.8 . . 2 . . . . . . . . 4049 1 1288 . 1 1 123 123 VAL N N 15 122.8 . . 1 . . . . . . . . 4049 1 1289 . 1 1 124 124 HIS H H 1 8.72 . . 1 . . . . . . . . 4049 1 1290 . 1 1 124 124 HIS HA H 1 4.94 . . 1 . . . . . . . . 4049 1 1291 . 1 1 124 124 HIS HB2 H 1 3.26 . . 2 . . . . . . . . 4049 1 1292 . 1 1 124 124 HIS HB3 H 1 3.15 . . 2 . . . . . . . . 4049 1 1293 . 1 1 124 124 HIS HD2 H 1 7.3 . . 1 . . . . . . . . 4049 1 1294 . 1 1 124 124 HIS HE1 H 1 8.6 . . 1 . . . . . . . . 4049 1 1295 . 1 1 124 124 HIS CA C 13 54.3 . . 1 . . . . . . . . 4049 1 1296 . 1 1 124 124 HIS CB C 13 30.3 . . 1 . . . . . . . . 4049 1 1297 . 1 1 124 124 HIS CD2 C 13 120.00 . . 1 . . . . . . . . 4049 1 1298 . 1 1 124 124 HIS CE1 C 13 136.8 . . 1 . . . . . . . . 4049 1 1299 . 1 1 124 124 HIS N N 15 122.8 . . 1 . . . . . . . . 4049 1 1300 . 1 1 125 125 ASP H H 1 8.54 . . 1 . . . . . . . . 4049 1 1301 . 1 1 125 125 ASP HA H 1 4.32 . . 1 . . . . . . . . 4049 1 1302 . 1 1 125 125 ASP HB2 H 1 3.2 . . 2 . . . . . . . . 4049 1 1303 . 1 1 125 125 ASP HB3 H 1 2.55 . . 2 . . . . . . . . 4049 1 1304 . 1 1 125 125 ASP CA C 13 52.5 . . 1 . . . . . . . . 4049 1 1305 . 1 1 125 125 ASP CB C 13 42.3 . . 1 . . . . . . . . 4049 1 1306 . 1 1 125 125 ASP N N 15 120.9 . . 1 . . . . . . . . 4049 1 1307 . 1 1 127 127 ALA H H 1 8.71 . . 1 . . . . . . . . 4049 1 1308 . 1 1 127 127 ALA HA H 1 4.34 . . 1 . . . . . . . . 4049 1 1309 . 1 1 127 127 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 4049 1 1310 . 1 1 127 127 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 4049 1 1311 . 1 1 127 127 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 4049 1 1312 . 1 1 127 127 ALA CA C 13 52.5 . . 1 . . . . . . . . 4049 1 1313 . 1 1 127 127 ALA CB C 13 19.00 . . 1 . . . . . . . . 4049 1 1314 . 1 1 127 127 ALA N N 15 122.5 . . 1 . . . . . . . . 4049 1 1315 . 1 1 128 128 ASP H H 1 7.96 . . 1 . . . . . . . . 4049 1 1316 . 1 1 128 128 ASP HA H 1 4.79 . . 1 . . . . . . . . 4049 1 1317 . 1 1 128 128 ASP HB2 H 1 3.24 . . 2 . . . . . . . . 4049 1 1318 . 1 1 128 128 ASP HB3 H 1 2.86 . . 2 . . . . . . . . 4049 1 1319 . 1 1 128 128 ASP CA C 13 51.4 . . 1 . . . . . . . . 4049 1 1320 . 1 1 128 128 ASP CB C 13 37.1 . . 1 . . . . . . . . 4049 1 1321 . 1 1 128 128 ASP N N 15 116.8 . . 1 . . . . . . . . 4049 1 1322 . 1 1 129 129 GLY H H 1 8.17 . . 1 . . . . . . . . 4049 1 1323 . 1 1 129 129 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4049 1 1324 . 1 1 129 129 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 4049 1 1325 . 1 1 129 129 GLY CA C 13 45.3 . . 1 . . . . . . . . 4049 1 1326 . 1 1 129 129 GLY N N 15 108.6 . . 1 . . . . . . . . 4049 1 1327 . 1 1 130 130 LYS H H 1 7.75 . . 1 . . . . . . . . 4049 1 1328 . 1 1 130 130 LYS HA H 1 4.12 . . 1 . . . . . . . . 4049 1 1329 . 1 1 130 130 LYS HB2 H 1 1.85 . . 2 . . . . . . . . 4049 1 1330 . 1 1 130 130 LYS HB3 H 1 1.74 . . 2 . . . . . . . . 4049 1 1331 . 1 1 130 130 LYS HG2 H 1 1.4 . . 1 . . . . . . . . 4049 1 1332 . 1 1 130 130 LYS HG3 H 1 1.4 . . 1 . . . . . . . . 4049 1 1333 . 1 1 130 130 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 4049 1 1334 . 1 1 130 130 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 4049 1 1335 . 1 1 130 130 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4049 1 1336 . 1 1 130 130 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4049 1 1337 . 1 1 130 130 LYS CA C 13 57.2 . . 1 . . . . . . . . 4049 1 1338 . 1 1 130 130 LYS CB C 13 33.4 . . 1 . . . . . . . . 4049 1 1339 . 1 1 130 130 LYS CG C 13 24.7 . . 1 . . . . . . . . 4049 1 1340 . 1 1 130 130 LYS CD C 13 28.9 . . 1 . . . . . . . . 4049 1 1341 . 1 1 130 130 LYS CE C 13 42.00 . . 1 . . . . . . . . 4049 1 1342 . 1 1 130 130 LYS N N 15 124.6 . . 1 . . . . . . . . 4049 1 stop_ save_