data_15935 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15935 _Entry.Title ; Pfu RPP29d17-RPP21V14 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-30 _Entry.Accession_date 2008-08-30 _Entry.Last_release_date 2015-07-23 _Entry.Original_release_date 2015-07-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yiren Xu . . . 15935 2 Carlos Amero . D. . 15935 3 Wen-Yi Chen . . . 15935 4 I-Ming Cho . . . 15935 5 Mark Foster . P. . 15935 6 Venkat Gopalan . . . 15935 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15935 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 838 15935 '15N chemical shifts' 171 15935 '1H chemical shifts' 1317 15935 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-07-23 . original BMRB . 15935 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15935 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Pfu RPP29d17-RPP21V14 complex ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Yiren Xu . . . 15935 1 2 Carlos Amero . D. . 15935 1 3 Wen-Yi Chen . . . 15935 1 4 I-Ming Cho . . . 15935 1 5 Venkat Gopalan . . . 15935 1 6 Mark Foster . P. . 15935 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 15935 1 'Protein complex' 15935 1 'RNase P' 15935 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15935 _Assembly.ID 1 _Assembly.Name 'Pfu RPP29d17-RPP21V14 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 28159.4 _Assembly.Enzyme_commission_number . _Assembly.Details 'Pfu Rpp21-Rpp29 complex is composed of one Rpp21 and Rpp29 and one Zn ion chelated by Rpp21 4 Cys.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Pfu Rpp29' 1 $Pfu_Rpp29 A . yes native no no 1 . . 15935 1 2 'Pfu Rpp21' 2 $Pfu_Rpp21 B . yes native no no 1 . . 15935 1 3 ZN 3 $ZN C . no native no no . . . 15935 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 'Pfu Rpp21' 2 CYS 62 62 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 15935 1 2 coordination single . 2 'Pfu Rpp21' 2 CYS 65 65 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 15935 1 3 coordination single . 2 'Pfu Rpp21' 2 CYS 91 91 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 15935 1 4 coordination single . 2 'Pfu Rpp21' 2 CYS 94 94 SG . 3 ZN 3 ZN 1 1 ZN . . . . . . . . . . 15935 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pfu_Rpp29 _Entity.Sf_category entity _Entity.Sf_framecode Pfu_Rpp29 _Entity.Entry_ID 15935 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pfu_Rpp29 _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 ; MGSYQEIIGRTWIFRGAHRG RVNKKNIVWHELIGLKVRVV NSTHPGYVGIEGYVIDETRN MLVIAGENKVWKVPKDVCIF EFETWDGTKIKISGEKLVGR PEMRLKKRWRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-127 are from Pfu Rpp29. Residues 301-422 are from Pfu Rpp21' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Pfu Rpp29d17-Rpp21' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28159.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The formula mass is calculated by ProPram on unlabeled proteins without Zn.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16266 . Pfu_RPP29 . . . . . 100.00 127 99.10 99.10 1.17e-71 . . . . 15935 1 2 no PDB 2KI7 . "The Solution Structure Of Rpp29-Rpp21 Complex From Pyrococcus Furiosus" . . . . . 100.00 127 99.10 99.10 1.17e-71 . . . . 15935 1 3 no GB AAL81940 . "hypothetical protein PF1816 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 127 99.10 99.10 1.17e-71 . . . . 15935 1 4 no REF WP_048059096 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 89.19 99 98.99 100.00 1.68e-62 . . . . 15935 1 5 no SP Q8U007 . "RecName: Full=Ribonuclease P protein component 1; Short=RNase P component 1; AltName: Full=Rpp29" . . . . . 100.00 127 99.10 99.10 1.17e-71 . . . . 15935 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNase P proteins' 15935 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 17 MET . 15935 1 2 18 GLY . 15935 1 3 19 SER . 15935 1 4 20 TYR . 15935 1 5 21 GLN . 15935 1 6 22 GLU . 15935 1 7 23 ILE . 15935 1 8 24 ILE . 15935 1 9 25 GLY . 15935 1 10 26 ARG . 15935 1 11 27 THR . 15935 1 12 28 TRP . 15935 1 13 29 ILE . 15935 1 14 30 PHE . 15935 1 15 31 ARG . 15935 1 16 32 GLY . 15935 1 17 33 ALA . 15935 1 18 34 HIS . 15935 1 19 35 ARG . 15935 1 20 36 GLY . 15935 1 21 37 ARG . 15935 1 22 38 VAL . 15935 1 23 39 ASN . 15935 1 24 40 LYS . 15935 1 25 41 LYS . 15935 1 26 42 ASN . 15935 1 27 43 ILE . 15935 1 28 44 VAL . 15935 1 29 45 TRP . 15935 1 30 46 HIS . 15935 1 31 47 GLU . 15935 1 32 48 LEU . 15935 1 33 49 ILE . 15935 1 34 50 GLY . 15935 1 35 51 LEU . 15935 1 36 52 LYS . 15935 1 37 53 VAL . 15935 1 38 54 ARG . 15935 1 39 55 VAL . 15935 1 40 56 VAL . 15935 1 41 57 ASN . 15935 1 42 58 SER . 15935 1 43 59 THR . 15935 1 44 60 HIS . 15935 1 45 61 PRO . 15935 1 46 62 GLY . 15935 1 47 63 TYR . 15935 1 48 64 VAL . 15935 1 49 65 GLY . 15935 1 50 66 ILE . 15935 1 51 67 GLU . 15935 1 52 68 GLY . 15935 1 53 69 TYR . 15935 1 54 70 VAL . 15935 1 55 71 ILE . 15935 1 56 72 ASP . 15935 1 57 73 GLU . 15935 1 58 74 THR . 15935 1 59 75 ARG . 15935 1 60 76 ASN . 15935 1 61 77 MET . 15935 1 62 78 LEU . 15935 1 63 79 VAL . 15935 1 64 80 ILE . 15935 1 65 81 ALA . 15935 1 66 82 GLY . 15935 1 67 83 GLU . 15935 1 68 84 ASN . 15935 1 69 85 LYS . 15935 1 70 86 VAL . 15935 1 71 87 TRP . 15935 1 72 88 LYS . 15935 1 73 89 VAL . 15935 1 74 90 PRO . 15935 1 75 91 LYS . 15935 1 76 92 ASP . 15935 1 77 93 VAL . 15935 1 78 94 CYS . 15935 1 79 95 ILE . 15935 1 80 96 PHE . 15935 1 81 97 GLU . 15935 1 82 98 PHE . 15935 1 83 99 GLU . 15935 1 84 100 THR . 15935 1 85 101 TRP . 15935 1 86 102 ASP . 15935 1 87 103 GLY . 15935 1 88 104 THR . 15935 1 89 105 LYS . 15935 1 90 106 ILE . 15935 1 91 107 LYS . 15935 1 92 108 ILE . 15935 1 93 109 SER . 15935 1 94 110 GLY . 15935 1 95 111 GLU . 15935 1 96 112 LYS . 15935 1 97 113 LEU . 15935 1 98 114 VAL . 15935 1 99 115 GLY . 15935 1 100 116 ARG . 15935 1 101 117 PRO . 15935 1 102 118 GLU . 15935 1 103 119 MET . 15935 1 104 120 ARG . 15935 1 105 121 LEU . 15935 1 106 122 LYS . 15935 1 107 123 LYS . 15935 1 108 124 ARG . 15935 1 109 125 TRP . 15935 1 110 126 ARG . 15935 1 111 127 LYS . 15935 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15935 1 . GLY 2 2 15935 1 . SER 3 3 15935 1 . TYR 4 4 15935 1 . GLN 5 5 15935 1 . GLU 6 6 15935 1 . ILE 7 7 15935 1 . ILE 8 8 15935 1 . GLY 9 9 15935 1 . ARG 10 10 15935 1 . THR 11 11 15935 1 . TRP 12 12 15935 1 . ILE 13 13 15935 1 . PHE 14 14 15935 1 . ARG 15 15 15935 1 . GLY 16 16 15935 1 . ALA 17 17 15935 1 . HIS 18 18 15935 1 . ARG 19 19 15935 1 . GLY 20 20 15935 1 . ARG 21 21 15935 1 . VAL 22 22 15935 1 . ASN 23 23 15935 1 . LYS 24 24 15935 1 . LYS 25 25 15935 1 . ASN 26 26 15935 1 . ILE 27 27 15935 1 . VAL 28 28 15935 1 . TRP 29 29 15935 1 . HIS 30 30 15935 1 . GLU 31 31 15935 1 . LEU 32 32 15935 1 . ILE 33 33 15935 1 . GLY 34 34 15935 1 . LEU 35 35 15935 1 . LYS 36 36 15935 1 . VAL 37 37 15935 1 . ARG 38 38 15935 1 . VAL 39 39 15935 1 . VAL 40 40 15935 1 . ASN 41 41 15935 1 . SER 42 42 15935 1 . THR 43 43 15935 1 . HIS 44 44 15935 1 . PRO 45 45 15935 1 . GLY 46 46 15935 1 . TYR 47 47 15935 1 . VAL 48 48 15935 1 . GLY 49 49 15935 1 . ILE 50 50 15935 1 . GLU 51 51 15935 1 . GLY 52 52 15935 1 . TYR 53 53 15935 1 . VAL 54 54 15935 1 . ILE 55 55 15935 1 . ASP 56 56 15935 1 . GLU 57 57 15935 1 . THR 58 58 15935 1 . ARG 59 59 15935 1 . ASN 60 60 15935 1 . MET 61 61 15935 1 . LEU 62 62 15935 1 . VAL 63 63 15935 1 . ILE 64 64 15935 1 . ALA 65 65 15935 1 . GLY 66 66 15935 1 . GLU 67 67 15935 1 . ASN 68 68 15935 1 . LYS 69 69 15935 1 . VAL 70 70 15935 1 . TRP 71 71 15935 1 . LYS 72 72 15935 1 . VAL 73 73 15935 1 . PRO 74 74 15935 1 . LYS 75 75 15935 1 . ASP 76 76 15935 1 . VAL 77 77 15935 1 . CYS 78 78 15935 1 . ILE 79 79 15935 1 . PHE 80 80 15935 1 . GLU 81 81 15935 1 . PHE 82 82 15935 1 . GLU 83 83 15935 1 . THR 84 84 15935 1 . TRP 85 85 15935 1 . ASP 86 86 15935 1 . GLY 87 87 15935 1 . THR 88 88 15935 1 . LYS 89 89 15935 1 . ILE 90 90 15935 1 . LYS 91 91 15935 1 . ILE 92 92 15935 1 . SER 93 93 15935 1 . GLY 94 94 15935 1 . GLU 95 95 15935 1 . LYS 96 96 15935 1 . LEU 97 97 15935 1 . VAL 98 98 15935 1 . GLY 99 99 15935 1 . ARG 100 100 15935 1 . PRO 101 101 15935 1 . GLU 102 102 15935 1 . MET 103 103 15935 1 . ARG 104 104 15935 1 . LEU 105 105 15935 1 . LYS 106 106 15935 1 . LYS 107 107 15935 1 . ARG 108 108 15935 1 . TRP 109 109 15935 1 . ARG 110 110 15935 1 . LYS 111 111 15935 1 stop_ save_ save_Pfu_Rpp21 _Entity.Sf_category entity _Entity.Sf_framecode Pfu_Rpp21 _Entity.Entry_ID 15935 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Pfu_Rpp21 _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 ; AKYNEKKEKKRIVKERIDIL FSLAERVFPYSPELAKRYVE LALLVQQKAKVKIPRKWKRR YCKKCHAFLVPGINARVRLR QKRMPHIVVKCLECGHIMRY PYIKEIKKRRKEKMEYGGLV PR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-127 are from Pfu Rpp29. Residues 301-422 are from Pfu Rpp21' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Pfu Rpp29d17-Rpp21' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28159.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The formula mass is calculated by ProPram on unlabeled proteins without Zn.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'RNase P proteins' 15935 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 1 302 ALA . 15935 2 2 303 LYS . 15935 2 3 304 TYR . 15935 2 4 305 ASN . 15935 2 5 306 GLU . 15935 2 6 307 LYS . 15935 2 7 308 LYS . 15935 2 8 309 GLU . 15935 2 9 310 LYS . 15935 2 10 311 LYS . 15935 2 11 312 ARG . 15935 2 12 313 ILE . 15935 2 13 314 VAL . 15935 2 14 315 LYS . 15935 2 15 316 GLU . 15935 2 16 317 ARG . 15935 2 17 318 ILE . 15935 2 18 319 ASP . 15935 2 19 320 ILE . 15935 2 20 321 LEU . 15935 2 21 322 PHE . 15935 2 22 323 SER . 15935 2 23 324 LEU . 15935 2 24 325 ALA . 15935 2 25 326 GLU . 15935 2 26 327 ARG . 15935 2 27 328 VAL . 15935 2 28 329 PHE . 15935 2 29 330 PRO . 15935 2 30 331 TYR . 15935 2 31 332 SER . 15935 2 32 333 PRO . 15935 2 33 334 GLU . 15935 2 34 335 LEU . 15935 2 35 336 ALA . 15935 2 36 337 LYS . 15935 2 37 338 ARG . 15935 2 38 339 TYR . 15935 2 39 340 VAL . 15935 2 40 341 GLU . 15935 2 41 342 LEU . 15935 2 42 343 ALA . 15935 2 43 344 LEU . 15935 2 44 345 LEU . 15935 2 45 346 VAL . 15935 2 46 347 GLN . 15935 2 47 348 GLN . 15935 2 48 349 LYS . 15935 2 49 350 ALA . 15935 2 50 351 LYS . 15935 2 51 352 VAL . 15935 2 52 353 LYS . 15935 2 53 354 ILE . 15935 2 54 355 PRO . 15935 2 55 356 ARG . 15935 2 56 357 LYS . 15935 2 57 358 TRP . 15935 2 58 359 LYS . 15935 2 59 360 ARG . 15935 2 60 361 ARG . 15935 2 61 362 TYR . 15935 2 62 363 CYS . 15935 2 63 364 LYS . 15935 2 64 365 LYS . 15935 2 65 366 CYS . 15935 2 66 367 HIS . 15935 2 67 368 ALA . 15935 2 68 369 PHE . 15935 2 69 370 LEU . 15935 2 70 371 VAL . 15935 2 71 372 PRO . 15935 2 72 373 GLY . 15935 2 73 374 ILE . 15935 2 74 375 ASN . 15935 2 75 376 ALA . 15935 2 76 377 ARG . 15935 2 77 378 VAL . 15935 2 78 379 ARG . 15935 2 79 380 LEU . 15935 2 80 381 ARG . 15935 2 81 382 GLN . 15935 2 82 383 LYS . 15935 2 83 384 ARG . 15935 2 84 385 MET . 15935 2 85 386 PRO . 15935 2 86 387 HIS . 15935 2 87 388 ILE . 15935 2 88 389 VAL . 15935 2 89 390 VAL . 15935 2 90 391 LYS . 15935 2 91 392 CYS . 15935 2 92 393 LEU . 15935 2 93 394 GLU . 15935 2 94 395 CYS . 15935 2 95 396 GLY . 15935 2 96 397 HIS . 15935 2 97 398 ILE . 15935 2 98 399 MET . 15935 2 99 400 ARG . 15935 2 100 401 TYR . 15935 2 101 402 PRO . 15935 2 102 403 TYR . 15935 2 103 404 ILE . 15935 2 104 405 LYS . 15935 2 105 406 GLU . 15935 2 106 407 ILE . 15935 2 107 408 LYS . 15935 2 108 409 LYS . 15935 2 109 410 ARG . 15935 2 110 411 ARG . 15935 2 111 412 LYS . 15935 2 112 413 GLU . 15935 2 113 414 LYS . 15935 2 114 415 MET . 15935 2 115 416 GLU . 15935 2 116 417 TYR . 15935 2 117 418 GLY . 15935 2 118 419 GLY . 15935 2 119 420 LEU . 15935 2 120 421 VAL . 15935 2 121 422 PRO . 15935 2 122 423 ARG . 15935 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 15935 2 . LYS 2 2 15935 2 . TYR 3 3 15935 2 . ASN 4 4 15935 2 . GLU 5 5 15935 2 . LYS 6 6 15935 2 . LYS 7 7 15935 2 . GLU 8 8 15935 2 . LYS 9 9 15935 2 . LYS 10 10 15935 2 . ARG 11 11 15935 2 . ILE 12 12 15935 2 . VAL 13 13 15935 2 . LYS 14 14 15935 2 . GLU 15 15 15935 2 . ARG 16 16 15935 2 . ILE 17 17 15935 2 . ASP 18 18 15935 2 . ILE 19 19 15935 2 . LEU 20 20 15935 2 . PHE 21 21 15935 2 . SER 22 22 15935 2 . LEU 23 23 15935 2 . ALA 24 24 15935 2 . GLU 25 25 15935 2 . ARG 26 26 15935 2 . VAL 27 27 15935 2 . PHE 28 28 15935 2 . PRO 29 29 15935 2 . TYR 30 30 15935 2 . SER 31 31 15935 2 . PRO 32 32 15935 2 . GLU 33 33 15935 2 . LEU 34 34 15935 2 . ALA 35 35 15935 2 . LYS 36 36 15935 2 . ARG 37 37 15935 2 . TYR 38 38 15935 2 . VAL 39 39 15935 2 . GLU 40 40 15935 2 . LEU 41 41 15935 2 . ALA 42 42 15935 2 . LEU 43 43 15935 2 . LEU 44 44 15935 2 . VAL 45 45 15935 2 . GLN 46 46 15935 2 . GLN 47 47 15935 2 . LYS 48 48 15935 2 . ALA 49 49 15935 2 . LYS 50 50 15935 2 . VAL 51 51 15935 2 . LYS 52 52 15935 2 . ILE 53 53 15935 2 . PRO 54 54 15935 2 . ARG 55 55 15935 2 . LYS 56 56 15935 2 . TRP 57 57 15935 2 . LYS 58 58 15935 2 . ARG 59 59 15935 2 . ARG 60 60 15935 2 . TYR 61 61 15935 2 . CYS 62 62 15935 2 . LYS 63 63 15935 2 . LYS 64 64 15935 2 . CYS 65 65 15935 2 . HIS 66 66 15935 2 . ALA 67 67 15935 2 . PHE 68 68 15935 2 . LEU 69 69 15935 2 . VAL 70 70 15935 2 . PRO 71 71 15935 2 . GLY 72 72 15935 2 . ILE 73 73 15935 2 . ASN 74 74 15935 2 . ALA 75 75 15935 2 . ARG 76 76 15935 2 . VAL 77 77 15935 2 . ARG 78 78 15935 2 . LEU 79 79 15935 2 . ARG 80 80 15935 2 . GLN 81 81 15935 2 . LYS 82 82 15935 2 . ARG 83 83 15935 2 . MET 84 84 15935 2 . PRO 85 85 15935 2 . HIS 86 86 15935 2 . ILE 87 87 15935 2 . VAL 88 88 15935 2 . VAL 89 89 15935 2 . LYS 90 90 15935 2 . CYS 91 91 15935 2 . LEU 92 92 15935 2 . GLU 93 93 15935 2 . CYS 94 94 15935 2 . GLY 95 95 15935 2 . HIS 96 96 15935 2 . ILE 97 97 15935 2 . MET 98 98 15935 2 . ARG 99 99 15935 2 . TYR 100 100 15935 2 . PRO 101 101 15935 2 . TYR 102 102 15935 2 . ILE 103 103 15935 2 . LYS 104 104 15935 2 . GLU 105 105 15935 2 . ILE 106 106 15935 2 . LYS 107 107 15935 2 . LYS 108 108 15935 2 . ARG 109 109 15935 2 . ARG 110 110 15935 2 . LYS 111 111 15935 2 . GLU 112 112 15935 2 . LYS 113 113 15935 2 . MET 114 114 15935 2 . GLU 115 115 15935 2 . TYR 116 116 15935 2 . GLY 117 117 15935 2 . GLY 118 118 15935 2 . LEU 119 119 15935 2 . VAL 120 120 15935 2 . PRO 121 121 15935 2 . ARG 122 122 15935 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15935 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 15935 3 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 15935 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 2 $Pfu_Rpp21 . 186497 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus 'DSM 3638' . . . . . . . . . . PF1613 . 15935 1 2 1 $Pfu_Rpp29 . 186497 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus 'DSM 3638' . . . . . . . . . . PF1816 . 15935 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 15935 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 2 $Pfu_Rpp21 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) Rosetta' . . . . . pET-33b . . . 15935 1 2 1 $Pfu_Rpp29 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) Rosetta' . . . . . pET-33b . . . 15935 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15935 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:15:13 2012 ; _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 InChI=1S/Zn/q+2 InChI InChI 1.03 15935 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 15935 ZN [Zn++] SMILES CACTVS 3.341 15935 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15935 ZN [Zn+2] SMILES ACDLabs 10.04 15935 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15935 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15935 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 15935 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15935 ZN 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 ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 15935 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C-Rpp29_unlabeled_Rpp21 _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-Rpp29_unlabeled_Rpp21 _Sample.Entry_ID 15935 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Rpp29 is 15N, 13C-labeled. Rpp21 is unlabeled.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pfu Rpp29' '[U-95% 13C; U-95% 15N]' . . 1 $Pfu_Rpp29 . . 1-2 . . mM . . . . 15935 1 2 'Pfu Rpp21' 'natural abundance' . . 2 $Pfu_Rpp21 . . 1-2 . . mM . . . . 15935 1 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15935 1 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15935 1 5 ZN 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 15935 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15935 1 7 D2O [U-2H] . . . . . . 10 . . % . . . . 15935 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15935 1 stop_ save_ save_15N_13C-Rpp29_unlabeled_Rpp21_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-Rpp29_unlabeled_Rpp21_in_D2O _Sample.Entry_ID 15935 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Rpp29 is 15N, 13C-labeled. Rpp21 is unlabeled.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pfu Rpp29' '[U-95% 13C; U-95% 15N]' . . 1 $Pfu_Rpp29 . . 1-2 . . mM . . . . 15935 2 2 'Pfu Rpp21' 'natural abundance' . . 2 $Pfu_Rpp21 . . 1-2 . . mM . . . . 15935 2 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15935 2 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15935 2 5 ZN 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 15935 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15935 2 7 D2O [U-2H] . . . . . . 100 . . % . . . . 15935 2 stop_ save_ save_15N_13C-Rpp21_unlabeled_Rpp29 _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-Rpp21_unlabeled_Rpp29 _Sample.Entry_ID 15935 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Rpp21 is 15N, 13C-labeled. Rpp29 is unlabeled.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pfu Rpp21' '[U-95% 13C; U-95% 15N]' . . 2 $Pfu_Rpp21 . . 1-2 . . mM . . . . 15935 3 2 'Pfu Rpp29' 'natural abundance' . . 1 $Pfu_Rpp29 . . 1-2 . . mM . . . . 15935 3 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15935 3 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15935 3 5 ZN 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 15935 3 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15935 3 7 D2O [U-2H] . . . . . . 10 . . % . . . . 15935 3 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15935 3 stop_ save_ save_15N_13C-Rpp21_unlabeled_Rpp29_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-Rpp21_unlabeled_Rpp29_in_D2O _Sample.Entry_ID 15935 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Rpp21 is 15N, 13C-labeled. Rpp29 is unlabeled.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pfu Rpp21' '[U-95% 13C; U-95% 15N]' . . 2 $Pfu_Rpp21 . . 1-2 . . mM . . . . 15935 4 2 'Pfu Rpp29' 'natural abundance' . . 1 $Pfu_Rpp29 . . 1-2 . . mM . . . . 15935 4 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15935 4 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15935 4 5 ZN 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 15935 4 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15935 4 7 D2O [U-2H] . . . . . . 100 . . % . . . . 15935 4 stop_ save_ save_ILV-methyl_1H_15N_13C_2H-Rpp29_unlabeled_Rpp21 _Sample.Sf_category sample _Sample.Sf_framecode ILV-methyl_1H_15N_13C_2H-Rpp29_unlabeled_Rpp21 _Sample.Entry_ID 15935 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Rpp29 is ILV methyl protonated, 15N, 13C, 2H-labeled. Rpp21 is unlabeled.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pfu Rpp29' '[ILV methyl-1H, U-15N, U-13C, 2H]' . . 1 $Pfu_Rpp29 . . 1-2 . . mM . . . . 15935 5 2 'Pfu Rpp21' 'natural abundance' . . 2 $Pfu_Rpp21 . . 1-2 . . mM . . . . 15935 5 3 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15935 5 4 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15935 5 5 ZN 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 15935 5 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15935 5 7 D2O [U-2H] . . . . . . 10 . . % . . . . 15935 5 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15935 5 stop_ save_ save_15N_13C-Rpp29 _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-Rpp29 _Sample.Entry_ID 15935 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pfu Rpp29' '[U-95% 13C; U-95% 15N]' . . 1 $Pfu_Rpp29 . . 1-2 . . mM . . . . 15935 6 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15935 6 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15935 6 4 ZN 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 15935 6 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15935 6 6 D2O [U-2H] . . . . . . 10 . . % . . . . 15935 6 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15935 6 stop_ save_ save_15N_13C-Rpp21 _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C-Rpp21 _Sample.Entry_ID 15935 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Pfu Rpp21' '[U-95% 13C; U-95% 15N]' . . 2 $Pfu_Rpp21 . . 1-2 . . mM . . . . 15935 7 2 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15935 7 3 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 15935 7 4 ZN 'natural abundance' . . 3 $ZN . . 0.3 . . mM . . . . 15935 7 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15935 7 6 D2O [U-2H] . . . . . . 10 . . % . . . . 15935 7 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15935 7 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_H2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_H2O _Sample_condition_list.Entry_ID 15935 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 32.3 . mM 15935 1 pH 6.7 . pH 15935 1 pressure 1 . atm 15935 1 temperature 328 . K 15935 1 stop_ save_ save_sample_conditions_D2O _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_D2O _Sample_condition_list.Entry_ID 15935 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 32.3 . mM 15935 2 pD 7.1 . pH 15935 2 pressure 1 . atm 15935 2 temperature 328 . K 15935 2 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15935 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15935 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15935 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15935 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15935 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15935 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15935 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15935 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15935 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15935 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15935 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15935 4 'peak picking' 15935 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15935 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15935 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15935 5 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 15935 _Software.ID 6 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 15935 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15935 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15935 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15935 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15935 7 refinement 15935 7 'structure solution' 15935 7 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15935 _Software.ID 8 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15935 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15935 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15935 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15935 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15935 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15935 1 2 spectrometer_2 Bruker DRX . 800 . . . 15935 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 15935 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 2 '3D HNCA' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 3 '3D HNCACB' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 6 '3D HCCH-COSY' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N_13C-Rpp29_unlabeled_Rpp21_in_D2O isotropic . . 2 $sample_conditions_D2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 10 '3D Aromatic 1H-13C NOESY' no . . . . . . . . . . 2 $15N_13C-Rpp29_unlabeled_Rpp21_in_D2O isotropic . . 2 $sample_conditions_D2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 11 '3D 13C-filtered/edited NOESY' no . . . . . . . . . . 2 $15N_13C-Rpp29_unlabeled_Rpp21_in_D2O isotropic . . 2 $sample_conditions_D2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 12 '3D H(CCO)NH' no . . . . . . . . . . 5 $ILV-methyl_1H_15N_13C_2H-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 13 '3D C(CO)NH' no . . . . . . . . . . 5 $ILV-methyl_1H_15N_13C_2H-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 14 '3D 15N-edited NCH NOESY' no . . . . . . . . . . 5 $ILV-methyl_1H_15N_13C_2H-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 15 '3D 15N, 13C-edited HNNH, HCNH time shared NOESY' no . . . . . . . . . . 5 $ILV-methyl_1H_15N_13C_2H-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $15N_13C-Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N_13C-Rpp29_unlabeled_Rpp21 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 18 '3D HNCO' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 19 '3D HNCA' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 20 '3D HNCACB' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 21 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 22 '3D H(CCO)NH' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 23 '3D C(CO)NH' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 24 '3D HCCH-COSY' no . . . . . . . . . . 4 $15N_13C-Rpp21_unlabeled_Rpp29_in_D2O isotropic . . 2 $sample_conditions_D2O . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15935 1 25 '3D Aromatic 1H-13C NOESY' no . . . . . . . . . . 4 $15N_13C-Rpp21_unlabeled_Rpp29_in_D2O isotropic . . 2 $sample_conditions_D2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 26 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 1 $sample_conditions_H2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 27 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $15N_13C-Rpp21_unlabeled_Rpp29_in_D2O isotropic . . 2 $sample_conditions_D2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 28 '3D 13C-filtered/edited NOESY' no . . . . . . . . . . 3 $15N_13C-Rpp21_unlabeled_Rpp29 isotropic . . 2 $sample_conditions_D2O . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15935 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15935 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15935 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15935 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15935 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 15935 _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_H2O _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 15935 1 3 '3D HNCACB' . . . 15935 1 5 '3D HBHA(CO)NH' . . . 15935 1 6 '3D HCCH-COSY' . . . 15935 1 10 '3D Aromatic 1H-13C NOESY' . . . 15935 1 18 '3D HNCO' . . . 15935 1 20 '3D HNCACB' . . . 15935 1 22 '3D H(CCO)NH' . . . 15935 1 23 '3D C(CO)NH' . . . 15935 1 25 '3D Aromatic 1H-13C NOESY' . . . 15935 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 15935 1 3 $NMRDraw . . 15935 1 4 $NMRView . . 15935 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 TYR HA H 1 4.382 0.02 . 1 . . . . 20 Y HA . 15935 1 2 . 1 1 4 4 TYR HB2 H 1 3.111 0.02 . 2 . . . . 20 Y HB1 . 15935 1 3 . 1 1 4 4 TYR HB3 H 1 2.946 0.02 . 2 . . . . 20 Y HB2 . 15935 1 4 . 1 1 4 4 TYR HD1 H 1 6.913 0.02 . 3 . . . . 20 Y HD1 . 15935 1 5 . 1 1 4 4 TYR HD2 H 1 6.913 0.02 . 3 . . . . 20 Y HD2 . 15935 1 6 . 1 1 4 4 TYR HE1 H 1 6.899 0.02 . 3 . . . . 20 Y HE1 . 15935 1 7 . 1 1 4 4 TYR HE2 H 1 6.899 0.02 . 3 . . . . 20 Y HE2 . 15935 1 8 . 1 1 4 4 TYR C C 13 176.325 0.3 . 1 . . . . 20 Y C . 15935 1 9 . 1 1 4 4 TYR CA C 13 58.052 0.3 . 1 . . . . 20 Y CA . 15935 1 10 . 1 1 4 4 TYR CB C 13 37.556 0.3 . 1 . . . . 20 Y CB . 15935 1 11 . 1 1 4 4 TYR CD1 C 13 132.879 0.3 . 3 . . . . 20 Y CD1 . 15935 1 12 . 1 1 4 4 TYR CD2 C 13 132.879 0.3 . 3 . . . . 20 Y CD2 . 15935 1 13 . 1 1 4 4 TYR CE1 C 13 118.106 0.3 . 3 . . . . 20 Y CE1 . 15935 1 14 . 1 1 4 4 TYR CE2 C 13 118.106 0.3 . 3 . . . . 20 Y CE2 . 15935 1 15 . 1 1 5 5 GLN H H 1 7.953 0.02 . 1 . . . . 21 Q HN . 15935 1 16 . 1 1 5 5 GLN HA H 1 3.865 0.02 . 1 . . . . 21 Q HA . 15935 1 17 . 1 1 5 5 GLN HB2 H 1 2.144 0.02 . 2 . . . . 21 Q HB1 . 15935 1 18 . 1 1 5 5 GLN HB3 H 1 2.095 0.02 . 2 . . . . 21 Q HB2 . 15935 1 19 . 1 1 5 5 GLN HG2 H 1 2.468 0.02 . 2 . . . . 21 Q HG1 . 15935 1 20 . 1 1 5 5 GLN HG3 H 1 2.122 0.02 . 2 . . . . 21 Q HG2 . 15935 1 21 . 1 1 5 5 GLN C C 13 177.890 0.3 . 1 . . . . 21 Q C . 15935 1 22 . 1 1 5 5 GLN CA C 13 58.654 0.3 . 1 . . . . 21 Q CA . 15935 1 23 . 1 1 5 5 GLN CB C 13 28.365 0.3 . 1 . . . . 21 Q CB . 15935 1 24 . 1 1 5 5 GLN CG C 13 36.841 0.3 . 1 . . . . 21 Q CG . 15935 1 25 . 1 1 5 5 GLN N N 15 117.357 0.3 . 1 . . . . 21 Q N . 15935 1 26 . 1 1 6 6 GLU H H 1 9.140 0.02 . 1 . . . . 22 E HN . 15935 1 27 . 1 1 6 6 GLU HA H 1 4.229 0.02 . 1 . . . . 22 E HA . 15935 1 28 . 1 1 6 6 GLU HB2 H 1 2.282 0.02 . 2 . . . . 22 E HB1 . 15935 1 29 . 1 1 6 6 GLU HB3 H 1 2.006 0.02 . 2 . . . . 22 E HB2 . 15935 1 30 . 1 1 6 6 GLU HG2 H 1 2.531 0.02 . 2 . . . . 22 E HG1 . 15935 1 31 . 1 1 6 6 GLU HG3 H 1 2.081 0.02 . 2 . . . . 22 E HG2 . 15935 1 32 . 1 1 6 6 GLU C C 13 176.353 0.3 . 1 . . . . 22 E C . 15935 1 33 . 1 1 6 6 GLU CA C 13 58.350 0.3 . 1 . . . . 22 E CA . 15935 1 34 . 1 1 6 6 GLU CB C 13 29.255 0.3 . 1 . . . . 22 E CB . 15935 1 35 . 1 1 6 6 GLU CG C 13 36.680 0.3 . 1 . . . . 22 E CG . 15935 1 36 . 1 1 6 6 GLU N N 15 117.649 0.3 . 1 . . . . 22 E N . 15935 1 37 . 1 1 7 7 ILE H H 1 7.546 0.02 . 1 . . . . 23 I HN . 15935 1 38 . 1 1 7 7 ILE HA H 1 4.133 0.02 . 1 . . . . 23 I HA . 15935 1 39 . 1 1 7 7 ILE HB H 1 1.983 0.02 . 1 . . . . 23 I HB . 15935 1 40 . 1 1 7 7 ILE HD11 H 1 0.799 0.02 . 1 . . . . 23 I HD11 . 15935 1 41 . 1 1 7 7 ILE HD12 H 1 0.799 0.02 . 1 . . . . 23 I HD11 . 15935 1 42 . 1 1 7 7 ILE HD13 H 1 0.799 0.02 . 1 . . . . 23 I HD11 . 15935 1 43 . 1 1 7 7 ILE HG12 H 1 1.528 0.02 . 2 . . . . 23 I HG11 . 15935 1 44 . 1 1 7 7 ILE HG13 H 1 1.518 0.02 . 2 . . . . 23 I HG12 . 15935 1 45 . 1 1 7 7 ILE HG21 H 1 0.930 0.02 . 1 . . . . 23 I HG21 . 15935 1 46 . 1 1 7 7 ILE HG22 H 1 0.930 0.02 . 1 . . . . 23 I HG21 . 15935 1 47 . 1 1 7 7 ILE HG23 H 1 0.930 0.02 . 1 . . . . 23 I HG21 . 15935 1 48 . 1 1 7 7 ILE C C 13 176.081 0.3 . 1 . . . . 23 I C . 15935 1 49 . 1 1 7 7 ILE CA C 13 58.010 0.3 . 1 . . . . 23 I CA . 15935 1 50 . 1 1 7 7 ILE CB C 13 38.756 0.3 . 1 . . . . 23 I CB . 15935 1 51 . 1 1 7 7 ILE CD1 C 13 12.627 0.3 . 1 . . . . 23 I CD1 . 15935 1 52 . 1 1 7 7 ILE CG1 C 13 28.863 0.3 . 1 . . . . 23 I CG1 . 15935 1 53 . 1 1 7 7 ILE CG2 C 13 19.998 0.3 . 1 . . . . 23 I CG2 . 15935 1 54 . 1 1 7 7 ILE N N 15 113.901 0.3 . 1 . . . . 23 I N . 15935 1 55 . 1 1 8 8 ILE H H 1 7.178 0.02 . 1 . . . . 24 I HN . 15935 1 56 . 1 1 8 8 ILE HA H 1 3.706 0.02 . 1 . . . . 24 I HA . 15935 1 57 . 1 1 8 8 ILE HB H 1 1.884 0.02 . 1 . . . . 24 I HB . 15935 1 58 . 1 1 8 8 ILE HD11 H 1 0.796 0.02 . 1 . . . . 24 I HD11 . 15935 1 59 . 1 1 8 8 ILE HD12 H 1 0.796 0.02 . 1 . . . . 24 I HD11 . 15935 1 60 . 1 1 8 8 ILE HD13 H 1 0.796 0.02 . 1 . . . . 24 I HD11 . 15935 1 61 . 1 1 8 8 ILE HG12 H 1 1.623 0.02 . 2 . . . . 24 I HG11 . 15935 1 62 . 1 1 8 8 ILE HG13 H 1 1.621 0.02 . 2 . . . . 24 I HG12 . 15935 1 63 . 1 1 8 8 ILE HG21 H 1 0.929 0.02 . 1 . . . . 24 I HG21 . 15935 1 64 . 1 1 8 8 ILE HG22 H 1 0.929 0.02 . 1 . . . . 24 I HG21 . 15935 1 65 . 1 1 8 8 ILE HG23 H 1 0.929 0.02 . 1 . . . . 24 I HG21 . 15935 1 66 . 1 1 8 8 ILE C C 13 177.832 0.3 . 1 . . . . 24 I C . 15935 1 67 . 1 1 8 8 ILE CA C 13 63.404 0.3 . 1 . . . . 24 I CA . 15935 1 68 . 1 1 8 8 ILE CB C 13 36.535 0.3 . 1 . . . . 24 I CB . 15935 1 69 . 1 1 8 8 ILE CD1 C 13 12.347 0.3 . 1 . . . . 24 I CD1 . 15935 1 70 . 1 1 8 8 ILE CG1 C 13 27.180 0.3 . 1 . . . . 24 I CG1 . 15935 1 71 . 1 1 8 8 ILE CG2 C 13 19.756 0.3 . 1 . . . . 24 I CG2 . 15935 1 72 . 1 1 8 8 ILE N N 15 122.296 0.3 . 1 . . . . 24 I N . 15935 1 73 . 1 1 9 9 GLY H H 1 8.575 0.02 . 1 . . . . 25 G HN . 15935 1 74 . 1 1 9 9 GLY HA2 H 1 4.319 0.02 . 2 . . . . 25 G HA1 . 15935 1 75 . 1 1 9 9 GLY HA3 H 1 4.111 0.02 . 2 . . . . 25 G HA2 . 15935 1 76 . 1 1 9 9 GLY C C 13 175.319 0.3 . 1 . . . . 25 G C . 15935 1 77 . 1 1 9 9 GLY CA C 13 45.587 0.3 . 1 . . . . 25 G CA . 15935 1 78 . 1 1 9 9 GLY N N 15 115.536 0.3 . 1 . . . . 25 G N . 15935 1 79 . 1 1 10 10 ARG H H 1 8.239 0.02 . 1 . . . . 26 R HN . 15935 1 80 . 1 1 10 10 ARG HA H 1 4.419 0.02 . 1 . . . . 26 R HA . 15935 1 81 . 1 1 10 10 ARG HB2 H 1 1.282 0.02 . 2 . . . . 26 R HB1 . 15935 1 82 . 1 1 10 10 ARG HB3 H 1 1.105 0.02 . 2 . . . . 26 R HB2 . 15935 1 83 . 1 1 10 10 ARG HD2 H 1 2.596 0.02 . 2 . . . . 26 R HD1 . 15935 1 84 . 1 1 10 10 ARG HD3 H 1 2.481 0.02 . 2 . . . . 26 R HD2 . 15935 1 85 . 1 1 10 10 ARG HG2 H 1 1.120 0.02 . 2 . . . . 26 R HG1 . 15935 1 86 . 1 1 10 10 ARG HG3 H 1 1.121 0.02 . 2 . . . . 26 R HG2 . 15935 1 87 . 1 1 10 10 ARG C C 13 175.937 0.3 . 1 . . . . 26 R C . 15935 1 88 . 1 1 10 10 ARG CA C 13 54.204 0.3 . 1 . . . . 26 R CA . 15935 1 89 . 1 1 10 10 ARG CB C 13 29.557 0.3 . 1 . . . . 26 R CB . 15935 1 90 . 1 1 10 10 ARG CD C 13 43.212 0.3 . 1 . . . . 26 R CD . 15935 1 91 . 1 1 10 10 ARG CG C 13 26.291 0.3 . 1 . . . . 26 R CG . 15935 1 92 . 1 1 10 10 ARG N N 15 119.717 0.3 . 1 . . . . 26 R N . 15935 1 93 . 1 1 11 11 THR H H 1 7.889 0.02 . 1 . . . . 27 T HN . 15935 1 94 . 1 1 11 11 THR HA H 1 3.764 0.02 . 1 . . . . 27 T HA . 15935 1 95 . 1 1 11 11 THR HB H 1 4.508 0.02 . 1 . . . . 27 T HB . 15935 1 96 . 1 1 11 11 THR HG21 H 1 1.369 0.02 . 1 . . . . 27 T HG21 . 15935 1 97 . 1 1 11 11 THR HG22 H 1 1.369 0.02 . 1 . . . . 27 T HG21 . 15935 1 98 . 1 1 11 11 THR HG23 H 1 1.369 0.02 . 1 . . . . 27 T HG21 . 15935 1 99 . 1 1 11 11 THR C C 13 175.205 0.3 . 1 . . . . 27 T C . 15935 1 100 . 1 1 11 11 THR CA C 13 64.862 0.3 . 1 . . . . 27 T CA . 15935 1 101 . 1 1 11 11 THR CB C 13 68.439 0.3 . 1 . . . . 27 T CB . 15935 1 102 . 1 1 11 11 THR CG2 C 13 23.314 0.3 . 1 . . . . 27 T CG2 . 15935 1 103 . 1 1 11 11 THR N N 15 109.199 0.3 . 1 . . . . 27 T N . 15935 1 104 . 1 1 12 12 TRP H H 1 7.381 0.02 . 1 . . . . 28 W HN . 15935 1 105 . 1 1 12 12 TRP HA H 1 4.395 0.02 . 1 . . . . 28 W HA . 15935 1 106 . 1 1 12 12 TRP HB2 H 1 3.327 0.02 . 2 . . . . 28 W HB1 . 15935 1 107 . 1 1 12 12 TRP HB3 H 1 3.563 0.02 . 2 . . . . 28 W HB2 . 15935 1 108 . 1 1 12 12 TRP HD1 H 1 7.464 0.02 . 1 . . . . 28 W HD1 . 15935 1 109 . 1 1 12 12 TRP HE3 H 1 7.373 0.02 . 1 . . . . 28 W HE3 . 15935 1 110 . 1 1 12 12 TRP HH2 H 1 7.361 0.02 . 1 . . . . 28 W HH2 . 15935 1 111 . 1 1 12 12 TRP HZ2 H 1 7.349 0.02 . 1 . . . . 28 W HZ2 . 15935 1 112 . 1 1 12 12 TRP HZ3 H 1 7.197 0.02 . 1 . . . . 28 W HZ3 . 15935 1 113 . 1 1 12 12 TRP C C 13 178.522 0.3 . 1 . . . . 28 W C . 15935 1 114 . 1 1 12 12 TRP CA C 13 57.758 0.3 . 1 . . . . 28 W CA . 15935 1 115 . 1 1 12 12 TRP CB C 13 27.476 0.3 . 1 . . . . 28 W CB . 15935 1 116 . 1 1 12 12 TRP CD1 C 13 127.445 0.3 . 1 . . . . 28 W CD1 . 15935 1 117 . 1 1 12 12 TRP CE3 C 13 120.789 0.3 . 1 . . . . 28 W CE3 . 15935 1 118 . 1 1 12 12 TRP CH2 C 13 124.039 0.3 . 1 . . . . 28 W CH2 . 15935 1 119 . 1 1 12 12 TRP CZ2 C 13 114.437 0.3 . 1 . . . . 28 W CZ2 . 15935 1 120 . 1 1 12 12 TRP CZ3 C 13 122.746 0.3 . 1 . . . . 28 W CZ3 . 15935 1 121 . 1 1 12 12 TRP N N 15 119.986 0.3 . 1 . . . . 28 W N . 15935 1 122 . 1 1 13 13 ILE H H 1 6.798 0.02 . 1 . . . . 29 I HN . 15935 1 123 . 1 1 13 13 ILE HA H 1 3.569 0.02 . 1 . . . . 29 I HA . 15935 1 124 . 1 1 13 13 ILE HB H 1 1.247 0.02 . 1 . . . . 29 I HB . 15935 1 125 . 1 1 13 13 ILE HD11 H 1 0.336 0.02 . 1 . . . . 29 I HD11 . 15935 1 126 . 1 1 13 13 ILE HD12 H 1 0.336 0.02 . 1 . . . . 29 I HD11 . 15935 1 127 . 1 1 13 13 ILE HD13 H 1 0.336 0.02 . 1 . . . . 29 I HD11 . 15935 1 128 . 1 1 13 13 ILE HG12 H 1 0.205 0.02 . 2 . . . . 29 I HG11 . 15935 1 129 . 1 1 13 13 ILE HG13 H 1 0.205 0.02 . 2 . . . . 29 I HG12 . 15935 1 130 . 1 1 13 13 ILE HG21 H 1 -0.066 0.02 . 1 . . . . 29 I HG21 . 15935 1 131 . 1 1 13 13 ILE HG22 H 1 -0.066 0.02 . 1 . . . . 29 I HG21 . 15935 1 132 . 1 1 13 13 ILE HG23 H 1 -0.066 0.02 . 1 . . . . 29 I HG21 . 15935 1 133 . 1 1 13 13 ILE C C 13 175.951 0.3 . 1 . . . . 29 I C . 15935 1 134 . 1 1 13 13 ILE CA C 13 63.693 0.3 . 1 . . . . 29 I CA . 15935 1 135 . 1 1 13 13 ILE CB C 13 37.570 0.3 . 1 . . . . 29 I CB . 15935 1 136 . 1 1 13 13 ILE CD1 C 13 14.713 0.3 . 1 . . . . 29 I CD1 . 15935 1 137 . 1 1 13 13 ILE CG1 C 13 25.108 0.3 . 1 . . . . 29 I CG1 . 15935 1 138 . 1 1 13 13 ILE CG2 C 13 15.898 0.3 . 1 . . . . 29 I CG2 . 15935 1 139 . 1 1 13 13 ILE N N 15 119.830 0.3 . 1 . . . . 29 I N . 15935 1 140 . 1 1 14 14 PHE H H 1 7.288 0.02 . 1 . . . . 30 F HN . 15935 1 141 . 1 1 14 14 PHE HA H 1 3.860 0.02 . 1 . . . . 30 F HA . 15935 1 142 . 1 1 14 14 PHE HB2 H 1 2.530 0.02 . 2 . . . . 30 F HB1 . 15935 1 143 . 1 1 14 14 PHE HB3 H 1 1.982 0.02 . 2 . . . . 30 F HB2 . 15935 1 144 . 1 1 14 14 PHE HD1 H 1 7.132 0.02 . 3 . . . . 30 F HD1 . 15935 1 145 . 1 1 14 14 PHE HD2 H 1 7.132 0.02 . 3 . . . . 30 F HD2 . 15935 1 146 . 1 1 14 14 PHE HE1 H 1 6.961 0.02 . 3 . . . . 30 F HE1 . 15935 1 147 . 1 1 14 14 PHE HE2 H 1 6.961 0.02 . 3 . . . . 30 F HE2 . 15935 1 148 . 1 1 14 14 PHE C C 13 177.014 0.3 . 1 . . . . 30 F C . 15935 1 149 . 1 1 14 14 PHE CA C 13 59.238 0.3 . 1 . . . . 30 F CA . 15935 1 150 . 1 1 14 14 PHE CB C 13 38.749 0.3 . 1 . . . . 30 F CB . 15935 1 151 . 1 1 14 14 PHE CD1 C 13 133.204 0.3 . 3 . . . . 30 F CD1 . 15935 1 152 . 1 1 14 14 PHE CD2 C 13 133.204 0.3 . 3 . . . . 30 F CD2 . 15935 1 153 . 1 1 14 14 PHE CE1 C 13 130.835 0.3 . 3 . . . . 30 F CE1 . 15935 1 154 . 1 1 14 14 PHE CE2 C 13 130.835 0.3 . 3 . . . . 30 F CE2 . 15935 1 155 . 1 1 14 14 PHE N N 15 116.557 0.3 . 1 . . . . 30 F N . 15935 1 156 . 1 1 15 15 ARG H H 1 7.362 0.02 . 1 . . . . 31 R HN . 15935 1 157 . 1 1 15 15 ARG HA H 1 4.236 0.02 . 1 . . . . 31 R HA . 15935 1 158 . 1 1 15 15 ARG HB2 H 1 1.998 0.02 . 2 . . . . 31 R HB1 . 15935 1 159 . 1 1 15 15 ARG HB3 H 1 2.141 0.02 . 2 . . . . 31 R HB2 . 15935 1 160 . 1 1 15 15 ARG HD2 H 1 3.394 0.02 . 2 . . . . 31 R HD1 . 15935 1 161 . 1 1 15 15 ARG HG2 H 1 1.817 0.02 . 2 . . . . 31 R HG1 . 15935 1 162 . 1 1 15 15 ARG CA C 13 58.647 0.3 . 1 . . . . 31 R CA . 15935 1 163 . 1 1 15 15 ARG CB C 13 29.836 0.3 . 1 . . . . 31 R CB . 15935 1 164 . 1 1 15 15 ARG N N 15 122.181 0.3 . 1 . . . . 31 R N . 15935 1 165 . 1 1 16 16 GLY HA2 H 1 4.233 0.02 . 2 . . . . 32 G HA1 . 15935 1 166 . 1 1 16 16 GLY HA3 H 1 3.593 0.02 . 2 . . . . 32 G HA2 . 15935 1 167 . 1 1 16 16 GLY C C 13 177.229 0.3 . 1 . . . . 32 G C . 15935 1 168 . 1 1 16 16 GLY CA C 13 45.690 0.3 . 1 . . . . 32 G CA . 15935 1 169 . 1 1 17 17 ALA H H 1 7.481 0.02 . 1 . . . . 33 A HN . 15935 1 170 . 1 1 17 17 ALA HA H 1 4.150 0.02 . 1 . . . . 33 A HA . 15935 1 171 . 1 1 17 17 ALA HB1 H 1 1.330 0.02 . 1 . . . . 33 A HB1 . 15935 1 172 . 1 1 17 17 ALA HB2 H 1 1.330 0.02 . 1 . . . . 33 A HB1 . 15935 1 173 . 1 1 17 17 ALA HB3 H 1 1.330 0.02 . 1 . . . . 33 A HB1 . 15935 1 174 . 1 1 17 17 ALA C C 13 176.669 0.3 . 1 . . . . 33 A C . 15935 1 175 . 1 1 17 17 ALA CA C 13 54.204 0.3 . 1 . . . . 33 A CA . 15935 1 176 . 1 1 17 17 ALA CB C 13 19.331 0.3 . 1 . . . . 33 A CB . 15935 1 177 . 1 1 17 17 ALA N N 15 122.188 0.3 . 1 . . . . 33 A N . 15935 1 178 . 1 1 18 18 HIS H H 1 8.759 0.02 . 1 . . . . 34 H HN . 15935 1 179 . 1 1 18 18 HIS HA H 1 4.488 0.02 . 1 . . . . 34 H HA . 15935 1 180 . 1 1 18 18 HIS HB2 H 1 3.396 0.02 . 2 . . . . 34 H HB1 . 15935 1 181 . 1 1 18 18 HIS HB3 H 1 2.748 0.02 . 2 . . . . 34 H HB2 . 15935 1 182 . 1 1 18 18 HIS HD2 H 1 7.694 0.02 . 1 . . . . 34 H HD2 . 15935 1 183 . 1 1 18 18 HIS C C 13 175.750 0.3 . 1 . . . . 34 H C . 15935 1 184 . 1 1 18 18 HIS CA C 13 55.111 0.3 . 1 . . . . 34 H CA . 15935 1 185 . 1 1 18 18 HIS CB C 13 31.043 0.3 . 1 . . . . 34 H CB . 15935 1 186 . 1 1 18 18 HIS CD2 C 13 120.184 0.3 . 1 . . . . 34 H CD2 . 15935 1 187 . 1 1 18 18 HIS N N 15 119.012 0.3 . 1 . . . . 34 H N . 15935 1 188 . 1 1 19 19 ARG H H 1 8.027 0.02 . 1 . . . . 35 R HN . 15935 1 189 . 1 1 19 19 ARG HA H 1 4.676 0.02 . 1 . . . . 35 R HA . 15935 1 190 . 1 1 19 19 ARG HB2 H 1 1.362 0.02 . 2 . . . . 35 R HB1 . 15935 1 191 . 1 1 19 19 ARG HB3 H 1 1.355 0.02 . 2 . . . . 35 R HB2 . 15935 1 192 . 1 1 19 19 ARG HD2 H 1 2.745 0.02 . 2 . . . . 35 R HD1 . 15935 1 193 . 1 1 19 19 ARG HD3 H 1 2.427 0.02 . 2 . . . . 35 R HD2 . 15935 1 194 . 1 1 19 19 ARG HG2 H 1 1.193 0.02 . 2 . . . . 35 R HG1 . 15935 1 195 . 1 1 19 19 ARG HG3 H 1 1.139 0.02 . 2 . . . . 35 R HG2 . 15935 1 196 . 1 1 19 19 ARG C C 13 177.545 0.3 . 1 . . . . 35 R C . 15935 1 197 . 1 1 19 19 ARG CA C 13 53.904 0.3 . 1 . . . . 35 R CA . 15935 1 198 . 1 1 19 19 ARG CB C 13 28.666 0.3 . 1 . . . . 35 R CB . 15935 1 199 . 1 1 19 19 ARG CD C 13 43.534 0.3 . 1 . . . . 35 R CD . 15935 1 200 . 1 1 19 19 ARG CG C 13 27.342 0.3 . 1 . . . . 35 R CG . 15935 1 201 . 1 1 19 19 ARG N N 15 127.682 0.3 . 1 . . . . 35 R N . 15935 1 202 . 1 1 20 20 GLY H H 1 9.286 0.02 . 1 . . . . 36 G HN . 15935 1 203 . 1 1 20 20 GLY HA2 H 1 4.233 0.02 . 2 . . . . 36 G HA1 . 15935 1 204 . 1 1 20 20 GLY HA3 H 1 3.203 0.02 . 2 . . . . 36 G HA2 . 15935 1 205 . 1 1 20 20 GLY C C 13 173.629 0.3 . 1 . . . . 36 G C . 15935 1 206 . 1 1 20 20 GLY CA C 13 45.590 0.3 . 1 . . . . 36 G CA . 15935 1 207 . 1 1 20 20 GLY N N 15 109.523 0.3 . 1 . . . . 36 G N . 15935 1 208 . 1 1 21 21 ARG H H 1 9.419 0.02 . 1 . . . . 37 R HN . 15935 1 209 . 1 1 21 21 ARG HA H 1 4.658 0.02 . 1 . . . . 37 R HA . 15935 1 210 . 1 1 21 21 ARG HB2 H 1 2.053 0.02 . 2 . . . . 37 R HB1 . 15935 1 211 . 1 1 21 21 ARG HB3 H 1 1.711 0.02 . 2 . . . . 37 R HB2 . 15935 1 212 . 1 1 21 21 ARG HD2 H 1 3.061 0.02 . 2 . . . . 37 R HD1 . 15935 1 213 . 1 1 21 21 ARG HD3 H 1 2.972 0.02 . 2 . . . . 37 R HD2 . 15935 1 214 . 1 1 21 21 ARG HG2 H 1 1.745 0.02 . 2 . . . . 37 R HG1 . 15935 1 215 . 1 1 21 21 ARG HG3 H 1 1.735 0.02 . 2 . . . . 37 R HG2 . 15935 1 216 . 1 1 21 21 ARG C C 13 175.032 0.3 . 1 . . . . 37 R C . 15935 1 217 . 1 1 21 21 ARG CA C 13 55.675 0.3 . 1 . . . . 37 R CA . 15935 1 218 . 1 1 21 21 ARG CB C 13 28.362 0.3 . 1 . . . . 37 R CB . 15935 1 219 . 1 1 21 21 ARG CD C 13 42.482 0.3 . 1 . . . . 37 R CD . 15935 1 220 . 1 1 21 21 ARG CG C 13 30.014 0.3 . 1 . . . . 37 R CG . 15935 1 221 . 1 1 21 21 ARG N N 15 127.100 0.3 . 1 . . . . 37 R N . 15935 1 222 . 1 1 22 22 VAL H H 1 7.623 0.02 . 1 . . . . 38 V HN . 15935 1 223 . 1 1 22 22 VAL HA H 1 4.599 0.02 . 1 . . . . 38 V HA . 15935 1 224 . 1 1 22 22 VAL HB H 1 1.587 0.02 . 1 . . . . 38 V HB . 15935 1 225 . 1 1 22 22 VAL HG11 H 1 0.648 0.02 . 2 . . . . 38 V HG11 . 15935 1 226 . 1 1 22 22 VAL HG12 H 1 0.648 0.02 . 2 . . . . 38 V HG11 . 15935 1 227 . 1 1 22 22 VAL HG13 H 1 0.648 0.02 . 2 . . . . 38 V HG11 . 15935 1 228 . 1 1 22 22 VAL HG21 H 1 0.342 0.02 . 2 . . . . 38 V HG21 . 15935 1 229 . 1 1 22 22 VAL HG22 H 1 0.342 0.02 . 2 . . . . 38 V HG21 . 15935 1 230 . 1 1 22 22 VAL HG23 H 1 0.342 0.02 . 2 . . . . 38 V HG21 . 15935 1 231 . 1 1 22 22 VAL C C 13 174.357 0.3 . 1 . . . . 38 V C . 15935 1 232 . 1 1 22 22 VAL CA C 13 59.841 0.3 . 1 . . . . 38 V CA . 15935 1 233 . 1 1 22 22 VAL CB C 13 33.410 0.3 . 1 . . . . 38 V CB . 15935 1 234 . 1 1 22 22 VAL CG1 C 13 21.837 0.3 . 2 . . . . 38 V CG1 . 15935 1 235 . 1 1 22 22 VAL CG2 C 13 20.651 0.3 . 2 . . . . 38 V CG2 . 15935 1 236 . 1 1 22 22 VAL N N 15 126.323 0.3 . 1 . . . . 38 V N . 15935 1 237 . 1 1 23 23 ASN H H 1 8.976 0.02 . 1 . . . . 39 N HN . 15935 1 238 . 1 1 23 23 ASN HA H 1 4.686 0.02 . 1 . . . . 39 N HA . 15935 1 239 . 1 1 23 23 ASN HB2 H 1 2.859 0.02 . 2 . . . . 39 N HB1 . 15935 1 240 . 1 1 23 23 ASN HB3 H 1 3.154 0.02 . 2 . . . . 39 N HB2 . 15935 1 241 . 1 1 23 23 ASN CA C 13 51.528 0.3 . 1 . . . . 39 N CA . 15935 1 242 . 1 1 23 23 ASN CB C 13 40.835 0.3 . 1 . . . . 39 N CB . 15935 1 243 . 1 1 23 23 ASN N N 15 123.125 0.3 . 1 . . . . 39 N N . 15935 1 244 . 1 1 24 24 LYS HA H 1 3.862 0.02 . 1 . . . . 40 K HA . 15935 1 245 . 1 1 24 24 LYS HB2 H 1 1.941 0.02 . 2 . . . . 40 K HB1 . 15935 1 246 . 1 1 24 24 LYS HB3 H 1 1.852 0.02 . 2 . . . . 40 K HB2 . 15935 1 247 . 1 1 24 24 LYS HD2 H 1 1.755 0.02 . 2 . . . . 40 K HD1 . 15935 1 248 . 1 1 24 24 LYS HD3 H 1 1.675 0.02 . 2 . . . . 40 K HD2 . 15935 1 249 . 1 1 24 24 LYS HE2 H 1 3.088 0.02 . 2 . . . . 40 K HE1 . 15935 1 250 . 1 1 24 24 LYS HE3 H 1 2.907 0.02 . 2 . . . . 40 K HE2 . 15935 1 251 . 1 1 24 24 LYS HG2 H 1 1.567 0.02 . 2 . . . . 40 K HG1 . 15935 1 252 . 1 1 24 24 LYS HG3 H 1 1.408 0.02 . 2 . . . . 40 K HG2 . 15935 1 253 . 1 1 24 24 LYS C C 13 176.066 0.3 . 1 . . . . 40 K C . 15935 1 254 . 1 1 24 24 LYS CA C 13 58.946 0.3 . 1 . . . . 40 K CA . 15935 1 255 . 1 1 24 24 LYS CB C 13 32.205 0.3 . 1 . . . . 40 K CB . 15935 1 256 . 1 1 24 24 LYS CD C 13 29.717 0.3 . 1 . . . . 40 K CD . 15935 1 257 . 1 1 24 24 LYS CE C 13 42.023 0.3 . 1 . . . . 40 K CE . 15935 1 258 . 1 1 24 24 LYS CG C 13 24.814 0.3 . 1 . . . . 40 K CG . 15935 1 259 . 1 1 25 25 LYS H H 1 7.845 0.02 . 1 . . . . 41 K HN . 15935 1 260 . 1 1 25 25 LYS HA H 1 4.121 0.02 . 1 . . . . 41 K HA . 15935 1 261 . 1 1 25 25 LYS HB2 H 1 1.635 0.02 . 2 . . . . 41 K HB1 . 15935 1 262 . 1 1 25 25 LYS HB3 H 1 1.686 0.02 . 2 . . . . 41 K HB2 . 15935 1 263 . 1 1 25 25 LYS HD2 H 1 1.775 0.02 . 2 . . . . 41 K HD1 . 15935 1 264 . 1 1 25 25 LYS HD3 H 1 1.776 0.02 . 2 . . . . 41 K HD2 . 15935 1 265 . 1 1 25 25 LYS HE2 H 1 3.061 0.02 . 2 . . . . 41 K HE1 . 15935 1 266 . 1 1 25 25 LYS HE3 H 1 2.982 0.02 . 2 . . . . 41 K HE2 . 15935 1 267 . 1 1 25 25 LYS HG2 H 1 1.187 0.02 . 2 . . . . 41 K HG1 . 15935 1 268 . 1 1 25 25 LYS HG3 H 1 1.087 0.02 . 2 . . . . 41 K HG2 . 15935 1 269 . 1 1 25 25 LYS C C 13 177.272 0.3 . 1 . . . . 41 K C . 15935 1 270 . 1 1 25 25 LYS CA C 13 57.458 0.3 . 1 . . . . 41 K CA . 15935 1 271 . 1 1 25 25 LYS CB C 13 32.525 0.3 . 1 . . . . 41 K CB . 15935 1 272 . 1 1 25 25 LYS CD C 13 29.557 0.3 . 1 . . . . 41 K CD . 15935 1 273 . 1 1 25 25 LYS CE C 13 42.779 0.3 . 1 . . . . 41 K CE . 15935 1 274 . 1 1 25 25 LYS CG C 13 25.561 0.3 . 1 . . . . 41 K CG . 15935 1 275 . 1 1 25 25 LYS N N 15 116.787 0.3 . 1 . . . . 41 K N . 15935 1 276 . 1 1 26 26 ASN H H 1 7.934 0.02 . 1 . . . . 42 N HN . 15935 1 277 . 1 1 26 26 ASN HA H 1 4.305 0.02 . 1 . . . . 42 N HA . 15935 1 278 . 1 1 26 26 ASN HB2 H 1 3.467 0.02 . 2 . . . . 42 N HB1 . 15935 1 279 . 1 1 26 26 ASN HB3 H 1 2.839 0.02 . 2 . . . . 42 N HB2 . 15935 1 280 . 1 1 26 26 ASN C C 13 179.656 0.3 . 1 . . . . 42 N C . 15935 1 281 . 1 1 26 26 ASN CA C 13 52.350 0.3 . 1 . . . . 42 N CA . 15935 1 282 . 1 1 26 26 ASN CB C 13 39.289 0.3 . 1 . . . . 42 N CB . 15935 1 283 . 1 1 26 26 ASN N N 15 114.677 0.3 . 1 . . . . 42 N N . 15935 1 284 . 1 1 27 27 ILE H H 1 7.745 0.02 . 1 . . . . 43 I HN . 15935 1 285 . 1 1 27 27 ILE HA H 1 3.704 0.02 . 1 . . . . 43 I HA . 15935 1 286 . 1 1 27 27 ILE HB H 1 1.787 0.02 . 1 . . . . 43 I HB . 15935 1 287 . 1 1 27 27 ILE HD11 H 1 0.099 0.02 . 1 . . . . 43 I HD11 . 15935 1 288 . 1 1 27 27 ILE HD12 H 1 0.099 0.02 . 1 . . . . 43 I HD11 . 15935 1 289 . 1 1 27 27 ILE HD13 H 1 0.099 0.02 . 1 . . . . 43 I HD11 . 15935 1 290 . 1 1 27 27 ILE HG12 H 1 0.777 0.02 . 2 . . . . 43 I HG11 . 15935 1 291 . 1 1 27 27 ILE HG13 H 1 0.602 0.02 . 2 . . . . 43 I HG12 . 15935 1 292 . 1 1 27 27 ILE HG21 H 1 0.719 0.02 . 1 . . . . 43 I HG21 . 15935 1 293 . 1 1 27 27 ILE HG22 H 1 0.719 0.02 . 1 . . . . 43 I HG21 . 15935 1 294 . 1 1 27 27 ILE HG23 H 1 0.719 0.02 . 1 . . . . 43 I HG21 . 15935 1 295 . 1 1 27 27 ILE C C 13 174.271 0.3 . 1 . . . . 43 I C . 15935 1 296 . 1 1 27 27 ILE CA C 13 64.589 0.3 . 1 . . . . 43 I CA . 15935 1 297 . 1 1 27 27 ILE CB C 13 36.671 0.3 . 1 . . . . 43 I CB . 15935 1 298 . 1 1 27 27 ILE CD1 C 13 13.960 0.3 . 1 . . . . 43 I CD1 . 15935 1 299 . 1 1 27 27 ILE CG1 C 13 22.116 0.3 . 1 . . . . 43 I CG1 . 15935 1 300 . 1 1 27 27 ILE CG2 C 13 16.643 0.3 . 1 . . . . 43 I CG2 . 15935 1 301 . 1 1 27 27 ILE N N 15 120.988 0.3 . 1 . . . . 43 I N . 15935 1 302 . 1 1 28 28 VAL H H 1 6.167 0.02 . 1 . . . . 44 V HN . 15935 1 303 . 1 1 28 28 VAL HA H 1 3.487 0.02 . 1 . . . . 44 V HA . 15935 1 304 . 1 1 28 28 VAL HB H 1 1.742 0.02 . 1 . . . . 44 V HB . 15935 1 305 . 1 1 28 28 VAL HG11 H 1 0.607 0.02 . 2 . . . . 44 V HG11 . 15935 1 306 . 1 1 28 28 VAL HG12 H 1 0.607 0.02 . 2 . . . . 44 V HG11 . 15935 1 307 . 1 1 28 28 VAL HG13 H 1 0.607 0.02 . 2 . . . . 44 V HG11 . 15935 1 308 . 1 1 28 28 VAL HG21 H 1 0.205 0.02 . 2 . . . . 44 V HG21 . 15935 1 309 . 1 1 28 28 VAL HG22 H 1 0.205 0.02 . 2 . . . . 44 V HG21 . 15935 1 310 . 1 1 28 28 VAL HG23 H 1 0.205 0.02 . 2 . . . . 44 V HG21 . 15935 1 311 . 1 1 28 28 VAL C C 13 176.152 0.3 . 1 . . . . 44 V C . 15935 1 312 . 1 1 28 28 VAL CA C 13 63.697 0.3 . 1 . . . . 44 V CA . 15935 1 313 . 1 1 28 28 VAL CB C 13 30.746 0.3 . 1 . . . . 44 V CB . 15935 1 314 . 1 1 28 28 VAL CG1 C 13 21.538 0.3 . 2 . . . . 44 V CG1 . 15935 1 315 . 1 1 28 28 VAL CG2 C 13 18.430 0.3 . 2 . . . . 44 V CG2 . 15935 1 316 . 1 1 28 28 VAL N N 15 110.465 0.3 . 1 . . . . 44 V N . 15935 1 317 . 1 1 29 29 TRP H H 1 7.460 0.02 . 1 . . . . 45 W HN . 15935 1 318 . 1 1 29 29 TRP HA H 1 4.743 0.02 . 1 . . . . 45 W HA . 15935 1 319 . 1 1 29 29 TRP HB2 H 1 3.333 0.02 . 2 . . . . 45 W HB1 . 15935 1 320 . 1 1 29 29 TRP HB3 H 1 3.245 0.02 . 2 . . . . 45 W HB2 . 15935 1 321 . 1 1 29 29 TRP HD1 H 1 7.065 0.02 . 1 . . . . 45 W HD1 . 15935 1 322 . 1 1 29 29 TRP HE3 H 1 7.488 0.02 . 1 . . . . 45 W HE3 . 15935 1 323 . 1 1 29 29 TRP HH2 H 1 7.324 0.02 . 1 . . . . 45 W HH2 . 15935 1 324 . 1 1 29 29 TRP HZ2 H 1 7.517 0.02 . 1 . . . . 45 W HZ2 . 15935 1 325 . 1 1 29 29 TRP HZ3 H 1 7.001 0.02 . 1 . . . . 45 W HZ3 . 15935 1 326 . 1 1 29 29 TRP C C 13 175.190 0.3 . 1 . . . . 45 W C . 15935 1 327 . 1 1 29 29 TRP CA C 13 55.677 0.3 . 1 . . . . 45 W CA . 15935 1 328 . 1 1 29 29 TRP CB C 13 31.334 0.3 . 1 . . . . 45 W CB . 15935 1 329 . 1 1 29 29 TRP CD1 C 13 126.514 0.3 . 1 . . . . 45 W CD1 . 15935 1 330 . 1 1 29 29 TRP CE3 C 13 120.907 0.3 . 1 . . . . 45 W CE3 . 15935 1 331 . 1 1 29 29 TRP CH2 C 13 125.332 0.3 . 1 . . . . 45 W CH2 . 15935 1 332 . 1 1 29 29 TRP CZ2 C 13 114.551 0.3 . 1 . . . . 45 W CZ2 . 15935 1 333 . 1 1 29 29 TRP CZ3 C 13 121.667 0.3 . 1 . . . . 45 W CZ3 . 15935 1 334 . 1 1 29 29 TRP N N 15 118.431 0.3 . 1 . . . . 45 W N . 15935 1 335 . 1 1 30 30 HIS H H 1 7.584 0.02 . 1 . . . . 46 H HN . 15935 1 336 . 1 1 30 30 HIS HD2 H 1 6.740 0.02 . 1 . . . . 46 H HD2 . 15935 1 337 . 1 1 30 30 HIS HE1 H 1 7.383 0.02 . 1 . . . . 46 H HE1 . 15935 1 338 . 1 1 30 30 HIS CA C 13 57.148 0.3 . 1 . . . . 46 H CA . 15935 1 339 . 1 1 30 30 HIS CB C 13 32.520 0.3 . 1 . . . . 46 H CB . 15935 1 340 . 1 1 30 30 HIS CD2 C 13 116.836 0.3 . 1 . . . . 46 H CD2 . 15935 1 341 . 1 1 30 30 HIS CE1 C 13 136.823 0.3 . 1 . . . . 46 H CE1 . 15935 1 342 . 1 1 30 30 HIS N N 15 122.907 0.3 . 1 . . . . 46 H N . 15935 1 343 . 1 1 31 31 GLU HA H 1 4.086 0.02 . 1 . . . . 47 E HA . 15935 1 344 . 1 1 31 31 GLU HB2 H 1 2.194 0.02 . 2 . . . . 47 E HB1 . 15935 1 345 . 1 1 31 31 GLU HB3 H 1 2.186 0.02 . 2 . . . . 47 E HB2 . 15935 1 346 . 1 1 31 31 GLU HG2 H 1 2.466 0.02 . 2 . . . . 47 E HG1 . 15935 1 347 . 1 1 31 31 GLU HG3 H 1 2.418 0.02 . 2 . . . . 47 E HG2 . 15935 1 348 . 1 1 31 31 GLU C C 13 175.851 0.3 . 1 . . . . 47 E C . 15935 1 349 . 1 1 31 31 GLU CA C 13 56.567 0.3 . 1 . . . . 47 E CA . 15935 1 350 . 1 1 31 31 GLU CB C 13 32.227 0.3 . 1 . . . . 47 E CB . 15935 1 351 . 1 1 31 31 GLU CG C 13 36.381 0.3 . 1 . . . . 47 E CG . 15935 1 352 . 1 1 32 32 LEU H H 1 9.309 0.02 . 1 . . . . 48 L HN . 15935 1 353 . 1 1 32 32 LEU HA H 1 4.219 0.02 . 1 . . . . 48 L HA . 15935 1 354 . 1 1 32 32 LEU HB2 H 1 1.554 0.02 . 2 . . . . 48 L HB1 . 15935 1 355 . 1 1 32 32 LEU HB3 H 1 1.080 0.02 . 2 . . . . 48 L HB2 . 15935 1 356 . 1 1 32 32 LEU HD11 H 1 0.650 0.02 . 2 . . . . 48 L HD11 . 15935 1 357 . 1 1 32 32 LEU HD12 H 1 0.650 0.02 . 2 . . . . 48 L HD11 . 15935 1 358 . 1 1 32 32 LEU HD13 H 1 0.650 0.02 . 2 . . . . 48 L HD11 . 15935 1 359 . 1 1 32 32 LEU HD21 H 1 0.021 0.02 . 2 . . . . 48 L HD21 . 15935 1 360 . 1 1 32 32 LEU HD22 H 1 0.021 0.02 . 2 . . . . 48 L HD21 . 15935 1 361 . 1 1 32 32 LEU HD23 H 1 0.021 0.02 . 2 . . . . 48 L HD21 . 15935 1 362 . 1 1 32 32 LEU HG H 1 1.316 0.02 . 1 . . . . 48 L HG . 15935 1 363 . 1 1 32 32 LEU C C 13 177.789 0.3 . 1 . . . . 48 L C . 15935 1 364 . 1 1 32 32 LEU CA C 13 55.377 0.3 . 1 . . . . 48 L CA . 15935 1 365 . 1 1 32 32 LEU CB C 13 42.024 0.3 . 1 . . . . 48 L CB . 15935 1 366 . 1 1 32 32 LEU CD1 C 13 26.589 0.3 . 2 . . . . 48 L CD1 . 15935 1 367 . 1 1 32 32 LEU CD2 C 13 20.937 0.3 . 2 . . . . 48 L CD2 . 15935 1 368 . 1 1 32 32 LEU CG C 13 29.123 0.3 . 1 . . . . 48 L CG . 15935 1 369 . 1 1 32 32 LEU N N 15 128.736 0.3 . 1 . . . . 48 L N . 15935 1 370 . 1 1 33 33 ILE H H 1 7.996 0.02 . 1 . . . . 49 I HN . 15935 1 371 . 1 1 33 33 ILE HA H 1 3.243 0.02 . 1 . . . . 49 I HA . 15935 1 372 . 1 1 33 33 ILE HB H 1 1.660 0.02 . 1 . . . . 49 I HB . 15935 1 373 . 1 1 33 33 ILE HD11 H 1 1.048 0.02 . 1 . . . . 49 I HD11 . 15935 1 374 . 1 1 33 33 ILE HD12 H 1 1.048 0.02 . 1 . . . . 49 I HD11 . 15935 1 375 . 1 1 33 33 ILE HD13 H 1 1.048 0.02 . 1 . . . . 49 I HD11 . 15935 1 376 . 1 1 33 33 ILE HG12 H 1 1.466 0.02 . 2 . . . . 49 I HG11 . 15935 1 377 . 1 1 33 33 ILE HG13 H 1 1.087 0.02 . 2 . . . . 49 I HG12 . 15935 1 378 . 1 1 33 33 ILE HG21 H 1 0.549 0.02 . 1 . . . . 49 I HG21 . 15935 1 379 . 1 1 33 33 ILE HG22 H 1 0.549 0.02 . 1 . . . . 49 I HG21 . 15935 1 380 . 1 1 33 33 ILE HG23 H 1 0.549 0.02 . 1 . . . . 49 I HG21 . 15935 1 381 . 1 1 33 33 ILE C C 13 174.659 0.3 . 1 . . . . 49 I C . 15935 1 382 . 1 1 33 33 ILE CA C 13 63.693 0.3 . 1 . . . . 49 I CA . 15935 1 383 . 1 1 33 33 ILE CB C 13 38.016 0.3 . 1 . . . . 49 I CB . 15935 1 384 . 1 1 33 33 ILE CD1 C 13 14.415 0.3 . 1 . . . . 49 I CD1 . 15935 1 385 . 1 1 33 33 ILE CG1 C 13 27.639 0.3 . 1 . . . . 49 I CG1 . 15935 1 386 . 1 1 33 33 ILE CG2 C 13 17.377 0.3 . 1 . . . . 49 I CG2 . 15935 1 387 . 1 1 33 33 ILE N N 15 120.070 0.3 . 1 . . . . 49 I N . 15935 1 388 . 1 1 34 34 GLY H H 1 9.030 0.02 . 1 . . . . 50 G HN . 15935 1 389 . 1 1 34 34 GLY HA2 H 1 4.690 0.02 . 2 . . . . 50 G HA1 . 15935 1 390 . 1 1 34 34 GLY HA3 H 1 3.479 0.02 . 2 . . . . 50 G HA2 . 15935 1 391 . 1 1 34 34 GLY C C 13 175.032 0.3 . 1 . . . . 50 G C . 15935 1 392 . 1 1 34 34 GLY CA C 13 44.402 0.3 . 1 . . . . 50 G CA . 15935 1 393 . 1 1 34 34 GLY N N 15 110.223 0.3 . 1 . . . . 50 G N . 15935 1 394 . 1 1 35 35 LEU H H 1 8.384 0.02 . 1 . . . . 51 L HN . 15935 1 395 . 1 1 35 35 LEU HA H 1 4.680 0.02 . 1 . . . . 51 L HA . 15935 1 396 . 1 1 35 35 LEU HB2 H 1 2.185 0.02 . 2 . . . . 51 L HB1 . 15935 1 397 . 1 1 35 35 LEU HB3 H 1 1.501 0.02 . 2 . . . . 51 L HB2 . 15935 1 398 . 1 1 35 35 LEU HD11 H 1 0.147 0.02 . 2 . . . . 51 L HD11 . 15935 1 399 . 1 1 35 35 LEU HD12 H 1 0.147 0.02 . 2 . . . . 51 L HD11 . 15935 1 400 . 1 1 35 35 LEU HD13 H 1 0.147 0.02 . 2 . . . . 51 L HD11 . 15935 1 401 . 1 1 35 35 LEU HD21 H 1 0.466 0.02 . 2 . . . . 51 L HD21 . 15935 1 402 . 1 1 35 35 LEU HD22 H 1 0.466 0.02 . 2 . . . . 51 L HD21 . 15935 1 403 . 1 1 35 35 LEU HD23 H 1 0.466 0.02 . 2 . . . . 51 L HD21 . 15935 1 404 . 1 1 35 35 LEU HG H 1 1.546 0.02 . 1 . . . . 51 L HG . 15935 1 405 . 1 1 35 35 LEU C C 13 173.740 0.3 . 1 . . . . 51 L C . 15935 1 406 . 1 1 35 35 LEU CA C 13 54.199 0.3 . 1 . . . . 51 L CA . 15935 1 407 . 1 1 35 35 LEU CB C 13 42.914 0.3 . 1 . . . . 51 L CB . 15935 1 408 . 1 1 35 35 LEU CD1 C 13 21.240 0.3 . 2 . . . . 51 L CD1 . 15935 1 409 . 1 1 35 35 LEU CD2 C 13 26.288 0.3 . 2 . . . . 51 L CD2 . 15935 1 410 . 1 1 35 35 LEU CG C 13 27.342 0.3 . 1 . . . . 51 L CG . 15935 1 411 . 1 1 35 35 LEU N N 15 120.531 0.3 . 1 . . . . 51 L N . 15935 1 412 . 1 1 36 36 LYS H H 1 7.485 0.02 . 1 . . . . 52 K HN . 15935 1 413 . 1 1 36 36 LYS HA H 1 4.231 0.02 . 1 . . . . 52 K HA . 15935 1 414 . 1 1 36 36 LYS HB2 H 1 1.740 0.02 . 2 . . . . 52 K HB1 . 15935 1 415 . 1 1 36 36 LYS HB3 H 1 1.460 0.02 . 2 . . . . 52 K HB2 . 15935 1 416 . 1 1 36 36 LYS HD2 H 1 1.356 0.02 . 2 . . . . 52 K HD1 . 15935 1 417 . 1 1 36 36 LYS HD3 H 1 1.326 0.02 . 2 . . . . 52 K HD2 . 15935 1 418 . 1 1 36 36 LYS HE2 H 1 2.732 0.02 . 2 . . . . 52 K HE1 . 15935 1 419 . 1 1 36 36 LYS HE3 H 1 2.623 0.02 . 2 . . . . 52 K HE2 . 15935 1 420 . 1 1 36 36 LYS HG2 H 1 1.006 0.02 . 2 . . . . 52 K HG1 . 15935 1 421 . 1 1 36 36 LYS HG3 H 1 0.951 0.02 . 2 . . . . 52 K HG2 . 15935 1 422 . 1 1 36 36 LYS C C 13 175.003 0.3 . 1 . . . . 52 K C . 15935 1 423 . 1 1 36 36 LYS CA C 13 55.682 0.3 . 1 . . . . 52 K CA . 15935 1 424 . 1 1 36 36 LYS CB C 13 32.990 0.3 . 1 . . . . 52 K CB . 15935 1 425 . 1 1 36 36 LYS CD C 13 29.123 0.3 . 1 . . . . 52 K CD . 15935 1 426 . 1 1 36 36 LYS CE C 13 42.482 0.3 . 1 . . . . 52 K CE . 15935 1 427 . 1 1 36 36 LYS CG C 13 24.811 0.3 . 1 . . . . 52 K CG . 15935 1 428 . 1 1 36 36 LYS N N 15 122.405 0.3 . 1 . . . . 52 K N . 15935 1 429 . 1 1 37 37 VAL H H 1 9.058 0.02 . 1 . . . . 53 V HN . 15935 1 430 . 1 1 37 37 VAL HA H 1 5.030 0.02 . 1 . . . . 53 V HA . 15935 1 431 . 1 1 37 37 VAL HB H 1 1.505 0.02 . 1 . . . . 53 V HB . 15935 1 432 . 1 1 37 37 VAL HG11 H 1 0.480 0.02 . 2 . . . . 53 V HG11 . 15935 1 433 . 1 1 37 37 VAL HG12 H 1 0.480 0.02 . 2 . . . . 53 V HG11 . 15935 1 434 . 1 1 37 37 VAL HG13 H 1 0.480 0.02 . 2 . . . . 53 V HG11 . 15935 1 435 . 1 1 37 37 VAL HG21 H 1 -0.059 0.02 . 2 . . . . 53 V HG21 . 15935 1 436 . 1 1 37 37 VAL HG22 H 1 -0.059 0.02 . 2 . . . . 53 V HG21 . 15935 1 437 . 1 1 37 37 VAL HG23 H 1 -0.059 0.02 . 2 . . . . 53 V HG21 . 15935 1 438 . 1 1 37 37 VAL C C 13 171.126 0.3 . 1 . . . . 53 V C . 15935 1 439 . 1 1 37 37 VAL CA C 13 58.363 0.3 . 1 . . . . 53 V CA . 15935 1 440 . 1 1 37 37 VAL CB C 13 35.790 0.3 . 1 . . . . 53 V CB . 15935 1 441 . 1 1 37 37 VAL CG1 C 13 20.592 0.3 . 2 . . . . 53 V CG1 . 15935 1 442 . 1 1 37 37 VAL CG2 C 13 23.320 0.3 . 2 . . . . 53 V CG2 . 15935 1 443 . 1 1 37 37 VAL N N 15 124.652 0.3 . 1 . . . . 53 V N . 15935 1 444 . 1 1 38 38 ARG H H 1 8.111 0.02 . 1 . . . . 54 R HN . 15935 1 445 . 1 1 38 38 ARG HA H 1 5.284 0.02 . 1 . . . . 54 R HA . 15935 1 446 . 1 1 38 38 ARG HB2 H 1 1.679 0.02 . 2 . . . . 54 R HB1 . 15935 1 447 . 1 1 38 38 ARG HB3 H 1 1.595 0.02 . 2 . . . . 54 R HB2 . 15935 1 448 . 1 1 38 38 ARG HD2 H 1 3.164 0.02 . 2 . . . . 54 R HD1 . 15935 1 449 . 1 1 38 38 ARG HD3 H 1 3.052 0.02 . 2 . . . . 54 R HD2 . 15935 1 450 . 1 1 38 38 ARG HG2 H 1 1.390 0.02 . 2 . . . . 54 R HG1 . 15935 1 451 . 1 1 38 38 ARG HG3 H 1 1.332 0.02 . 2 . . . . 54 R HG2 . 15935 1 452 . 1 1 38 38 ARG C C 13 176.081 0.3 . 1 . . . . 54 R C . 15935 1 453 . 1 1 38 38 ARG CA C 13 53.598 0.3 . 1 . . . . 54 R CA . 15935 1 454 . 1 1 38 38 ARG CB C 13 34.603 0.3 . 1 . . . . 54 R CB . 15935 1 455 . 1 1 38 38 ARG CD C 13 43.207 0.3 . 1 . . . . 54 R CD . 15935 1 456 . 1 1 38 38 ARG CG C 13 27.479 0.3 . 1 . . . . 54 R CG . 15935 1 457 . 1 1 38 38 ARG N N 15 123.586 0.3 . 1 . . . . 54 R N . 15935 1 458 . 1 1 39 39 VAL H H 1 8.637 0.02 . 1 . . . . 55 V HN . 15935 1 459 . 1 1 39 39 VAL HA H 1 4.045 0.02 . 1 . . . . 55 V HA . 15935 1 460 . 1 1 39 39 VAL HB H 1 2.372 0.02 . 1 . . . . 55 V HB . 15935 1 461 . 1 1 39 39 VAL HG11 H 1 0.586 0.02 . 2 . . . . 55 V HG11 . 15935 1 462 . 1 1 39 39 VAL HG12 H 1 0.586 0.02 . 2 . . . . 55 V HG11 . 15935 1 463 . 1 1 39 39 VAL HG13 H 1 0.586 0.02 . 2 . . . . 55 V HG11 . 15935 1 464 . 1 1 39 39 VAL HG21 H 1 0.790 0.02 . 2 . . . . 55 V HG21 . 15935 1 465 . 1 1 39 39 VAL HG22 H 1 0.790 0.02 . 2 . . . . 55 V HG21 . 15935 1 466 . 1 1 39 39 VAL HG23 H 1 0.790 0.02 . 2 . . . . 55 V HG21 . 15935 1 467 . 1 1 39 39 VAL C C 13 176.181 0.3 . 1 . . . . 55 V C . 15935 1 468 . 1 1 39 39 VAL CA C 13 62.804 0.3 . 1 . . . . 55 V CA . 15935 1 469 . 1 1 39 39 VAL CB C 13 30.484 0.3 . 1 . . . . 55 V CB . 15935 1 470 . 1 1 39 39 VAL CG1 C 13 22.426 0.3 . 2 . . . . 55 V CG1 . 15935 1 471 . 1 1 39 39 VAL CG2 C 13 20.946 0.3 . 2 . . . . 55 V CG2 . 15935 1 472 . 1 1 39 39 VAL N N 15 125.456 0.3 . 1 . . . . 55 V N . 15935 1 473 . 1 1 40 40 VAL H H 1 8.024 0.02 . 1 . . . . 56 V HN . 15935 1 474 . 1 1 40 40 VAL HA H 1 4.088 0.02 . 1 . . . . 56 V HA . 15935 1 475 . 1 1 40 40 VAL HB H 1 1.965 0.02 . 1 . . . . 56 V HB . 15935 1 476 . 1 1 40 40 VAL HG11 H 1 0.812 0.02 . 2 . . . . 56 V HG11 . 15935 1 477 . 1 1 40 40 VAL HG12 H 1 0.812 0.02 . 2 . . . . 56 V HG11 . 15935 1 478 . 1 1 40 40 VAL HG13 H 1 0.812 0.02 . 2 . . . . 56 V HG11 . 15935 1 479 . 1 1 40 40 VAL HG21 H 1 0.710 0.02 . 2 . . . . 56 V HG21 . 15935 1 480 . 1 1 40 40 VAL HG22 H 1 0.710 0.02 . 2 . . . . 56 V HG21 . 15935 1 481 . 1 1 40 40 VAL HG23 H 1 0.710 0.02 . 2 . . . . 56 V HG21 . 15935 1 482 . 1 1 40 40 VAL C C 13 175.344 0.3 . 1 . . . . 56 V C . 15935 1 483 . 1 1 40 40 VAL CA C 13 62.806 0.3 . 1 . . . . 56 V CA . 15935 1 484 . 1 1 40 40 VAL CB C 13 32.224 0.3 . 1 . . . . 56 V CB . 15935 1 485 . 1 1 40 40 VAL CG1 C 13 22.133 0.3 . 2 . . . . 56 V CG1 . 15935 1 486 . 1 1 40 40 VAL CG2 C 13 20.352 0.3 . 2 . . . . 56 V CG2 . 15935 1 487 . 1 1 40 40 VAL N N 15 124.991 0.3 . 1 . . . . 56 V N . 15935 1 488 . 1 1 41 41 ASN H H 1 7.499 0.02 . 1 . . . . 57 N HN . 15935 1 489 . 1 1 41 41 ASN HA H 1 4.783 0.02 . 1 . . . . 57 N HA . 15935 1 490 . 1 1 41 41 ASN HB2 H 1 2.559 0.02 . 2 . . . . 57 N HB1 . 15935 1 491 . 1 1 41 41 ASN HB3 H 1 2.497 0.02 . 2 . . . . 57 N HB2 . 15935 1 492 . 1 1 41 41 ASN C C 13 172.921 0.3 . 1 . . . . 57 N C . 15935 1 493 . 1 1 41 41 ASN CA C 13 52.423 0.3 . 1 . . . . 57 N CA . 15935 1 494 . 1 1 41 41 ASN CB C 13 42.023 0.3 . 1 . . . . 57 N CB . 15935 1 495 . 1 1 41 41 ASN N N 15 114.795 0.3 . 1 . . . . 57 N N . 15935 1 496 . 1 1 42 42 SER H H 1 8.160 0.02 . 1 . . . . 58 S HN . 15935 1 497 . 1 1 42 42 SER HA H 1 5.164 0.02 . 1 . . . . 58 S HA . 15935 1 498 . 1 1 42 42 SER HB2 H 1 3.904 0.02 . 2 . . . . 58 S HB1 . 15935 1 499 . 1 1 42 42 SER HB3 H 1 3.594 0.02 . 2 . . . . 58 S HB2 . 15935 1 500 . 1 1 42 42 SER C C 13 174.199 0.3 . 1 . . . . 58 S C . 15935 1 501 . 1 1 42 42 SER CA C 13 56.861 0.3 . 1 . . . . 58 S CA . 15935 1 502 . 1 1 42 42 SER CB C 13 63.701 0.3 . 1 . . . . 58 S CB . 15935 1 503 . 1 1 42 42 SER N N 15 115.605 0.3 . 1 . . . . 58 S N . 15935 1 504 . 1 1 43 43 THR H H 1 8.024 0.02 . 1 . . . . 59 T HN . 15935 1 505 . 1 1 43 43 THR HA H 1 4.263 0.02 . 1 . . . . 59 T HA . 15935 1 506 . 1 1 43 43 THR HB H 1 4.378 0.02 . 1 . . . . 59 T HB . 15935 1 507 . 1 1 43 43 THR HG21 H 1 1.261 0.02 . 1 . . . . 59 T HG21 . 15935 1 508 . 1 1 43 43 THR HG22 H 1 1.261 0.02 . 1 . . . . 59 T HG21 . 15935 1 509 . 1 1 43 43 THR HG23 H 1 1.261 0.02 . 1 . . . . 59 T HG21 . 15935 1 510 . 1 1 43 43 THR C C 13 174.443 0.3 . 1 . . . . 59 T C . 15935 1 511 . 1 1 43 43 THR CA C 13 63.266 0.3 . 1 . . . . 59 T CA . 15935 1 512 . 1 1 43 43 THR CB C 13 68.321 0.3 . 1 . . . . 59 T CB . 15935 1 513 . 1 1 43 43 THR CG2 C 13 22.140 0.3 . 1 . . . . 59 T CG2 . 15935 1 514 . 1 1 43 43 THR N N 15 116.556 0.3 . 1 . . . . 59 T N . 15935 1 515 . 1 1 44 44 HIS H H 1 8.312 0.02 . 1 . . . . 60 H HN . 15935 1 516 . 1 1 44 44 HIS HD2 H 1 7.471 0.02 . 1 . . . . 60 H HD2 . 15935 1 517 . 1 1 44 44 HIS HE1 H 1 6.771 0.02 . 1 . . . . 60 H HE1 . 15935 1 518 . 1 1 44 44 HIS CA C 13 52.878 0.3 . 1 . . . . 60 H CA . 15935 1 519 . 1 1 44 44 HIS CB C 13 32.038 0.3 . 1 . . . . 60 H CB . 15935 1 520 . 1 1 44 44 HIS CD2 C 13 125.117 0.3 . 1 . . . . 60 H CD2 . 15935 1 521 . 1 1 44 44 HIS CE1 C 13 136.391 0.3 . 1 . . . . 60 H CE1 . 15935 1 522 . 1 1 44 44 HIS N N 15 123.822 0.3 . 1 . . . . 60 H N . 15935 1 523 . 1 1 46 46 GLY HA2 H 1 3.841 0.02 . 2 . . . . 62 G HA1 . 15935 1 524 . 1 1 46 46 GLY HA3 H 1 3.593 0.02 . 2 . . . . 62 G HA2 . 15935 1 525 . 1 1 46 46 GLY C C 13 174.989 0.3 . 1 . . . . 62 G C . 15935 1 526 . 1 1 46 46 GLY CA C 13 45.590 0.3 . 1 . . . . 62 G CA . 15935 1 527 . 1 1 47 47 TYR H H 1 7.288 0.02 . 1 . . . . 63 Y HN . 15935 1 528 . 1 1 47 47 TYR HA H 1 4.808 0.02 . 1 . . . . 63 Y HA . 15935 1 529 . 1 1 47 47 TYR HB2 H 1 3.192 0.02 . 2 . . . . 63 Y HB1 . 15935 1 530 . 1 1 47 47 TYR HB3 H 1 2.702 0.02 . 2 . . . . 63 Y HB2 . 15935 1 531 . 1 1 47 47 TYR HD1 H 1 7.060 0.02 . 3 . . . . 63 Y HD1 . 15935 1 532 . 1 1 47 47 TYR HD2 H 1 7.060 0.02 . 3 . . . . 63 Y HD2 . 15935 1 533 . 1 1 47 47 TYR HE1 H 1 6.717 0.02 . 3 . . . . 63 Y HE1 . 15935 1 534 . 1 1 47 47 TYR HE2 H 1 6.717 0.02 . 3 . . . . 63 Y HE2 . 15935 1 535 . 1 1 47 47 TYR C C 13 175.549 0.3 . 1 . . . . 63 Y C . 15935 1 536 . 1 1 47 47 TYR CA C 13 55.968 0.3 . 1 . . . . 63 Y CA . 15935 1 537 . 1 1 47 47 TYR CB C 13 39.050 0.3 . 1 . . . . 63 Y CB . 15935 1 538 . 1 1 47 47 TYR CD1 C 13 132.126 0.3 . 3 . . . . 63 Y CD1 . 15935 1 539 . 1 1 47 47 TYR CD2 C 13 132.126 0.3 . 3 . . . . 63 Y CD2 . 15935 1 540 . 1 1 47 47 TYR CE1 C 13 118.005 0.3 . 3 . . . . 63 Y CE1 . 15935 1 541 . 1 1 47 47 TYR CE2 C 13 118.005 0.3 . 3 . . . . 63 Y CE2 . 15935 1 542 . 1 1 47 47 TYR N N 15 116.557 0.3 . 1 . . . . 63 Y N . 15935 1 543 . 1 1 48 48 VAL H H 1 7.248 0.02 . 1 . . . . 64 V HN . 15935 1 544 . 1 1 48 48 VAL HA H 1 3.139 0.02 . 1 . . . . 64 V HA . 15935 1 545 . 1 1 48 48 VAL HB H 1 2.002 0.02 . 1 . . . . 64 V HB . 15935 1 546 . 1 1 48 48 VAL HG11 H 1 0.973 0.02 . 2 . . . . 64 V HG11 . 15935 1 547 . 1 1 48 48 VAL HG12 H 1 0.973 0.02 . 2 . . . . 64 V HG11 . 15935 1 548 . 1 1 48 48 VAL HG13 H 1 0.973 0.02 . 2 . . . . 64 V HG11 . 15935 1 549 . 1 1 48 48 VAL HG21 H 1 0.849 0.02 . 2 . . . . 64 V HG21 . 15935 1 550 . 1 1 48 48 VAL HG22 H 1 0.849 0.02 . 2 . . . . 64 V HG21 . 15935 1 551 . 1 1 48 48 VAL HG23 H 1 0.849 0.02 . 2 . . . . 64 V HG21 . 15935 1 552 . 1 1 48 48 VAL C C 13 177.287 0.3 . 1 . . . . 64 V C . 15935 1 553 . 1 1 48 48 VAL CA C 13 65.470 0.3 . 1 . . . . 64 V CA . 15935 1 554 . 1 1 48 48 VAL CB C 13 31.045 0.3 . 1 . . . . 64 V CB . 15935 1 555 . 1 1 48 48 VAL CG1 C 13 23.615 0.3 . 2 . . . . 64 V CG1 . 15935 1 556 . 1 1 48 48 VAL CG2 C 13 20.950 0.3 . 2 . . . . 64 V CG2 . 15935 1 557 . 1 1 48 48 VAL N N 15 117.848 0.3 . 1 . . . . 64 V N . 15935 1 558 . 1 1 49 49 GLY H H 1 8.412 0.02 . 1 . . . . 65 G HN . 15935 1 559 . 1 1 49 49 GLY HA2 H 1 4.282 0.02 . 2 . . . . 65 G HA1 . 15935 1 560 . 1 1 49 49 GLY HA3 H 1 3.487 0.02 . 2 . . . . 65 G HA2 . 15935 1 561 . 1 1 49 49 GLY C C 13 174.774 0.3 . 1 . . . . 65 G C . 15935 1 562 . 1 1 49 49 GLY CA C 13 44.486 0.3 . 1 . . . . 65 G CA . 15935 1 563 . 1 1 49 49 GLY N N 15 115.328 0.3 . 1 . . . . 65 G N . 15935 1 564 . 1 1 50 50 ILE H H 1 7.053 0.02 . 1 . . . . 66 I HN . 15935 1 565 . 1 1 50 50 ILE HA H 1 3.147 0.02 . 1 . . . . 66 I HA . 15935 1 566 . 1 1 50 50 ILE HB H 1 1.080 0.02 . 1 . . . . 66 I HB . 15935 1 567 . 1 1 50 50 ILE HD11 H 1 0.304 0.02 . 1 . . . . 66 I HD11 . 15935 1 568 . 1 1 50 50 ILE HD12 H 1 0.304 0.02 . 1 . . . . 66 I HD11 . 15935 1 569 . 1 1 50 50 ILE HD13 H 1 0.304 0.02 . 1 . . . . 66 I HD11 . 15935 1 570 . 1 1 50 50 ILE HG12 H 1 0.944 0.02 . 2 . . . . 66 I HG11 . 15935 1 571 . 1 1 50 50 ILE HG13 H 1 0.945 0.02 . 2 . . . . 66 I HG12 . 15935 1 572 . 1 1 50 50 ILE HG21 H 1 -0.067 0.02 . 1 . . . . 66 I HG21 . 15935 1 573 . 1 1 50 50 ILE HG22 H 1 -0.067 0.02 . 1 . . . . 66 I HG21 . 15935 1 574 . 1 1 50 50 ILE HG23 H 1 -0.067 0.02 . 1 . . . . 66 I HG21 . 15935 1 575 . 1 1 50 50 ILE C C 13 174.300 0.3 . 1 . . . . 66 I C . 15935 1 576 . 1 1 50 50 ILE CA C 13 63.397 0.3 . 1 . . . . 66 I CA . 15935 1 577 . 1 1 50 50 ILE CB C 13 37.572 0.3 . 1 . . . . 66 I CB . 15935 1 578 . 1 1 50 50 ILE CD1 C 13 15.299 0.3 . 1 . . . . 66 I CD1 . 15935 1 579 . 1 1 50 50 ILE CG1 C 13 27.776 0.3 . 1 . . . . 66 I CG1 . 15935 1 580 . 1 1 50 50 ILE CG2 C 13 16.198 0.3 . 1 . . . . 66 I CG2 . 15935 1 581 . 1 1 50 50 ILE N N 15 122.116 0.3 . 1 . . . . 66 I N . 15935 1 582 . 1 1 51 51 GLU H H 1 7.084 0.02 . 1 . . . . 67 E HN . 15935 1 583 . 1 1 51 51 GLU HA H 1 5.304 0.02 . 1 . . . . 67 E HA . 15935 1 584 . 1 1 51 51 GLU HB2 H 1 1.929 0.02 . 2 . . . . 67 E HB1 . 15935 1 585 . 1 1 51 51 GLU HB3 H 1 1.929 0.02 . 2 . . . . 67 E HB2 . 15935 1 586 . 1 1 51 51 GLU HG2 H 1 2.171 0.02 . 2 . . . . 67 E HG1 . 15935 1 587 . 1 1 51 51 GLU HG3 H 1 2.077 0.02 . 2 . . . . 67 E HG2 . 15935 1 588 . 1 1 51 51 GLU C C 13 174.644 0.3 . 1 . . . . 67 E C . 15935 1 589 . 1 1 51 51 GLU CA C 13 53.904 0.3 . 1 . . . . 67 E CA . 15935 1 590 . 1 1 51 51 GLU CB C 13 33.704 0.3 . 1 . . . . 67 E CB . 15935 1 591 . 1 1 51 51 GLU CG C 13 36.087 0.3 . 1 . . . . 67 E CG . 15935 1 592 . 1 1 51 51 GLU N N 15 125.105 0.3 . 1 . . . . 67 E N . 15935 1 593 . 1 1 52 52 GLY H H 1 8.372 0.02 . 1 . . . . 68 G HN . 15935 1 594 . 1 1 52 52 GLY HA2 H 1 4.316 0.02 . 2 . . . . 68 G HA1 . 15935 1 595 . 1 1 52 52 GLY HA3 H 1 3.992 0.02 . 2 . . . . 68 G HA2 . 15935 1 596 . 1 1 52 52 GLY C C 13 171.600 0.3 . 1 . . . . 68 G C . 15935 1 597 . 1 1 52 52 GLY CA C 13 45.524 0.3 . 1 . . . . 68 G CA . 15935 1 598 . 1 1 52 52 GLY N N 15 109.668 0.3 . 1 . . . . 68 G N . 15935 1 599 . 1 1 53 53 TYR H H 1 8.377 0.02 . 1 . . . . 69 Y HN . 15935 1 600 . 1 1 53 53 TYR HA H 1 5.041 0.02 . 1 . . . . 69 Y HA . 15935 1 601 . 1 1 53 53 TYR HB2 H 1 2.235 0.02 . 2 . . . . 69 Y HB1 . 15935 1 602 . 1 1 53 53 TYR HB3 H 1 2.194 0.02 . 2 . . . . 69 Y HB2 . 15935 1 603 . 1 1 53 53 TYR HD1 H 1 6.970 0.02 . 3 . . . . 69 Y HD1 . 15935 1 604 . 1 1 53 53 TYR HD2 H 1 6.970 0.02 . 3 . . . . 69 Y HD2 . 15935 1 605 . 1 1 53 53 TYR HE1 H 1 6.663 0.02 . 3 . . . . 69 Y HE1 . 15935 1 606 . 1 1 53 53 TYR HE2 H 1 6.663 0.02 . 3 . . . . 69 Y HE2 . 15935 1 607 . 1 1 53 53 TYR C C 13 176.181 0.3 . 1 . . . . 69 Y C . 15935 1 608 . 1 1 53 53 TYR CA C 13 57.761 0.3 . 1 . . . . 69 Y CA . 15935 1 609 . 1 1 53 53 TYR CB C 13 40.999 0.3 . 1 . . . . 69 Y CB . 15935 1 610 . 1 1 53 53 TYR CD1 C 13 132.947 0.3 . 3 . . . . 69 Y CD1 . 15935 1 611 . 1 1 53 53 TYR CD2 C 13 132.947 0.3 . 3 . . . . 69 Y CD2 . 15935 1 612 . 1 1 53 53 TYR CE1 C 13 117.976 0.3 . 3 . . . . 69 Y CE1 . 15935 1 613 . 1 1 53 53 TYR CE2 C 13 117.976 0.3 . 3 . . . . 69 Y CE2 . 15935 1 614 . 1 1 53 53 TYR N N 15 119.593 0.3 . 1 . . . . 69 Y N . 15935 1 615 . 1 1 54 54 VAL H H 1 8.736 0.02 . 1 . . . . 70 V HN . 15935 1 616 . 1 1 54 54 VAL HA H 1 4.103 0.02 . 1 . . . . 70 V HA . 15935 1 617 . 1 1 54 54 VAL HB H 1 2.716 0.02 . 1 . . . . 70 V HB . 15935 1 618 . 1 1 54 54 VAL HG11 H 1 0.947 0.02 . 2 . . . . 70 V HG11 . 15935 1 619 . 1 1 54 54 VAL HG12 H 1 0.947 0.02 . 2 . . . . 70 V HG11 . 15935 1 620 . 1 1 54 54 VAL HG13 H 1 0.947 0.02 . 2 . . . . 70 V HG11 . 15935 1 621 . 1 1 54 54 VAL HG21 H 1 0.855 0.02 . 2 . . . . 70 V HG21 . 15935 1 622 . 1 1 54 54 VAL HG22 H 1 0.855 0.02 . 2 . . . . 70 V HG21 . 15935 1 623 . 1 1 54 54 VAL HG23 H 1 0.855 0.02 . 2 . . . . 70 V HG21 . 15935 1 624 . 1 1 54 54 VAL C C 13 176.483 0.3 . 1 . . . . 70 V C . 15935 1 625 . 1 1 54 54 VAL CA C 13 63.367 0.3 . 1 . . . . 70 V CA . 15935 1 626 . 1 1 54 54 VAL CB C 13 30.745 0.3 . 1 . . . . 70 V CB . 15935 1 627 . 1 1 54 54 VAL CG1 C 13 23.022 0.3 . 2 . . . . 70 V CG1 . 15935 1 628 . 1 1 54 54 VAL CG2 C 13 23.619 0.3 . 2 . . . . 70 V CG2 . 15935 1 629 . 1 1 54 54 VAL N N 15 123.361 0.3 . 1 . . . . 70 V N . 15935 1 630 . 1 1 55 55 ILE H H 1 9.081 0.02 . 1 . . . . 71 I HN . 15935 1 631 . 1 1 55 55 ILE HA H 1 4.785 0.02 . 1 . . . . 71 I HA . 15935 1 632 . 1 1 55 55 ILE HB H 1 1.970 0.02 . 1 . . . . 71 I HB . 15935 1 633 . 1 1 55 55 ILE HD11 H 1 0.679 0.02 . 1 . . . . 71 I HD11 . 15935 1 634 . 1 1 55 55 ILE HD12 H 1 0.679 0.02 . 1 . . . . 71 I HD11 . 15935 1 635 . 1 1 55 55 ILE HD13 H 1 0.679 0.02 . 1 . . . . 71 I HD11 . 15935 1 636 . 1 1 55 55 ILE HG12 H 1 0.804 0.02 . 2 . . . . 71 I HG11 . 15935 1 637 . 1 1 55 55 ILE HG13 H 1 0.804 0.02 . 2 . . . . 71 I HG12 . 15935 1 638 . 1 1 55 55 ILE HG21 H 1 0.403 0.02 . 1 . . . . 71 I HG21 . 15935 1 639 . 1 1 55 55 ILE HG22 H 1 0.403 0.02 . 1 . . . . 71 I HG21 . 15935 1 640 . 1 1 55 55 ILE HG23 H 1 0.403 0.02 . 1 . . . . 71 I HG21 . 15935 1 641 . 1 1 55 55 ILE C C 13 175.377 0.3 . 1 . . . . 71 I C . 15935 1 642 . 1 1 55 55 ILE CA C 13 60.426 0.3 . 1 . . . . 71 I CA . 15935 1 643 . 1 1 55 55 ILE CB C 13 39.804 0.3 . 1 . . . . 71 I CB . 15935 1 644 . 1 1 55 55 ILE CD1 C 13 15.603 0.3 . 1 . . . . 71 I CD1 . 15935 1 645 . 1 1 55 55 ILE CG1 C 13 17.092 0.3 . 1 . . . . 71 I CG1 . 15935 1 646 . 1 1 55 55 ILE CG2 C 13 18.576 0.3 . 1 . . . . 71 I CG2 . 15935 1 647 . 1 1 55 55 ILE N N 15 119.898 0.3 . 1 . . . . 71 I N . 15935 1 648 . 1 1 56 56 ASP H H 1 7.989 0.02 . 1 . . . . 72 D HN . 15935 1 649 . 1 1 56 56 ASP HA H 1 4.929 0.02 . 1 . . . . 72 D HA . 15935 1 650 . 1 1 56 56 ASP HB2 H 1 3.017 0.02 . 2 . . . . 72 D HB1 . 15935 1 651 . 1 1 56 56 ASP HB3 H 1 2.258 0.02 . 2 . . . . 72 D HB2 . 15935 1 652 . 1 1 56 56 ASP C C 13 172.993 0.3 . 1 . . . . 72 D C . 15935 1 653 . 1 1 56 56 ASP CA C 13 53.303 0.3 . 1 . . . . 72 D CA . 15935 1 654 . 1 1 56 56 ASP CB C 13 42.020 0.3 . 1 . . . . 72 D CB . 15935 1 655 . 1 1 56 56 ASP N N 15 118.419 0.3 . 1 . . . . 72 D N . 15935 1 656 . 1 1 57 57 GLU H H 1 9.309 0.02 . 1 . . . . 73 E HN . 15935 1 657 . 1 1 57 57 GLU HA H 1 4.855 0.02 . 1 . . . . 73 E HA . 15935 1 658 . 1 1 57 57 GLU HB2 H 1 1.817 0.02 . 2 . . . . 73 E HB1 . 15935 1 659 . 1 1 57 57 GLU HB3 H 1 1.774 0.02 . 2 . . . . 73 E HB2 . 15935 1 660 . 1 1 57 57 GLU HG2 H 1 2.313 0.02 . 2 . . . . 73 E HG1 . 15935 1 661 . 1 1 57 57 GLU HG3 H 1 2.294 0.02 . 2 . . . . 73 E HG2 . 15935 1 662 . 1 1 57 57 GLU C C 13 173.711 0.3 . 1 . . . . 73 E C . 15935 1 663 . 1 1 57 57 GLU CA C 13 55.384 0.3 . 1 . . . . 73 E CA . 15935 1 664 . 1 1 57 57 GLU CB C 13 32.821 0.3 . 1 . . . . 73 E CB . 15935 1 665 . 1 1 57 57 GLU CG C 13 38.842 0.3 . 1 . . . . 73 E CG . 15935 1 666 . 1 1 57 57 GLU N N 15 123.957 0.3 . 1 . . . . 73 E N . 15935 1 667 . 1 1 58 58 THR H H 1 8.710 0.02 . 1 . . . . 74 T HN . 15935 1 668 . 1 1 58 58 THR HA H 1 4.939 0.02 . 1 . . . . 74 T HA . 15935 1 669 . 1 1 58 58 THR HB H 1 4.757 0.02 . 1 . . . . 74 T HB . 15935 1 670 . 1 1 58 58 THR HG21 H 1 1.106 0.02 . 1 . . . . 74 T HG21 . 15935 1 671 . 1 1 58 58 THR HG22 H 1 1.106 0.02 . 1 . . . . 74 T HG21 . 15935 1 672 . 1 1 58 58 THR HG23 H 1 1.106 0.02 . 1 . . . . 74 T HG21 . 15935 1 673 . 1 1 58 58 THR CA C 13 59.246 0.3 . 1 . . . . 74 T CA . 15935 1 674 . 1 1 58 58 THR CB C 13 70.219 0.3 . 1 . . . . 74 T CB . 15935 1 675 . 1 1 58 58 THR CG2 C 13 21.541 0.3 . 1 . . . . 74 T CG2 . 15935 1 676 . 1 1 58 58 THR N N 15 116.662 0.3 . 1 . . . . 74 T N . 15935 1 677 . 1 1 60 60 ASN HA H 1 5.278 0.02 . 1 . . . . 76 N HA . 15935 1 678 . 1 1 60 60 ASN HB2 H 1 2.899 0.02 . 2 . . . . 76 N HB1 . 15935 1 679 . 1 1 60 60 ASN HB3 H 1 2.590 0.02 . 2 . . . . 76 N HB2 . 15935 1 680 . 1 1 60 60 ASN C C 13 175.434 0.3 . 1 . . . . 76 N C . 15935 1 681 . 1 1 60 60 ASN CA C 13 52.118 0.3 . 1 . . . . 76 N CA . 15935 1 682 . 1 1 60 60 ASN CB C 13 40.664 0.3 . 1 . . . . 76 N CB . 15935 1 683 . 1 1 61 61 MET H H 1 7.471 0.02 . 1 . . . . 77 M HN . 15935 1 684 . 1 1 61 61 MET HA H 1 5.349 0.02 . 1 . . . . 77 M HA . 15935 1 685 . 1 1 61 61 MET HB2 H 1 1.944 0.02 . 2 . . . . 77 M HB1 . 15935 1 686 . 1 1 61 61 MET HB3 H 1 1.787 0.02 . 2 . . . . 77 M HB2 . 15935 1 687 . 1 1 61 61 MET HG2 H 1 2.370 0.02 . 2 . . . . 77 M HG1 . 15935 1 688 . 1 1 61 61 MET HG3 H 1 2.178 0.02 . 2 . . . . 77 M HG2 . 15935 1 689 . 1 1 61 61 MET C C 13 174.802 0.3 . 1 . . . . 77 M C . 15935 1 690 . 1 1 61 61 MET CA C 13 55.085 0.3 . 1 . . . . 77 M CA . 15935 1 691 . 1 1 61 61 MET CB C 13 36.681 0.3 . 1 . . . . 77 M CB . 15935 1 692 . 1 1 61 61 MET CG C 13 31.933 0.3 . 1 . . . . 77 M CG . 15935 1 693 . 1 1 61 61 MET N N 15 119.834 0.3 . 1 . . . . 77 M N . 15935 1 694 . 1 1 62 62 LEU H H 1 8.956 0.02 . 1 . . . . 78 L HN . 15935 1 695 . 1 1 62 62 LEU HA H 1 4.768 0.02 . 1 . . . . 78 L HA . 15935 1 696 . 1 1 62 62 LEU HB2 H 1 1.408 0.02 . 2 . . . . 78 L HB1 . 15935 1 697 . 1 1 62 62 LEU HB3 H 1 1.166 0.02 . 2 . . . . 78 L HB2 . 15935 1 698 . 1 1 62 62 LEU HD11 H 1 0.795 0.02 . 2 . . . . 78 L HD11 . 15935 1 699 . 1 1 62 62 LEU HD12 H 1 0.795 0.02 . 2 . . . . 78 L HD11 . 15935 1 700 . 1 1 62 62 LEU HD13 H 1 0.795 0.02 . 2 . . . . 78 L HD11 . 15935 1 701 . 1 1 62 62 LEU HD21 H 1 0.205 0.02 . 2 . . . . 78 L HD21 . 15935 1 702 . 1 1 62 62 LEU HD22 H 1 0.205 0.02 . 2 . . . . 78 L HD21 . 15935 1 703 . 1 1 62 62 LEU HD23 H 1 0.205 0.02 . 2 . . . . 78 L HD21 . 15935 1 704 . 1 1 62 62 LEU HG H 1 1.320 0.02 . 1 . . . . 78 L HG . 15935 1 705 . 1 1 62 62 LEU C C 13 174.501 0.3 . 1 . . . . 78 L C . 15935 1 706 . 1 1 62 62 LEU CA C 13 53.614 0.3 . 1 . . . . 78 L CA . 15935 1 707 . 1 1 62 62 LEU CB C 13 44.712 0.3 . 1 . . . . 78 L CB . 15935 1 708 . 1 1 62 62 LEU CD1 C 13 24.209 0.3 . 2 . . . . 78 L CD1 . 15935 1 709 . 1 1 62 62 LEU CD2 C 13 25.397 0.3 . 2 . . . . 78 L CD2 . 15935 1 710 . 1 1 62 62 LEU CG C 13 26.588 0.3 . 1 . . . . 78 L CG . 15935 1 711 . 1 1 62 62 LEU N N 15 121.233 0.3 . 1 . . . . 78 L N . 15935 1 712 . 1 1 63 63 VAL H H 1 8.085 0.02 . 1 . . . . 79 V HN . 15935 1 713 . 1 1 63 63 VAL HA H 1 4.735 0.02 . 1 . . . . 79 V HA . 15935 1 714 . 1 1 63 63 VAL HB H 1 1.606 0.02 . 1 . . . . 79 V HB . 15935 1 715 . 1 1 63 63 VAL HG11 H 1 0.711 0.02 . 2 . . . . 79 V HG11 . 15935 1 716 . 1 1 63 63 VAL HG12 H 1 0.711 0.02 . 2 . . . . 79 V HG11 . 15935 1 717 . 1 1 63 63 VAL HG13 H 1 0.711 0.02 . 2 . . . . 79 V HG11 . 15935 1 718 . 1 1 63 63 VAL HG21 H 1 0.148 0.02 . 2 . . . . 79 V HG21 . 15935 1 719 . 1 1 63 63 VAL HG22 H 1 0.148 0.02 . 2 . . . . 79 V HG21 . 15935 1 720 . 1 1 63 63 VAL HG23 H 1 0.148 0.02 . 2 . . . . 79 V HG21 . 15935 1 721 . 1 1 63 63 VAL C C 13 175.276 0.3 . 1 . . . . 79 V C . 15935 1 722 . 1 1 63 63 VAL CA C 13 61.623 0.3 . 1 . . . . 79 V CA . 15935 1 723 . 1 1 63 63 VAL CB C 13 31.195 0.3 . 1 . . . . 79 V CB . 15935 1 724 . 1 1 63 63 VAL CG1 C 13 20.060 0.3 . 2 . . . . 79 V CG1 . 15935 1 725 . 1 1 63 63 VAL CG2 C 13 20.952 0.3 . 2 . . . . 79 V CG2 . 15935 1 726 . 1 1 63 63 VAL N N 15 124.133 0.3 . 1 . . . . 79 V N . 15935 1 727 . 1 1 64 64 ILE H H 1 9.304 0.02 . 1 . . . . 80 I HN . 15935 1 728 . 1 1 64 64 ILE HA H 1 4.712 0.02 . 1 . . . . 80 I HA . 15935 1 729 . 1 1 64 64 ILE HB H 1 1.603 0.02 . 1 . . . . 80 I HB . 15935 1 730 . 1 1 64 64 ILE HD11 H 1 0.538 0.02 . 1 . . . . 80 I HD11 . 15935 1 731 . 1 1 64 64 ILE HD12 H 1 0.538 0.02 . 1 . . . . 80 I HD11 . 15935 1 732 . 1 1 64 64 ILE HD13 H 1 0.538 0.02 . 1 . . . . 80 I HD11 . 15935 1 733 . 1 1 64 64 ILE HG12 H 1 1.376 0.02 . 2 . . . . 80 I HG11 . 15935 1 734 . 1 1 64 64 ILE HG13 H 1 1.346 0.02 . 2 . . . . 80 I HG12 . 15935 1 735 . 1 1 64 64 ILE HG21 H 1 0.496 0.02 . 1 . . . . 80 I HG21 . 15935 1 736 . 1 1 64 64 ILE HG22 H 1 0.496 0.02 . 1 . . . . 80 I HG21 . 15935 1 737 . 1 1 64 64 ILE HG23 H 1 0.496 0.02 . 1 . . . . 80 I HG21 . 15935 1 738 . 1 1 64 64 ILE C C 13 174.056 0.3 . 1 . . . . 80 I C . 15935 1 739 . 1 1 64 64 ILE CA C 13 59.542 0.3 . 1 . . . . 80 I CA . 15935 1 740 . 1 1 64 64 ILE CB C 13 42.030 0.3 . 1 . . . . 80 I CB . 15935 1 741 . 1 1 64 64 ILE CD1 C 13 14.118 0.3 . 1 . . . . 80 I CD1 . 15935 1 742 . 1 1 64 64 ILE CG1 C 13 25.845 0.3 . 1 . . . . 80 I CG1 . 15935 1 743 . 1 1 64 64 ILE CG2 C 13 16.487 0.3 . 1 . . . . 80 I CG2 . 15935 1 744 . 1 1 64 64 ILE N N 15 129.914 0.3 . 1 . . . . 80 I N . 15935 1 745 . 1 1 65 65 ALA H H 1 9.439 0.02 . 1 . . . . 81 A HN . 15935 1 746 . 1 1 65 65 ALA HA H 1 5.087 0.02 . 1 . . . . 81 A HA . 15935 1 747 . 1 1 65 65 ALA HB1 H 1 1.320 0.02 . 1 . . . . 81 A HB1 . 15935 1 748 . 1 1 65 65 ALA HB2 H 1 1.320 0.02 . 1 . . . . 81 A HB1 . 15935 1 749 . 1 1 65 65 ALA HB3 H 1 1.320 0.02 . 1 . . . . 81 A HB1 . 15935 1 750 . 1 1 65 65 ALA C C 13 176.913 0.3 . 1 . . . . 81 A C . 15935 1 751 . 1 1 65 65 ALA CA C 13 50.639 0.3 . 1 . . . . 81 A CA . 15935 1 752 . 1 1 65 65 ALA CB C 13 21.471 0.3 . 1 . . . . 81 A CB . 15935 1 753 . 1 1 65 65 ALA N N 15 129.913 0.3 . 1 . . . . 81 A N . 15935 1 754 . 1 1 66 66 GLY H H 1 8.671 0.02 . 1 . . . . 82 G HN . 15935 1 755 . 1 1 66 66 GLY HA2 H 1 4.202 0.02 . 2 . . . . 82 G HA1 . 15935 1 756 . 1 1 66 66 GLY HA3 H 1 5.072 0.02 . 2 . . . . 82 G HA2 . 15935 1 757 . 1 1 66 66 GLY C C 13 172.941 0.3 . 1 . . . . 82 G C . 15935 1 758 . 1 1 66 66 GLY CA C 13 44.101 0.3 . 1 . . . . 82 G CA . 15935 1 759 . 1 1 66 66 GLY N N 15 113.624 0.3 . 1 . . . . 82 G N . 15935 1 760 . 1 1 67 67 GLU H H 1 8.617 0.02 . 1 . . . . 83 E HN . 15935 1 761 . 1 1 67 67 GLU C C 13 172.941 0.3 . 1 . . . . 83 E C . 15935 1 762 . 1 1 67 67 GLU CA C 13 59.016 0.3 . 1 . . . . 83 E CA . 15935 1 763 . 1 1 67 67 GLU N N 15 119.783 0.3 . 1 . . . . 83 E N . 15935 1 764 . 1 1 68 68 ASN HA H 1 4.780 0.02 . 1 . . . . 84 N HA . 15935 1 765 . 1 1 68 68 ASN HB2 H 1 2.853 0.02 . 2 . . . . 84 N HB1 . 15935 1 766 . 1 1 68 68 ASN HB3 H 1 2.853 0.02 . 2 . . . . 84 N HB2 . 15935 1 767 . 1 1 68 68 ASN C C 13 173.840 0.3 . 1 . . . . 84 N C . 15935 1 768 . 1 1 68 68 ASN CA C 13 52.712 0.3 . 1 . . . . 84 N CA . 15935 1 769 . 1 1 68 68 ASN CB C 13 40.111 0.3 . 1 . . . . 84 N CB . 15935 1 770 . 1 1 69 69 LYS H H 1 7.062 0.02 . 1 . . . . 85 K HN . 15935 1 771 . 1 1 69 69 LYS HA H 1 4.299 0.02 . 1 . . . . 85 K HA . 15935 1 772 . 1 1 69 69 LYS HB2 H 1 1.005 0.02 . 2 . . . . 85 K HB1 . 15935 1 773 . 1 1 69 69 LYS HB3 H 1 0.858 0.02 . 2 . . . . 85 K HB2 . 15935 1 774 . 1 1 69 69 LYS HD2 H 1 1.366 0.02 . 2 . . . . 85 K HD1 . 15935 1 775 . 1 1 69 69 LYS HD3 H 1 1.286 0.02 . 2 . . . . 85 K HD2 . 15935 1 776 . 1 1 69 69 LYS HE2 H 1 2.761 0.02 . 2 . . . . 85 K HE1 . 15935 1 777 . 1 1 69 69 LYS HE3 H 1 2.650 0.02 . 2 . . . . 85 K HE2 . 15935 1 778 . 1 1 69 69 LYS HG2 H 1 0.793 0.02 . 2 . . . . 85 K HG1 . 15935 1 779 . 1 1 69 69 LYS HG3 H 1 0.793 0.02 . 2 . . . . 85 K HG2 . 15935 1 780 . 1 1 69 69 LYS C C 13 173.237 0.3 . 1 . . . . 85 K C . 15935 1 781 . 1 1 69 69 LYS CA C 13 55.379 0.3 . 1 . . . . 85 K CA . 15935 1 782 . 1 1 69 69 LYS CB C 13 36.094 0.3 . 1 . . . . 85 K CB . 15935 1 783 . 1 1 69 69 LYS CD C 13 29.420 0.3 . 1 . . . . 85 K CD . 15935 1 784 . 1 1 69 69 LYS CE C 13 41.729 0.3 . 1 . . . . 85 K CE . 15935 1 785 . 1 1 69 69 LYS CG C 13 24.139 0.3 . 1 . . . . 85 K CG . 15935 1 786 . 1 1 69 69 LYS N N 15 118.432 0.3 . 1 . . . . 85 K N . 15935 1 787 . 1 1 70 70 VAL H H 1 7.742 0.02 . 1 . . . . 86 V HN . 15935 1 788 . 1 1 70 70 VAL HA H 1 4.713 0.02 . 1 . . . . 86 V HA . 15935 1 789 . 1 1 70 70 VAL HB H 1 1.745 0.02 . 1 . . . . 86 V HB . 15935 1 790 . 1 1 70 70 VAL HG11 H 1 0.767 0.02 . 2 . . . . 86 V HG11 . 15935 1 791 . 1 1 70 70 VAL HG12 H 1 0.767 0.02 . 2 . . . . 86 V HG11 . 15935 1 792 . 1 1 70 70 VAL HG13 H 1 0.767 0.02 . 2 . . . . 86 V HG11 . 15935 1 793 . 1 1 70 70 VAL HG21 H 1 0.647 0.02 . 2 . . . . 86 V HG21 . 15935 1 794 . 1 1 70 70 VAL HG22 H 1 0.647 0.02 . 2 . . . . 86 V HG21 . 15935 1 795 . 1 1 70 70 VAL HG23 H 1 0.647 0.02 . 2 . . . . 86 V HG21 . 15935 1 796 . 1 1 70 70 VAL C C 13 174.745 0.3 . 1 . . . . 86 V C . 15935 1 797 . 1 1 70 70 VAL CA C 13 60.727 0.3 . 1 . . . . 86 V CA . 15935 1 798 . 1 1 70 70 VAL CB C 13 33.708 0.3 . 1 . . . . 86 V CB . 15935 1 799 . 1 1 70 70 VAL CG1 C 13 21.548 0.3 . 2 . . . . 86 V CG1 . 15935 1 800 . 1 1 70 70 VAL CG2 C 13 21.552 0.3 . 2 . . . . 86 V CG2 . 15935 1 801 . 1 1 70 70 VAL N N 15 120.063 0.3 . 1 . . . . 86 V N . 15935 1 802 . 1 1 71 71 TRP H H 1 9.528 0.02 . 1 . . . . 87 W HN . 15935 1 803 . 1 1 71 71 TRP HA H 1 4.914 0.02 . 1 . . . . 87 W HA . 15935 1 804 . 1 1 71 71 TRP HB2 H 1 3.098 0.02 . 2 . . . . 87 W HB1 . 15935 1 805 . 1 1 71 71 TRP HB3 H 1 2.916 0.02 . 2 . . . . 87 W HB2 . 15935 1 806 . 1 1 71 71 TRP HD1 H 1 7.210 0.02 . 1 . . . . 87 W HD1 . 15935 1 807 . 1 1 71 71 TRP HE3 H 1 7.406 0.02 . 1 . . . . 87 W HE3 . 15935 1 808 . 1 1 71 71 TRP HH2 H 1 7.264 0.02 . 1 . . . . 87 W HH2 . 15935 1 809 . 1 1 71 71 TRP HZ2 H 1 7.517 0.02 . 1 . . . . 87 W HZ2 . 15935 1 810 . 1 1 71 71 TRP HZ3 H 1 7.098 0.02 . 1 . . . . 87 W HZ3 . 15935 1 811 . 1 1 71 71 TRP C C 13 174.845 0.3 . 1 . . . . 87 W C . 15935 1 812 . 1 1 71 71 TRP CA C 13 57.048 0.3 . 1 . . . . 87 W CA . 15935 1 813 . 1 1 71 71 TRP CB C 13 32.968 0.3 . 1 . . . . 87 W CB . 15935 1 814 . 1 1 71 71 TRP CD1 C 13 127.376 0.3 . 1 . . . . 87 W CD1 . 15935 1 815 . 1 1 71 71 TRP CE3 C 13 119.615 0.3 . 1 . . . . 87 W CE3 . 15935 1 816 . 1 1 71 71 TRP CH2 C 13 124.575 0.3 . 1 . . . . 87 W CH2 . 15935 1 817 . 1 1 71 71 TRP CZ2 C 13 114.550 0.3 . 1 . . . . 87 W CZ2 . 15935 1 818 . 1 1 71 71 TRP CZ3 C 13 121.560 0.3 . 1 . . . . 87 W CZ3 . 15935 1 819 . 1 1 71 71 TRP N N 15 127.333 0.3 . 1 . . . . 87 W N . 15935 1 820 . 1 1 72 72 LYS H H 1 8.549 0.02 . 1 . . . . 88 K HN . 15935 1 821 . 1 1 72 72 LYS HA H 1 4.811 0.02 . 1 . . . . 88 K HA . 15935 1 822 . 1 1 72 72 LYS HB2 H 1 1.859 0.02 . 2 . . . . 88 K HB1 . 15935 1 823 . 1 1 72 72 LYS HB3 H 1 1.857 0.02 . 2 . . . . 88 K HB2 . 15935 1 824 . 1 1 72 72 LYS HD2 H 1 1.755 0.02 . 2 . . . . 88 K HD1 . 15935 1 825 . 1 1 72 72 LYS HD3 H 1 1.772 0.02 . 2 . . . . 88 K HD2 . 15935 1 826 . 1 1 72 72 LYS HE2 H 1 3.061 0.02 . 2 . . . . 88 K HE1 . 15935 1 827 . 1 1 72 72 LYS HE3 H 1 2.972 0.02 . 2 . . . . 88 K HE2 . 15935 1 828 . 1 1 72 72 LYS HG2 H 1 1.513 0.02 . 2 . . . . 88 K HG1 . 15935 1 829 . 1 1 72 72 LYS HG3 H 1 1.319 0.02 . 2 . . . . 88 K HG2 . 15935 1 830 . 1 1 72 72 LYS C C 13 175.348 0.3 . 1 . . . . 88 K C . 15935 1 831 . 1 1 72 72 LYS CA C 13 55.686 0.3 . 1 . . . . 88 K CA . 15935 1 832 . 1 1 72 72 LYS CB C 13 32.524 0.3 . 1 . . . . 88 K CB . 15935 1 833 . 1 1 72 72 LYS CD C 13 29.553 0.3 . 1 . . . . 88 K CD . 15935 1 834 . 1 1 72 72 LYS CE C 13 42.779 0.3 . 1 . . . . 88 K CE . 15935 1 835 . 1 1 72 72 LYS CG C 13 25.694 0.3 . 1 . . . . 88 K CG . 15935 1 836 . 1 1 72 72 LYS N N 15 123.585 0.3 . 1 . . . . 88 K N . 15935 1 837 . 1 1 73 73 VAL H H 1 8.794 0.02 . 1 . . . . 89 V HN . 15935 1 838 . 1 1 73 73 VAL HA H 1 4.361 0.02 . 1 . . . . 89 V HA . 15935 1 839 . 1 1 73 73 VAL HB H 1 1.805 0.02 . 1 . . . . 89 V HB . 15935 1 840 . 1 1 73 73 VAL HG11 H 1 0.781 0.02 . 2 . . . . 89 V HG11 . 15935 1 841 . 1 1 73 73 VAL HG12 H 1 0.781 0.02 . 2 . . . . 89 V HG11 . 15935 1 842 . 1 1 73 73 VAL HG13 H 1 0.781 0.02 . 2 . . . . 89 V HG11 . 15935 1 843 . 1 1 73 73 VAL HG21 H 1 0.588 0.02 . 2 . . . . 89 V HG21 . 15935 1 844 . 1 1 73 73 VAL HG22 H 1 0.588 0.02 . 2 . . . . 89 V HG21 . 15935 1 845 . 1 1 73 73 VAL HG23 H 1 0.588 0.02 . 2 . . . . 89 V HG21 . 15935 1 846 . 1 1 73 73 VAL CA C 13 58.362 0.3 . 1 . . . . 89 V CA . 15935 1 847 . 1 1 73 73 VAL CB C 13 34.604 0.3 . 1 . . . . 89 V CB . 15935 1 848 . 1 1 73 73 VAL N N 15 124.371 0.3 . 1 . . . . 89 V N . 15935 1 849 . 1 1 74 74 PRO HA H 1 5.057 0.02 . 1 . . . . 90 P HA . 15935 1 850 . 1 1 74 74 PRO HB2 H 1 2.340 0.02 . 2 . . . . 90 P HB1 . 15935 1 851 . 1 1 74 74 PRO HB3 H 1 1.967 0.02 . 2 . . . . 90 P HB2 . 15935 1 852 . 1 1 74 74 PRO C C 13 177.186 0.3 . 1 . . . . 90 P C . 15935 1 853 . 1 1 74 74 PRO CA C 13 61.614 0.3 . 1 . . . . 90 P CA . 15935 1 854 . 1 1 74 74 PRO CB C 13 31.636 0.3 . 1 . . . . 90 P CB . 15935 1 855 . 1 1 75 75 LYS H H 1 8.043 0.02 . 1 . . . . 91 K HN . 15935 1 856 . 1 1 75 75 LYS HA H 1 3.997 0.02 . 1 . . . . 91 K HA . 15935 1 857 . 1 1 75 75 LYS HB2 H 1 2.023 0.02 . 2 . . . . 91 K HB1 . 15935 1 858 . 1 1 75 75 LYS HB3 H 1 1.744 0.02 . 2 . . . . 91 K HB2 . 15935 1 859 . 1 1 75 75 LYS C C 13 178.450 0.3 . 1 . . . . 91 K C . 15935 1 860 . 1 1 75 75 LYS CA C 13 59.539 0.3 . 1 . . . . 91 K CA . 15935 1 861 . 1 1 75 75 LYS CB C 13 34.325 0.3 . 1 . . . . 91 K CB . 15935 1 862 . 1 1 75 75 LYS N N 15 121.001 0.3 . 1 . . . . 91 K N . 15935 1 863 . 1 1 76 76 ASP H H 1 8.474 0.02 . 1 . . . . 92 D HN . 15935 1 864 . 1 1 76 76 ASP HA H 1 3.744 0.02 . 1 . . . . 92 D HA . 15935 1 865 . 1 1 76 76 ASP HB2 H 1 2.866 0.02 . 2 . . . . 92 D HB1 . 15935 1 866 . 1 1 76 76 ASP HB3 H 1 2.565 0.02 . 2 . . . . 92 D HB2 . 15935 1 867 . 1 1 76 76 ASP C C 13 177.028 0.3 . 1 . . . . 92 D C . 15935 1 868 . 1 1 76 76 ASP CA C 13 56.868 0.3 . 1 . . . . 92 D CA . 15935 1 869 . 1 1 76 76 ASP CB C 13 39.350 0.3 . 1 . . . . 92 D CB . 15935 1 870 . 1 1 76 76 ASP N N 15 111.864 0.3 . 1 . . . . 92 D N . 15935 1 871 . 1 1 77 77 VAL H H 1 6.651 0.02 . 1 . . . . 93 V HN . 15935 1 872 . 1 1 77 77 VAL HA H 1 4.639 0.02 . 1 . . . . 93 V HA . 15935 1 873 . 1 1 77 77 VAL HB H 1 2.829 0.02 . 1 . . . . 93 V HB . 15935 1 874 . 1 1 77 77 VAL HG11 H 1 0.842 0.02 . 2 . . . . 93 V HG11 . 15935 1 875 . 1 1 77 77 VAL HG12 H 1 0.842 0.02 . 2 . . . . 93 V HG11 . 15935 1 876 . 1 1 77 77 VAL HG13 H 1 0.842 0.02 . 2 . . . . 93 V HG11 . 15935 1 877 . 1 1 77 77 VAL HG21 H 1 0.883 0.02 . 2 . . . . 93 V HG21 . 15935 1 878 . 1 1 77 77 VAL HG22 H 1 0.883 0.02 . 2 . . . . 93 V HG21 . 15935 1 879 . 1 1 77 77 VAL HG23 H 1 0.883 0.02 . 2 . . . . 93 V HG21 . 15935 1 880 . 1 1 77 77 VAL C C 13 176.466 0.3 . 1 . . . . 93 V C . 15935 1 881 . 1 1 77 77 VAL CA C 13 60.130 0.3 . 1 . . . . 93 V CA . 15935 1 882 . 1 1 77 77 VAL CB C 13 31.041 0.3 . 1 . . . . 93 V CB . 15935 1 883 . 1 1 77 77 VAL CG1 C 13 18.572 0.3 . 2 . . . . 93 V CG1 . 15935 1 884 . 1 1 77 77 VAL CG2 C 13 21.095 0.3 . 2 . . . . 93 V CG2 . 15935 1 885 . 1 1 77 77 VAL N N 15 107.879 0.3 . 1 . . . . 93 V N . 15935 1 886 . 1 1 78 78 CYS H H 1 7.206 0.02 . 1 . . . . 94 C HN . 15935 1 887 . 1 1 78 78 CYS HA H 1 5.018 0.02 . 1 . . . . 94 C HA . 15935 1 888 . 1 1 78 78 CYS HB2 H 1 1.981 0.02 . 2 . . . . 94 C HB1 . 15935 1 889 . 1 1 78 78 CYS HB3 H 1 1.655 0.02 . 2 . . . . 94 C HB2 . 15935 1 890 . 1 1 78 78 CYS C C 13 173.026 0.3 . 1 . . . . 94 C C . 15935 1 891 . 1 1 78 78 CYS CA C 13 58.059 0.3 . 1 . . . . 94 C CA . 15935 1 892 . 1 1 78 78 CYS CB C 13 31.372 0.3 . 1 . . . . 94 C CB . 15935 1 893 . 1 1 78 78 CYS N N 15 117.946 0.3 . 1 . . . . 94 C N . 15935 1 894 . 1 1 79 79 ILE H H 1 8.132 0.02 . 1 . . . . 95 I HN . 15935 1 895 . 1 1 79 79 ILE HA H 1 4.121 0.02 . 1 . . . . 95 I HA . 15935 1 896 . 1 1 79 79 ILE HB H 1 1.585 0.02 . 1 . . . . 95 I HB . 15935 1 897 . 1 1 79 79 ILE HD11 H 1 0.779 0.02 . 1 . . . . 95 I HD11 . 15935 1 898 . 1 1 79 79 ILE HD12 H 1 0.779 0.02 . 1 . . . . 95 I HD11 . 15935 1 899 . 1 1 79 79 ILE HD13 H 1 0.779 0.02 . 1 . . . . 95 I HD11 . 15935 1 900 . 1 1 79 79 ILE HG12 H 1 1.117 0.02 . 2 . . . . 95 I HG11 . 15935 1 901 . 1 1 79 79 ILE HG13 H 1 1.116 0.02 . 2 . . . . 95 I HG12 . 15935 1 902 . 1 1 79 79 ILE HG21 H 1 0.689 0.02 . 1 . . . . 95 I HG21 . 15935 1 903 . 1 1 79 79 ILE HG22 H 1 0.689 0.02 . 1 . . . . 95 I HG21 . 15935 1 904 . 1 1 79 79 ILE HG23 H 1 0.689 0.02 . 1 . . . . 95 I HG21 . 15935 1 905 . 1 1 79 79 ILE C C 13 174.688 0.3 . 1 . . . . 95 I C . 15935 1 906 . 1 1 79 79 ILE CA C 13 61.024 0.3 . 1 . . . . 95 I CA . 15935 1 907 . 1 1 79 79 ILE CB C 13 38.069 0.3 . 1 . . . . 95 I CB . 15935 1 908 . 1 1 79 79 ILE CD1 C 13 11.745 0.3 . 1 . . . . 95 I CD1 . 15935 1 909 . 1 1 79 79 ILE CG1 C 13 27.180 0.3 . 1 . . . . 95 I CG1 . 15935 1 910 . 1 1 79 79 ILE CG2 C 13 16.937 0.3 . 1 . . . . 95 I CG2 . 15935 1 911 . 1 1 79 79 ILE N N 15 121.854 0.3 . 1 . . . . 95 I N . 15935 1 912 . 1 1 80 80 PHE H H 1 8.373 0.02 . 1 . . . . 96 F HN . 15935 1 913 . 1 1 80 80 PHE HA H 1 4.964 0.02 . 1 . . . . 96 F HA . 15935 1 914 . 1 1 80 80 PHE HB2 H 1 2.540 0.02 . 2 . . . . 96 F HB1 . 15935 1 915 . 1 1 80 80 PHE HB3 H 1 2.179 0.02 . 2 . . . . 96 F HB2 . 15935 1 916 . 1 1 80 80 PHE HD1 H 1 6.969 0.02 . 3 . . . . 96 F HD1 . 15935 1 917 . 1 1 80 80 PHE HD2 H 1 6.969 0.02 . 3 . . . . 96 F HD2 . 15935 1 918 . 1 1 80 80 PHE C C 13 173.998 0.3 . 1 . . . . 96 F C . 15935 1 919 . 1 1 80 80 PHE CA C 13 56.855 0.3 . 1 . . . . 96 F CA . 15935 1 920 . 1 1 80 80 PHE CB C 13 43.949 0.3 . 1 . . . . 96 F CB . 15935 1 921 . 1 1 80 80 PHE CD1 C 13 132.988 0.3 . 3 . . . . 96 F CD1 . 15935 1 922 . 1 1 80 80 PHE CD2 C 13 132.988 0.3 . 3 . . . . 96 F CD2 . 15935 1 923 . 1 1 80 80 PHE N N 15 125.867 0.3 . 1 . . . . 96 F N . 15935 1 924 . 1 1 81 81 GLU H H 1 8.963 0.02 . 1 . . . . 97 E HN . 15935 1 925 . 1 1 81 81 GLU HA H 1 5.252 0.02 . 1 . . . . 97 E HA . 15935 1 926 . 1 1 81 81 GLU HB2 H 1 1.991 0.02 . 2 . . . . 97 E HB1 . 15935 1 927 . 1 1 81 81 GLU HB3 H 1 1.575 0.02 . 2 . . . . 97 E HB2 . 15935 1 928 . 1 1 81 81 GLU HG2 H 1 1.803 0.02 . 2 . . . . 97 E HG1 . 15935 1 929 . 1 1 81 81 GLU HG3 H 1 1.803 0.02 . 2 . . . . 97 E HG2 . 15935 1 930 . 1 1 81 81 GLU C C 13 175.564 0.3 . 1 . . . . 97 E C . 15935 1 931 . 1 1 81 81 GLU CA C 13 55.085 0.3 . 1 . . . . 97 E CA . 15935 1 932 . 1 1 81 81 GLU CB C 13 33.708 0.3 . 1 . . . . 97 E CB . 15935 1 933 . 1 1 81 81 GLU CG C 13 38.457 0.3 . 1 . . . . 97 E CG . 15935 1 934 . 1 1 81 81 GLU N N 15 121.013 0.3 . 1 . . . . 97 E N . 15935 1 935 . 1 1 82 82 PHE H H 1 9.276 0.02 . 1 . . . . 98 F HN . 15935 1 936 . 1 1 82 82 PHE HA H 1 5.301 0.02 . 1 . . . . 98 F HA . 15935 1 937 . 1 1 82 82 PHE HB2 H 1 2.846 0.02 . 2 . . . . 98 F HB1 . 15935 1 938 . 1 1 82 82 PHE HB3 H 1 2.614 0.02 . 2 . . . . 98 F HB2 . 15935 1 939 . 1 1 82 82 PHE HD1 H 1 7.066 0.02 . 3 . . . . 98 F HD1 . 15935 1 940 . 1 1 82 82 PHE HD2 H 1 7.066 0.02 . 3 . . . . 98 F HD2 . 15935 1 941 . 1 1 82 82 PHE HE1 H 1 6.802 0.02 . 3 . . . . 98 F HE1 . 15935 1 942 . 1 1 82 82 PHE HE2 H 1 6.802 0.02 . 3 . . . . 98 F HE2 . 15935 1 943 . 1 1 82 82 PHE HZ H 1 6.357 0.02 . 1 . . . . 98 F HZ . 15935 1 944 . 1 1 82 82 PHE C C 13 174.630 0.3 . 1 . . . . 98 F C . 15935 1 945 . 1 1 82 82 PHE CA C 13 57.162 0.3 . 1 . . . . 98 F CA . 15935 1 946 . 1 1 82 82 PHE CB C 13 42.021 0.3 . 1 . . . . 98 F CB . 15935 1 947 . 1 1 82 82 PHE CD1 C 13 132.512 0.3 . 3 . . . . 98 F CD1 . 15935 1 948 . 1 1 82 82 PHE CD2 C 13 132.513 0.3 . 3 . . . . 98 F CD2 . 15935 1 949 . 1 1 82 82 PHE CE1 C 13 130.504 0.3 . 3 . . . . 98 F CE1 . 15935 1 950 . 1 1 82 82 PHE CE2 C 13 130.504 0.3 . 3 . . . . 98 F CE2 . 15935 1 951 . 1 1 82 82 PHE CZ C 13 128.496 0.3 . 1 . . . . 98 F CZ . 15935 1 952 . 1 1 82 82 PHE N N 15 128.506 0.3 . 1 . . . . 98 F N . 15935 1 953 . 1 1 83 83 GLU H H 1 8.691 0.02 . 1 . . . . 99 E HN . 15935 1 954 . 1 1 83 83 GLU HA H 1 5.411 0.02 . 1 . . . . 99 E HA . 15935 1 955 . 1 1 83 83 GLU HB2 H 1 1.765 0.02 . 2 . . . . 99 E HB1 . 15935 1 956 . 1 1 83 83 GLU HB3 H 1 1.735 0.02 . 2 . . . . 99 E HB2 . 15935 1 957 . 1 1 83 83 GLU HG2 H 1 2.339 0.02 . 2 . . . . 99 E HG1 . 15935 1 958 . 1 1 83 83 GLU HG3 H 1 1.945 0.02 . 2 . . . . 99 E HG2 . 15935 1 959 . 1 1 83 83 GLU C C 13 176.325 0.3 . 1 . . . . 99 E C . 15935 1 960 . 1 1 83 83 GLU CA C 13 54.204 0.3 . 1 . . . . 99 E CA . 15935 1 961 . 1 1 83 83 GLU CB C 13 33.188 0.3 . 1 . . . . 99 E CB . 15935 1 962 . 1 1 83 83 GLU CG C 13 36.679 0.3 . 1 . . . . 99 E CG . 15935 1 963 . 1 1 83 83 GLU N N 15 122.887 0.3 . 1 . . . . 99 E N . 15935 1 964 . 1 1 84 84 THR H H 1 8.552 0.02 . 1 . . . . 100 T HN . 15935 1 965 . 1 1 84 84 THR HA H 1 4.561 0.02 . 1 . . . . 100 T HA . 15935 1 966 . 1 1 84 84 THR HB H 1 4.777 0.02 . 1 . . . . 100 T HB . 15935 1 967 . 1 1 84 84 THR HG21 H 1 1.074 0.02 . 1 . . . . 100 T HG21 . 15935 1 968 . 1 1 84 84 THR HG22 H 1 1.074 0.02 . 1 . . . . 100 T HG21 . 15935 1 969 . 1 1 84 84 THR HG23 H 1 1.074 0.02 . 1 . . . . 100 T HG21 . 15935 1 970 . 1 1 84 84 THR C C 13 177.114 0.3 . 1 . . . . 100 T C . 15935 1 971 . 1 1 84 84 THR CA C 13 60.717 0.3 . 1 . . . . 100 T CA . 15935 1 972 . 1 1 84 84 THR CB C 13 70.223 0.3 . 1 . . . . 100 T CB . 15935 1 973 . 1 1 84 84 THR CG2 C 13 22.117 0.3 . 1 . . . . 100 T CG2 . 15935 1 974 . 1 1 84 84 THR N N 15 116.213 0.3 . 1 . . . . 100 T N . 15935 1 975 . 1 1 85 85 TRP H H 1 9.248 0.02 . 1 . . . . 101 W HN . 15935 1 976 . 1 1 85 85 TRP HA H 1 4.550 0.02 . 1 . . . . 101 W HA . 15935 1 977 . 1 1 85 85 TRP HB2 H 1 3.882 0.02 . 2 . . . . 101 W HB1 . 15935 1 978 . 1 1 85 85 TRP HB3 H 1 3.615 0.02 . 2 . . . . 101 W HB2 . 15935 1 979 . 1 1 85 85 TRP HD1 H 1 7.504 0.02 . 1 . . . . 101 W HD1 . 15935 1 980 . 1 1 85 85 TRP HE3 H 1 7.672 0.02 . 1 . . . . 101 W HE3 . 15935 1 981 . 1 1 85 85 TRP HH2 H 1 7.101 0.02 . 1 . . . . 101 W HH2 . 15935 1 982 . 1 1 85 85 TRP HZ2 H 1 7.349 0.02 . 1 . . . . 101 W HZ2 . 15935 1 983 . 1 1 85 85 TRP HZ3 H 1 7.169 0.02 . 1 . . . . 101 W HZ3 . 15935 1 984 . 1 1 85 85 TRP C C 13 176.396 0.3 . 1 . . . . 101 W C . 15935 1 985 . 1 1 85 85 TRP CA C 13 60.053 0.3 . 1 . . . . 101 W CA . 15935 1 986 . 1 1 85 85 TRP CB C 13 28.664 0.3 . 1 . . . . 101 W CB . 15935 1 987 . 1 1 85 85 TRP CD1 C 13 127.270 0.3 . 1 . . . . 101 W CD1 . 15935 1 988 . 1 1 85 85 TRP CE3 C 13 120.916 0.3 . 1 . . . . 101 W CE3 . 15935 1 989 . 1 1 85 85 TRP CH2 C 13 124.465 0.3 . 1 . . . . 101 W CH2 . 15935 1 990 . 1 1 85 85 TRP CZ2 C 13 114.438 0.3 . 1 . . . . 101 W CZ2 . 15935 1 991 . 1 1 85 85 TRP CZ3 C 13 121.988 0.3 . 1 . . . . 101 W CZ3 . 15935 1 992 . 1 1 85 85 TRP N N 15 122.175 0.3 . 1 . . . . 101 W N . 15935 1 993 . 1 1 86 86 ASP H H 1 7.520 0.02 . 1 . . . . 102 D HN . 15935 1 994 . 1 1 86 86 ASP HA H 1 4.092 0.02 . 1 . . . . 102 D HA . 15935 1 995 . 1 1 86 86 ASP HB2 H 1 2.664 0.02 . 2 . . . . 102 D HB1 . 15935 1 996 . 1 1 86 86 ASP HB3 H 1 1.468 0.02 . 2 . . . . 102 D HB2 . 15935 1 997 . 1 1 86 86 ASP C C 13 176.655 0.3 . 1 . . . . 102 D C . 15935 1 998 . 1 1 86 86 ASP CA C 13 52.709 0.3 . 1 . . . . 102 D CA . 15935 1 999 . 1 1 86 86 ASP CB C 13 39.106 0.3 . 1 . . . . 102 D CB . 15935 1 1000 . 1 1 86 86 ASP N N 15 115.618 0.3 . 1 . . . . 102 D N . 15935 1 1001 . 1 1 87 87 GLY H H 1 7.872 0.02 . 1 . . . . 103 G HN . 15935 1 1002 . 1 1 87 87 GLY HA2 H 1 4.182 0.02 . 2 . . . . 103 G HA1 . 15935 1 1003 . 1 1 87 87 GLY HA3 H 1 3.654 0.02 . 2 . . . . 103 G HA2 . 15935 1 1004 . 1 1 87 87 GLY C C 13 174.501 0.3 . 1 . . . . 103 G C . 15935 1 1005 . 1 1 87 87 GLY CA C 13 44.995 0.3 . 1 . . . . 103 G CA . 15935 1 1006 . 1 1 87 87 GLY N N 15 108.127 0.3 . 1 . . . . 103 G N . 15935 1 1007 . 1 1 88 88 THR H H 1 7.661 0.02 . 1 . . . . 104 T HN . 15935 1 1008 . 1 1 88 88 THR HA H 1 4.001 0.02 . 1 . . . . 104 T HA . 15935 1 1009 . 1 1 88 88 THR HB H 1 4.298 0.02 . 1 . . . . 104 T HB . 15935 1 1010 . 1 1 88 88 THR HG21 H 1 1.176 0.02 . 1 . . . . 104 T HG21 . 15935 1 1011 . 1 1 88 88 THR HG22 H 1 1.176 0.02 . 1 . . . . 104 T HG21 . 15935 1 1012 . 1 1 88 88 THR HG23 H 1 1.176 0.02 . 1 . . . . 104 T HG21 . 15935 1 1013 . 1 1 88 88 THR C C 13 173.424 0.3 . 1 . . . . 104 T C . 15935 1 1014 . 1 1 88 88 THR CA C 13 64.287 0.3 . 1 . . . . 104 T CA . 15935 1 1015 . 1 1 88 88 THR CB C 13 68.417 0.3 . 1 . . . . 104 T CB . 15935 1 1016 . 1 1 88 88 THR CG2 C 13 21.260 0.3 . 1 . . . . 104 T CG2 . 15935 1 1017 . 1 1 88 88 THR N N 15 119.833 0.3 . 1 . . . . 104 T N . 15935 1 1018 . 1 1 89 89 LYS H H 1 8.275 0.02 . 1 . . . . 105 K HN . 15935 1 1019 . 1 1 89 89 LYS HA H 1 5.411 0.02 . 1 . . . . 105 K HA . 15935 1 1020 . 1 1 89 89 LYS HB2 H 1 1.715 0.02 . 2 . . . . 105 K HB1 . 15935 1 1021 . 1 1 89 89 LYS HB3 H 1 1.486 0.02 . 2 . . . . 105 K HB2 . 15935 1 1022 . 1 1 89 89 LYS HD2 H 1 1.602 0.02 . 2 . . . . 105 K HD1 . 15935 1 1023 . 1 1 89 89 LYS HD3 H 1 1.521 0.02 . 2 . . . . 105 K HD2 . 15935 1 1024 . 1 1 89 89 LYS HE2 H 1 2.912 0.02 . 2 . . . . 105 K HE1 . 15935 1 1025 . 1 1 89 89 LYS HE3 H 1 2.872 0.02 . 2 . . . . 105 K HE2 . 15935 1 1026 . 1 1 89 89 LYS HG2 H 1 1.475 0.02 . 2 . . . . 105 K HG1 . 15935 1 1027 . 1 1 89 89 LYS HG3 H 1 1.288 0.02 . 2 . . . . 105 K HG2 . 15935 1 1028 . 1 1 89 89 LYS C C 13 177.043 0.3 . 1 . . . . 105 K C . 15935 1 1029 . 1 1 89 89 LYS CA C 13 54.483 0.3 . 1 . . . . 105 K CA . 15935 1 1030 . 1 1 89 89 LYS CB C 13 34.304 0.3 . 1 . . . . 105 K CB . 15935 1 1031 . 1 1 89 89 LYS CD C 13 28.961 0.3 . 1 . . . . 105 K CD . 15935 1 1032 . 1 1 89 89 LYS CE C 13 42.482 0.3 . 1 . . . . 105 K CE . 15935 1 1033 . 1 1 89 89 LYS CG C 13 25.400 0.3 . 1 . . . . 105 K CG . 15935 1 1034 . 1 1 89 89 LYS N N 15 125.456 0.3 . 1 . . . . 105 K N . 15935 1 1035 . 1 1 90 90 ILE H H 1 9.210 0.02 . 1 . . . . 106 I HN . 15935 1 1036 . 1 1 90 90 ILE HA H 1 4.246 0.02 . 1 . . . . 106 I HA . 15935 1 1037 . 1 1 90 90 ILE HB H 1 1.634 0.02 . 1 . . . . 106 I HB . 15935 1 1038 . 1 1 90 90 ILE HD11 H 1 0.527 0.02 . 1 . . . . 106 I HD11 . 15935 1 1039 . 1 1 90 90 ILE HD12 H 1 0.527 0.02 . 1 . . . . 106 I HD11 . 15935 1 1040 . 1 1 90 90 ILE HD13 H 1 0.527 0.02 . 1 . . . . 106 I HD11 . 15935 1 1041 . 1 1 90 90 ILE HG12 H 1 1.365 0.02 . 2 . . . . 106 I HG11 . 15935 1 1042 . 1 1 90 90 ILE HG13 H 1 1.363 0.02 . 2 . . . . 106 I HG12 . 15935 1 1043 . 1 1 90 90 ILE HG21 H 1 0.775 0.02 . 1 . . . . 106 I HG21 . 15935 1 1044 . 1 1 90 90 ILE HG22 H 1 0.775 0.02 . 1 . . . . 106 I HG21 . 15935 1 1045 . 1 1 90 90 ILE HG23 H 1 0.775 0.02 . 1 . . . . 106 I HG21 . 15935 1 1046 . 1 1 90 90 ILE C C 13 174.113 0.3 . 1 . . . . 106 I C . 15935 1 1047 . 1 1 90 90 ILE CA C 13 60.431 0.3 . 1 . . . . 106 I CA . 15935 1 1048 . 1 1 90 90 ILE CB C 13 41.744 0.3 . 1 . . . . 106 I CB . 15935 1 1049 . 1 1 90 90 ILE CD1 C 13 15.010 0.3 . 1 . . . . 106 I CD1 . 15935 1 1050 . 1 1 90 90 ILE CG1 C 13 28.667 0.3 . 1 . . . . 106 I CG1 . 15935 1 1051 . 1 1 90 90 ILE CG2 C 13 18.573 0.3 . 1 . . . . 106 I CG2 . 15935 1 1052 . 1 1 90 90 ILE N N 15 124.521 0.3 . 1 . . . . 106 I N . 15935 1 1053 . 1 1 91 91 LYS H H 1 8.628 0.02 . 1 . . . . 107 K HN . 15935 1 1054 . 1 1 91 91 LYS HA H 1 5.571 0.02 . 1 . . . . 107 K HA . 15935 1 1055 . 1 1 91 91 LYS HB2 H 1 1.775 0.02 . 2 . . . . 107 K HB1 . 15935 1 1056 . 1 1 91 91 LYS HB3 H 1 1.715 0.02 . 2 . . . . 107 K HB2 . 15935 1 1057 . 1 1 91 91 LYS HD2 H 1 1.678 0.02 . 2 . . . . 107 K HD1 . 15935 1 1058 . 1 1 91 91 LYS HD3 H 1 1.676 0.02 . 2 . . . . 107 K HD2 . 15935 1 1059 . 1 1 91 91 LYS HE2 H 1 2.872 0.02 . 2 . . . . 107 K HE1 . 15935 1 1060 . 1 1 91 91 LYS HE3 H 1 2.842 0.02 . 2 . . . . 107 K HE2 . 15935 1 1061 . 1 1 91 91 LYS HG2 H 1 1.368 0.02 . 2 . . . . 107 K HG1 . 15935 1 1062 . 1 1 91 91 LYS HG3 H 1 1.207 0.02 . 2 . . . . 107 K HG2 . 15935 1 1063 . 1 1 91 91 LYS C C 13 175.635 0.3 . 1 . . . . 107 K C . 15935 1 1064 . 1 1 91 91 LYS CA C 13 55.087 0.3 . 1 . . . . 107 K CA . 15935 1 1065 . 1 1 91 91 LYS CB C 13 33.666 0.3 . 1 . . . . 107 K CB . 15935 1 1066 . 1 1 91 91 LYS CD C 13 29.302 0.3 . 1 . . . . 107 K CD . 15935 1 1067 . 1 1 91 91 LYS CE C 13 42.185 0.3 . 1 . . . . 107 K CE . 15935 1 1068 . 1 1 91 91 LYS CG C 13 25.400 0.3 . 1 . . . . 107 K CG . 15935 1 1069 . 1 1 91 91 LYS N N 15 130.851 0.3 . 1 . . . . 107 K N . 15935 1 1070 . 1 1 92 92 ILE H H 1 9.417 0.02 . 1 . . . . 108 I HN . 15935 1 1071 . 1 1 92 92 ILE HA H 1 4.707 0.02 . 1 . . . . 108 I HA . 15935 1 1072 . 1 1 92 92 ILE HB H 1 1.778 0.02 . 1 . . . . 108 I HB . 15935 1 1073 . 1 1 92 92 ILE HD11 H 1 0.806 0.02 . 1 . . . . 108 I HD11 . 15935 1 1074 . 1 1 92 92 ILE HD12 H 1 0.806 0.02 . 1 . . . . 108 I HD11 . 15935 1 1075 . 1 1 92 92 ILE HD13 H 1 0.806 0.02 . 1 . . . . 108 I HD11 . 15935 1 1076 . 1 1 92 92 ILE HG12 H 1 1.363 0.02 . 2 . . . . 108 I HG11 . 15935 1 1077 . 1 1 92 92 ILE HG13 H 1 1.392 0.02 . 2 . . . . 108 I HG12 . 15935 1 1078 . 1 1 92 92 ILE HG21 H 1 1.076 0.02 . 1 . . . . 108 I HG21 . 15935 1 1079 . 1 1 92 92 ILE HG22 H 1 1.076 0.02 . 1 . . . . 108 I HG21 . 15935 1 1080 . 1 1 92 92 ILE HG23 H 1 1.076 0.02 . 1 . . . . 108 I HG21 . 15935 1 1081 . 1 1 92 92 ILE C C 13 172.548 0.3 . 1 . . . . 108 I C . 15935 1 1082 . 1 1 92 92 ILE CA C 13 59.236 0.3 . 1 . . . . 108 I CA . 15935 1 1083 . 1 1 92 92 ILE CB C 13 42.320 0.3 . 1 . . . . 108 I CB . 15935 1 1084 . 1 1 92 92 ILE CD1 C 13 15.010 0.3 . 1 . . . . 108 I CD1 . 15935 1 1085 . 1 1 92 92 ILE CG1 C 13 28.964 0.3 . 1 . . . . 108 I CG1 . 15935 1 1086 . 1 1 92 92 ILE CG2 C 13 16.198 0.3 . 1 . . . . 108 I CG2 . 15935 1 1087 . 1 1 92 92 ILE N N 15 125.342 0.3 . 1 . . . . 108 I N . 15935 1 1088 . 1 1 93 93 SER H H 1 8.460 0.02 . 1 . . . . 109 S HN . 15935 1 1089 . 1 1 93 93 SER HA H 1 4.476 0.02 . 1 . . . . 109 S HA . 15935 1 1090 . 1 1 93 93 SER HB2 H 1 4.018 0.02 . 2 . . . . 109 S HB1 . 15935 1 1091 . 1 1 93 93 SER HB3 H 1 3.956 0.02 . 2 . . . . 109 S HB2 . 15935 1 1092 . 1 1 93 93 SER C C 13 176.540 0.3 . 1 . . . . 109 S C . 15935 1 1093 . 1 1 93 93 SER CA C 13 58.813 0.3 . 1 . . . . 109 S CA . 15935 1 1094 . 1 1 93 93 SER CB C 13 63.105 0.3 . 1 . . . . 109 S CB . 15935 1 1095 . 1 1 93 93 SER N N 15 122.652 0.3 . 1 . . . . 109 S N . 15935 1 1096 . 1 1 94 94 GLY H H 1 9.268 0.02 . 1 . . . . 110 G HN . 15935 1 1097 . 1 1 94 94 GLY HA2 H 1 5.152 0.02 . 2 . . . . 110 G HA1 . 15935 1 1098 . 1 1 94 94 GLY HA3 H 1 3.721 0.02 . 2 . . . . 110 G HA2 . 15935 1 1099 . 1 1 94 94 GLY C C 13 176.913 0.3 . 1 . . . . 110 G C . 15935 1 1100 . 1 1 94 94 GLY CA C 13 47.966 0.3 . 1 . . . . 110 G CA . 15935 1 1101 . 1 1 94 94 GLY N N 15 116.554 0.3 . 1 . . . . 110 G N . 15935 1 1102 . 1 1 95 95 GLU H H 1 8.552 0.02 . 1 . . . . 111 E HN . 15935 1 1103 . 1 1 95 95 GLU HA H 1 4.037 0.02 . 1 . . . . 111 E HA . 15935 1 1104 . 1 1 95 95 GLU HB2 H 1 2.171 0.02 . 2 . . . . 111 E HB1 . 15935 1 1105 . 1 1 95 95 GLU HB3 H 1 2.111 0.02 . 2 . . . . 111 E HB2 . 15935 1 1106 . 1 1 95 95 GLU HG2 H 1 2.383 0.02 . 2 . . . . 111 E HG1 . 15935 1 1107 . 1 1 95 95 GLU HG3 H 1 2.268 0.02 . 2 . . . . 111 E HG2 . 15935 1 1108 . 1 1 95 95 GLU C C 13 178.866 0.3 . 1 . . . . 111 E C . 15935 1 1109 . 1 1 95 95 GLU CA C 13 59.238 0.3 . 1 . . . . 111 E CA . 15935 1 1110 . 1 1 95 95 GLU CB C 13 28.668 0.3 . 1 . . . . 111 E CB . 15935 1 1111 . 1 1 95 95 GLU CG C 13 35.792 0.3 . 1 . . . . 111 E CG . 15935 1 1112 . 1 1 95 95 GLU N N 15 120.531 0.3 . 1 . . . . 111 E N . 15935 1 1113 . 1 1 96 96 LYS H H 1 7.579 0.02 . 1 . . . . 112 K HN . 15935 1 1114 . 1 1 96 96 LYS HA H 1 4.223 0.02 . 1 . . . . 112 K HA . 15935 1 1115 . 1 1 96 96 LYS HB2 H 1 1.915 0.02 . 2 . . . . 112 K HB1 . 15935 1 1116 . 1 1 96 96 LYS HB3 H 1 1.885 0.02 . 2 . . . . 112 K HB2 . 15935 1 1117 . 1 1 96 96 LYS HD2 H 1 1.787 0.02 . 2 . . . . 112 K HD1 . 15935 1 1118 . 1 1 96 96 LYS HD3 H 1 1.732 0.02 . 2 . . . . 112 K HD2 . 15935 1 1119 . 1 1 96 96 LYS HE2 H 1 3.061 0.02 . 2 . . . . 112 K HE1 . 15935 1 1120 . 1 1 96 96 LYS HE3 H 1 2.992 0.02 . 2 . . . . 112 K HE2 . 15935 1 1121 . 1 1 96 96 LYS HG2 H 1 1.408 0.02 . 2 . . . . 112 K HG1 . 15935 1 1122 . 1 1 96 96 LYS HG3 H 1 1.408 0.02 . 2 . . . . 112 K HG2 . 15935 1 1123 . 1 1 96 96 LYS C C 13 176.770 0.3 . 1 . . . . 112 K C . 15935 1 1124 . 1 1 96 96 LYS CA C 13 57.461 0.3 . 1 . . . . 112 K CA . 15935 1 1125 . 1 1 96 96 LYS CB C 13 32.227 0.3 . 1 . . . . 112 K CB . 15935 1 1126 . 1 1 96 96 LYS CD C 13 28.992 0.3 . 1 . . . . 112 K CD . 15935 1 1127 . 1 1 96 96 LYS CE C 13 42.779 0.3 . 1 . . . . 112 K CE . 15935 1 1128 . 1 1 96 96 LYS CG C 13 24.807 0.3 . 1 . . . . 112 K CG . 15935 1 1129 . 1 1 96 96 LYS N N 15 116.664 0.3 . 1 . . . . 112 K N . 15935 1 1130 . 1 1 97 97 LEU H H 1 7.756 0.02 . 1 . . . . 113 L HN . 15935 1 1131 . 1 1 97 97 LEU HA H 1 4.337 0.02 . 1 . . . . 113 L HA . 15935 1 1132 . 1 1 97 97 LEU HB2 H 1 1.827 0.02 . 2 . . . . 113 L HB1 . 15935 1 1133 . 1 1 97 97 LEU HB3 H 1 1.534 0.02 . 2 . . . . 113 L HB2 . 15935 1 1134 . 1 1 97 97 LEU HD11 H 1 0.689 0.02 . 2 . . . . 113 L HD11 . 15935 1 1135 . 1 1 97 97 LEU HD12 H 1 0.689 0.02 . 2 . . . . 113 L HD11 . 15935 1 1136 . 1 1 97 97 LEU HD13 H 1 0.689 0.02 . 2 . . . . 113 L HD11 . 15935 1 1137 . 1 1 97 97 LEU HD21 H 1 0.898 0.02 . 2 . . . . 113 L HD21 . 15935 1 1138 . 1 1 97 97 LEU HD22 H 1 0.898 0.02 . 2 . . . . 113 L HD21 . 15935 1 1139 . 1 1 97 97 LEU HD23 H 1 0.898 0.02 . 2 . . . . 113 L HD21 . 15935 1 1140 . 1 1 97 97 LEU HG H 1 1.534 0.02 . 1 . . . . 113 L HG . 15935 1 1141 . 1 1 97 97 LEU C C 13 176.081 0.3 . 1 . . . . 113 L C . 15935 1 1142 . 1 1 97 97 LEU CA C 13 52.700 0.3 . 1 . . . . 113 L CA . 15935 1 1143 . 1 1 97 97 LEU CB C 13 42.623 0.3 . 1 . . . . 113 L CB . 15935 1 1144 . 1 1 97 97 LEU CD1 C 13 21.915 0.3 . 2 . . . . 113 L CD1 . 15935 1 1145 . 1 1 97 97 LEU CD2 C 13 25.699 0.3 . 2 . . . . 113 L CD2 . 15935 1 1146 . 1 1 97 97 LEU CG C 13 27.346 0.3 . 1 . . . . 113 L CG . 15935 1 1147 . 1 1 97 97 LEU N N 15 114.309 0.3 . 1 . . . . 113 L N . 15935 1 1148 . 1 1 98 98 VAL H H 1 6.996 0.02 . 1 . . . . 114 V HN . 15935 1 1149 . 1 1 98 98 VAL HA H 1 3.687 0.02 . 1 . . . . 114 V HA . 15935 1 1150 . 1 1 98 98 VAL HB H 1 2.054 0.02 . 1 . . . . 114 V HB . 15935 1 1151 . 1 1 98 98 VAL HG11 H 1 1.249 0.02 . 2 . . . . 114 V HG11 . 15935 1 1152 . 1 1 98 98 VAL HG12 H 1 1.249 0.02 . 2 . . . . 114 V HG11 . 15935 1 1153 . 1 1 98 98 VAL HG13 H 1 1.249 0.02 . 2 . . . . 114 V HG11 . 15935 1 1154 . 1 1 98 98 VAL HG21 H 1 0.984 0.02 . 2 . . . . 114 V HG21 . 15935 1 1155 . 1 1 98 98 VAL HG22 H 1 0.984 0.02 . 2 . . . . 114 V HG21 . 15935 1 1156 . 1 1 98 98 VAL HG23 H 1 0.984 0.02 . 2 . . . . 114 V HG21 . 15935 1 1157 . 1 1 98 98 VAL C C 13 175.434 0.3 . 1 . . . . 114 V C . 15935 1 1158 . 1 1 98 98 VAL CA C 13 65.480 0.3 . 1 . . . . 114 V CA . 15935 1 1159 . 1 1 98 98 VAL CB C 13 31.933 0.3 . 1 . . . . 114 V CB . 15935 1 1160 . 1 1 98 98 VAL CG1 C 13 23.022 0.3 . 2 . . . . 114 V CG1 . 15935 1 1161 . 1 1 98 98 VAL CG2 C 13 20.948 0.3 . 2 . . . . 114 V CG2 . 15935 1 1162 . 1 1 98 98 VAL N N 15 121.707 0.3 . 1 . . . . 114 V N . 15935 1 1163 . 1 1 99 99 GLY H H 1 8.685 0.02 . 1 . . . . 115 G HN . 15935 1 1164 . 1 1 99 99 GLY HA2 H 1 4.279 0.02 . 2 . . . . 115 G HA1 . 15935 1 1165 . 1 1 99 99 GLY HA3 H 1 3.816 0.02 . 2 . . . . 115 G HA2 . 15935 1 1166 . 1 1 99 99 GLY C C 13 172.414 0.3 . 1 . . . . 115 G C . 15935 1 1167 . 1 1 99 99 GLY CA C 13 43.805 0.3 . 1 . . . . 115 G CA . 15935 1 1168 . 1 1 99 99 GLY N N 15 117.490 0.3 . 1 . . . . 115 G N . 15935 1 1169 . 1 1 100 100 ARG H H 1 8.595 0.02 . 1 . . . . 116 R HN . 15935 1 1170 . 1 1 100 100 ARG HA H 1 3.894 0.02 . 1 . . . . 116 R HA . 15935 1 1171 . 1 1 100 100 ARG HD2 H 1 3.678 0.02 . 2 . . . . 116 R HD1 . 15935 1 1172 . 1 1 100 100 ARG HD3 H 1 3.678 0.02 . 2 . . . . 116 R HD2 . 15935 1 1173 . 1 1 100 100 ARG CA C 13 56.302 0.3 . 1 . . . . 116 R CA . 15935 1 1174 . 1 1 100 100 ARG CD C 13 43.800 0.3 . 1 . . . . 116 R CD . 15935 1 1175 . 1 1 100 100 ARG N N 15 123.684 0.3 . 1 . . . . 116 R N . 15935 1 1176 . 1 1 101 101 PRO HA H 1 4.210 0.02 . 1 . . . . 117 P HA . 15935 1 1177 . 1 1 101 101 PRO HB2 H 1 2.509 0.02 . 2 . . . . 117 P HB1 . 15935 1 1178 . 1 1 101 101 PRO HB3 H 1 1.921 0.02 . 2 . . . . 117 P HB2 . 15935 1 1179 . 1 1 101 101 PRO HD2 H 1 3.804 0.02 . 2 . . . . 117 P HD1 . 15935 1 1180 . 1 1 101 101 PRO HD3 H 1 3.187 0.02 . 2 . . . . 117 P HD2 . 15935 1 1181 . 1 1 101 101 PRO HG2 H 1 2.274 0.02 . 2 . . . . 117 P HG1 . 15935 1 1182 . 1 1 101 101 PRO HG3 H 1 2.274 0.02 . 2 . . . . 117 P HG2 . 15935 1 1183 . 1 1 101 101 PRO C C 13 178.664 0.3 . 1 . . . . 117 P C . 15935 1 1184 . 1 1 101 101 PRO CA C 13 65.629 0.3 . 1 . . . . 117 P CA . 15935 1 1185 . 1 1 101 101 PRO CB C 13 30.955 0.3 . 1 . . . . 117 P CB . 15935 1 1186 . 1 1 101 101 PRO CD C 13 49.618 0.3 . 1 . . . . 117 P CD . 15935 1 1187 . 1 1 101 101 PRO CG C 13 27.774 0.3 . 1 . . . . 117 P CG . 15935 1 1188 . 1 1 102 102 GLU H H 1 10.677 0.02 . 1 . . . . 118 E HN . 15935 1 1189 . 1 1 102 102 GLU HA H 1 4.175 0.02 . 1 . . . . 118 E HA . 15935 1 1190 . 1 1 102 102 GLU HB2 H 1 1.925 0.02 . 2 . . . . 118 E HB1 . 15935 1 1191 . 1 1 102 102 GLU HB3 H 1 1.817 0.02 . 2 . . . . 118 E HB2 . 15935 1 1192 . 1 1 102 102 GLU C C 13 176.382 0.3 . 1 . . . . 118 E C . 15935 1 1193 . 1 1 102 102 GLU CA C 13 57.822 0.3 . 1 . . . . 118 E CA . 15935 1 1194 . 1 1 102 102 GLU CB C 13 27.183 0.3 . 1 . . . . 118 E CB . 15935 1 1195 . 1 1 102 102 GLU N N 15 118.432 0.3 . 1 . . . . 118 E N . 15935 1 1196 . 1 1 103 103 MET H H 1 7.369 0.02 . 1 . . . . 119 M HN . 15935 1 1197 . 1 1 103 103 MET HA H 1 4.610 0.02 . 1 . . . . 119 M HA . 15935 1 1198 . 1 1 103 103 MET HB2 H 1 2.228 0.02 . 2 . . . . 119 M HB1 . 15935 1 1199 . 1 1 103 103 MET HB3 H 1 2.165 0.02 . 2 . . . . 119 M HB2 . 15935 1 1200 . 1 1 103 103 MET C C 13 179.678 0.3 . 1 . . . . 119 M C . 15935 1 1201 . 1 1 103 103 MET CA C 13 54.663 0.3 . 1 . . . . 119 M CA . 15935 1 1202 . 1 1 103 103 MET CB C 13 31.366 0.3 . 1 . . . . 119 M CB . 15935 1 1203 . 1 1 103 103 MET N N 15 119.598 0.3 . 1 . . . . 119 M N . 15935 1 1204 . 1 1 104 104 ARG H H 1 7.771 0.02 . 1 . . . . 120 R HN . 15935 1 1205 . 1 1 104 104 ARG HA H 1 3.996 0.02 . 1 . . . . 120 R HA . 15935 1 1206 . 1 1 104 104 ARG HB2 H 1 1.908 0.02 . 2 . . . . 120 R HB1 . 15935 1 1207 . 1 1 104 104 ARG HB3 H 1 1.757 0.02 . 2 . . . . 120 R HB2 . 15935 1 1208 . 1 1 104 104 ARG HD2 H 1 2.975 0.02 . 2 . . . . 120 R HD1 . 15935 1 1209 . 1 1 104 104 ARG HD3 H 1 2.696 0.02 . 2 . . . . 120 R HD2 . 15935 1 1210 . 1 1 104 104 ARG HG2 H 1 1.575 0.02 . 2 . . . . 120 R HG1 . 15935 1 1211 . 1 1 104 104 ARG HG3 H 1 1.187 0.02 . 2 . . . . 120 R HG2 . 15935 1 1212 . 1 1 104 104 ARG C C 13 176.937 0.3 . 1 . . . . 120 R C . 15935 1 1213 . 1 1 104 104 ARG CA C 13 60.424 0.3 . 1 . . . . 120 R CA . 15935 1 1214 . 1 1 104 104 ARG CB C 13 31.038 0.3 . 1 . . . . 120 R CB . 15935 1 1215 . 1 1 104 104 ARG N N 15 122.410 0.3 . 1 . . . . 120 R N . 15935 1 1216 . 1 1 105 105 LEU H H 1 6.782 0.02 . 1 . . . . 121 L HN . 15935 1 1217 . 1 1 105 105 LEU HA H 1 4.065 0.02 . 1 . . . . 121 L HA . 15935 1 1218 . 1 1 105 105 LEU HB2 H 1 1.687 0.02 . 2 . . . . 121 L HB1 . 15935 1 1219 . 1 1 105 105 LEU HB3 H 1 1.687 0.02 . 2 . . . . 121 L HB2 . 15935 1 1220 . 1 1 105 105 LEU HD11 H 1 0.948 0.02 . 2 . . . . 121 L HD11 . 15935 1 1221 . 1 1 105 105 LEU HD12 H 1 0.948 0.02 . 2 . . . . 121 L HD11 . 15935 1 1222 . 1 1 105 105 LEU HD13 H 1 0.948 0.02 . 2 . . . . 121 L HD11 . 15935 1 1223 . 1 1 105 105 LEU HD21 H 1 0.901 0.02 . 2 . . . . 121 L HD21 . 15935 1 1224 . 1 1 105 105 LEU HD22 H 1 0.901 0.02 . 2 . . . . 121 L HD21 . 15935 1 1225 . 1 1 105 105 LEU HD23 H 1 0.901 0.02 . 2 . . . . 121 L HD21 . 15935 1 1226 . 1 1 105 105 LEU HG H 1 1.412 0.02 . 1 . . . . 121 L HG . 15935 1 1227 . 1 1 105 105 LEU C C 13 176.153 0.3 . 1 . . . . 121 L C . 15935 1 1228 . 1 1 105 105 LEU CA C 13 56.604 0.3 . 1 . . . . 121 L CA . 15935 1 1229 . 1 1 105 105 LEU CB C 13 42.910 0.3 . 1 . . . . 121 L CB . 15935 1 1230 . 1 1 105 105 LEU CD1 C 13 25.984 0.3 . 2 . . . . 121 L CD1 . 15935 1 1231 . 1 1 105 105 LEU CD2 C 13 23.619 0.3 . 2 . . . . 121 L CD2 . 15935 1 1232 . 1 1 105 105 LEU N N 15 114.905 0.3 . 1 . . . . 121 L N . 15935 1 1233 . 1 1 106 106 LYS H H 1 7.382 0.02 . 1 . . . . 122 K HN . 15935 1 1234 . 1 1 106 106 LYS CA C 13 57.461 0.3 . 1 . . . . 122 K CA . 15935 1 1235 . 1 1 106 106 LYS CB C 13 27.182 0.3 . 1 . . . . 122 K CB . 15935 1 1236 . 1 1 106 106 LYS N N 15 116.958 0.3 . 1 . . . . 122 K N . 15935 1 1237 . 1 1 110 110 ARG HA H 1 4.323 0.02 . 1 . . . . 126 R HA . 15935 1 1238 . 1 1 110 110 ARG HB2 H 1 1.832 0.02 . 2 . . . . 126 R HB1 . 15935 1 1239 . 1 1 110 110 ARG HB3 H 1 1.692 0.02 . 2 . . . . 126 R HB2 . 15935 1 1240 . 1 1 110 110 ARG HD2 H 1 3.333 0.02 . 2 . . . . 126 R HD1 . 15935 1 1241 . 1 1 110 110 ARG HD3 H 1 3.333 0.02 . 2 . . . . 126 R HD2 . 15935 1 1242 . 1 1 110 110 ARG HG2 H 1 1.531 0.02 . 2 . . . . 126 R HG1 . 15935 1 1243 . 1 1 110 110 ARG HG3 H 1 1.531 0.02 . 2 . . . . 126 R HG2 . 15935 1 1244 . 1 1 110 110 ARG C C 13 174.607 0.3 . 1 . . . . 126 R C . 15935 1 1245 . 1 1 110 110 ARG CA C 13 55.708 0.3 . 1 . . . . 126 R CA . 15935 1 1246 . 1 1 110 110 ARG CB C 13 31.336 0.3 . 1 . . . . 126 R CB . 15935 1 1247 . 1 1 110 110 ARG CD C 13 43.506 0.3 . 1 . . . . 126 R CD . 15935 1 1248 . 1 1 110 110 ARG CG C 13 26.882 0.3 . 1 . . . . 126 R CG . 15935 1 1249 . 1 1 111 111 LYS H H 1 7.698 0.02 . 1 . . . . 127 K HN . 15935 1 1250 . 1 1 111 111 LYS CA C 13 58.244 0.3 . 1 . . . . 127 K CA . 15935 1 1251 . 1 1 111 111 LYS CB C 13 33.648 0.3 . 1 . . . . 127 K CB . 15935 1 1252 . 1 1 111 111 LYS N N 15 127.683 0.3 . 1 . . . . 127 K N . 15935 1 1253 . 2 2 16 16 ARG HA H 1 3.839 0.02 . 1 . . . . 317 R HA . 15935 1 1254 . 2 2 16 16 ARG HB2 H 1 1.571 0.02 . 2 . . . . 317 R HB1 . 15935 1 1255 . 2 2 16 16 ARG HB3 H 1 1.571 0.02 . 2 . . . . 317 R HB2 . 15935 1 1256 . 2 2 16 16 ARG HD2 H 1 3.255 0.02 . 2 . . . . 317 R HD1 . 15935 1 1257 . 2 2 16 16 ARG HD3 H 1 3.206 0.02 . 2 . . . . 317 R HD2 . 15935 1 1258 . 2 2 16 16 ARG HG2 H 1 1.419 0.02 . 2 . . . . 317 R HG1 . 15935 1 1259 . 2 2 16 16 ARG HG3 H 1 1.419 0.02 . 2 . . . . 317 R HG2 . 15935 1 1260 . 2 2 16 16 ARG C C 13 177.274 0.3 . 1 . . . . 317 R C . 15935 1 1261 . 2 2 16 16 ARG CA C 13 61.449 0.3 . 1 . . . . 317 R CA . 15935 1 1262 . 2 2 16 16 ARG CB C 13 30.820 0.3 . 1 . . . . 317 R CB . 15935 1 1263 . 2 2 16 16 ARG CD C 13 43.325 0.3 . 1 . . . . 317 R CD . 15935 1 1264 . 2 2 16 16 ARG CG C 13 27.072 0.3 . 1 . . . . 317 R CG . 15935 1 1265 . 2 2 17 17 ILE H H 1 7.889 0.02 . 1 . . . . 318 I HN . 15935 1 1266 . 2 2 17 17 ILE HA H 1 3.492 0.02 . 1 . . . . 318 I HA . 15935 1 1267 . 2 2 17 17 ILE HB H 1 1.937 0.02 . 1 . . . . 318 I HB . 15935 1 1268 . 2 2 17 17 ILE HD11 H 1 0.763 0.02 . 1 . . . . 318 I HD11 . 15935 1 1269 . 2 2 17 17 ILE HD12 H 1 0.763 0.02 . 1 . . . . 318 I HD11 . 15935 1 1270 . 2 2 17 17 ILE HD13 H 1 0.763 0.02 . 1 . . . . 318 I HD11 . 15935 1 1271 . 2 2 17 17 ILE HG12 H 1 1.114 0.02 . 2 . . . . 318 I HG11 . 15935 1 1272 . 2 2 17 17 ILE HG13 H 1 1.095 0.02 . 2 . . . . 318 I HG12 . 15935 1 1273 . 2 2 17 17 ILE HG21 H 1 1.108 0.02 . 1 . . . . 318 I HG21 . 15935 1 1274 . 2 2 17 17 ILE HG22 H 1 1.108 0.02 . 1 . . . . 318 I HG21 . 15935 1 1275 . 2 2 17 17 ILE HG23 H 1 1.108 0.02 . 1 . . . . 318 I HG21 . 15935 1 1276 . 2 2 17 17 ILE C C 13 176.784 0.3 . 1 . . . . 318 I C . 15935 1 1277 . 2 2 17 17 ILE CA C 13 66.121 0.3 . 1 . . . . 318 I CA . 15935 1 1278 . 2 2 17 17 ILE CB C 13 38.619 0.3 . 1 . . . . 318 I CB . 15935 1 1279 . 2 2 17 17 ILE CD1 C 13 14.594 0.3 . 1 . . . . 318 I CD1 . 15935 1 1280 . 2 2 17 17 ILE CG1 C 13 29.539 0.3 . 1 . . . . 318 I CG1 . 15935 1 1281 . 2 2 17 17 ILE CG2 C 13 18.322 0.3 . 1 . . . . 318 I CG2 . 15935 1 1282 . 2 2 17 17 ILE N N 15 116.228 0.3 . 1 . . . . 318 I N . 15935 1 1283 . 2 2 18 18 ASP H H 1 7.535 0.02 . 1 . . . . 319 D HN . 15935 1 1284 . 2 2 18 18 ASP HA H 1 4.568 0.02 . 1 . . . . 319 D HA . 15935 1 1285 . 2 2 18 18 ASP HB2 H 1 2.901 0.02 . 2 . . . . 319 D HB1 . 15935 1 1286 . 2 2 18 18 ASP HB3 H 1 2.822 0.02 . 2 . . . . 319 D HB2 . 15935 1 1287 . 2 2 18 18 ASP C C 13 179.390 0.3 . 1 . . . . 319 D C . 15935 1 1288 . 2 2 18 18 ASP CA C 13 58.007 0.3 . 1 . . . . 319 D CA . 15935 1 1289 . 2 2 18 18 ASP CB C 13 42.658 0.3 . 1 . . . . 319 D CB . 15935 1 1290 . 2 2 18 18 ASP N N 15 118.302 0.3 . 1 . . . . 319 D N . 15935 1 1291 . 2 2 19 19 ILE H H 1 8.730 0.02 . 1 . . . . 320 I HN . 15935 1 1292 . 2 2 19 19 ILE HA H 1 3.488 0.02 . 1 . . . . 320 I HA . 15935 1 1293 . 2 2 19 19 ILE HB H 1 1.697 0.02 . 1 . . . . 320 I HB . 15935 1 1294 . 2 2 19 19 ILE HD11 H 1 0.866 0.02 . 1 . . . . 320 I HD11 . 15935 1 1295 . 2 2 19 19 ILE HD12 H 1 0.866 0.02 . 1 . . . . 320 I HD11 . 15935 1 1296 . 2 2 19 19 ILE HD13 H 1 0.866 0.02 . 1 . . . . 320 I HD11 . 15935 1 1297 . 2 2 19 19 ILE HG12 H 1 1.370 0.02 . 2 . . . . 320 I HG11 . 15935 1 1298 . 2 2 19 19 ILE HG13 H 1 1.078 0.02 . 2 . . . . 320 I HG12 . 15935 1 1299 . 2 2 19 19 ILE HG21 H 1 0.571 0.02 . 1 . . . . 320 I HG21 . 15935 1 1300 . 2 2 19 19 ILE HG22 H 1 0.571 0.02 . 1 . . . . 320 I HG21 . 15935 1 1301 . 2 2 19 19 ILE HG23 H 1 0.571 0.02 . 1 . . . . 320 I HG21 . 15935 1 1302 . 2 2 19 19 ILE C C 13 177.222 0.3 . 1 . . . . 320 I C . 15935 1 1303 . 2 2 19 19 ILE CA C 13 65.826 0.3 . 1 . . . . 320 I CA . 15935 1 1304 . 2 2 19 19 ILE CB C 13 39.259 0.3 . 1 . . . . 320 I CB . 15935 1 1305 . 2 2 19 19 ILE CD1 C 13 12.706 0.3 . 1 . . . . 320 I CD1 . 15935 1 1306 . 2 2 19 19 ILE CG1 C 13 30.771 0.3 . 1 . . . . 320 I CG1 . 15935 1 1307 . 2 2 19 19 ILE CG2 C 13 16.761 0.3 . 1 . . . . 320 I CG2 . 15935 1 1308 . 2 2 19 19 ILE N N 15 123.009 0.3 . 1 . . . . 320 I N . 15935 1 1309 . 2 2 20 20 LEU H H 1 8.293 0.02 . 1 . . . . 321 L HN . 15935 1 1310 . 2 2 20 20 LEU HA H 1 3.599 0.02 . 1 . . . . 321 L HA . 15935 1 1311 . 2 2 20 20 LEU HB2 H 1 1.608 0.02 . 2 . . . . 321 L HB1 . 15935 1 1312 . 2 2 20 20 LEU HB3 H 1 1.699 0.02 . 2 . . . . 321 L HB2 . 15935 1 1313 . 2 2 20 20 LEU HD11 H 1 0.726 0.02 . 2 . . . . 321 L HD11 . 15935 1 1314 . 2 2 20 20 LEU HD12 H 1 0.726 0.02 . 2 . . . . 321 L HD11 . 15935 1 1315 . 2 2 20 20 LEU HD13 H 1 0.726 0.02 . 2 . . . . 321 L HD11 . 15935 1 1316 . 2 2 20 20 LEU HD21 H 1 0.639 0.02 . 2 . . . . 321 L HD21 . 15935 1 1317 . 2 2 20 20 LEU HD22 H 1 0.639 0.02 . 2 . . . . 321 L HD21 . 15935 1 1318 . 2 2 20 20 LEU HD23 H 1 0.639 0.02 . 2 . . . . 321 L HD21 . 15935 1 1319 . 2 2 20 20 LEU HG H 1 1.143 0.02 . 1 . . . . 321 L HG . 15935 1 1320 . 2 2 20 20 LEU C C 13 179.450 0.3 . 1 . . . . 321 L C . 15935 1 1321 . 2 2 20 20 LEU CA C 13 58.636 0.3 . 1 . . . . 321 L CA . 15935 1 1322 . 2 2 20 20 LEU CB C 13 42.080 0.3 . 1 . . . . 321 L CB . 15935 1 1323 . 2 2 20 20 LEU CD1 C 13 24.569 0.3 . 2 . . . . 321 L CD1 . 15935 1 1324 . 2 2 20 20 LEU CD2 C 13 21.449 0.3 . 2 . . . . 321 L CD2 . 15935 1 1325 . 2 2 20 20 LEU CG C 13 27.691 0.3 . 1 . . . . 321 L CG . 15935 1 1326 . 2 2 20 20 LEU N N 15 121.033 0.3 . 1 . . . . 321 L N . 15935 1 1327 . 2 2 21 21 PHE H H 1 7.747 0.02 . 1 . . . . 322 F HN . 15935 1 1328 . 2 2 21 21 PHE HA H 1 3.508 0.02 . 1 . . . . 322 F HA . 15935 1 1329 . 2 2 21 21 PHE HB2 H 1 1.247 0.02 . 2 . . . . 322 F HB1 . 15935 1 1330 . 2 2 21 21 PHE HB3 H 1 0.418 0.02 . 2 . . . . 322 F HB2 . 15935 1 1331 . 2 2 21 21 PHE C C 13 177.386 0.3 . 1 . . . . 322 F C . 15935 1 1332 . 2 2 21 21 PHE CA C 13 62.853 0.3 . 1 . . . . 322 F CA . 15935 1 1333 . 2 2 21 21 PHE CB C 13 35.823 0.3 . 1 . . . . 322 F CB . 15935 1 1334 . 2 2 21 21 PHE N N 15 116.230 0.3 . 1 . . . . 322 F N . 15935 1 1335 . 2 2 22 22 SER H H 1 7.802 0.02 . 1 . . . . 323 S HN . 15935 1 1336 . 2 2 22 22 SER HA H 1 4.294 0.02 . 1 . . . . 323 S HA . 15935 1 1337 . 2 2 22 22 SER HB2 H 1 3.942 0.02 . 2 . . . . 323 S HB1 . 15935 1 1338 . 2 2 22 22 SER C C 13 177.874 0.3 . 1 . . . . 323 S C . 15935 1 1339 . 2 2 22 22 SER CA C 13 62.693 0.3 . 1 . . . . 323 S CA . 15935 1 1340 . 2 2 22 22 SER CB C 13 62.699 0.3 . 1 . . . . 323 S CB . 15935 1 1341 . 2 2 22 22 SER N N 15 114.691 0.3 . 1 . . . . 323 S N . 15935 1 1342 . 2 2 23 23 LEU H H 1 8.595 0.02 . 1 . . . . 324 L HN . 15935 1 1343 . 2 2 23 23 LEU HA H 1 3.806 0.02 . 1 . . . . 324 L HA . 15935 1 1344 . 2 2 23 23 LEU HB2 H 1 1.668 0.02 . 2 . . . . 324 L HB1 . 15935 1 1345 . 2 2 23 23 LEU HB3 H 1 1.600 0.02 . 2 . . . . 324 L HB2 . 15935 1 1346 . 2 2 23 23 LEU HD11 H 1 0.478 0.02 . 2 . . . . 324 L HD11 . 15935 1 1347 . 2 2 23 23 LEU HD12 H 1 0.478 0.02 . 2 . . . . 324 L HD11 . 15935 1 1348 . 2 2 23 23 LEU HD13 H 1 0.478 0.02 . 2 . . . . 324 L HD11 . 15935 1 1349 . 2 2 23 23 LEU HD21 H 1 0.623 0.02 . 2 . . . . 324 L HD21 . 15935 1 1350 . 2 2 23 23 LEU HD22 H 1 0.623 0.02 . 2 . . . . 324 L HD21 . 15935 1 1351 . 2 2 23 23 LEU HD23 H 1 0.623 0.02 . 2 . . . . 324 L HD21 . 15935 1 1352 . 2 2 23 23 LEU HG H 1 1.124 0.02 . 1 . . . . 324 L HG . 15935 1 1353 . 2 2 23 23 LEU C C 13 178.452 0.3 . 1 . . . . 324 L C . 15935 1 1354 . 2 2 23 23 LEU CA C 13 57.691 0.3 . 1 . . . . 324 L CA . 15935 1 1355 . 2 2 23 23 LEU CB C 13 42.245 0.3 . 1 . . . . 324 L CB . 15935 1 1356 . 2 2 23 23 LEU CD1 C 13 26.445 0.3 . 2 . . . . 324 L CD1 . 15935 1 1357 . 2 2 23 23 LEU CD2 C 13 24.260 0.3 . 2 . . . . 324 L CD2 . 15935 1 1358 . 2 2 23 23 LEU CG C 13 28.483 0.3 . 1 . . . . 324 L CG . 15935 1 1359 . 2 2 23 23 LEU N N 15 124.101 0.3 . 1 . . . . 324 L N . 15935 1 1360 . 2 2 24 24 ALA H H 1 8.297 0.02 . 1 . . . . 325 A HN . 15935 1 1361 . 2 2 24 24 ALA HA H 1 3.868 0.02 . 1 . . . . 325 A HA . 15935 1 1362 . 2 2 24 24 ALA HB1 H 1 1.173 0.02 . 1 . . . . 325 A HB1 . 15935 1 1363 . 2 2 24 24 ALA HB2 H 1 1.173 0.02 . 1 . . . . 325 A HB1 . 15935 1 1364 . 2 2 24 24 ALA HB3 H 1 1.173 0.02 . 1 . . . . 325 A HB1 . 15935 1 1365 . 2 2 24 24 ALA C C 13 177.756 0.3 . 1 . . . . 325 A C . 15935 1 1366 . 2 2 24 24 ALA CA C 13 55.516 0.3 . 1 . . . . 325 A CA . 15935 1 1367 . 2 2 24 24 ALA CB C 13 18.011 0.3 . 1 . . . . 325 A CB . 15935 1 1368 . 2 2 24 24 ALA N N 15 124.532 0.3 . 1 . . . . 325 A N . 15935 1 1369 . 2 2 25 25 GLU H H 1 7.562 0.02 . 1 . . . . 326 E HN . 15935 1 1370 . 2 2 25 25 GLU HA H 1 3.539 0.02 . 1 . . . . 326 E HA . 15935 1 1371 . 2 2 25 25 GLU HB2 H 1 2.406 0.02 . 2 . . . . 326 E HB1 . 15935 1 1372 . 2 2 25 25 GLU HB3 H 1 2.294 0.02 . 2 . . . . 326 E HB2 . 15935 1 1373 . 2 2 25 25 GLU HG2 H 1 2.457 0.02 . 2 . . . . 326 E HG1 . 15935 1 1374 . 2 2 25 25 GLU HG3 H 1 2.341 0.02 . 2 . . . . 326 E HG2 . 15935 1 1375 . 2 2 25 25 GLU C C 13 178.910 0.3 . 1 . . . . 326 E C . 15935 1 1376 . 2 2 25 25 GLU CA C 13 58.960 0.3 . 1 . . . . 326 E CA . 15935 1 1377 . 2 2 25 25 GLU CB C 13 30.194 0.3 . 1 . . . . 326 E CB . 15935 1 1378 . 2 2 25 25 GLU CG C 13 36.760 0.3 . 1 . . . . 326 E CG . 15935 1 1379 . 2 2 25 25 GLU N N 15 116.223 0.3 . 1 . . . . 326 E N . 15935 1 1380 . 2 2 26 26 ARG H H 1 7.470 0.02 . 1 . . . . 327 R HN . 15935 1 1381 . 2 2 26 26 ARG HA H 1 4.139 0.02 . 1 . . . . 327 R HA . 15935 1 1382 . 2 2 26 26 ARG HB2 H 1 1.790 0.02 . 2 . . . . 327 R HB1 . 15935 1 1383 . 2 2 26 26 ARG HB3 H 1 1.790 0.02 . 2 . . . . 327 R HB2 . 15935 1 1384 . 2 2 26 26 ARG HD2 H 1 3.220 0.02 . 2 . . . . 327 R HD1 . 15935 1 1385 . 2 2 26 26 ARG HD3 H 1 3.046 0.02 . 2 . . . . 327 R HD2 . 15935 1 1386 . 2 2 26 26 ARG HG2 H 1 1.660 0.02 . 2 . . . . 327 R HG1 . 15935 1 1387 . 2 2 26 26 ARG HG3 H 1 1.660 0.02 . 2 . . . . 327 R HG2 . 15935 1 1388 . 2 2 26 26 ARG C C 13 178.038 0.3 . 1 . . . . 327 R C . 15935 1 1389 . 2 2 26 26 ARG CA C 13 58.016 0.3 . 1 . . . . 327 R CA . 15935 1 1390 . 2 2 26 26 ARG CB C 13 30.826 0.3 . 1 . . . . 327 R CB . 15935 1 1391 . 2 2 26 26 ARG CD C 13 43.324 0.3 . 1 . . . . 327 R CD . 15935 1 1392 . 2 2 26 26 ARG CG C 13 28.043 0.3 . 1 . . . . 327 R CG . 15935 1 1393 . 2 2 26 26 ARG N N 15 116.235 0.3 . 1 . . . . 327 R N . 15935 1 1394 . 2 2 27 27 VAL H H 1 8.445 0.02 . 1 . . . . 328 V HN . 15935 1 1395 . 2 2 27 27 VAL HA H 1 4.256 0.02 . 1 . . . . 328 V HA . 15935 1 1396 . 2 2 27 27 VAL HB H 1 2.199 0.02 . 1 . . . . 328 V HB . 15935 1 1397 . 2 2 27 27 VAL HG11 H 1 1.098 0.02 . 2 . . . . 328 V HG11 . 15935 1 1398 . 2 2 27 27 VAL HG12 H 1 1.098 0.02 . 2 . . . . 328 V HG11 . 15935 1 1399 . 2 2 27 27 VAL HG13 H 1 1.098 0.02 . 2 . . . . 328 V HG11 . 15935 1 1400 . 2 2 27 27 VAL HG21 H 1 1.149 0.02 . 2 . . . . 328 V HG21 . 15935 1 1401 . 2 2 27 27 VAL HG22 H 1 1.149 0.02 . 2 . . . . 328 V HG21 . 15935 1 1402 . 2 2 27 27 VAL HG23 H 1 1.149 0.02 . 2 . . . . 328 V HG21 . 15935 1 1403 . 2 2 27 27 VAL C C 13 176.972 0.3 . 1 . . . . 328 V C . 15935 1 1404 . 2 2 27 27 VAL CA C 13 62.699 0.3 . 1 . . . . 328 V CA . 15935 1 1405 . 2 2 27 27 VAL CB C 13 33.012 0.3 . 1 . . . . 328 V CB . 15935 1 1406 . 2 2 27 27 VAL CG1 C 13 21.763 0.3 . 2 . . . . 328 V CG1 . 15935 1 1407 . 2 2 27 27 VAL CG2 C 13 22.701 0.3 . 2 . . . . 328 V CG2 . 15935 1 1408 . 2 2 27 27 VAL N N 15 111.844 0.3 . 1 . . . . 328 V N . 15935 1 1409 . 2 2 28 28 PHE H H 1 8.096 0.02 . 1 . . . . 329 F HN . 15935 1 1410 . 2 2 28 28 PHE HA H 1 3.870 0.02 . 1 . . . . 329 F HA . 15935 1 1411 . 2 2 28 28 PHE HB2 H 1 3.333 0.02 . 2 . . . . 329 F HB1 . 15935 1 1412 . 2 2 28 28 PHE HB3 H 1 3.044 0.02 . 2 . . . . 329 F HB2 . 15935 1 1413 . 2 2 28 28 PHE HD1 H 1 7.004 0.02 . 3 . . . . 329 F HD1 . 15935 1 1414 . 2 2 28 28 PHE HD2 H 1 7.004 0.02 . 3 . . . . 329 F HD2 . 15935 1 1415 . 2 2 28 28 PHE HE1 H 1 7.212 0.02 . 3 . . . . 329 F HE1 . 15935 1 1416 . 2 2 28 28 PHE HE2 H 1 7.212 0.02 . 3 . . . . 329 F HE2 . 15935 1 1417 . 2 2 28 28 PHE HZ H 1 7.255 0.02 . 1 . . . . 329 F HZ . 15935 1 1418 . 2 2 28 28 PHE CA C 13 63.945 0.3 . 1 . . . . 329 F CA . 15935 1 1419 . 2 2 28 28 PHE CB C 13 37.072 0.3 . 1 . . . . 329 F CB . 15935 1 1420 . 2 2 28 28 PHE CD1 C 13 131.056 0.3 . 3 . . . . 329 F CD1 . 15935 1 1421 . 2 2 28 28 PHE CD2 C 13 131.056 0.3 . 3 . . . . 329 F CD2 . 15935 1 1422 . 2 2 28 28 PHE CE1 C 13 131.915 0.3 . 3 . . . . 329 F CE1 . 15935 1 1423 . 2 2 28 28 PHE CE2 C 13 131.915 0.3 . 3 . . . . 329 F CE2 . 15935 1 1424 . 2 2 28 28 PHE CZ C 13 129.767 0.3 . 1 . . . . 329 F CZ . 15935 1 1425 . 2 2 28 28 PHE N N 15 125.190 0.3 . 1 . . . . 329 F N . 15935 1 1426 . 2 2 29 29 PRO HA H 1 3.971 0.02 . 1 . . . . 330 P HA . 15935 1 1427 . 2 2 29 29 PRO HB2 H 1 2.081 0.02 . 2 . . . . 330 P HB1 . 15935 1 1428 . 2 2 29 29 PRO HB3 H 1 2.080 0.02 . 2 . . . . 330 P HB2 . 15935 1 1429 . 2 2 29 29 PRO HD2 H 1 3.431 0.02 . 2 . . . . 330 P HD1 . 15935 1 1430 . 2 2 29 29 PRO HD3 H 1 3.431 0.02 . 2 . . . . 330 P HD2 . 15935 1 1431 . 2 2 29 29 PRO HG2 H 1 1.797 0.02 . 2 . . . . 330 P HG1 . 15935 1 1432 . 2 2 29 29 PRO HG3 H 1 1.797 0.02 . 2 . . . . 330 P HG2 . 15935 1 1433 . 2 2 29 29 PRO C C 13 175.957 0.3 . 1 . . . . 330 P C . 15935 1 1434 . 2 2 29 29 PRO CA C 13 64.898 0.3 . 1 . . . . 330 P CA . 15935 1 1435 . 2 2 29 29 PRO CB C 13 30.506 0.3 . 1 . . . . 330 P CB . 15935 1 1436 . 2 2 29 29 PRO CD C 13 50.187 0.3 . 1 . . . . 330 P CD . 15935 1 1437 . 2 2 29 29 PRO CG C 13 28.307 0.3 . 1 . . . . 330 P CG . 15935 1 1438 . 2 2 30 30 TYR H H 1 7.510 0.02 . 1 . . . . 331 Y HN . 15935 1 1439 . 2 2 30 30 TYR HA H 1 4.488 0.02 . 1 . . . . 331 Y HA . 15935 1 1440 . 2 2 30 30 TYR HB2 H 1 3.081 0.02 . 2 . . . . 331 Y HB1 . 15935 1 1441 . 2 2 30 30 TYR HB3 H 1 2.488 0.02 . 2 . . . . 331 Y HB2 . 15935 1 1442 . 2 2 30 30 TYR HD1 H 1 7.046 0.02 . 3 . . . . 331 Y HD1 . 15935 1 1443 . 2 2 30 30 TYR HD2 H 1 7.046 0.02 . 3 . . . . 331 Y HD2 . 15935 1 1444 . 2 2 30 30 TYR HE1 H 1 6.949 0.02 . 3 . . . . 331 Y HE1 . 15935 1 1445 . 2 2 30 30 TYR HE2 H 1 6.949 0.02 . 3 . . . . 331 Y HE2 . 15935 1 1446 . 2 2 30 30 TYR C C 13 175.939 0.3 . 1 . . . . 331 Y C . 15935 1 1447 . 2 2 30 30 TYR CA C 13 58.013 0.3 . 1 . . . . 331 Y CA . 15935 1 1448 . 2 2 30 30 TYR CB C 13 40.050 0.3 . 1 . . . . 331 Y CB . 15935 1 1449 . 2 2 30 30 TYR CD1 C 13 132.991 0.3 . 3 . . . . 331 Y CD1 . 15935 1 1450 . 2 2 30 30 TYR CD2 C 13 132.991 0.3 . 3 . . . . 331 Y CD2 . 15935 1 1451 . 2 2 30 30 TYR CE1 C 13 118.330 0.3 . 3 . . . . 331 Y CE1 . 15935 1 1452 . 2 2 30 30 TYR CE2 C 13 118.330 0.3 . 3 . . . . 331 Y CE2 . 15935 1 1453 . 2 2 30 30 TYR N N 15 114.048 0.3 . 1 . . . . 331 Y N . 15935 1 1454 . 2 2 31 31 SER H H 1 8.162 0.02 . 1 . . . . 332 S HN . 15935 1 1455 . 2 2 31 31 SER HA H 1 4.788 0.02 . 1 . . . . 332 S HA . 15935 1 1456 . 2 2 31 31 SER HB2 H 1 3.728 0.02 . 2 . . . . 332 S HB1 . 15935 1 1457 . 2 2 31 31 SER HB3 H 1 3.572 0.02 . 2 . . . . 332 S HB2 . 15935 1 1458 . 2 2 31 31 SER CA C 13 54.577 0.3 . 1 . . . . 332 S CA . 15935 1 1459 . 2 2 31 31 SER CB C 13 62.386 0.3 . 1 . . . . 332 S CB . 15935 1 1460 . 2 2 31 31 SER N N 15 109.654 0.3 . 1 . . . . 332 S N . 15935 1 1461 . 2 2 32 32 PRO HA H 1 4.210 0.02 . 1 . . . . 333 P HA . 15935 1 1462 . 2 2 32 32 PRO HB2 H 1 2.275 0.02 . 2 . . . . 333 P HB1 . 15935 1 1463 . 2 2 32 32 PRO HB3 H 1 2.275 0.02 . 2 . . . . 333 P HB2 . 15935 1 1464 . 2 2 32 32 PRO HG2 H 1 1.952 0.02 . 2 . . . . 333 P HG1 . 15935 1 1465 . 2 2 32 32 PRO HG3 H 1 1.952 0.02 . 2 . . . . 333 P HG2 . 15935 1 1466 . 2 2 32 32 PRO C C 13 179.113 0.3 . 1 . . . . 333 P C . 15935 1 1467 . 2 2 32 32 PRO CA C 13 65.198 0.3 . 1 . . . . 333 P CA . 15935 1 1468 . 2 2 32 32 PRO CB C 13 32.069 0.3 . 1 . . . . 333 P CB . 15935 1 1469 . 2 2 32 32 PRO CD C 13 49.778 0.3 . 1 . . . . 333 P CD . 15935 1 1470 . 2 2 32 32 PRO CG C 13 27.311 0.3 . 1 . . . . 333 P CG . 15935 1 1471 . 2 2 33 33 GLU H H 1 8.333 0.02 . 1 . . . . 334 E HN . 15935 1 1472 . 2 2 33 33 GLU HA H 1 4.047 0.02 . 1 . . . . 334 E HA . 15935 1 1473 . 2 2 33 33 GLU HB2 H 1 1.977 0.02 . 2 . . . . 334 E HB1 . 15935 1 1474 . 2 2 33 33 GLU HB3 H 1 1.862 0.02 . 2 . . . . 334 E HB2 . 15935 1 1475 . 2 2 33 33 GLU HG2 H 1 2.282 0.02 . 2 . . . . 334 E HG1 . 15935 1 1476 . 2 2 33 33 GLU HG3 H 1 2.160 0.02 . 2 . . . . 334 E HG2 . 15935 1 1477 . 2 2 33 33 GLU C C 13 179.160 0.3 . 1 . . . . 334 E C . 15935 1 1478 . 2 2 33 33 GLU CA C 13 59.570 0.3 . 1 . . . . 334 E CA . 15935 1 1479 . 2 2 33 33 GLU CB C 13 29.572 0.3 . 1 . . . . 334 E CB . 15935 1 1480 . 2 2 33 33 GLU CG C 13 36.138 0.3 . 1 . . . . 334 E CG . 15935 1 1481 . 2 2 33 33 GLU N N 15 117.537 0.3 . 1 . . . . 334 E N . 15935 1 1482 . 2 2 34 34 LEU H H 1 7.880 0.02 . 1 . . . . 335 L HN . 15935 1 1483 . 2 2 34 34 LEU HA H 1 3.938 0.02 . 1 . . . . 335 L HA . 15935 1 1484 . 2 2 34 34 LEU HB2 H 1 1.510 0.02 . 2 . . . . 335 L HB1 . 15935 1 1485 . 2 2 34 34 LEU HB3 H 1 1.510 0.02 . 2 . . . . 335 L HB2 . 15935 1 1486 . 2 2 34 34 LEU HD11 H 1 0.849 0.02 . 2 . . . . 335 L HD11 . 15935 1 1487 . 2 2 34 34 LEU HD12 H 1 0.849 0.02 . 2 . . . . 335 L HD11 . 15935 1 1488 . 2 2 34 34 LEU HD13 H 1 0.849 0.02 . 2 . . . . 335 L HD11 . 15935 1 1489 . 2 2 34 34 LEU HD21 H 1 0.971 0.02 . 2 . . . . 335 L HD21 . 15935 1 1490 . 2 2 34 34 LEU HD22 H 1 0.971 0.02 . 2 . . . . 335 L HD21 . 15935 1 1491 . 2 2 34 34 LEU HD23 H 1 0.971 0.02 . 2 . . . . 335 L HD21 . 15935 1 1492 . 2 2 34 34 LEU HG H 1 1.383 0.02 . 1 . . . . 335 L HG . 15935 1 1493 . 2 2 34 34 LEU C C 13 176.873 0.3 . 1 . . . . 335 L C . 15935 1 1494 . 2 2 34 34 LEU CA C 13 56.699 0.3 . 1 . . . . 335 L CA . 15935 1 1495 . 2 2 34 34 LEU CB C 13 41.134 0.3 . 1 . . . . 335 L CB . 15935 1 1496 . 2 2 34 34 LEU CD1 C 13 23.632 0.3 . 2 . . . . 335 L CD1 . 15935 1 1497 . 2 2 34 34 LEU CD2 C 13 24.566 0.3 . 2 . . . . 335 L CD2 . 15935 1 1498 . 2 2 34 34 LEU CG C 13 28.219 0.3 . 1 . . . . 335 L CG . 15935 1 1499 . 2 2 34 34 LEU N N 15 124.095 0.3 . 1 . . . . 335 L N . 15935 1 1500 . 2 2 35 35 ALA H H 1 7.606 0.02 . 1 . . . . 336 A HN . 15935 1 1501 . 2 2 35 35 ALA HA H 1 3.707 0.02 . 1 . . . . 336 A HA . 15935 1 1502 . 2 2 35 35 ALA HB1 H 1 1.673 0.02 . 1 . . . . 336 A HB1 . 15935 1 1503 . 2 2 35 35 ALA HB2 H 1 1.673 0.02 . 1 . . . . 336 A HB1 . 15935 1 1504 . 2 2 35 35 ALA HB3 H 1 1.673 0.02 . 1 . . . . 336 A HB1 . 15935 1 1505 . 2 2 35 35 ALA C C 13 178.364 0.3 . 1 . . . . 336 A C . 15935 1 1506 . 2 2 35 35 ALA CA C 13 55.512 0.3 . 1 . . . . 336 A CA . 15935 1 1507 . 2 2 35 35 ALA CB C 13 18.630 0.3 . 1 . . . . 336 A CB . 15935 1 1508 . 2 2 35 35 ALA N N 15 119.946 0.3 . 1 . . . . 336 A N . 15935 1 1509 . 2 2 36 36 LYS H H 1 7.815 0.02 . 1 . . . . 337 K HN . 15935 1 1510 . 2 2 36 36 LYS HA H 1 4.224 0.02 . 1 . . . . 337 K HA . 15935 1 1511 . 2 2 36 36 LYS HB2 H 1 2.138 0.02 . 2 . . . . 337 K HB1 . 15935 1 1512 . 2 2 36 36 LYS HB3 H 1 1.949 0.02 . 2 . . . . 337 K HB2 . 15935 1 1513 . 2 2 36 36 LYS HD2 H 1 1.805 0.02 . 2 . . . . 337 K HD1 . 15935 1 1514 . 2 2 36 36 LYS HD3 H 1 1.805 0.02 . 2 . . . . 337 K HD2 . 15935 1 1515 . 2 2 36 36 LYS HE2 H 1 3.112 0.02 . 2 . . . . 337 K HE1 . 15935 1 1516 . 2 2 36 36 LYS HE3 H 1 3.031 0.02 . 2 . . . . 337 K HE2 . 15935 1 1517 . 2 2 36 36 LYS HG2 H 1 1.410 0.02 . 2 . . . . 337 K HG1 . 15935 1 1518 . 2 2 36 36 LYS HG3 H 1 1.410 0.02 . 2 . . . . 337 K HG2 . 15935 1 1519 . 2 2 36 36 LYS C C 13 177.666 0.3 . 1 . . . . 337 K C . 15935 1 1520 . 2 2 36 36 LYS CA C 13 59.236 0.3 . 1 . . . . 337 K CA . 15935 1 1521 . 2 2 36 36 LYS CB C 13 32.117 0.3 . 1 . . . . 337 K CB . 15935 1 1522 . 2 2 36 36 LYS CD C 13 29.558 0.3 . 1 . . . . 337 K CD . 15935 1 1523 . 2 2 36 36 LYS CE C 13 42.035 0.3 . 1 . . . . 337 K CE . 15935 1 1524 . 2 2 36 36 LYS CG C 13 24.912 0.3 . 1 . . . . 337 K CG . 15935 1 1525 . 2 2 36 36 LYS N N 15 116.875 0.3 . 1 . . . . 337 K N . 15935 1 1526 . 2 2 37 37 ARG H H 1 7.453 0.02 . 1 . . . . 338 R HN . 15935 1 1527 . 2 2 37 37 ARG HA H 1 4.144 0.02 . 1 . . . . 338 R HA . 15935 1 1528 . 2 2 37 37 ARG HB2 H 1 2.219 0.02 . 2 . . . . 338 R HB1 . 15935 1 1529 . 2 2 37 37 ARG HB3 H 1 1.909 0.02 . 2 . . . . 338 R HB2 . 15935 1 1530 . 2 2 37 37 ARG HD2 H 1 3.584 0.02 . 2 . . . . 338 R HD1 . 15935 1 1531 . 2 2 37 37 ARG HD3 H 1 3.012 0.02 . 2 . . . . 338 R HD2 . 15935 1 1532 . 2 2 37 37 ARG HG2 H 1 1.435 0.02 . 2 . . . . 338 R HG1 . 15935 1 1533 . 2 2 37 37 ARG HG3 H 1 1.435 0.02 . 2 . . . . 338 R HG2 . 15935 1 1534 . 2 2 37 37 ARG C C 13 177.749 0.3 . 1 . . . . 338 R C . 15935 1 1535 . 2 2 37 37 ARG CA C 13 58.013 0.3 . 1 . . . . 338 R CA . 15935 1 1536 . 2 2 37 37 ARG CB C 13 28.947 0.3 . 1 . . . . 338 R CB . 15935 1 1537 . 2 2 37 37 ARG CD C 13 42.698 0.3 . 1 . . . . 338 R CD . 15935 1 1538 . 2 2 37 37 ARG CG C 13 25.253 0.3 . 1 . . . . 338 R CG . 15935 1 1539 . 2 2 37 37 ARG N N 15 121.267 0.3 . 1 . . . . 338 R N . 15935 1 1540 . 2 2 38 38 TYR H H 1 7.783 0.02 . 1 . . . . 339 Y HN . 15935 1 1541 . 2 2 38 38 TYR HA H 1 4.525 0.02 . 1 . . . . 339 Y HA . 15935 1 1542 . 2 2 38 38 TYR HB2 H 1 3.213 0.02 . 2 . . . . 339 Y HB1 . 15935 1 1543 . 2 2 38 38 TYR HB3 H 1 2.937 0.02 . 2 . . . . 339 Y HB2 . 15935 1 1544 . 2 2 38 38 TYR HD1 H 1 6.741 0.02 . 3 . . . . 339 Y HD1 . 15935 1 1545 . 2 2 38 38 TYR HD2 H 1 6.741 0.02 . 3 . . . . 339 Y HD2 . 15935 1 1546 . 2 2 38 38 TYR HE1 H 1 6.547 0.02 . 3 . . . . 339 Y HE1 . 15935 1 1547 . 2 2 38 38 TYR HE2 H 1 6.547 0.02 . 3 . . . . 339 Y HE2 . 15935 1 1548 . 2 2 38 38 TYR C C 13 178.082 0.3 . 1 . . . . 339 Y C . 15935 1 1549 . 2 2 38 38 TYR CA C 13 57.886 0.3 . 1 . . . . 339 Y CA . 15935 1 1550 . 2 2 38 38 TYR CB C 13 35.218 0.3 . 1 . . . . 339 Y CB . 15935 1 1551 . 2 2 38 38 TYR N N 15 119.951 0.3 . 1 . . . . 339 Y N . 15935 1 1552 . 2 2 39 39 VAL H H 1 7.973 0.02 . 1 . . . . 340 V HN . 15935 1 1553 . 2 2 39 39 VAL HA H 1 4.182 0.02 . 1 . . . . 340 V HA . 15935 1 1554 . 2 2 39 39 VAL HB H 1 2.531 0.02 . 1 . . . . 340 V HB . 15935 1 1555 . 2 2 39 39 VAL HG11 H 1 0.637 0.02 . 2 . . . . 340 V HG11 . 15935 1 1556 . 2 2 39 39 VAL HG12 H 1 0.637 0.02 . 2 . . . . 340 V HG11 . 15935 1 1557 . 2 2 39 39 VAL HG13 H 1 0.637 0.02 . 2 . . . . 340 V HG11 . 15935 1 1558 . 2 2 39 39 VAL HG21 H 1 0.969 0.02 . 2 . . . . 340 V HG21 . 15935 1 1559 . 2 2 39 39 VAL HG22 H 1 0.969 0.02 . 2 . . . . 340 V HG21 . 15935 1 1560 . 2 2 39 39 VAL HG23 H 1 0.969 0.02 . 2 . . . . 340 V HG21 . 15935 1 1561 . 2 2 39 39 VAL C C 13 177.591 0.3 . 1 . . . . 340 V C . 15935 1 1562 . 2 2 39 39 VAL CA C 13 67.103 0.3 . 1 . . . . 340 V CA . 15935 1 1563 . 2 2 39 39 VAL CB C 13 32.070 0.3 . 1 . . . . 340 V CB . 15935 1 1564 . 2 2 39 39 VAL CG1 C 13 21.759 0.3 . 2 . . . . 340 V CG1 . 15935 1 1565 . 2 2 39 39 VAL CG2 C 13 22.693 0.3 . 2 . . . . 340 V CG2 . 15935 1 1566 . 2 2 39 39 VAL N N 15 120.815 0.3 . 1 . . . . 340 V N . 15935 1 1567 . 2 2 40 40 GLU H H 1 8.782 0.02 . 1 . . . . 341 E HN . 15935 1 1568 . 2 2 40 40 GLU HA H 1 3.684 0.02 . 1 . . . . 341 E HA . 15935 1 1569 . 2 2 40 40 GLU HB2 H 1 2.302 0.02 . 2 . . . . 341 E HB1 . 15935 1 1570 . 2 2 40 40 GLU HB3 H 1 2.098 0.02 . 2 . . . . 341 E HB2 . 15935 1 1571 . 2 2 40 40 GLU HG2 H 1 2.282 0.02 . 2 . . . . 341 E HG1 . 15935 1 1572 . 2 2 40 40 GLU HG3 H 1 2.207 0.02 . 2 . . . . 341 E HG2 . 15935 1 1573 . 2 2 40 40 GLU C C 13 180.170 0.3 . 1 . . . . 341 E C . 15935 1 1574 . 2 2 40 40 GLU CA C 13 59.880 0.3 . 1 . . . . 341 E CA . 15935 1 1575 . 2 2 40 40 GLU CB C 13 29.126 0.3 . 1 . . . . 341 E CB . 15935 1 1576 . 2 2 40 40 GLU CG C 13 36.447 0.3 . 1 . . . . 341 E CG . 15935 1 1577 . 2 2 40 40 GLU N N 15 118.414 0.3 . 1 . . . . 341 E N . 15935 1 1578 . 2 2 41 41 LEU H H 1 8.485 0.02 . 1 . . . . 342 L HN . 15935 1 1579 . 2 2 41 41 LEU HA H 1 4.066 0.02 . 1 . . . . 342 L HA . 15935 1 1580 . 2 2 41 41 LEU HB2 H 1 1.989 0.02 . 2 . . . . 342 L HB1 . 15935 1 1581 . 2 2 41 41 LEU HB3 H 1 1.776 0.02 . 2 . . . . 342 L HB2 . 15935 1 1582 . 2 2 41 41 LEU HD11 H 1 0.971 0.02 . 2 . . . . 342 L HD11 . 15935 1 1583 . 2 2 41 41 LEU HD12 H 1 0.971 0.02 . 2 . . . . 342 L HD11 . 15935 1 1584 . 2 2 41 41 LEU HD13 H 1 0.971 0.02 . 2 . . . . 342 L HD11 . 15935 1 1585 . 2 2 41 41 LEU HD21 H 1 0.871 0.02 . 2 . . . . 342 L HD21 . 15935 1 1586 . 2 2 41 41 LEU HD22 H 1 0.871 0.02 . 2 . . . . 342 L HD21 . 15935 1 1587 . 2 2 41 41 LEU HD23 H 1 0.871 0.02 . 2 . . . . 342 L HD21 . 15935 1 1588 . 2 2 41 41 LEU HG H 1 1.585 0.02 . 1 . . . . 342 L HG . 15935 1 1589 . 2 2 41 41 LEU C C 13 178.077 0.3 . 1 . . . . 342 L C . 15935 1 1590 . 2 2 41 41 LEU CA C 13 57.747 0.3 . 1 . . . . 342 L CA . 15935 1 1591 . 2 2 41 41 LEU CB C 13 42.236 0.3 . 1 . . . . 342 L CB . 15935 1 1592 . 2 2 41 41 LEU CD1 C 13 23.953 0.3 . 2 . . . . 342 L CD1 . 15935 1 1593 . 2 2 41 41 LEU CD2 C 13 25.204 0.3 . 2 . . . . 342 L CD2 . 15935 1 1594 . 2 2 41 41 LEU CG C 13 27.163 0.3 . 1 . . . . 342 L CG . 15935 1 1595 . 2 2 41 41 LEU N N 15 119.941 0.3 . 1 . . . . 342 L N . 15935 1 1596 . 2 2 42 42 ALA H H 1 8.227 0.02 . 1 . . . . 343 A HN . 15935 1 1597 . 2 2 42 42 ALA HA H 1 3.661 0.02 . 1 . . . . 343 A HA . 15935 1 1598 . 2 2 42 42 ALA HB1 H 1 1.180 0.02 . 1 . . . . 343 A HB1 . 15935 1 1599 . 2 2 42 42 ALA HB2 H 1 1.180 0.02 . 1 . . . . 343 A HB1 . 15935 1 1600 . 2 2 42 42 ALA HB3 H 1 1.180 0.02 . 1 . . . . 343 A HB1 . 15935 1 1601 . 2 2 42 42 ALA C C 13 179.783 0.3 . 1 . . . . 343 A C . 15935 1 1602 . 2 2 42 42 ALA CA C 13 55.204 0.3 . 1 . . . . 343 A CA . 15935 1 1603 . 2 2 42 42 ALA CB C 13 18.011 0.3 . 1 . . . . 343 A CB . 15935 1 1604 . 2 2 42 42 ALA N N 15 124.760 0.3 . 1 . . . . 343 A N . 15935 1 1605 . 2 2 43 43 LEU H H 1 8.228 0.02 . 1 . . . . 344 L HN . 15935 1 1606 . 2 2 43 43 LEU HA H 1 4.098 0.02 . 1 . . . . 344 L HA . 15935 1 1607 . 2 2 43 43 LEU HB2 H 1 1.748 0.02 . 2 . . . . 344 L HB1 . 15935 1 1608 . 2 2 43 43 LEU HB3 H 1 1.298 0.02 . 2 . . . . 344 L HB2 . 15935 1 1609 . 2 2 43 43 LEU HD11 H 1 0.258 0.02 . 2 . . . . 344 L HD11 . 15935 1 1610 . 2 2 43 43 LEU HD12 H 1 0.258 0.02 . 2 . . . . 344 L HD11 . 15935 1 1611 . 2 2 43 43 LEU HD13 H 1 0.258 0.02 . 2 . . . . 344 L HD11 . 15935 1 1612 . 2 2 43 43 LEU HD21 H 1 0.480 0.02 . 2 . . . . 344 L HD21 . 15935 1 1613 . 2 2 43 43 LEU HD22 H 1 0.480 0.02 . 2 . . . . 344 L HD21 . 15935 1 1614 . 2 2 43 43 LEU HD23 H 1 0.480 0.02 . 2 . . . . 344 L HD21 . 15935 1 1615 . 2 2 43 43 LEU HG H 1 1.282 0.02 . 1 . . . . 344 L HG . 15935 1 1616 . 2 2 43 43 LEU C C 13 180.623 0.3 . 1 . . . . 344 L C . 15935 1 1617 . 2 2 43 43 LEU CA C 13 57.073 0.3 . 1 . . . . 344 L CA . 15935 1 1618 . 2 2 43 43 LEU CB C 13 40.512 0.3 . 1 . . . . 344 L CB . 15935 1 1619 . 2 2 43 43 LEU CD1 C 13 24.567 0.3 . 2 . . . . 344 L CD1 . 15935 1 1620 . 2 2 43 43 LEU CD2 C 13 21.135 0.3 . 2 . . . . 344 L CD2 . 15935 1 1621 . 2 2 43 43 LEU CG C 13 26.635 0.3 . 1 . . . . 344 L CG . 15935 1 1622 . 2 2 43 43 LEU N N 15 117.094 0.3 . 1 . . . . 344 L N . 15935 1 1623 . 2 2 44 44 LEU H H 1 8.127 0.02 . 1 . . . . 345 L HN . 15935 1 1624 . 2 2 44 44 LEU HA H 1 4.101 0.02 . 1 . . . . 345 L HA . 15935 1 1625 . 2 2 44 44 LEU HB2 H 1 2.152 0.02 . 2 . . . . 345 L HB1 . 15935 1 1626 . 2 2 44 44 LEU HB3 H 1 1.223 0.02 . 2 . . . . 345 L HB2 . 15935 1 1627 . 2 2 44 44 LEU HD11 H 1 0.870 0.02 . 2 . . . . 345 L HD11 . 15935 1 1628 . 2 2 44 44 LEU HD12 H 1 0.870 0.02 . 2 . . . . 345 L HD11 . 15935 1 1629 . 2 2 44 44 LEU HD13 H 1 0.870 0.02 . 2 . . . . 345 L HD11 . 15935 1 1630 . 2 2 44 44 LEU HD21 H 1 0.880 0.02 . 2 . . . . 345 L HD21 . 15935 1 1631 . 2 2 44 44 LEU HD22 H 1 0.880 0.02 . 2 . . . . 345 L HD21 . 15935 1 1632 . 2 2 44 44 LEU HD23 H 1 0.880 0.02 . 2 . . . . 345 L HD21 . 15935 1 1633 . 2 2 44 44 LEU HG H 1 1.877 0.02 . 1 . . . . 345 L HG . 15935 1 1634 . 2 2 44 44 LEU C C 13 180.226 0.3 . 1 . . . . 345 L C . 15935 1 1635 . 2 2 44 44 LEU CA C 13 58.012 0.3 . 1 . . . . 345 L CA . 15935 1 1636 . 2 2 44 44 LEU CB C 13 42.379 0.3 . 1 . . . . 345 L CB . 15935 1 1637 . 2 2 44 44 LEU CD1 C 13 25.192 0.3 . 2 . . . . 345 L CD1 . 15935 1 1638 . 2 2 44 44 LEU CD2 C 13 22.695 0.3 . 2 . . . . 345 L CD2 . 15935 1 1639 . 2 2 44 44 LEU CG C 13 30.512 0.3 . 1 . . . . 345 L CG . 15935 1 1640 . 2 2 44 44 LEU N N 15 122.460 0.3 . 1 . . . . 345 L N . 15935 1 1641 . 2 2 45 45 VAL H H 1 8.551 0.02 . 1 . . . . 346 V HN . 15935 1 1642 . 2 2 45 45 VAL HA H 1 3.507 0.02 . 1 . . . . 346 V HA . 15935 1 1643 . 2 2 45 45 VAL HB H 1 2.185 0.02 . 1 . . . . 346 V HB . 15935 1 1644 . 2 2 45 45 VAL HG11 H 1 0.954 0.02 . 2 . . . . 346 V HG11 . 15935 1 1645 . 2 2 45 45 VAL HG12 H 1 0.954 0.02 . 2 . . . . 346 V HG11 . 15935 1 1646 . 2 2 45 45 VAL HG13 H 1 0.954 0.02 . 2 . . . . 346 V HG11 . 15935 1 1647 . 2 2 45 45 VAL HG21 H 1 0.957 0.02 . 2 . . . . 346 V HG21 . 15935 1 1648 . 2 2 45 45 VAL HG22 H 1 0.957 0.02 . 2 . . . . 346 V HG21 . 15935 1 1649 . 2 2 45 45 VAL HG23 H 1 0.957 0.02 . 2 . . . . 346 V HG21 . 15935 1 1650 . 2 2 45 45 VAL C C 13 177.546 0.3 . 1 . . . . 346 V C . 15935 1 1651 . 2 2 45 45 VAL CA C 13 67.076 0.3 . 1 . . . . 346 V CA . 15935 1 1652 . 2 2 45 45 VAL CB C 13 31.432 0.3 . 1 . . . . 346 V CB . 15935 1 1653 . 2 2 45 45 VAL CG1 C 13 22.408 0.3 . 2 . . . . 346 V CG1 . 15935 1 1654 . 2 2 45 45 VAL CG2 C 13 21.132 0.3 . 2 . . . . 346 V CG2 . 15935 1 1655 . 2 2 45 45 VAL N N 15 120.165 0.3 . 1 . . . . 346 V N . 15935 1 1656 . 2 2 46 46 GLN H H 1 8.463 0.02 . 1 . . . . 347 Q HN . 15935 1 1657 . 2 2 46 46 GLN HA H 1 3.707 0.02 . 1 . . . . 347 Q HA . 15935 1 1658 . 2 2 46 46 GLN HB2 H 1 2.635 0.02 . 2 . . . . 347 Q HB1 . 15935 1 1659 . 2 2 46 46 GLN HB3 H 1 2.011 0.02 . 2 . . . . 347 Q HB2 . 15935 1 1660 . 2 2 46 46 GLN HG2 H 1 2.424 0.02 . 2 . . . . 347 Q HG1 . 15935 1 1661 . 2 2 46 46 GLN HG3 H 1 2.373 0.02 . 2 . . . . 347 Q HG2 . 15935 1 1662 . 2 2 46 46 GLN C C 13 178.135 0.3 . 1 . . . . 347 Q C . 15935 1 1663 . 2 2 46 46 GLN CA C 13 59.850 0.3 . 1 . . . . 347 Q CA . 15935 1 1664 . 2 2 46 46 GLN CB C 13 26.448 0.3 . 1 . . . . 347 Q CB . 15935 1 1665 . 2 2 46 46 GLN CG C 13 32.380 0.3 . 1 . . . . 347 Q CG . 15935 1 1666 . 2 2 46 46 GLN N N 15 120.393 0.3 . 1 . . . . 347 Q N . 15935 1 1667 . 2 2 47 47 GLN H H 1 8.016 0.02 . 1 . . . . 348 Q HN . 15935 1 1668 . 2 2 47 47 GLN HA H 1 4.033 0.02 . 1 . . . . 348 Q HA . 15935 1 1669 . 2 2 47 47 GLN HB2 H 1 2.205 0.02 . 2 . . . . 348 Q HB1 . 15935 1 1670 . 2 2 47 47 GLN HB3 H 1 2.137 0.02 . 2 . . . . 348 Q HB2 . 15935 1 1671 . 2 2 47 47 GLN HG2 H 1 2.671 0.02 . 2 . . . . 348 Q HG1 . 15935 1 1672 . 2 2 47 47 GLN HG3 H 1 2.459 0.02 . 2 . . . . 348 Q HG2 . 15935 1 1673 . 2 2 47 47 GLN C C 13 178.805 0.3 . 1 . . . . 348 Q C . 15935 1 1674 . 2 2 47 47 GLN CA C 13 58.223 0.3 . 1 . . . . 348 Q CA . 15935 1 1675 . 2 2 47 47 GLN CB C 13 29.331 0.3 . 1 . . . . 348 Q CB . 15935 1 1676 . 2 2 47 47 GLN CG C 13 34.252 0.3 . 1 . . . . 348 Q CG . 15935 1 1677 . 2 2 47 47 GLN N N 15 117.103 0.3 . 1 . . . . 348 Q N . 15935 1 1678 . 2 2 48 48 LYS H H 1 7.964 0.02 . 1 . . . . 349 K HN . 15935 1 1679 . 2 2 48 48 LYS HA H 1 4.177 0.02 . 1 . . . . 349 K HA . 15935 1 1680 . 2 2 48 48 LYS HB2 H 1 2.208 0.02 . 2 . . . . 349 K HB1 . 15935 1 1681 . 2 2 48 48 LYS HB3 H 1 1.967 0.02 . 2 . . . . 349 K HB2 . 15935 1 1682 . 2 2 48 48 LYS HD2 H 1 1.982 0.02 . 2 . . . . 349 K HD1 . 15935 1 1683 . 2 2 48 48 LYS HD3 H 1 1.677 0.02 . 2 . . . . 349 K HD2 . 15935 1 1684 . 2 2 48 48 LYS HE2 H 1 3.012 0.02 . 2 . . . . 349 K HE1 . 15935 1 1685 . 2 2 48 48 LYS HE3 H 1 2.901 0.02 . 2 . . . . 349 K HE2 . 15935 1 1686 . 2 2 48 48 LYS HG2 H 1 1.690 0.02 . 2 . . . . 349 K HG1 . 15935 1 1687 . 2 2 48 48 LYS HG3 H 1 1.466 0.02 . 2 . . . . 349 K HG2 . 15935 1 1688 . 2 2 48 48 LYS C C 13 177.814 0.3 . 1 . . . . 349 K C . 15935 1 1689 . 2 2 48 48 LYS CA C 13 57.380 0.3 . 1 . . . . 349 K CA . 15935 1 1690 . 2 2 48 48 LYS CB C 13 31.763 0.3 . 1 . . . . 349 K CB . 15935 1 1691 . 2 2 48 48 LYS CD C 13 27.867 0.3 . 1 . . . . 349 K CD . 15935 1 1692 . 2 2 48 48 LYS CE C 13 42.383 0.3 . 1 . . . . 349 K CE . 15935 1 1693 . 2 2 48 48 LYS CG C 13 24.579 0.3 . 1 . . . . 349 K CG . 15935 1 1694 . 2 2 48 48 LYS N N 15 117.980 0.3 . 1 . . . . 349 K N . 15935 1 1695 . 2 2 49 49 ALA H H 1 7.940 0.02 . 1 . . . . 350 A HN . 15935 1 1696 . 2 2 49 49 ALA HA H 1 4.420 0.02 . 1 . . . . 350 A HA . 15935 1 1697 . 2 2 49 49 ALA HB1 H 1 1.412 0.02 . 1 . . . . 350 A HB1 . 15935 1 1698 . 2 2 49 49 ALA HB2 H 1 1.412 0.02 . 1 . . . . 350 A HB1 . 15935 1 1699 . 2 2 49 49 ALA HB3 H 1 1.412 0.02 . 1 . . . . 350 A HB1 . 15935 1 1700 . 2 2 49 49 ALA C C 13 176.083 0.3 . 1 . . . . 350 A C . 15935 1 1701 . 2 2 49 49 ALA CA C 13 52.068 0.3 . 1 . . . . 350 A CA . 15935 1 1702 . 2 2 49 49 ALA CB C 13 21.448 0.3 . 1 . . . . 350 A CB . 15935 1 1703 . 2 2 49 49 ALA N N 15 119.289 0.3 . 1 . . . . 350 A N . 15935 1 1704 . 2 2 50 50 LYS H H 1 8.036 0.02 . 1 . . . . 351 K HN . 15935 1 1705 . 2 2 50 50 LYS HA H 1 4.028 0.02 . 1 . . . . 351 K HA . 15935 1 1706 . 2 2 50 50 LYS HB2 H 1 2.040 0.02 . 2 . . . . 351 K HB1 . 15935 1 1707 . 2 2 50 50 LYS HB3 H 1 1.904 0.02 . 2 . . . . 351 K HB2 . 15935 1 1708 . 2 2 50 50 LYS HD2 H 1 1.700 0.02 . 2 . . . . 351 K HD1 . 15935 1 1709 . 2 2 50 50 LYS HD3 H 1 1.700 0.02 . 2 . . . . 351 K HD2 . 15935 1 1710 . 2 2 50 50 LYS HE2 H 1 3.048 0.02 . 2 . . . . 351 K HE1 . 15935 1 1711 . 2 2 50 50 LYS HE3 H 1 3.048 0.02 . 2 . . . . 351 K HE2 . 15935 1 1712 . 2 2 50 50 LYS HG2 H 1 1.394 0.02 . 2 . . . . 351 K HG1 . 15935 1 1713 . 2 2 50 50 LYS HG3 H 1 1.394 0.02 . 2 . . . . 351 K HG2 . 15935 1 1714 . 2 2 50 50 LYS C C 13 175.774 0.3 . 1 . . . . 351 K C . 15935 1 1715 . 2 2 50 50 LYS CA C 13 56.899 0.3 . 1 . . . . 351 K CA . 15935 1 1716 . 2 2 50 50 LYS CB C 13 29.040 0.3 . 1 . . . . 351 K CB . 15935 1 1717 . 2 2 50 50 LYS CD C 13 27.070 0.3 . 1 . . . . 351 K CD . 15935 1 1718 . 2 2 50 50 LYS CE C 13 42.211 0.3 . 1 . . . . 351 K CE . 15935 1 1719 . 2 2 50 50 LYS CG C 13 24.884 0.3 . 1 . . . . 351 K CG . 15935 1 1720 . 2 2 50 50 LYS N N 15 116.889 0.3 . 1 . . . . 351 K N . 15935 1 1721 . 2 2 51 51 VAL H H 1 7.066 0.02 . 1 . . . . 352 V HN . 15935 1 1722 . 2 2 51 51 VAL HA H 1 4.689 0.02 . 1 . . . . 352 V HA . 15935 1 1723 . 2 2 51 51 VAL HB H 1 2.193 0.02 . 1 . . . . 352 V HB . 15935 1 1724 . 2 2 51 51 VAL HG11 H 1 0.805 0.02 . 2 . . . . 352 V HG11 . 15935 1 1725 . 2 2 51 51 VAL HG12 H 1 0.805 0.02 . 2 . . . . 352 V HG11 . 15935 1 1726 . 2 2 51 51 VAL HG13 H 1 0.805 0.02 . 2 . . . . 352 V HG11 . 15935 1 1727 . 2 2 51 51 VAL HG21 H 1 0.819 0.02 . 2 . . . . 352 V HG21 . 15935 1 1728 . 2 2 51 51 VAL HG22 H 1 0.819 0.02 . 2 . . . . 352 V HG21 . 15935 1 1729 . 2 2 51 51 VAL HG23 H 1 0.819 0.02 . 2 . . . . 352 V HG21 . 15935 1 1730 . 2 2 51 51 VAL C C 13 175.008 0.3 . 1 . . . . 352 V C . 15935 1 1731 . 2 2 51 51 VAL CA C 13 59.112 0.3 . 1 . . . . 352 V CA . 15935 1 1732 . 2 2 51 51 VAL CB C 13 33.946 0.3 . 1 . . . . 352 V CB . 15935 1 1733 . 2 2 51 51 VAL CG1 C 13 21.128 0.3 . 2 . . . . 352 V CG1 . 15935 1 1734 . 2 2 51 51 VAL CG2 C 13 20.197 0.3 . 2 . . . . 352 V CG2 . 15935 1 1735 . 2 2 51 51 VAL N N 15 113.161 0.3 . 1 . . . . 352 V N . 15935 1 1736 . 2 2 52 52 LYS H H 1 8.106 0.02 . 1 . . . . 353 K HN . 15935 1 1737 . 2 2 52 52 LYS HA H 1 4.446 0.02 . 1 . . . . 353 K HA . 15935 1 1738 . 2 2 52 52 LYS HB2 H 1 1.841 0.02 . 2 . . . . 353 K HB1 . 15935 1 1739 . 2 2 52 52 LYS HB3 H 1 1.772 0.02 . 2 . . . . 353 K HB2 . 15935 1 1740 . 2 2 52 52 LYS HD2 H 1 1.708 0.02 . 2 . . . . 353 K HD1 . 15935 1 1741 . 2 2 52 52 LYS HD3 H 1 1.622 0.02 . 2 . . . . 353 K HD2 . 15935 1 1742 . 2 2 52 52 LYS HE2 H 1 3.051 0.02 . 2 . . . . 353 K HE1 . 15935 1 1743 . 2 2 52 52 LYS HE3 H 1 3.002 0.02 . 2 . . . . 353 K HE2 . 15935 1 1744 . 2 2 52 52 LYS HG2 H 1 1.457 0.02 . 2 . . . . 353 K HG1 . 15935 1 1745 . 2 2 52 52 LYS HG3 H 1 1.409 0.02 . 2 . . . . 353 K HG2 . 15935 1 1746 . 2 2 52 52 LYS C C 13 176.730 0.3 . 1 . . . . 353 K C . 15935 1 1747 . 2 2 52 52 LYS CA C 13 55.495 0.3 . 1 . . . . 353 K CA . 15935 1 1748 . 2 2 52 52 LYS CB C 13 33.011 0.3 . 1 . . . . 353 K CB . 15935 1 1749 . 2 2 52 52 LYS CD C 13 28.948 0.3 . 1 . . . . 353 K CD . 15935 1 1750 . 2 2 52 52 LYS CE C 13 42.475 0.3 . 1 . . . . 353 K CE . 15935 1 1751 . 2 2 52 52 LYS CG C 13 25.139 0.3 . 1 . . . . 353 K CG . 15935 1 1752 . 2 2 52 52 LYS N N 15 121.806 0.3 . 1 . . . . 353 K N . 15935 1 1753 . 2 2 53 53 ILE H H 1 8.279 0.02 . 1 . . . . 354 I HN . 15935 1 1754 . 2 2 53 53 ILE CA C 13 58.306 0.3 . 1 . . . . 354 I CA . 15935 1 1755 . 2 2 53 53 ILE CB C 13 38.128 0.3 . 1 . . . . 354 I CB . 15935 1 1756 . 2 2 53 53 ILE N N 15 123.652 0.3 . 1 . . . . 354 I N . 15935 1 1757 . 2 2 56 56 LYS HA H 1 3.740 0.02 . 1 . . . . 357 K HA . 15935 1 1758 . 2 2 56 56 LYS HB2 H 1 1.425 0.02 . 2 . . . . 357 K HB1 . 15935 1 1759 . 2 2 56 56 LYS HB3 H 1 0.879 0.02 . 2 . . . . 357 K HB2 . 15935 1 1760 . 2 2 56 56 LYS HD2 H 1 1.195 0.02 . 2 . . . . 357 K HD1 . 15935 1 1761 . 2 2 56 56 LYS HD3 H 1 1.117 0.02 . 2 . . . . 357 K HD2 . 15935 1 1762 . 2 2 56 56 LYS HE2 H 1 2.475 0.02 . 2 . . . . 357 K HE1 . 15935 1 1763 . 2 2 56 56 LYS HE3 H 1 2.244 0.02 . 2 . . . . 357 K HE2 . 15935 1 1764 . 2 2 56 56 LYS HG2 H 1 0.167 0.02 . 2 . . . . 357 K HG1 . 15935 1 1765 . 2 2 56 56 LYS HG3 H 1 0.107 0.02 . 2 . . . . 357 K HG2 . 15935 1 1766 . 2 2 56 56 LYS C C 13 176.304 0.3 . 1 . . . . 357 K C . 15935 1 1767 . 2 2 56 56 LYS CA C 13 58.628 0.3 . 1 . . . . 357 K CA . 15935 1 1768 . 2 2 56 56 LYS CB C 13 32.062 0.3 . 1 . . . . 357 K CB . 15935 1 1769 . 2 2 56 56 LYS CD C 13 28.948 0.3 . 1 . . . . 357 K CD . 15935 1 1770 . 2 2 56 56 LYS CE C 13 41.447 0.3 . 1 . . . . 357 K CE . 15935 1 1771 . 2 2 56 56 LYS CG C 13 23.323 0.3 . 1 . . . . 357 K CG . 15935 1 1772 . 2 2 57 57 TRP H H 1 7.117 0.02 . 1 . . . . 358 W HN . 15935 1 1773 . 2 2 57 57 TRP HA H 1 4.908 0.02 . 1 . . . . 358 W HA . 15935 1 1774 . 2 2 57 57 TRP HB2 H 1 2.065 0.02 . 2 . . . . 358 W HB1 . 15935 1 1775 . 2 2 57 57 TRP HB3 H 1 1.991 0.02 . 2 . . . . 358 W HB2 . 15935 1 1776 . 2 2 57 57 TRP HD1 H 1 6.983 0.02 . 1 . . . . 358 W HD1 . 15935 1 1777 . 2 2 57 57 TRP HE1 H 1 10.901 0.02 . 1 . . . . 358 W HE1 . 15935 1 1778 . 2 2 57 57 TRP HE3 H 1 7.048 0.02 . 1 . . . . 358 W HE3 . 15935 1 1779 . 2 2 57 57 TRP HH2 H 1 7.038 0.02 . 1 . . . . 358 W HH2 . 15935 1 1780 . 2 2 57 57 TRP HZ2 H 1 7.339 0.02 . 1 . . . . 358 W HZ2 . 15935 1 1781 . 2 2 57 57 TRP HZ3 H 1 7.394 0.02 . 1 . . . . 358 W HZ3 . 15935 1 1782 . 2 2 57 57 TRP C C 13 176.932 0.3 . 1 . . . . 358 W C . 15935 1 1783 . 2 2 57 57 TRP CA C 13 55.057 0.3 . 1 . . . . 358 W CA . 15935 1 1784 . 2 2 57 57 TRP CB C 13 31.135 0.3 . 1 . . . . 358 W CB . 15935 1 1785 . 2 2 57 57 TRP CD1 C 13 126.200 0.3 . 1 . . . . 358 W CD1 . 15935 1 1786 . 2 2 57 57 TRP CE3 C 13 121.892 0.3 . 1 . . . . 358 W CE3 . 15935 1 1787 . 2 2 57 57 TRP CH2 C 13 124.372 0.3 . 1 . . . . 358 W CH2 . 15935 1 1788 . 2 2 57 57 TRP CZ2 C 13 114.557 0.3 . 1 . . . . 358 W CZ2 . 15935 1 1789 . 2 2 57 57 TRP CZ3 C 13 120.914 0.3 . 1 . . . . 358 W CZ3 . 15935 1 1790 . 2 2 57 57 TRP N N 15 116.588 0.3 . 1 . . . . 358 W N . 15935 1 1791 . 2 2 57 57 TRP NE1 N 15 129.974 0.3 . 1 . . . . 358 W NE1 . 15935 1 1792 . 2 2 58 58 LYS H H 1 7.323 0.02 . 1 . . . . 359 K HN . 15935 1 1793 . 2 2 58 58 LYS HA H 1 3.938 0.02 . 1 . . . . 359 K HA . 15935 1 1794 . 2 2 58 58 LYS HB2 H 1 1.749 0.02 . 2 . . . . 359 K HB1 . 15935 1 1795 . 2 2 58 58 LYS HD2 H 1 1.510 0.02 . 2 . . . . 359 K HD1 . 15935 1 1796 . 2 2 58 58 LYS HG2 H 1 0.989 0.02 . 2 . . . . 359 K HG1 . 15935 1 1797 . 2 2 58 58 LYS CA C 13 60.197 0.3 . 1 . . . . 359 K CA . 15935 1 1798 . 2 2 58 58 LYS CB C 13 33.254 0.3 . 1 . . . . 359 K CB . 15935 1 1799 . 2 2 58 58 LYS N N 15 119.065 0.3 . 1 . . . . 359 K N . 15935 1 1800 . 2 2 59 59 ARG HA H 1 4.445 0.02 . 1 . . . . 360 R HA . 15935 1 1801 . 2 2 59 59 ARG HB2 H 1 1.613 0.02 . 2 . . . . 360 R HB1 . 15935 1 1802 . 2 2 59 59 ARG HB3 H 1 1.408 0.02 . 2 . . . . 360 R HB2 . 15935 1 1803 . 2 2 59 59 ARG HD2 H 1 3.206 0.02 . 2 . . . . 360 R HD1 . 15935 1 1804 . 2 2 59 59 ARG HD3 H 1 3.158 0.02 . 2 . . . . 360 R HD2 . 15935 1 1805 . 2 2 59 59 ARG HG2 H 1 1.554 0.02 . 2 . . . . 360 R HG1 . 15935 1 1806 . 2 2 59 59 ARG HG3 H 1 1.467 0.02 . 2 . . . . 360 R HG2 . 15935 1 1807 . 2 2 59 59 ARG C C 13 177.318 0.3 . 1 . . . . 360 R C . 15935 1 1808 . 2 2 59 59 ARG CA C 13 55.202 0.3 . 1 . . . . 360 R CA . 15935 1 1809 . 2 2 59 59 ARG CB C 13 29.802 0.3 . 1 . . . . 360 R CB . 15935 1 1810 . 2 2 59 59 ARG CD C 13 43.328 0.3 . 1 . . . . 360 R CD . 15935 1 1811 . 2 2 59 59 ARG CG C 13 27.163 0.3 . 1 . . . . 360 R CG . 15935 1 1812 . 2 2 60 60 ARG H H 1 7.610 0.02 . 1 . . . . 361 R HN . 15935 1 1813 . 2 2 60 60 ARG HA H 1 4.242 0.02 . 1 . . . . 361 R HA . 15935 1 1814 . 2 2 60 60 ARG HB2 H 1 2.536 0.02 . 2 . . . . 361 R HB1 . 15935 1 1815 . 2 2 60 60 ARG HB3 H 1 2.036 0.02 . 2 . . . . 361 R HB2 . 15935 1 1816 . 2 2 60 60 ARG HD2 H 1 3.391 0.02 . 2 . . . . 361 R HD1 . 15935 1 1817 . 2 2 60 60 ARG HD3 H 1 2.957 0.02 . 2 . . . . 361 R HD2 . 15935 1 1818 . 2 2 60 60 ARG HG2 H 1 2.111 0.02 . 2 . . . . 361 R HG1 . 15935 1 1819 . 2 2 60 60 ARG HG3 H 1 1.558 0.02 . 2 . . . . 361 R HG2 . 15935 1 1820 . 2 2 60 60 ARG C C 13 172.412 0.3 . 1 . . . . 361 R C . 15935 1 1821 . 2 2 60 60 ARG CA C 13 53.944 0.3 . 1 . . . . 361 R CA . 15935 1 1822 . 2 2 60 60 ARG CB C 13 28.011 0.3 . 1 . . . . 361 R CB . 15935 1 1823 . 2 2 60 60 ARG CD C 13 40.812 0.3 . 1 . . . . 361 R CD . 15935 1 1824 . 2 2 60 60 ARG CG C 13 25.656 0.3 . 1 . . . . 361 R CG . 15935 1 1825 . 2 2 60 60 ARG N N 15 116.439 0.3 . 1 . . . . 361 R N . 15935 1 1826 . 2 2 61 61 TYR H H 1 6.933 0.02 . 1 . . . . 362 Y HN . 15935 1 1827 . 2 2 61 61 TYR HA H 1 5.798 0.02 . 1 . . . . 362 Y HA . 15935 1 1828 . 2 2 61 61 TYR HB2 H 1 3.056 0.02 . 2 . . . . 362 Y HB1 . 15935 1 1829 . 2 2 61 61 TYR HB3 H 1 2.920 0.02 . 2 . . . . 362 Y HB2 . 15935 1 1830 . 2 2 61 61 TYR HD1 H 1 6.996 0.02 . 3 . . . . 362 Y HD1 . 15935 1 1831 . 2 2 61 61 TYR HD2 H 1 6.996 0.02 . 3 . . . . 362 Y HD2 . 15935 1 1832 . 2 2 61 61 TYR HE1 H 1 6.738 0.02 . 3 . . . . 362 Y HE1 . 15935 1 1833 . 2 2 61 61 TYR HE2 H 1 6.738 0.02 . 3 . . . . 362 Y HE2 . 15935 1 1834 . 2 2 61 61 TYR C C 13 173.242 0.3 . 1 . . . . 362 Y C . 15935 1 1835 . 2 2 61 61 TYR CA C 13 54.572 0.3 . 1 . . . . 362 Y CA . 15935 1 1836 . 2 2 61 61 TYR CB C 13 42.622 0.3 . 1 . . . . 362 Y CB . 15935 1 1837 . 2 2 61 61 TYR CD1 C 13 133.105 0.3 . 3 . . . . 362 Y CD1 . 15935 1 1838 . 2 2 61 61 TYR CD2 C 13 133.105 0.3 . 3 . . . . 362 Y CD2 . 15935 1 1839 . 2 2 61 61 TYR CE1 C 13 118.223 0.3 . 3 . . . . 362 Y CE1 . 15935 1 1840 . 2 2 61 61 TYR CE2 C 13 118.223 0.3 . 3 . . . . 362 Y CE2 . 15935 1 1841 . 2 2 61 61 TYR N N 15 112.719 0.3 . 1 . . . . 362 Y N . 15935 1 1842 . 2 2 62 62 CYS H H 1 9.144 0.02 . 1 . . . . 363 C HN . 15935 1 1843 . 2 2 62 62 CYS HA H 1 4.262 0.02 . 1 . . . . 363 C HA . 15935 1 1844 . 2 2 62 62 CYS HB2 H 1 3.406 0.02 . 2 . . . . 363 C HB1 . 15935 1 1845 . 2 2 62 62 CYS HB3 H 1 2.974 0.02 . 2 . . . . 363 C HB2 . 15935 1 1846 . 2 2 62 62 CYS C C 13 178.045 0.3 . 1 . . . . 363 C C . 15935 1 1847 . 2 2 62 62 CYS CA C 13 59.550 0.3 . 1 . . . . 363 C CA . 15935 1 1848 . 2 2 62 62 CYS CB C 13 31.760 0.3 . 1 . . . . 363 C CB . 15935 1 1849 . 2 2 62 62 CYS N N 15 124.551 0.3 . 1 . . . . 363 C N . 15935 1 1850 . 2 2 63 63 LYS H H 1 7.784 0.02 . 1 . . . . 364 K HN . 15935 1 1851 . 2 2 63 63 LYS HA H 1 4.211 0.02 . 1 . . . . 364 K HA . 15935 1 1852 . 2 2 63 63 LYS HB2 H 1 2.196 0.02 . 2 . . . . 364 K HB1 . 15935 1 1853 . 2 2 63 63 LYS HB3 H 1 1.977 0.02 . 2 . . . . 364 K HB2 . 15935 1 1854 . 2 2 63 63 LYS HD2 H 1 1.787 0.02 . 2 . . . . 364 K HD1 . 15935 1 1855 . 2 2 63 63 LYS HD3 H 1 1.739 0.02 . 2 . . . . 364 K HD2 . 15935 1 1856 . 2 2 63 63 LYS HE2 H 1 3.255 0.02 . 2 . . . . 364 K HE1 . 15935 1 1857 . 2 2 63 63 LYS HE3 H 1 3.099 0.02 . 2 . . . . 364 K HE2 . 15935 1 1858 . 2 2 63 63 LYS HG2 H 1 1.749 0.02 . 2 . . . . 364 K HG1 . 15935 1 1859 . 2 2 63 63 LYS HG3 H 1 1.588 0.02 . 2 . . . . 364 K HG2 . 15935 1 1860 . 2 2 63 63 LYS C C 13 175.441 0.3 . 1 . . . . 364 K C . 15935 1 1861 . 2 2 63 63 LYS CA C 13 58.822 0.3 . 1 . . . . 364 K CA . 15935 1 1862 . 2 2 63 63 LYS CB C 13 33.012 0.3 . 1 . . . . 364 K CB . 15935 1 1863 . 2 2 63 63 LYS CD C 13 29.011 0.3 . 1 . . . . 364 K CD . 15935 1 1864 . 2 2 63 63 LYS CE C 13 42.675 0.3 . 1 . . . . 364 K CE . 15935 1 1865 . 2 2 63 63 LYS CG C 13 26.156 0.3 . 1 . . . . 364 K CG . 15935 1 1866 . 2 2 63 63 LYS N N 15 129.796 0.3 . 1 . . . . 364 K N . 15935 1 1867 . 2 2 64 64 LYS H H 1 9.274 0.02 . 1 . . . . 365 K HN . 15935 1 1868 . 2 2 64 64 LYS HA H 1 4.208 0.02 . 1 . . . . 365 K HA . 15935 1 1869 . 2 2 64 64 LYS HB2 H 1 1.972 0.02 . 2 . . . . 365 K HB1 . 15935 1 1870 . 2 2 64 64 LYS HB3 H 1 1.797 0.02 . 2 . . . . 365 K HB2 . 15935 1 1871 . 2 2 64 64 LYS HD2 H 1 1.739 0.02 . 2 . . . . 365 K HD1 . 15935 1 1872 . 2 2 64 64 LYS HD3 H 1 1.700 0.02 . 2 . . . . 365 K HD2 . 15935 1 1873 . 2 2 64 64 LYS HE2 H 1 2.879 0.02 . 2 . . . . 365 K HE1 . 15935 1 1874 . 2 2 64 64 LYS HE3 H 1 2.879 0.02 . 2 . . . . 365 K HE2 . 15935 1 1875 . 2 2 64 64 LYS HG2 H 1 0.954 0.02 . 2 . . . . 365 K HG1 . 15935 1 1876 . 2 2 64 64 LYS HG3 H 1 0.557 0.02 . 2 . . . . 365 K HG2 . 15935 1 1877 . 2 2 64 64 LYS C C 13 176.351 0.3 . 1 . . . . 365 K C . 15935 1 1878 . 2 2 64 64 LYS CA C 13 58.009 0.3 . 1 . . . . 365 K CA . 15935 1 1879 . 2 2 64 64 LYS CB C 13 32.392 0.3 . 1 . . . . 365 K CB . 15935 1 1880 . 2 2 64 64 LYS CD C 13 28.747 0.3 . 1 . . . . 365 K CD . 15935 1 1881 . 2 2 64 64 LYS CE C 13 42.651 0.3 . 1 . . . . 365 K CE . 15935 1 1882 . 2 2 64 64 LYS CG C 13 24.886 0.3 . 1 . . . . 365 K CG . 15935 1 1883 . 2 2 64 64 LYS N N 15 123.221 0.3 . 1 . . . . 365 K N . 15935 1 1884 . 2 2 65 65 CYS H H 1 9.151 0.02 . 1 . . . . 366 C HN . 15935 1 1885 . 2 2 65 65 CYS HA H 1 4.557 0.02 . 1 . . . . 366 C HA . 15935 1 1886 . 2 2 65 65 CYS HB2 H 1 3.153 0.02 . 2 . . . . 366 C HB1 . 15935 1 1887 . 2 2 65 65 CYS HB3 H 1 2.717 0.02 . 2 . . . . 366 C HB2 . 15935 1 1888 . 2 2 65 65 CYS C C 13 176.234 0.3 . 1 . . . . 366 C C . 15935 1 1889 . 2 2 65 65 CYS CA C 13 59.266 0.3 . 1 . . . . 366 C CA . 15935 1 1890 . 2 2 65 65 CYS CB C 13 31.756 0.3 . 1 . . . . 366 C CB . 15935 1 1891 . 2 2 65 65 CYS N N 15 121.694 0.3 . 1 . . . . 366 C N . 15935 1 1892 . 2 2 66 66 HIS H H 1 7.690 0.02 . 1 . . . . 367 H HN . 15935 1 1893 . 2 2 66 66 HIS HA H 1 4.805 0.02 . 1 . . . . 367 H HA . 15935 1 1894 . 2 2 66 66 HIS HB2 H 1 3.789 0.02 . 2 . . . . 367 H HB1 . 15935 1 1895 . 2 2 66 66 HIS HB3 H 1 3.376 0.02 . 2 . . . . 367 H HB2 . 15935 1 1896 . 2 2 66 66 HIS HE1 H 1 7.749 0.02 . 1 . . . . 367 H HE1 . 15935 1 1897 . 2 2 66 66 HIS C C 13 171.108 0.3 . 1 . . . . 367 H C . 15935 1 1898 . 2 2 66 66 HIS CA C 13 56.143 0.3 . 1 . . . . 367 H CA . 15935 1 1899 . 2 2 66 66 HIS CB C 13 26.452 0.3 . 1 . . . . 367 H CB . 15935 1 1900 . 2 2 66 66 HIS CE1 C 13 138.790 0.3 . 1 . . . . 367 H CE1 . 15935 1 1901 . 2 2 66 66 HIS N N 15 114.687 0.3 . 1 . . . . 367 H N . 15935 1 1902 . 2 2 67 67 ALA H H 1 8.613 0.02 . 1 . . . . 368 A HN . 15935 1 1903 . 2 2 67 67 ALA HA H 1 4.209 0.02 . 1 . . . . 368 A HA . 15935 1 1904 . 2 2 67 67 ALA HB1 H 1 1.381 0.02 . 1 . . . . 368 A HB1 . 15935 1 1905 . 2 2 67 67 ALA HB2 H 1 1.381 0.02 . 1 . . . . 368 A HB1 . 15935 1 1906 . 2 2 67 67 ALA HB3 H 1 1.381 0.02 . 1 . . . . 368 A HB1 . 15935 1 1907 . 2 2 67 67 ALA C C 13 177.961 0.3 . 1 . . . . 368 A C . 15935 1 1908 . 2 2 67 67 ALA CA C 13 53.328 0.3 . 1 . . . . 368 A CA . 15935 1 1909 . 2 2 67 67 ALA CB C 13 19.266 0.3 . 1 . . . . 368 A CB . 15935 1 1910 . 2 2 67 67 ALA N N 15 119.944 0.3 . 1 . . . . 368 A N . 15935 1 1911 . 2 2 68 68 PHE H H 1 8.298 0.02 . 1 . . . . 369 F HN . 15935 1 1912 . 2 2 68 68 PHE HA H 1 4.676 0.02 . 1 . . . . 369 F HA . 15935 1 1913 . 2 2 68 68 PHE HB2 H 1 3.047 0.02 . 2 . . . . 369 F HB1 . 15935 1 1914 . 2 2 68 68 PHE HB3 H 1 2.869 0.02 . 2 . . . . 369 F HB2 . 15935 1 1915 . 2 2 68 68 PHE HD1 H 1 6.855 0.02 . 3 . . . . 369 F HD1 . 15935 1 1916 . 2 2 68 68 PHE HD2 H 1 6.855 0.02 . 3 . . . . 369 F HD2 . 15935 1 1917 . 2 2 68 68 PHE HE1 H 1 7.141 0.02 . 3 . . . . 369 F HE1 . 15935 1 1918 . 2 2 68 68 PHE HE2 H 1 7.141 0.02 . 3 . . . . 369 F HE2 . 15935 1 1919 . 2 2 68 68 PHE HZ H 1 6.639 0.02 . 1 . . . . 369 F HZ . 15935 1 1920 . 2 2 68 68 PHE C C 13 174.176 0.3 . 1 . . . . 369 F C . 15935 1 1921 . 2 2 68 68 PHE CA C 13 58.361 0.3 . 1 . . . . 369 F CA . 15935 1 1922 . 2 2 68 68 PHE CB C 13 39.887 0.3 . 1 . . . . 369 F CB . 15935 1 1923 . 2 2 68 68 PHE CD1 C 13 133.216 0.3 . 3 . . . . 369 F CD1 . 15935 1 1924 . 2 2 68 68 PHE CD2 C 13 133.216 0.3 . 3 . . . . 369 F CD2 . 15935 1 1925 . 2 2 68 68 PHE CE1 C 13 132.025 0.3 . 3 . . . . 369 F CE1 . 15935 1 1926 . 2 2 68 68 PHE CE2 C 13 132.025 0.3 . 3 . . . . 369 F CE2 . 15935 1 1927 . 2 2 68 68 PHE CZ C 13 130.287 0.3 . 1 . . . . 369 F CZ . 15935 1 1928 . 2 2 68 68 PHE N N 15 122.575 0.3 . 1 . . . . 369 F N . 15935 1 1929 . 2 2 69 69 LEU H H 1 7.441 0.02 . 1 . . . . 370 L HN . 15935 1 1930 . 2 2 69 69 LEU HA H 1 4.534 0.02 . 1 . . . . 370 L HA . 15935 1 1931 . 2 2 69 69 LEU HB2 H 1 1.150 0.02 . 2 . . . . 370 L HB1 . 15935 1 1932 . 2 2 69 69 LEU HB3 H 1 0.660 0.02 . 2 . . . . 370 L HB2 . 15935 1 1933 . 2 2 69 69 LEU HD11 H 1 0.870 0.02 . 2 . . . . 370 L HD11 . 15935 1 1934 . 2 2 69 69 LEU HD12 H 1 0.870 0.02 . 2 . . . . 370 L HD11 . 15935 1 1935 . 2 2 69 69 LEU HD13 H 1 0.870 0.02 . 2 . . . . 370 L HD11 . 15935 1 1936 . 2 2 69 69 LEU HD21 H 1 0.583 0.02 . 2 . . . . 370 L HD21 . 15935 1 1937 . 2 2 69 69 LEU HD22 H 1 0.583 0.02 . 2 . . . . 370 L HD21 . 15935 1 1938 . 2 2 69 69 LEU HD23 H 1 0.583 0.02 . 2 . . . . 370 L HD21 . 15935 1 1939 . 2 2 69 69 LEU HG H 1 0.477 0.02 . 1 . . . . 370 L HG . 15935 1 1940 . 2 2 69 69 LEU C C 13 176.103 0.3 . 1 . . . . 370 L C . 15935 1 1941 . 2 2 69 69 LEU CA C 13 53.302 0.3 . 1 . . . . 370 L CA . 15935 1 1942 . 2 2 69 69 LEU CB C 13 43.323 0.3 . 1 . . . . 370 L CB . 15935 1 1943 . 2 2 69 69 LEU CD1 C 13 22.695 0.3 . 2 . . . . 370 L CD1 . 15935 1 1944 . 2 2 69 69 LEU CD2 C 13 24.886 0.3 . 2 . . . . 370 L CD2 . 15935 1 1945 . 2 2 69 69 LEU CG C 13 26.446 0.3 . 1 . . . . 370 L CG . 15935 1 1946 . 2 2 69 69 LEU N N 15 124.968 0.3 . 1 . . . . 370 L N . 15935 1 1947 . 2 2 70 70 VAL H H 1 9.604 0.02 . 1 . . . . 371 V HN . 15935 1 1948 . 2 2 70 70 VAL CA C 13 59.390 0.3 . 1 . . . . 371 V CA . 15935 1 1949 . 2 2 70 70 VAL CB C 13 33.917 0.3 . 1 . . . . 371 V CB . 15935 1 1950 . 2 2 70 70 VAL N N 15 125.857 0.3 . 1 . . . . 371 V N . 15935 1 1951 . 2 2 71 71 PRO HA H 1 4.163 0.02 . 1 . . . . 372 P HA . 15935 1 1952 . 2 2 71 71 PRO HB2 H 1 2.200 0.02 . 2 . . . . 372 P HB1 . 15935 1 1953 . 2 2 71 71 PRO HB3 H 1 2.001 0.02 . 2 . . . . 372 P HB2 . 15935 1 1954 . 2 2 71 71 PRO HD2 H 1 3.698 0.02 . 2 . . . . 372 P HD1 . 15935 1 1955 . 2 2 71 71 PRO HD3 H 1 3.582 0.02 . 2 . . . . 372 P HD2 . 15935 1 1956 . 2 2 71 71 PRO HG2 H 1 2.036 0.02 . 2 . . . . 372 P HG1 . 15935 1 1957 . 2 2 71 71 PRO HG3 H 1 1.912 0.02 . 2 . . . . 372 P HG2 . 15935 1 1958 . 2 2 71 71 PRO C C 13 176.494 0.3 . 1 . . . . 372 P C . 15935 1 1959 . 2 2 71 71 PRO CA C 13 63.635 0.3 . 1 . . . . 372 P CA . 15935 1 1960 . 2 2 71 71 PRO CB C 13 31.856 0.3 . 1 . . . . 372 P CB . 15935 1 1961 . 2 2 71 71 PRO CD C 13 51.452 0.3 . 1 . . . . 372 P CD . 15935 1 1962 . 2 2 71 71 PRO CG C 13 27.385 0.3 . 1 . . . . 372 P CG . 15935 1 1963 . 2 2 72 72 GLY H H 1 8.521 0.02 . 1 . . . . 373 G HN . 15935 1 1964 . 2 2 72 72 GLY HA2 H 1 4.534 0.02 . 2 . . . . 373 G HA1 . 15935 1 1965 . 2 2 72 72 GLY HA3 H 1 3.838 0.02 . 2 . . . . 373 G HA2 . 15935 1 1966 . 2 2 72 72 GLY C C 13 173.884 0.3 . 1 . . . . 373 G C . 15935 1 1967 . 2 2 72 72 GLY CA C 13 45.203 0.3 . 1 . . . . 373 G CA . 15935 1 1968 . 2 2 72 72 GLY N N 15 112.959 0.3 . 1 . . . . 373 G N . 15935 1 1969 . 2 2 73 73 ILE H H 1 8.325 0.02 . 1 . . . . 374 I HN . 15935 1 1970 . 2 2 73 73 ILE HA H 1 4.491 0.02 . 1 . . . . 374 I HA . 15935 1 1971 . 2 2 73 73 ILE HB H 1 1.970 0.02 . 1 . . . . 374 I HB . 15935 1 1972 . 2 2 73 73 ILE HD11 H 1 0.983 0.02 . 1 . . . . 374 I HD11 . 15935 1 1973 . 2 2 73 73 ILE HD12 H 1 0.983 0.02 . 1 . . . . 374 I HD11 . 15935 1 1974 . 2 2 73 73 ILE HD13 H 1 0.983 0.02 . 1 . . . . 374 I HD11 . 15935 1 1975 . 2 2 73 73 ILE HG12 H 1 1.575 0.02 . 2 . . . . 374 I HG11 . 15935 1 1976 . 2 2 73 73 ILE HG13 H 1 1.737 0.02 . 2 . . . . 374 I HG12 . 15935 1 1977 . 2 2 73 73 ILE HG21 H 1 1.191 0.02 . 1 . . . . 374 I HG21 . 15935 1 1978 . 2 2 73 73 ILE HG22 H 1 1.191 0.02 . 1 . . . . 374 I HG21 . 15935 1 1979 . 2 2 73 73 ILE HG23 H 1 1.191 0.02 . 1 . . . . 374 I HG21 . 15935 1 1980 . 2 2 73 73 ILE C C 13 175.726 0.3 . 1 . . . . 374 I C . 15935 1 1981 . 2 2 73 73 ILE CA C 13 62.361 0.3 . 1 . . . . 374 I CA . 15935 1 1982 . 2 2 73 73 ILE CB C 13 38.013 0.3 . 1 . . . . 374 I CB . 15935 1 1983 . 2 2 73 73 ILE CD1 C 13 11.448 0.3 . 1 . . . . 374 I CD1 . 15935 1 1984 . 2 2 73 73 ILE CG1 C 13 27.427 0.3 . 1 . . . . 374 I CG1 . 15935 1 1985 . 2 2 73 73 ILE CG2 C 13 16.773 0.3 . 1 . . . . 374 I CG2 . 15935 1 1986 . 2 2 73 73 ILE N N 15 120.816 0.3 . 1 . . . . 374 I N . 15935 1 1987 . 2 2 74 74 ASN H H 1 8.415 0.02 . 1 . . . . 375 N HN . 15935 1 1988 . 2 2 74 74 ASN HA H 1 4.935 0.02 . 1 . . . . 375 N HA . 15935 1 1989 . 2 2 74 74 ASN HB2 H 1 3.445 0.02 . 2 . . . . 375 N HB1 . 15935 1 1990 . 2 2 74 74 ASN HB3 H 1 2.857 0.02 . 2 . . . . 375 N HB2 . 15935 1 1991 . 2 2 74 74 ASN C C 13 172.987 0.3 . 1 . . . . 375 N C . 15935 1 1992 . 2 2 74 74 ASN CA C 13 52.077 0.3 . 1 . . . . 375 N CA . 15935 1 1993 . 2 2 74 74 ASN CB C 13 38.015 0.3 . 1 . . . . 375 N CB . 15935 1 1994 . 2 2 74 74 ASN N N 15 116.654 0.3 . 1 . . . . 375 N N . 15935 1 1995 . 2 2 75 75 ALA H H 1 7.231 0.02 . 1 . . . . 376 A HN . 15935 1 1996 . 2 2 75 75 ALA HA H 1 5.489 0.02 . 1 . . . . 376 A HA . 15935 1 1997 . 2 2 75 75 ALA HB1 H 1 1.043 0.02 . 1 . . . . 376 A HB1 . 15935 1 1998 . 2 2 75 75 ALA HB2 H 1 1.043 0.02 . 1 . . . . 376 A HB1 . 15935 1 1999 . 2 2 75 75 ALA HB3 H 1 1.043 0.02 . 1 . . . . 376 A HB1 . 15935 1 2000 . 2 2 75 75 ALA C C 13 176.356 0.3 . 1 . . . . 376 A C . 15935 1 2001 . 2 2 75 75 ALA CA C 13 49.891 0.3 . 1 . . . . 376 A CA . 15935 1 2002 . 2 2 75 75 ALA CB C 13 22.719 0.3 . 1 . . . . 376 A CB . 15935 1 2003 . 2 2 75 75 ALA N N 15 117.972 0.3 . 1 . . . . 376 A N . 15935 1 2004 . 2 2 76 76 ARG H H 1 8.805 0.02 . 1 . . . . 377 R HN . 15935 1 2005 . 2 2 76 76 ARG HA H 1 4.364 0.02 . 1 . . . . 377 R HA . 15935 1 2006 . 2 2 76 76 ARG HB2 H 1 1.778 0.02 . 2 . . . . 377 R HB1 . 15935 1 2007 . 2 2 76 76 ARG HB3 H 1 1.622 0.02 . 2 . . . . 377 R HB2 . 15935 1 2008 . 2 2 76 76 ARG HD2 H 1 3.206 0.02 . 2 . . . . 377 R HD1 . 15935 1 2009 . 2 2 76 76 ARG HD3 H 1 3.068 0.02 . 2 . . . . 377 R HD2 . 15935 1 2010 . 2 2 76 76 ARG HG2 H 1 1.457 0.02 . 2 . . . . 377 R HG1 . 15935 1 2011 . 2 2 76 76 ARG CA C 13 55.194 0.3 . 1 . . . . 377 R CA . 15935 1 2012 . 2 2 76 76 ARG CB C 13 33.385 0.3 . 1 . . . . 377 R CB . 15935 1 2013 . 2 2 76 76 ARG CD C 13 43.293 0.3 . 1 . . . . 377 R CD . 15935 1 2014 . 2 2 76 76 ARG CG C 13 27.603 0.3 . 1 . . . . 377 R CG . 15935 1 2015 . 2 2 76 76 ARG N N 15 123.438 0.3 . 1 . . . . 377 R N . 15935 1 2016 . 2 2 77 77 VAL H H 1 8.877 0.02 . 1 . . . . 378 V HN . 15935 1 2017 . 2 2 77 77 VAL HA H 1 5.124 0.02 . 1 . . . . 378 V HA . 15935 1 2018 . 2 2 77 77 VAL HB H 1 1.965 0.02 . 1 . . . . 378 V HB . 15935 1 2019 . 2 2 77 77 VAL HG11 H 1 0.902 0.02 . 2 . . . . 378 V HG11 . 15935 1 2020 . 2 2 77 77 VAL HG12 H 1 0.902 0.02 . 2 . . . . 378 V HG11 . 15935 1 2021 . 2 2 77 77 VAL HG13 H 1 0.902 0.02 . 2 . . . . 378 V HG11 . 15935 1 2022 . 2 2 77 77 VAL HG21 H 1 1.027 0.02 . 2 . . . . 378 V HG21 . 15935 1 2023 . 2 2 77 77 VAL HG22 H 1 1.027 0.02 . 2 . . . . 378 V HG21 . 15935 1 2024 . 2 2 77 77 VAL HG23 H 1 1.027 0.02 . 2 . . . . 378 V HG21 . 15935 1 2025 . 2 2 77 77 VAL CA C 13 61.008 0.3 . 1 . . . . 378 V CA . 15935 1 2026 . 2 2 77 77 VAL CB C 13 33.944 0.3 . 1 . . . . 378 V CB . 15935 1 2027 . 2 2 77 77 VAL CG1 C 13 21.132 0.3 . 2 . . . . 378 V CG1 . 15935 1 2028 . 2 2 77 77 VAL CG2 C 13 21.132 0.3 . 2 . . . . 378 V CG2 . 15935 1 2029 . 2 2 77 77 VAL N N 15 128.038 0.3 . 1 . . . . 378 V N . 15935 1 2030 . 2 2 78 78 ARG H H 1 8.969 0.02 . 1 . . . . 379 R HN . 15935 1 2031 . 2 2 78 78 ARG HA H 1 4.724 0.02 . 1 . . . . 379 R HA . 15935 1 2032 . 2 2 78 78 ARG HB2 H 1 1.775 0.02 . 2 . . . . 379 R HB1 . 15935 1 2033 . 2 2 78 78 ARG HB3 H 1 1.680 0.02 . 2 . . . . 379 R HB2 . 15935 1 2034 . 2 2 78 78 ARG HD2 H 1 3.223 0.02 . 2 . . . . 379 R HD1 . 15935 1 2035 . 2 2 78 78 ARG HD3 H 1 3.223 0.02 . 2 . . . . 379 R HD2 . 15935 1 2036 . 2 2 78 78 ARG HG2 H 1 1.570 0.02 . 2 . . . . 379 R HG1 . 15935 1 2037 . 2 2 78 78 ARG HG3 H 1 1.447 0.02 . 2 . . . . 379 R HG2 . 15935 1 2038 . 2 2 78 78 ARG CA C 13 54.250 0.3 . 1 . . . . 379 R CA . 15935 1 2039 . 2 2 78 78 ARG CB C 13 34.027 0.3 . 1 . . . . 379 R CB . 15935 1 2040 . 2 2 78 78 ARG CD C 13 43.324 0.3 . 1 . . . . 379 R CD . 15935 1 2041 . 2 2 78 78 ARG CG C 13 27.070 0.3 . 1 . . . . 379 R CG . 15935 1 2042 . 2 2 78 78 ARG N N 15 126.740 0.3 . 1 . . . . 379 R N . 15935 1 2043 . 2 2 79 79 LEU H H 1 8.416 0.02 . 1 . . . . 380 L HN . 15935 1 2044 . 2 2 79 79 LEU HA H 1 4.639 0.02 . 1 . . . . 380 L HA . 15935 1 2045 . 2 2 79 79 LEU HB2 H 1 1.582 0.02 . 2 . . . . 380 L HB1 . 15935 1 2046 . 2 2 79 79 LEU HB3 H 1 1.344 0.02 . 2 . . . . 380 L HB2 . 15935 1 2047 . 2 2 79 79 LEU HD11 H 1 0.495 0.02 . 2 . . . . 380 L HD11 . 15935 1 2048 . 2 2 79 79 LEU HD12 H 1 0.495 0.02 . 2 . . . . 380 L HD11 . 15935 1 2049 . 2 2 79 79 LEU HD13 H 1 0.495 0.02 . 2 . . . . 380 L HD11 . 15935 1 2050 . 2 2 79 79 LEU HD21 H 1 0.547 0.02 . 2 . . . . 380 L HD21 . 15935 1 2051 . 2 2 79 79 LEU HD22 H 1 0.547 0.02 . 2 . . . . 380 L HD21 . 15935 1 2052 . 2 2 79 79 LEU HD23 H 1 0.547 0.02 . 2 . . . . 380 L HD21 . 15935 1 2053 . 2 2 79 79 LEU HG H 1 1.199 0.02 . 1 . . . . 380 L HG . 15935 1 2054 . 2 2 79 79 LEU CA C 13 54.256 0.3 . 1 . . . . 380 L CA . 15935 1 2055 . 2 2 79 79 LEU CB C 13 42.703 0.3 . 1 . . . . 380 L CB . 15935 1 2056 . 2 2 79 79 LEU CD1 C 13 23.640 0.3 . 2 . . . . 380 L CD1 . 15935 1 2057 . 2 2 79 79 LEU CD2 C 13 24.883 0.3 . 2 . . . . 380 L CD2 . 15935 1 2058 . 2 2 79 79 LEU CG C 13 27.383 0.3 . 1 . . . . 380 L CG . 15935 1 2059 . 2 2 79 79 LEU N N 15 125.307 0.3 . 1 . . . . 380 L N . 15935 1 2060 . 2 2 80 80 ARG H H 1 8.757 0.02 . 1 . . . . 381 R HN . 15935 1 2061 . 2 2 80 80 ARG CB C 13 31.123 0.3 . 1 . . . . 381 R CB . 15935 1 2062 . 2 2 80 80 ARG N N 15 126.523 0.3 . 1 . . . . 381 R N . 15935 1 2063 . 2 2 85 85 PRO HA H 1 4.799 0.02 . 1 . . . . 386 P HA . 15935 1 2064 . 2 2 85 85 PRO HB2 H 1 2.211 0.02 . 2 . . . . 386 P HB1 . 15935 1 2065 . 2 2 85 85 PRO HB3 H 1 1.992 0.02 . 2 . . . . 386 P HB2 . 15935 1 2066 . 2 2 85 85 PRO HD2 H 1 3.787 0.02 . 2 . . . . 386 P HD1 . 15935 1 2067 . 2 2 85 85 PRO HD3 H 1 3.669 0.02 . 2 . . . . 386 P HD2 . 15935 1 2068 . 2 2 85 85 PRO HG2 H 1 1.910 0.02 . 2 . . . . 386 P HG1 . 15935 1 2069 . 2 2 85 85 PRO HG3 H 1 1.593 0.02 . 2 . . . . 386 P HG2 . 15935 1 2070 . 2 2 85 85 PRO C C 13 176.476 0.3 . 1 . . . . 386 P C . 15935 1 2071 . 2 2 85 85 PRO CA C 13 63.308 0.3 . 1 . . . . 386 P CA . 15935 1 2072 . 2 2 85 85 PRO CB C 13 32.075 0.3 . 1 . . . . 386 P CB . 15935 1 2073 . 2 2 85 85 PRO CD C 13 50.822 0.3 . 1 . . . . 386 P CD . 15935 1 2074 . 2 2 85 85 PRO CG C 13 27.385 0.3 . 1 . . . . 386 P CG . 15935 1 2075 . 2 2 86 86 HIS H H 1 8.509 0.02 . 1 . . . . 387 H HN . 15935 1 2076 . 2 2 86 86 HIS HA H 1 5.120 0.02 . 1 . . . . 387 H HA . 15935 1 2077 . 2 2 86 86 HIS HB2 H 1 3.148 0.02 . 2 . . . . 387 H HB1 . 15935 1 2078 . 2 2 86 86 HIS HB3 H 1 2.977 0.02 . 2 . . . . 387 H HB2 . 15935 1 2079 . 2 2 86 86 HIS HE1 H 1 7.789 0.02 . 1 . . . . 387 H HE1 . 15935 1 2080 . 2 2 86 86 HIS C C 13 172.668 0.3 . 1 . . . . 387 H C . 15935 1 2081 . 2 2 86 86 HIS CA C 13 55.513 0.3 . 1 . . . . 387 H CA . 15935 1 2082 . 2 2 86 86 HIS CB C 13 31.751 0.3 . 1 . . . . 387 H CB . 15935 1 2083 . 2 2 86 86 HIS CE1 C 13 139.684 0.3 . 1 . . . . 387 H CE1 . 15935 1 2084 . 2 2 86 86 HIS N N 15 119.070 0.3 . 1 . . . . 387 H N . 15935 1 2085 . 2 2 87 87 ILE H H 1 9.196 0.02 . 1 . . . . 388 I HN . 15935 1 2086 . 2 2 87 87 ILE HA H 1 4.051 0.02 . 1 . . . . 388 I HA . 15935 1 2087 . 2 2 87 87 ILE HB H 1 1.741 0.02 . 1 . . . . 388 I HB . 15935 1 2088 . 2 2 87 87 ILE HD11 H 1 1.063 0.02 . 1 . . . . 388 I HD11 . 15935 1 2089 . 2 2 87 87 ILE HD12 H 1 1.063 0.02 . 1 . . . . 388 I HD11 . 15935 1 2090 . 2 2 87 87 ILE HD13 H 1 1.063 0.02 . 1 . . . . 388 I HD11 . 15935 1 2091 . 2 2 87 87 ILE HG12 H 1 1.544 0.02 . 2 . . . . 388 I HG11 . 15935 1 2092 . 2 2 87 87 ILE HG13 H 1 1.433 0.02 . 2 . . . . 388 I HG12 . 15935 1 2093 . 2 2 87 87 ILE HG21 H 1 0.835 0.02 . 1 . . . . 388 I HG21 . 15935 1 2094 . 2 2 87 87 ILE HG22 H 1 0.835 0.02 . 1 . . . . 388 I HG21 . 15935 1 2095 . 2 2 87 87 ILE HG23 H 1 0.835 0.02 . 1 . . . . 388 I HG21 . 15935 1 2096 . 2 2 87 87 ILE C C 13 178.781 0.3 . 1 . . . . 388 I C . 15935 1 2097 . 2 2 87 87 ILE CA C 13 59.886 0.3 . 1 . . . . 388 I CA . 15935 1 2098 . 2 2 87 87 ILE CB C 13 40.197 0.3 . 1 . . . . 388 I CB . 15935 1 2099 . 2 2 87 87 ILE CG1 C 13 25.199 0.3 . 1 . . . . 388 I CG1 . 15935 1 2100 . 2 2 87 87 ILE CG2 C 13 18.004 0.3 . 1 . . . . 388 I CG2 . 15935 1 2101 . 2 2 87 87 ILE N N 15 121.041 0.3 . 1 . . . . 388 I N . 15935 1 2102 . 2 2 88 88 VAL H H 1 8.835 0.02 . 1 . . . . 389 V HN . 15935 1 2103 . 2 2 88 88 VAL HA H 1 4.796 0.02 . 1 . . . . 389 V HA . 15935 1 2104 . 2 2 88 88 VAL HB H 1 1.966 0.02 . 1 . . . . 389 V HB . 15935 1 2105 . 2 2 88 88 VAL HG11 H 1 0.952 0.02 . 2 . . . . 389 V HG11 . 15935 1 2106 . 2 2 88 88 VAL HG12 H 1 0.952 0.02 . 2 . . . . 389 V HG11 . 15935 1 2107 . 2 2 88 88 VAL HG13 H 1 0.952 0.02 . 2 . . . . 389 V HG11 . 15935 1 2108 . 2 2 88 88 VAL HG21 H 1 0.843 0.02 . 2 . . . . 389 V HG21 . 15935 1 2109 . 2 2 88 88 VAL HG22 H 1 0.843 0.02 . 2 . . . . 389 V HG21 . 15935 1 2110 . 2 2 88 88 VAL HG23 H 1 0.843 0.02 . 2 . . . . 389 V HG21 . 15935 1 2111 . 2 2 88 88 VAL C C 13 175.081 0.3 . 1 . . . . 389 V C . 15935 1 2112 . 2 2 88 88 VAL CA C 13 60.831 0.3 . 1 . . . . 389 V CA . 15935 1 2113 . 2 2 88 88 VAL CB C 13 33.762 0.3 . 1 . . . . 389 V CB . 15935 1 2114 . 2 2 88 88 VAL CG1 C 13 22.147 0.3 . 2 . . . . 389 V CG1 . 15935 1 2115 . 2 2 88 88 VAL CG2 C 13 21.132 0.3 . 2 . . . . 389 V CG2 . 15935 1 2116 . 2 2 88 88 VAL N N 15 117.979 0.3 . 1 . . . . 389 V N . 15935 1 2117 . 2 2 89 89 VAL H H 1 9.288 0.02 . 1 . . . . 390 V HN . 15935 1 2118 . 2 2 89 89 VAL HA H 1 4.726 0.02 . 1 . . . . 390 V HA . 15935 1 2119 . 2 2 89 89 VAL HB H 1 2.193 0.02 . 1 . . . . 390 V HB . 15935 1 2120 . 2 2 89 89 VAL HG11 H 1 0.835 0.02 . 2 . . . . 390 V HG11 . 15935 1 2121 . 2 2 89 89 VAL HG12 H 1 0.835 0.02 . 2 . . . . 390 V HG11 . 15935 1 2122 . 2 2 89 89 VAL HG13 H 1 0.835 0.02 . 2 . . . . 390 V HG11 . 15935 1 2123 . 2 2 89 89 VAL HG21 H 1 1.058 0.02 . 2 . . . . 390 V HG21 . 15935 1 2124 . 2 2 89 89 VAL HG22 H 1 1.058 0.02 . 2 . . . . 390 V HG21 . 15935 1 2125 . 2 2 89 89 VAL HG23 H 1 1.058 0.02 . 2 . . . . 390 V HG21 . 15935 1 2126 . 2 2 89 89 VAL C C 13 175.081 0.3 . 1 . . . . 390 V C . 15935 1 2127 . 2 2 89 89 VAL CA C 13 60.827 0.3 . 1 . . . . 390 V CA . 15935 1 2128 . 2 2 89 89 VAL CB C 13 33.945 0.3 . 1 . . . . 390 V CB . 15935 1 2129 . 2 2 89 89 VAL CG1 C 13 25.595 0.3 . 2 . . . . 390 V CG1 . 15935 1 2130 . 2 2 89 89 VAL CG2 C 13 21.445 0.3 . 2 . . . . 390 V CG2 . 15935 1 2131 . 2 2 89 89 VAL N N 15 128.474 0.3 . 1 . . . . 390 V N . 15935 1 2132 . 2 2 90 90 LYS H H 1 8.988 0.02 . 1 . . . . 391 K HN . 15935 1 2133 . 2 2 90 90 LYS HA H 1 5.124 0.02 . 1 . . . . 391 K HA . 15935 1 2134 . 2 2 90 90 LYS HB2 H 1 1.753 0.02 . 2 . . . . 391 K HB1 . 15935 1 2135 . 2 2 90 90 LYS HB3 H 1 1.499 0.02 . 2 . . . . 391 K HB2 . 15935 1 2136 . 2 2 90 90 LYS HD2 H 1 1.566 0.02 . 2 . . . . 391 K HD1 . 15935 1 2137 . 2 2 90 90 LYS HD3 H 1 1.477 0.02 . 2 . . . . 391 K HD2 . 15935 1 2138 . 2 2 90 90 LYS HE2 H 1 2.953 0.02 . 2 . . . . 391 K HE1 . 15935 1 2139 . 2 2 90 90 LYS HE3 H 1 2.905 0.02 . 2 . . . . 391 K HE2 . 15935 1 2140 . 2 2 90 90 LYS HG2 H 1 0.902 0.02 . 2 . . . . 391 K HG1 . 15935 1 2141 . 2 2 90 90 LYS HG3 H 1 0.934 0.02 . 2 . . . . 391 K HG2 . 15935 1 2142 . 2 2 90 90 LYS C C 13 175.430 0.3 . 1 . . . . 391 K C . 15935 1 2143 . 2 2 90 90 LYS CA C 13 53.644 0.3 . 1 . . . . 391 K CA . 15935 1 2144 . 2 2 90 90 LYS CB C 13 36.132 0.3 . 1 . . . . 391 K CB . 15935 1 2145 . 2 2 90 90 LYS CD C 13 29.888 0.3 . 1 . . . . 391 K CD . 15935 1 2146 . 2 2 90 90 LYS CE C 13 42.651 0.3 . 1 . . . . 391 K CE . 15935 1 2147 . 2 2 90 90 LYS CG C 13 24.885 0.3 . 1 . . . . 391 K CG . 15935 1 2148 . 2 2 90 90 LYS N N 15 128.694 0.3 . 1 . . . . 391 K N . 15935 1 2149 . 2 2 91 91 CYS H H 1 9.012 0.02 . 1 . . . . 392 C HN . 15935 1 2150 . 2 2 91 91 CYS HA H 1 4.363 0.02 . 1 . . . . 392 C HA . 15935 1 2151 . 2 2 91 91 CYS HB2 H 1 3.428 0.02 . 2 . . . . 392 C HB1 . 15935 1 2152 . 2 2 91 91 CYS HB3 H 1 2.856 0.02 . 2 . . . . 392 C HB2 . 15935 1 2153 . 2 2 91 91 CYS C C 13 177.370 0.3 . 1 . . . . 392 C C . 15935 1 2154 . 2 2 91 91 CYS CA C 13 59.262 0.3 . 1 . . . . 392 C CA . 15935 1 2155 . 2 2 91 91 CYS CB C 13 32.069 0.3 . 1 . . . . 392 C CB . 15935 1 2156 . 2 2 91 91 CYS N N 15 130.446 0.3 . 1 . . . . 392 C N . 15935 1 2157 . 2 2 92 92 LEU H H 1 8.874 0.02 . 1 . . . . 393 L HN . 15935 1 2158 . 2 2 92 92 LEU HA H 1 4.434 0.02 . 1 . . . . 393 L HA . 15935 1 2159 . 2 2 92 92 LEU HB2 H 1 1.687 0.02 . 2 . . . . 393 L HB1 . 15935 1 2160 . 2 2 92 92 LEU HB3 H 1 1.514 0.02 . 2 . . . . 393 L HB2 . 15935 1 2161 . 2 2 92 92 LEU HD11 H 1 0.773 0.02 . 2 . . . . 393 L HD11 . 15935 1 2162 . 2 2 92 92 LEU HD12 H 1 0.773 0.02 . 2 . . . . 393 L HD11 . 15935 1 2163 . 2 2 92 92 LEU HD13 H 1 0.773 0.02 . 2 . . . . 393 L HD11 . 15935 1 2164 . 2 2 92 92 LEU HD21 H 1 0.735 0.02 . 2 . . . . 393 L HD21 . 15935 1 2165 . 2 2 92 92 LEU HD22 H 1 0.735 0.02 . 2 . . . . 393 L HD21 . 15935 1 2166 . 2 2 92 92 LEU HD23 H 1 0.735 0.02 . 2 . . . . 393 L HD21 . 15935 1 2167 . 2 2 92 92 LEU HG H 1 1.575 0.02 . 1 . . . . 393 L HG . 15935 1 2168 . 2 2 92 92 LEU C C 13 178.100 0.3 . 1 . . . . 393 L C . 15935 1 2169 . 2 2 92 92 LEU CA C 13 54.952 0.3 . 1 . . . . 393 L CA . 15935 1 2170 . 2 2 92 92 LEU CB C 13 40.194 0.3 . 1 . . . . 393 L CB . 15935 1 2171 . 2 2 92 92 LEU CD1 C 13 24.887 0.3 . 2 . . . . 393 L CD1 . 15935 1 2172 . 2 2 92 92 LEU CD2 C 13 21.752 0.3 . 2 . . . . 393 L CD2 . 15935 1 2173 . 2 2 92 92 LEU CG C 13 27.163 0.3 . 1 . . . . 393 L CG . 15935 1 2174 . 2 2 92 92 LEU N N 15 128.033 0.3 . 1 . . . . 393 L N . 15935 1 2175 . 2 2 93 93 GLU H H 1 9.430 0.02 . 1 . . . . 394 E HN . 15935 1 2176 . 2 2 93 93 GLU HA H 1 4.426 0.02 . 1 . . . . 394 E HA . 15935 1 2177 . 2 2 93 93 GLU HB2 H 1 2.051 0.02 . 2 . . . . 394 E HB1 . 15935 1 2178 . 2 2 93 93 GLU HB3 H 1 1.949 0.02 . 2 . . . . 394 E HB2 . 15935 1 2179 . 2 2 93 93 GLU HG2 H 1 2.422 0.02 . 2 . . . . 394 E HG1 . 15935 1 2180 . 2 2 93 93 GLU HG3 H 1 2.384 0.02 . 2 . . . . 394 E HG2 . 15935 1 2181 . 2 2 93 93 GLU C C 13 178.512 0.3 . 1 . . . . 394 E C . 15935 1 2182 . 2 2 93 93 GLU CA C 13 59.545 0.3 . 1 . . . . 394 E CA . 15935 1 2183 . 2 2 93 93 GLU CB C 13 29.567 0.3 . 1 . . . . 394 E CB . 15935 1 2184 . 2 2 93 93 GLU CG C 13 36.141 0.3 . 1 . . . . 394 E CG . 15935 1 2185 . 2 2 93 93 GLU N N 15 123.444 0.3 . 1 . . . . 394 E N . 15935 1 2186 . 2 2 94 94 CYS H H 1 9.078 0.02 . 1 . . . . 395 C HN . 15935 1 2187 . 2 2 94 94 CYS HA H 1 5.093 0.02 . 1 . . . . 395 C HA . 15935 1 2188 . 2 2 94 94 CYS HB2 H 1 3.254 0.02 . 2 . . . . 395 C HB1 . 15935 1 2189 . 2 2 94 94 CYS HB3 H 1 2.561 0.02 . 2 . . . . 395 C HB2 . 15935 1 2190 . 2 2 94 94 CYS C C 13 177.009 0.3 . 1 . . . . 395 C C . 15935 1 2191 . 2 2 94 94 CYS CA C 13 58.550 0.3 . 1 . . . . 395 C CA . 15935 1 2192 . 2 2 94 94 CYS CB C 13 33.023 0.3 . 1 . . . . 395 C CB . 15935 1 2193 . 2 2 94 94 CYS N N 15 119.720 0.3 . 1 . . . . 395 C N . 15935 1 2194 . 2 2 95 95 GLY H H 1 7.955 0.02 . 1 . . . . 396 G HN . 15935 1 2195 . 2 2 95 95 GLY HA2 H 1 4.402 0.02 . 2 . . . . 396 G HA1 . 15935 1 2196 . 2 2 95 95 GLY HA3 H 1 3.816 0.02 . 2 . . . . 396 G HA2 . 15935 1 2197 . 2 2 95 95 GLY C C 13 174.189 0.3 . 1 . . . . 396 G C . 15935 1 2198 . 2 2 95 95 GLY CA C 13 46.012 0.3 . 1 . . . . 396 G CA . 15935 1 2199 . 2 2 95 95 GLY N N 15 115.572 0.3 . 1 . . . . 396 G N . 15935 1 2200 . 2 2 96 96 HIS H H 1 9.271 0.02 . 1 . . . . 397 H HN . 15935 1 2201 . 2 2 96 96 HIS HA H 1 4.488 0.02 . 1 . . . . 397 H HA . 15935 1 2202 . 2 2 96 96 HIS HB2 H 1 3.329 0.02 . 2 . . . . 397 H HB1 . 15935 1 2203 . 2 2 96 96 HIS HB3 H 1 3.285 0.02 . 2 . . . . 397 H HB2 . 15935 1 2204 . 2 2 96 96 HIS HE1 H 1 7.671 0.02 . 1 . . . . 397 H HE1 . 15935 1 2205 . 2 2 96 96 HIS C C 13 173.335 0.3 . 1 . . . . 397 H C . 15935 1 2206 . 2 2 96 96 HIS CA C 13 58.013 0.3 . 1 . . . . 397 H CA . 15935 1 2207 . 2 2 96 96 HIS CB C 13 32.375 0.3 . 1 . . . . 397 H CB . 15935 1 2208 . 2 2 96 96 HIS CE1 C 13 138.822 0.3 . 1 . . . . 397 H CE1 . 15935 1 2209 . 2 2 96 96 HIS N N 15 125.850 0.3 . 1 . . . . 397 H N . 15935 1 2210 . 2 2 97 97 ILE H H 1 6.851 0.02 . 1 . . . . 398 I HN . 15935 1 2211 . 2 2 97 97 ILE HA H 1 4.709 0.02 . 1 . . . . 398 I HA . 15935 1 2212 . 2 2 97 97 ILE HB H 1 1.521 0.02 . 1 . . . . 398 I HB . 15935 1 2213 . 2 2 97 97 ILE HD11 H 1 0.772 0.02 . 1 . . . . 398 I HD11 . 15935 1 2214 . 2 2 97 97 ILE HD12 H 1 0.772 0.02 . 1 . . . . 398 I HD11 . 15935 1 2215 . 2 2 97 97 ILE HD13 H 1 0.772 0.02 . 1 . . . . 398 I HD11 . 15935 1 2216 . 2 2 97 97 ILE HG12 H 1 0.901 0.02 . 2 . . . . 398 I HG11 . 15935 1 2217 . 2 2 97 97 ILE HG13 H 1 0.901 0.02 . 2 . . . . 398 I HG12 . 15935 1 2218 . 2 2 97 97 ILE HG21 H 1 0.681 0.02 . 1 . . . . 398 I HG21 . 15935 1 2219 . 2 2 97 97 ILE HG22 H 1 0.681 0.02 . 1 . . . . 398 I HG21 . 15935 1 2220 . 2 2 97 97 ILE HG23 H 1 0.681 0.02 . 1 . . . . 398 I HG21 . 15935 1 2221 . 2 2 97 97 ILE C C 13 175.133 0.3 . 1 . . . . 398 I C . 15935 1 2222 . 2 2 97 97 ILE CA C 13 59.573 0.3 . 1 . . . . 398 I CA . 15935 1 2223 . 2 2 97 97 ILE CB C 13 39.885 0.3 . 1 . . . . 398 I CB . 15935 1 2224 . 2 2 97 97 ILE CD1 C 13 13.009 0.3 . 1 . . . . 398 I CD1 . 15935 1 2225 . 2 2 97 97 ILE CG1 C 13 27.699 0.3 . 1 . . . . 398 I CG1 . 15935 1 2226 . 2 2 97 97 ILE CG2 C 13 18.008 0.3 . 1 . . . . 398 I CG2 . 15935 1 2227 . 2 2 97 97 ILE N N 15 124.103 0.3 . 1 . . . . 398 I N . 15935 1 2228 . 2 2 98 98 MET H H 1 9.008 0.02 . 1 . . . . 399 M HN . 15935 1 2229 . 2 2 98 98 MET HA H 1 4.204 0.02 . 1 . . . . 399 M HA . 15935 1 2230 . 2 2 98 98 MET HB2 H 1 2.755 0.02 . 2 . . . . 399 M HB1 . 15935 1 2231 . 2 2 98 98 MET HB3 H 1 1.883 0.02 . 2 . . . . 399 M HB2 . 15935 1 2232 . 2 2 98 98 MET HG2 H 1 2.786 0.02 . 2 . . . . 399 M HG1 . 15935 1 2233 . 2 2 98 98 MET HG3 H 1 2.501 0.02 . 2 . . . . 399 M HG2 . 15935 1 2234 . 2 2 98 98 MET C C 13 173.214 0.3 . 1 . . . . 399 M C . 15935 1 2235 . 2 2 98 98 MET CA C 13 53.947 0.3 . 1 . . . . 399 M CA . 15935 1 2236 . 2 2 98 98 MET CB C 13 37.386 0.3 . 1 . . . . 399 M CB . 15935 1 2237 . 2 2 98 98 MET CG C 13 32.080 0.3 . 1 . . . . 399 M CG . 15935 1 2238 . 2 2 98 98 MET N N 15 126.938 0.3 . 1 . . . . 399 M N . 15935 1 2239 . 2 2 99 99 ARG H H 1 7.875 0.02 . 1 . . . . 400 R HN . 15935 1 2240 . 2 2 99 99 ARG HA H 1 5.342 0.02 . 1 . . . . 400 R HA . 15935 1 2241 . 2 2 99 99 ARG HB2 H 1 1.457 0.02 . 2 . . . . 400 R HB1 . 15935 1 2242 . 2 2 99 99 ARG HB3 H 1 1.389 0.02 . 2 . . . . 400 R HB2 . 15935 1 2243 . 2 2 99 99 ARG HD2 H 1 2.905 0.02 . 2 . . . . 400 R HD1 . 15935 1 2244 . 2 2 99 99 ARG HD3 H 1 2.837 0.02 . 2 . . . . 400 R HD2 . 15935 1 2245 . 2 2 99 99 ARG HG2 H 1 1.700 0.02 . 2 . . . . 400 R HG1 . 15935 1 2246 . 2 2 99 99 ARG HG3 H 1 1.382 0.02 . 2 . . . . 400 R HG2 . 15935 1 2247 . 2 2 99 99 ARG C C 13 175.275 0.3 . 1 . . . . 400 R C . 15935 1 2248 . 2 2 99 99 ARG CA C 13 54.260 0.3 . 1 . . . . 400 R CA . 15935 1 2249 . 2 2 99 99 ARG CB C 13 33.160 0.3 . 1 . . . . 400 R CB . 15935 1 2250 . 2 2 99 99 ARG CD C 13 43.010 0.3 . 1 . . . . 400 R CD . 15935 1 2251 . 2 2 99 99 ARG CG C 13 28.007 0.3 . 1 . . . . 400 R CG . 15935 1 2252 . 2 2 99 99 ARG N N 15 120.606 0.3 . 1 . . . . 400 R N . 15935 1 2253 . 2 2 100 100 TYR H H 1 9.081 0.02 . 1 . . . . 401 Y HN . 15935 1 2254 . 2 2 100 100 TYR HA H 1 5.113 0.02 . 1 . . . . 401 Y HA . 15935 1 2255 . 2 2 100 100 TYR HB2 H 1 3.180 0.02 . 2 . . . . 401 Y HB1 . 15935 1 2256 . 2 2 100 100 TYR HB3 H 1 2.562 0.02 . 2 . . . . 401 Y HB2 . 15935 1 2257 . 2 2 100 100 TYR HD1 H 1 7.033 0.02 . 3 . . . . 401 Y HD1 . 15935 1 2258 . 2 2 100 100 TYR HD2 H 1 7.033 0.02 . 3 . . . . 401 Y HD2 . 15935 1 2259 . 2 2 100 100 TYR CA C 13 54.887 0.3 . 1 . . . . 401 Y CA . 15935 1 2260 . 2 2 100 100 TYR CB C 13 40.510 0.3 . 1 . . . . 401 Y CB . 15935 1 2261 . 2 2 100 100 TYR N N 15 121.701 0.3 . 1 . . . . 401 Y N . 15935 1 2262 . 2 2 101 101 PRO HA H 1 4.499 0.02 . 1 . . . . 402 P HA . 15935 1 2263 . 2 2 101 101 PRO HB2 H 1 2.370 0.02 . 2 . . . . 402 P HB1 . 15935 1 2264 . 2 2 101 101 PRO HB3 H 1 1.885 0.02 . 2 . . . . 402 P HB2 . 15935 1 2265 . 2 2 101 101 PRO HD2 H 1 3.941 0.02 . 2 . . . . 402 P HD1 . 15935 1 2266 . 2 2 101 101 PRO HD3 H 1 3.670 0.02 . 2 . . . . 402 P HD2 . 15935 1 2267 . 2 2 101 101 PRO HG2 H 1 2.147 0.02 . 2 . . . . 402 P HG1 . 15935 1 2268 . 2 2 101 101 PRO HG3 H 1 2.079 0.02 . 2 . . . . 402 P HG2 . 15935 1 2269 . 2 2 101 101 PRO C C 13 175.765 0.3 . 1 . . . . 402 P C . 15935 1 2270 . 2 2 101 101 PRO CA C 13 63.017 0.3 . 1 . . . . 402 P CA . 15935 1 2271 . 2 2 101 101 PRO CB C 13 32.201 0.3 . 1 . . . . 402 P CB . 15935 1 2272 . 2 2 101 101 PRO CD C 13 50.822 0.3 . 1 . . . . 402 P CD . 15935 1 2273 . 2 2 101 101 PRO CG C 13 27.779 0.3 . 1 . . . . 402 P CG . 15935 1 2274 . 2 2 102 102 TYR H H 1 8.095 0.02 . 1 . . . . 403 Y HN . 15935 1 2275 . 2 2 102 102 TYR HA H 1 4.682 0.02 . 1 . . . . 403 Y HA . 15935 1 2276 . 2 2 102 102 TYR HB2 H 1 2.899 0.02 . 2 . . . . 403 Y HB1 . 15935 1 2277 . 2 2 102 102 TYR HB3 H 1 2.706 0.02 . 2 . . . . 403 Y HB2 . 15935 1 2278 . 2 2 102 102 TYR HD1 H 1 6.945 0.02 . 3 . . . . 403 Y HD1 . 15935 1 2279 . 2 2 102 102 TYR HE1 H 1 6.719 0.02 . 3 . . . . 403 Y HE1 . 15935 1 2280 . 2 2 102 102 TYR HE2 H 1 6.719 0.02 . 3 . . . . 403 Y HE2 . 15935 1 2281 . 2 2 102 102 TYR C C 13 173.954 0.3 . 1 . . . . 403 Y C . 15935 1 2282 . 2 2 102 102 TYR CA C 13 56.913 0.3 . 1 . . . . 403 Y CA . 15935 1 2283 . 2 2 102 102 TYR CB C 13 39.578 0.3 . 1 . . . . 403 Y CB . 15935 1 2284 . 2 2 102 102 TYR CD1 C 13 132.782 0.3 . 3 . . . . 403 Y CD1 . 15935 1 2285 . 2 2 102 102 TYR CE1 C 13 117.866 0.3 . 3 . . . . 403 Y CE1 . 15935 1 2286 . 2 2 102 102 TYR CE2 C 13 117.866 0.3 . 3 . . . . 403 Y CE2 . 15935 1 2287 . 2 2 102 102 TYR N N 15 123.445 0.3 . 1 . . . . 403 Y N . 15935 1 2288 . 2 2 103 103 ILE H H 1 7.549 0.02 . 1 . . . . 404 I HN . 15935 1 2289 . 2 2 103 103 ILE CA C 13 60.137 0.3 . 1 . . . . 404 I CA . 15935 1 2290 . 2 2 103 103 ILE CB C 13 39.299 0.3 . 1 . . . . 404 I CB . 15935 1 2291 . 2 2 103 103 ILE N N 15 126.726 0.3 . 1 . . . . 404 I N . 15935 1 2292 . 2 2 118 118 GLY HA2 H 1 3.930 0.02 . 2 . . . . 419 G HA1 . 15935 1 2293 . 2 2 119 119 LEU H H 1 7.872 0.02 . 1 . . . . 420 L HN . 15935 1 2294 . 2 2 119 119 LEU HA H 1 4.345 0.02 . 1 . . . . 420 L HA . 15935 1 2295 . 2 2 119 119 LEU HB2 H 1 1.651 0.02 . 2 . . . . 420 L HB1 . 15935 1 2296 . 2 2 119 119 LEU HB3 H 1 1.595 0.02 . 2 . . . . 420 L HB2 . 15935 1 2297 . 2 2 119 119 LEU HD11 H 1 1.005 0.02 . 2 . . . . 420 L HD11 . 15935 1 2298 . 2 2 119 119 LEU HD12 H 1 1.005 0.02 . 2 . . . . 420 L HD11 . 15935 1 2299 . 2 2 119 119 LEU HD13 H 1 1.005 0.02 . 2 . . . . 420 L HD11 . 15935 1 2300 . 2 2 119 119 LEU HD21 H 1 0.880 0.02 . 2 . . . . 420 L HD21 . 15935 1 2301 . 2 2 119 119 LEU HD22 H 1 0.880 0.02 . 2 . . . . 420 L HD21 . 15935 1 2302 . 2 2 119 119 LEU HD23 H 1 0.880 0.02 . 2 . . . . 420 L HD21 . 15935 1 2303 . 2 2 119 119 LEU HG H 1 1.484 0.02 . 1 . . . . 420 L HG . 15935 1 2304 . 2 2 119 119 LEU CA C 13 56.134 0.3 . 1 . . . . 420 L CA . 15935 1 2305 . 2 2 119 119 LEU CB C 13 42.386 0.3 . 1 . . . . 420 L CB . 15935 1 2306 . 2 2 119 119 LEU CD1 C 13 24.259 0.3 . 2 . . . . 420 L CD1 . 15935 1 2307 . 2 2 119 119 LEU CD2 C 13 25.267 0.3 . 2 . . . . 420 L CD2 . 15935 1 2308 . 2 2 119 119 LEU CG C 13 27.251 0.3 . 1 . . . . 420 L CG . 15935 1 2309 . 2 2 119 119 LEU N N 15 122.133 0.3 . 1 . . . . 420 L N . 15935 1 2310 . 2 2 120 120 VAL H H 1 7.590 0.02 . 1 . . . . 421 V HN . 15935 1 2311 . 2 2 120 120 VAL N N 15 118.310 0.3 . 1 . . . . 421 V N . 15935 1 2312 . 2 2 121 121 PRO HA H 1 4.406 0.02 . 1 . . . . 422 P HA . 15935 1 2313 . 2 2 121 121 PRO HB2 H 1 2.202 0.02 . 2 . . . . 422 P HB1 . 15935 1 2314 . 2 2 121 121 PRO HB3 H 1 1.959 0.02 . 2 . . . . 422 P HB2 . 15935 1 2315 . 2 2 121 121 PRO HD2 H 1 3.825 0.02 . 2 . . . . 422 P HD1 . 15935 1 2316 . 2 2 121 121 PRO HD3 H 1 3.669 0.02 . 2 . . . . 422 P HD2 . 15935 1 2317 . 2 2 121 121 PRO HG2 H 1 1.622 0.02 . 2 . . . . 422 P HG1 . 15935 1 2318 . 2 2 121 121 PRO HG3 H 1 1.564 0.02 . 2 . . . . 422 P HG2 . 15935 1 2319 . 2 2 121 121 PRO CA C 13 63.325 0.3 . 1 . . . . 422 P CA . 15935 1 2320 . 2 2 121 121 PRO CB C 13 31.957 0.3 . 1 . . . . 422 P CB . 15935 1 2321 . 2 2 121 121 PRO CD C 13 50.821 0.3 . 1 . . . . 422 P CD . 15935 1 2322 . 2 2 121 121 PRO CG C 13 27.339 0.3 . 1 . . . . 422 P CG . 15935 1 2323 . 2 2 122 122 ARG H H 1 7.728 0.02 . 1 . . . . 423 R HN . 15935 1 2324 . 2 2 122 122 ARG CA C 13 57.429 0.3 . 1 . . . . 423 R CA . 15935 1 2325 . 2 2 122 122 ARG CB C 13 31.902 0.3 . 1 . . . . 423 R CB . 15935 1 2326 . 2 2 122 122 ARG N N 15 126.725 0.3 . 1 . . . . 423 R N . 15935 1 stop_ save_