data_7025 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7025 _Entry.Title ; 1H, 13C, and 15N Resonance Assignments of the VAP-A: OSBP Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-21 _Entry.Accession_date 2006-03-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kyoko Furuita . . . 7025 2 Masaki Mishima . . . 7025 3 Chojiro Kojima . . . 7025 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7025 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 652 7025 '15N chemical shifts' 160 7025 '1H chemical shifts' 1097 7025 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-09 2006-03-21 update BMRB 'complete entry citation' 7025 1 . . 2006-10-02 2006-03-21 original author 'original release' 7025 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 7025 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17031525 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N Resonance Assignments of the VAP-A:OSBP Complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 69 _Citation.Page_last 69 _Citation.Year 2006 _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 Kyoko Furuita . . . 7025 1 2 Masaki Mishima . . . 7025 1 3 Chojiro Kojima . . . 7025 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7025 _Assembly.ID 1 _Assembly.Name 'VAP-A:OSBP Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-protein complex' 7025 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'vesicle-associated membrane protein-associated protein-A' 1 $VAP-A . . yes native no yes . . . 7025 1 2 'oxisterol-binding protein' 2 $OSBP . . yes native no yes . . . 7025 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VAP-A _Entity.Sf_category entity _Entity.Sf_framecode VAP-A _Entity.Entry_ID 7025 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'vesicle-associated membrane protein-associated protein-A' _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 ; GPLGSDHEQILVLDPPTDLK FKGPFTDVVTTNLKLRNPSD RKVCFKVKTTAPRRYCVRPN SGIIDPGSTVTVSVMLQPFD YDPNEKSKHKFMVQTIFAPP NTSDMEAVWKEAKPDELMDS KLRCVFEMPNE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'seq_code (-2)-128' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14812.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RR3 . "Solution Structure Of The Complex Between Human Vap-A Msp Domain And Human Osbp Ffat Motif" . . . . . 97.92 47 100.00 100.00 1.52e-24 . . . . 7025 1 2 no DBJ BAD90226 . "mKIAA4220 protein [Mus musculus]" . . . . . 72.92 516 97.14 100.00 1.45e-13 . . . . 7025 1 3 no DBJ BAE21289 . "unnamed protein product [Mus musculus]" . . . . . 72.92 537 97.14 100.00 1.43e-13 . . . . 7025 1 4 no GB AAA31427 . "oxysterol-binding protein [Oryctolagus cuniculus]" . . . . . 72.92 809 97.14 100.00 8.10e-14 . . . . 7025 1 5 no GB AAA59973 . "oxysterol-binding protein [Homo sapiens]" . . . . . 72.92 807 97.14 100.00 6.41e-14 . . . . 7025 1 6 no GB AAG17011 . "oxysterol-binding protein 1 [Homo sapiens]" . . . . . 72.92 807 97.14 100.00 6.41e-14 . . . . 7025 1 7 no GB AAG28373 . "oxysterol binding protein 1 [Homo sapiens]" . . . . . 72.92 807 97.14 100.00 6.41e-14 . . . . 7025 1 8 no GB AAH11581 . "Oxysterol binding protein [Homo sapiens]" . . . . . 72.92 807 97.14 100.00 6.41e-14 . . . . 7025 1 9 no REF NP_001028346 . "oxysterol-binding protein 1 [Mus musculus]" . . . . . 72.92 805 97.14 100.00 1.04e-13 . . . . 7025 1 10 no REF NP_001075702 . "oxysterol-binding protein 1 [Oryctolagus cuniculus]" . . . . . 72.92 809 97.14 100.00 8.10e-14 . . . . 7025 1 11 no REF NP_001102397 . "oxysterol-binding protein 1 [Rattus norvegicus]" . . . . . 72.92 682 97.14 100.00 1.21e-13 . . . . 7025 1 12 no REF NP_001253105 . "oxysterol-binding protein 1 [Macaca mulatta]" . . . . . 72.92 805 97.14 100.00 6.40e-14 . . . . 7025 1 13 no REF NP_002547 . "oxysterol-binding protein 1 [Homo sapiens]" . . . . . 72.92 807 97.14 100.00 6.41e-14 . . . . 7025 1 14 no SP P16258 . "RecName: Full=Oxysterol-binding protein 1 [Oryctolagus cuniculus]" . . . . . 72.92 809 97.14 100.00 8.10e-14 . . . . 7025 1 15 no SP P22059 . "RecName: Full=Oxysterol-binding protein 1 [Homo sapiens]" . . . . . 72.92 807 97.14 100.00 6.41e-14 . . . . 7025 1 16 no SP Q3B7Z2 . "RecName: Full=Oxysterol-binding protein 1 [Mus musculus]" . . . . . 72.92 805 97.14 100.00 1.04e-13 . . . . 7025 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 -2 GLY . 7025 1 2 -1 PRO . 7025 1 3 0 LEU . 7025 1 4 1 GLY . 7025 1 5 2 SER . 7025 1 6 3 ASP . 7025 1 7 4 HIS . 7025 1 8 5 GLU . 7025 1 9 6 GLN . 7025 1 10 7 ILE . 7025 1 11 8 LEU . 7025 1 12 9 VAL . 7025 1 13 10 LEU . 7025 1 14 11 ASP . 7025 1 15 12 PRO . 7025 1 16 13 PRO . 7025 1 17 14 THR . 7025 1 18 15 ASP . 7025 1 19 16 LEU . 7025 1 20 17 LYS . 7025 1 21 18 PHE . 7025 1 22 19 LYS . 7025 1 23 20 GLY . 7025 1 24 21 PRO . 7025 1 25 22 PHE . 7025 1 26 23 THR . 7025 1 27 24 ASP . 7025 1 28 25 VAL . 7025 1 29 26 VAL . 7025 1 30 27 THR . 7025 1 31 28 THR . 7025 1 32 29 ASN . 7025 1 33 30 LEU . 7025 1 34 31 LYS . 7025 1 35 32 LEU . 7025 1 36 33 ARG . 7025 1 37 34 ASN . 7025 1 38 35 PRO . 7025 1 39 36 SER . 7025 1 40 37 ASP . 7025 1 41 38 ARG . 7025 1 42 39 LYS . 7025 1 43 40 VAL . 7025 1 44 41 CYS . 7025 1 45 42 PHE . 7025 1 46 43 LYS . 7025 1 47 44 VAL . 7025 1 48 45 LYS . 7025 1 49 46 THR . 7025 1 50 47 THR . 7025 1 51 48 ALA . 7025 1 52 49 PRO . 7025 1 53 50 ARG . 7025 1 54 51 ARG . 7025 1 55 52 TYR . 7025 1 56 53 CYS . 7025 1 57 54 VAL . 7025 1 58 55 ARG . 7025 1 59 56 PRO . 7025 1 60 57 ASN . 7025 1 61 58 SER . 7025 1 62 59 GLY . 7025 1 63 60 ILE . 7025 1 64 61 ILE . 7025 1 65 62 ASP . 7025 1 66 63 PRO . 7025 1 67 64 GLY . 7025 1 68 65 SER . 7025 1 69 66 THR . 7025 1 70 67 VAL . 7025 1 71 68 THR . 7025 1 72 69 VAL . 7025 1 73 70 SER . 7025 1 74 71 VAL . 7025 1 75 72 MET . 7025 1 76 73 LEU . 7025 1 77 74 GLN . 7025 1 78 75 PRO . 7025 1 79 76 PHE . 7025 1 80 77 ASP . 7025 1 81 78 TYR . 7025 1 82 79 ASP . 7025 1 83 80 PRO . 7025 1 84 81 ASN . 7025 1 85 82 GLU . 7025 1 86 83 LYS . 7025 1 87 84 SER . 7025 1 88 85 LYS . 7025 1 89 86 HIS . 7025 1 90 87 LYS . 7025 1 91 88 PHE . 7025 1 92 89 MET . 7025 1 93 90 VAL . 7025 1 94 91 GLN . 7025 1 95 92 THR . 7025 1 96 93 ILE . 7025 1 97 94 PHE . 7025 1 98 95 ALA . 7025 1 99 96 PRO . 7025 1 100 97 PRO . 7025 1 101 98 ASN . 7025 1 102 99 THR . 7025 1 103 100 SER . 7025 1 104 101 ASP . 7025 1 105 102 MET . 7025 1 106 103 GLU . 7025 1 107 104 ALA . 7025 1 108 105 VAL . 7025 1 109 106 TRP . 7025 1 110 107 LYS . 7025 1 111 108 GLU . 7025 1 112 109 ALA . 7025 1 113 110 LYS . 7025 1 114 111 PRO . 7025 1 115 112 ASP . 7025 1 116 113 GLU . 7025 1 117 114 LEU . 7025 1 118 115 MET . 7025 1 119 116 ASP . 7025 1 120 117 SER . 7025 1 121 118 LYS . 7025 1 122 119 LEU . 7025 1 123 120 ARG . 7025 1 124 121 CYS . 7025 1 125 122 VAL . 7025 1 126 123 PHE . 7025 1 127 124 GLU . 7025 1 128 125 MET . 7025 1 129 126 PRO . 7025 1 130 127 ASN . 7025 1 131 128 GLU . 7025 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7025 1 . PRO 2 2 7025 1 . LEU 3 3 7025 1 . GLY 4 4 7025 1 . SER 5 5 7025 1 . ASP 6 6 7025 1 . HIS 7 7 7025 1 . GLU 8 8 7025 1 . GLN 9 9 7025 1 . ILE 10 10 7025 1 . LEU 11 11 7025 1 . VAL 12 12 7025 1 . LEU 13 13 7025 1 . ASP 14 14 7025 1 . PRO 15 15 7025 1 . PRO 16 16 7025 1 . THR 17 17 7025 1 . ASP 18 18 7025 1 . LEU 19 19 7025 1 . LYS 20 20 7025 1 . PHE 21 21 7025 1 . LYS 22 22 7025 1 . GLY 23 23 7025 1 . PRO 24 24 7025 1 . PHE 25 25 7025 1 . THR 26 26 7025 1 . ASP 27 27 7025 1 . VAL 28 28 7025 1 . VAL 29 29 7025 1 . THR 30 30 7025 1 . THR 31 31 7025 1 . ASN 32 32 7025 1 . LEU 33 33 7025 1 . LYS 34 34 7025 1 . LEU 35 35 7025 1 . ARG 36 36 7025 1 . ASN 37 37 7025 1 . PRO 38 38 7025 1 . SER 39 39 7025 1 . ASP 40 40 7025 1 . ARG 41 41 7025 1 . LYS 42 42 7025 1 . VAL 43 43 7025 1 . CYS 44 44 7025 1 . PHE 45 45 7025 1 . LYS 46 46 7025 1 . VAL 47 47 7025 1 . LYS 48 48 7025 1 . THR 49 49 7025 1 . THR 50 50 7025 1 . ALA 51 51 7025 1 . PRO 52 52 7025 1 . ARG 53 53 7025 1 . ARG 54 54 7025 1 . TYR 55 55 7025 1 . CYS 56 56 7025 1 . VAL 57 57 7025 1 . ARG 58 58 7025 1 . PRO 59 59 7025 1 . ASN 60 60 7025 1 . SER 61 61 7025 1 . GLY 62 62 7025 1 . ILE 63 63 7025 1 . ILE 64 64 7025 1 . ASP 65 65 7025 1 . PRO 66 66 7025 1 . GLY 67 67 7025 1 . SER 68 68 7025 1 . THR 69 69 7025 1 . VAL 70 70 7025 1 . THR 71 71 7025 1 . VAL 72 72 7025 1 . SER 73 73 7025 1 . VAL 74 74 7025 1 . MET 75 75 7025 1 . LEU 76 76 7025 1 . GLN 77 77 7025 1 . PRO 78 78 7025 1 . PHE 79 79 7025 1 . ASP 80 80 7025 1 . TYR 81 81 7025 1 . ASP 82 82 7025 1 . PRO 83 83 7025 1 . ASN 84 84 7025 1 . GLU 85 85 7025 1 . LYS 86 86 7025 1 . SER 87 87 7025 1 . LYS 88 88 7025 1 . HIS 89 89 7025 1 . LYS 90 90 7025 1 . PHE 91 91 7025 1 . MET 92 92 7025 1 . VAL 93 93 7025 1 . GLN 94 94 7025 1 . THR 95 95 7025 1 . ILE 96 96 7025 1 . PHE 97 97 7025 1 . ALA 98 98 7025 1 . PRO 99 99 7025 1 . PRO 100 100 7025 1 . ASN 101 101 7025 1 . THR 102 102 7025 1 . SER 103 103 7025 1 . ASP 104 104 7025 1 . MET 105 105 7025 1 . GLU 106 106 7025 1 . ALA 107 107 7025 1 . VAL 108 108 7025 1 . TRP 109 109 7025 1 . LYS 110 110 7025 1 . GLU 111 111 7025 1 . ALA 112 112 7025 1 . LYS 113 113 7025 1 . PRO 114 114 7025 1 . ASP 115 115 7025 1 . GLU 116 116 7025 1 . LEU 117 117 7025 1 . MET 118 118 7025 1 . ASP 119 119 7025 1 . SER 120 120 7025 1 . LYS 121 121 7025 1 . LEU 122 122 7025 1 . ARG 123 123 7025 1 . CYS 124 124 7025 1 . VAL 125 125 7025 1 . PHE 126 126 7025 1 . GLU 127 127 7025 1 . MET 128 128 7025 1 . PRO 129 129 7025 1 . ASN 130 130 7025 1 . GLU 131 131 7025 1 stop_ save_ save_OSBP _Entity.Sf_category entity _Entity.Sf_framecode OSBP _Entity.Entry_ID 7025 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'oxisterol-binding protein' _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 ; GPLGSDHWGKGDMSDEDDEN EFFDAPEIITMPENLGHKRT GSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'seq_code 338-385' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5455.7 _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 1 338 GLY . 7025 2 2 339 PRO . 7025 2 3 340 LEU . 7025 2 4 341 GLY . 7025 2 5 342 SER . 7025 2 6 343 ASP . 7025 2 7 344 HIS . 7025 2 8 345 TRP . 7025 2 9 346 GLY . 7025 2 10 347 LYS . 7025 2 11 348 GLY . 7025 2 12 349 ASP . 7025 2 13 350 MET . 7025 2 14 351 SER . 7025 2 15 352 ASP . 7025 2 16 353 GLU . 7025 2 17 354 ASP . 7025 2 18 355 ASP . 7025 2 19 356 GLU . 7025 2 20 357 ASN . 7025 2 21 358 GLU . 7025 2 22 359 PHE . 7025 2 23 360 PHE . 7025 2 24 361 ASP . 7025 2 25 362 ALA . 7025 2 26 363 PRO . 7025 2 27 364 GLU . 7025 2 28 365 ILE . 7025 2 29 366 ILE . 7025 2 30 367 THR . 7025 2 31 368 MET . 7025 2 32 369 PRO . 7025 2 33 370 GLU . 7025 2 34 371 ASN . 7025 2 35 372 LEU . 7025 2 36 373 GLY . 7025 2 37 374 HIS . 7025 2 38 375 LYS . 7025 2 39 376 ARG . 7025 2 40 377 THR . 7025 2 41 378 GLY . 7025 2 42 379 SER . 7025 2 43 380 HIS . 7025 2 44 381 HIS . 7025 2 45 382 HIS . 7025 2 46 383 HIS . 7025 2 47 384 HIS . 7025 2 48 385 HIS . 7025 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7025 2 . PRO 2 2 7025 2 . LEU 3 3 7025 2 . GLY 4 4 7025 2 . SER 5 5 7025 2 . ASP 6 6 7025 2 . HIS 7 7 7025 2 . TRP 8 8 7025 2 . GLY 9 9 7025 2 . LYS 10 10 7025 2 . GLY 11 11 7025 2 . ASP 12 12 7025 2 . MET 13 13 7025 2 . SER 14 14 7025 2 . ASP 15 15 7025 2 . GLU 16 16 7025 2 . ASP 17 17 7025 2 . ASP 18 18 7025 2 . GLU 19 19 7025 2 . ASN 20 20 7025 2 . GLU 21 21 7025 2 . PHE 22 22 7025 2 . PHE 23 23 7025 2 . ASP 24 24 7025 2 . ALA 25 25 7025 2 . PRO 26 26 7025 2 . GLU 27 27 7025 2 . ILE 28 28 7025 2 . ILE 29 29 7025 2 . THR 30 30 7025 2 . MET 31 31 7025 2 . PRO 32 32 7025 2 . GLU 33 33 7025 2 . ASN 34 34 7025 2 . LEU 35 35 7025 2 . GLY 36 36 7025 2 . HIS 37 37 7025 2 . LYS 38 38 7025 2 . ARG 39 39 7025 2 . THR 40 40 7025 2 . GLY 41 41 7025 2 . SER 42 42 7025 2 . HIS 43 43 7025 2 . HIS 44 44 7025 2 . HIS 45 45 7025 2 . HIS 46 46 7025 2 . HIS 47 47 7025 2 . HIS 48 48 7025 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7025 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $VAP-A . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7025 1 2 2 $OSBP . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7025 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 7025 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $VAP-A . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 7025 1 2 2 $OSBP . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 7025 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7025 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'vesicle-associated membrane protein-associated protein-A' '[U-13C; U-15N]' . . 1 $VAP-A . protein 1.0 . . mM 0.2 . . . 7025 1 2 'oxisterol-binding protein' . . . 2 $OSBP . protein 1.0 . . mM 0.2 . . . 7025 1 3 'K phosphate' . . . . . . buffer 50 . . mM . . . . 7025 1 4 KCl . . . . . . salt 100 . . mM . . . . 7025 1 5 DTT . . . . . . 'reducing agent' 1 . . mM . . . . 7025 1 6 EDTA . . . . . . 'chelating agent' 0.1 . . mM . . . . 7025 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7025 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'vesicle-associated membrane protein-associated protein-A' . . . 1 $VAP-A . protein 1.0 . . mM 0.2 . . . 7025 2 2 'oxisterol-binding protein' '[U-13C; U15N]' . . 2 $OSBP . protein 1.0 . . mM 0.2 . . . 7025 2 3 'K phosphate' . . . . . . buffer 50 . . mM . . . . 7025 2 4 KCl . . . . . . salt 100 . . mM . . . . 7025 2 5 DTT . . . . . . 'reducing agent' 1 . . mM . . . . 7025 2 6 EDTA . . . . . . 'chelating agent' 0.1 . . mM . . . . 7025 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7025 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'vesicle-associated membrane protein-associated protein-A' [U-15N] . . 1 $VAP-A . protein 1.0 . . mM 0.2 . . . 7025 3 2 'oxisterol-binding protein' [U-15N] . . 2 $OSBP . protein 1.0 . . mM 0.2 . . . 7025 3 3 'K phosphate' . . . . . . buffer 50 . . mM . . . . 7025 3 4 KCl . . . . . . salt 100 . . mM . . . . 7025 3 5 DTT . . . . . . 'reducing agent' 1 . . mM . . . . 7025 3 6 EDTA . . . . . . 'chelating agent' 0.1 . . mM . . . . 7025 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7025 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.05 pH 7025 1 temperature 303 0.5 K 7025 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 7025 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7025 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7025 _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 HNCACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 2 HN(CO)CACB no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 3 HN(CA)CO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 4 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 5 H(CCO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 6 C(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 7 HC(CO)NH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 8 HCCH_TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 9 '15N-edited TOCSY-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 10 '15N-filtered 2D-NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 11 '1H15N HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7025 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7025 _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 0.0 . indirect 0.251449530 . . . 1 $citation1 . . 1 $citation1 7025 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation1 . . 1 $citation1 7025 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation1 . . 1 $citation1 7025 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7025 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 HNCACB 1 $sample_1 isotropic 7025 1 2 HN(CO)CACB 1 $sample_1 isotropic 7025 1 3 HN(CA)CO 1 $sample_1 isotropic 7025 1 4 HNCO 1 $sample_1 isotropic 7025 1 5 H(CCO)NH 1 $sample_1 isotropic 7025 1 5 H(CCO)NH 1 $sample_1 isotropic 7025 1 6 C(CO)NH 1 $sample_1 isotropic 7025 1 7 HC(CO)NH 1 $sample_1 isotropic 7025 1 8 HCCH_TOCSY 1 $sample_1 isotropic 7025 1 9 '15N-edited TOCSY-HSQC' 3 $sample_3 isotropic 7025 1 10 '15N-filtered 2D-NOESY' 3 $sample_3 isotropic 7025 1 11 '1H15N HSQC' 1 $sample_1 isotropic 7025 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 GLY H H 1 8.305 0.003 . 1 . . . . 1 GLY H . 7025 1 2 . 1 1 4 4 GLY HA2 H 1 3.957 0.03 . 1 . . . . 1 GLY HA2 . 7025 1 3 . 1 1 4 4 GLY HA3 H 1 3.957 0.03 . 1 . . . . 1 GLY HA3 . 7025 1 4 . 1 1 4 4 GLY C C 13 174.115 0.3 . 1 . . . . 1 GLY C . 7025 1 5 . 1 1 4 4 GLY CA C 13 45.41 0.044 . 1 . . . . 1 GLY CA . 7025 1 6 . 1 1 4 4 GLY N N 15 109.843 0.012 . 1 . . . . 1 GLY N . 7025 1 7 . 1 1 5 5 SER H H 1 8.187 0.008 . 1 . . . . 2 SER H . 7025 1 8 . 1 1 5 5 SER HA H 1 4.418 0.03 . 1 . . . . 2 SER HA . 7025 1 9 . 1 1 5 5 SER HB2 H 1 3.801 0.03 . 2 . . . . 2 SER HB2 . 7025 1 10 . 1 1 5 5 SER HB3 H 1 3.814 0.03 . 2 . . . . 2 SER HB3 . 7025 1 11 . 1 1 5 5 SER C C 13 174.376 0.002 . 1 . . . . 2 SER C . 7025 1 12 . 1 1 5 5 SER CA C 13 58.255 0.09 . 1 . . . . 2 SER CA . 7025 1 13 . 1 1 5 5 SER CB C 13 64.046 0.077 . 1 . . . . 2 SER CB . 7025 1 14 . 1 1 5 5 SER N N 15 115.561 0.021 . 1 . . . . 2 SER N . 7025 1 15 . 1 1 6 6 ASP H H 1 8.43 0.005 . 1 . . . . 3 ASP H . 7025 1 16 . 1 1 6 6 ASP HA H 1 4.521 0.03 . 1 . . . . 3 ASP HA . 7025 1 17 . 1 1 6 6 ASP HB2 H 1 2.552 0.03 . 2 . . . . 3 ASP HB2 . 7025 1 18 . 1 1 6 6 ASP HB3 H 1 2.556 0.03 . 2 . . . . 3 ASP HB3 . 7025 1 19 . 1 1 6 6 ASP C C 13 175.873 0.001 . 1 . . . . 3 ASP C . 7025 1 20 . 1 1 6 6 ASP CA C 13 54.702 0.003 . 1 . . . . 3 ASP CA . 7025 1 21 . 1 1 6 6 ASP CB C 13 41.027 0.028 . 1 . . . . 3 ASP CB . 7025 1 22 . 1 1 6 6 ASP N N 15 121.858 0.013 . 1 . . . . 3 ASP N . 7025 1 23 . 1 1 7 7 HIS H H 1 8.305 0.007 . 1 . . . . 4 HIS H . 7025 1 24 . 1 1 7 7 HIS HA H 1 4.628 0.03 . 1 . . . . 4 HIS HA . 7025 1 25 . 1 1 7 7 HIS HB2 H 1 3.063 0.03 . 2 . . . . 4 HIS HB2 . 7025 1 26 . 1 1 7 7 HIS HB3 H 1 3.199 0.03 . 2 . . . . 4 HIS HB3 . 7025 1 27 . 1 1 7 7 HIS C C 13 174.396 0.003 . 1 . . . . 4 HIS C . 7025 1 28 . 1 1 7 7 HIS CA C 13 55.329 0.006 . 1 . . . . 4 HIS CA . 7025 1 29 . 1 1 7 7 HIS CB C 13 29.435 0.046 . 1 . . . . 4 HIS CB . 7025 1 30 . 1 1 7 7 HIS N N 15 118.354 0.045 . 1 . . . . 4 HIS N . 7025 1 31 . 1 1 8 8 GLU H H 1 8.251 0.006 . 1 . . . . 5 GLU H . 7025 1 32 . 1 1 8 8 GLU HA H 1 4.149 0.03 . 1 . . . . 5 GLU HA . 7025 1 33 . 1 1 8 8 GLU HB2 H 1 1.85 0.03 . 2 . . . . 5 GLU HB2 . 7025 1 34 . 1 1 8 8 GLU HB3 H 1 1.933 0.03 . 2 . . . . 5 GLU HB3 . 7025 1 35 . 1 1 8 8 GLU HG2 H 1 2.187 0.03 . 2 . . . . 5 GLU HG2 . 7025 1 36 . 1 1 8 8 GLU HG3 H 1 2.186 0.03 . 2 . . . . 5 GLU HG3 . 7025 1 37 . 1 1 8 8 GLU C C 13 175.638 0.003 . 1 . . . . 5 GLU C . 7025 1 38 . 1 1 8 8 GLU CA C 13 56.441 0.073 . 1 . . . . 5 GLU CA . 7025 1 39 . 1 1 8 8 GLU CB C 13 30.733 0.067 . 1 . . . . 5 GLU CB . 7025 1 40 . 1 1 8 8 GLU CG C 13 36.112 0.3 . 1 . . . . 5 GLU CG . 7025 1 41 . 1 1 8 8 GLU N N 15 122.285 0.005 . 1 . . . . 5 GLU N . 7025 1 42 . 1 1 9 9 GLN H H 1 8.236 0.006 . 1 . . . . 6 GLN H . 7025 1 43 . 1 1 9 9 GLN HA H 1 3.851 0.03 . 1 . . . . 6 GLN HA . 7025 1 44 . 1 1 9 9 GLN HB2 H 1 1.868 0.03 . 2 . . . . 6 GLN HB2 . 7025 1 45 . 1 1 9 9 GLN HB3 H 1 2.04 0.03 . 2 . . . . 6 GLN HB3 . 7025 1 46 . 1 1 9 9 GLN HG2 H 1 2.414 0.03 . 2 . . . . 6 GLN HG2 . 7025 1 47 . 1 1 9 9 GLN HG3 H 1 2.532 0.03 . 2 . . . . 6 GLN HG3 . 7025 1 48 . 1 1 9 9 GLN HE21 H 1 5.728 0.03 . 2 . . . . 6 GLN HE22 . 7025 1 49 . 1 1 9 9 GLN HE22 H 1 7.382 0.03 . 2 . . . . 6 GLN HE23 . 7025 1 50 . 1 1 9 9 GLN C C 13 174.928 0.001 . 1 . . . . 6 GLN C . 7025 1 51 . 1 1 9 9 GLN CA C 13 56.102 0.059 . 1 . . . . 6 GLN CA . 7025 1 52 . 1 1 9 9 GLN CB C 13 32.381 0.024 . 1 . . . . 6 GLN CB . 7025 1 53 . 1 1 9 9 GLN CG C 13 33.221 0.3 . 1 . . . . 6 GLN CG . 7025 1 54 . 1 1 9 9 GLN N N 15 121.574 0.018 . 1 . . . . 6 GLN N . 7025 1 55 . 1 1 9 9 GLN NE2 N 15 105.139 0.002 . 1 . . . . 6 GLN NE2 . 7025 1 56 . 1 1 10 10 ILE H H 1 7.265 0.006 . 1 . . . . 7 ILE H . 7025 1 57 . 1 1 10 10 ILE HA H 1 4.361 0.003 . 1 . . . . 7 ILE HA . 7025 1 58 . 1 1 10 10 ILE HB H 1 1.732 0.006 . 1 . . . . 7 ILE HB . 7025 1 59 . 1 1 10 10 ILE HG12 H 1 1.451 0.03 . 1 . . . . 7 ILE HG12 . 7025 1 60 . 1 1 10 10 ILE HG13 H 1 1.451 0.03 . 1 . . . . 7 ILE HG13 . 7025 1 61 . 1 1 10 10 ILE HG21 H 1 0.586 0.03 . 1 . . . . 7 ILE HG2 . 7025 1 62 . 1 1 10 10 ILE HG22 H 1 0.586 0.03 . 1 . . . . 7 ILE HG2 . 7025 1 63 . 1 1 10 10 ILE HG23 H 1 0.586 0.03 . 1 . . . . 7 ILE HG2 . 7025 1 64 . 1 1 10 10 ILE HD11 H 1 1.007 0.008 . 1 . . . . 7 ILE HD1 . 7025 1 65 . 1 1 10 10 ILE HD12 H 1 1.007 0.008 . 1 . . . . 7 ILE HD1 . 7025 1 66 . 1 1 10 10 ILE HD13 H 1 1.007 0.008 . 1 . . . . 7 ILE HD1 . 7025 1 67 . 1 1 10 10 ILE C C 13 174.956 0.006 . 1 . . . . 7 ILE C . 7025 1 68 . 1 1 10 10 ILE CA C 13 58.787 0.06 . 1 . . . . 7 ILE CA . 7025 1 69 . 1 1 10 10 ILE CB C 13 38.886 0.053 . 1 . . . . 7 ILE CB . 7025 1 70 . 1 1 10 10 ILE CG1 C 13 29.2 0.3 . 1 . . . . 7 ILE CG1 . 7025 1 71 . 1 1 10 10 ILE CG2 C 13 19.375 0.3 . 1 . . . . 7 ILE CG2 . 7025 1 72 . 1 1 10 10 ILE CD1 C 13 13.74 0.3 . 1 . . . . 7 ILE CD1 . 7025 1 73 . 1 1 10 10 ILE N N 15 127.529 0.022 . 1 . . . . 7 ILE N . 7025 1 74 . 1 1 11 11 LEU H H 1 7.618 0.008 . 1 . . . . 8 LEU H . 7025 1 75 . 1 1 11 11 LEU HA H 1 4.45 0.03 . 1 . . . . 8 LEU HA . 7025 1 76 . 1 1 11 11 LEU HB2 H 1 0.983 0.03 . 2 . . . . 8 LEU HB2 . 7025 1 77 . 1 1 11 11 LEU HB3 H 1 1.2 0.03 . 2 . . . . 8 LEU HB3 . 7025 1 78 . 1 1 11 11 LEU HG H 1 1.526 0.004 . 1 . . . . 8 LEU HG . 7025 1 79 . 1 1 11 11 LEU HD11 H 1 0.458 0.002 . 2 . . . . 8 LEU HD1 . 7025 1 80 . 1 1 11 11 LEU HD12 H 1 0.458 0.002 . 2 . . . . 8 LEU HD1 . 7025 1 81 . 1 1 11 11 LEU HD13 H 1 0.458 0.002 . 2 . . . . 8 LEU HD1 . 7025 1 82 . 1 1 11 11 LEU HD21 H 1 0.603 0.001 . 2 . . . . 8 LEU HD2 . 7025 1 83 . 1 1 11 11 LEU HD22 H 1 0.603 0.001 . 2 . . . . 8 LEU HD2 . 7025 1 84 . 1 1 11 11 LEU HD23 H 1 0.603 0.001 . 2 . . . . 8 LEU HD2 . 7025 1 85 . 1 1 11 11 LEU C C 13 175.477 0.003 . 1 . . . . 8 LEU C . 7025 1 86 . 1 1 11 11 LEU CA C 13 54.372 0.015 . 1 . . . . 8 LEU CA . 7025 1 87 . 1 1 11 11 LEU CB C 13 42.569 0.065 . 1 . . . . 8 LEU CB . 7025 1 88 . 1 1 11 11 LEU CG C 13 26.466 0.3 . 1 . . . . 8 LEU CG . 7025 1 89 . 1 1 11 11 LEU CD1 C 13 28.588 0.3 . 2 . . . . 8 LEU CD1 . 7025 1 90 . 1 1 11 11 LEU CD2 C 13 22.088 0.3 . 2 . . . . 8 LEU CD2 . 7025 1 91 . 1 1 11 11 LEU N N 15 118.06 0.021 . 1 . . . . 8 LEU N . 7025 1 92 . 1 1 12 12 VAL H H 1 8.738 0.007 . 1 . . . . 9 VAL H . 7025 1 93 . 1 1 12 12 VAL HA H 1 3.909 0.008 . 1 . . . . 9 VAL HA . 7025 1 94 . 1 1 12 12 VAL HB H 1 1.719 0.03 . 1 . . . . 9 VAL HB . 7025 1 95 . 1 1 12 12 VAL HG11 H 1 0.87 0.03 . 2 . . . . 9 VAL HG1 . 7025 1 96 . 1 1 12 12 VAL HG12 H 1 0.87 0.03 . 2 . . . . 9 VAL HG1 . 7025 1 97 . 1 1 12 12 VAL HG13 H 1 0.87 0.03 . 2 . . . . 9 VAL HG1 . 7025 1 98 . 1 1 12 12 VAL HG21 H 1 0.819 0.03 . 2 . . . . 9 VAL HG2 . 7025 1 99 . 1 1 12 12 VAL HG22 H 1 0.819 0.03 . 2 . . . . 9 VAL HG2 . 7025 1 100 . 1 1 12 12 VAL HG23 H 1 0.819 0.03 . 2 . . . . 9 VAL HG2 . 7025 1 101 . 1 1 12 12 VAL C C 13 175.516 0.011 . 1 . . . . 9 VAL C . 7025 1 102 . 1 1 12 12 VAL CA C 13 62.27 0.082 . 1 . . . . 9 VAL CA . 7025 1 103 . 1 1 12 12 VAL CB C 13 33.231 0.185 . 1 . . . . 9 VAL CB . 7025 1 104 . 1 1 12 12 VAL CG1 C 13 20.828 0.3 . 2 . . . . 9 VAL CG1 . 7025 1 105 . 1 1 12 12 VAL CG2 C 13 21.136 0.3 . 2 . . . . 9 VAL CG2 . 7025 1 106 . 1 1 12 12 VAL N N 15 119.389 0.037 . 1 . . . . 9 VAL N . 7025 1 107 . 1 1 13 13 LEU H H 1 8.711 0.005 . 1 . . . . 10 LEU H . 7025 1 108 . 1 1 13 13 LEU HA H 1 4.761 0.009 . 1 . . . . 10 LEU HA . 7025 1 109 . 1 1 13 13 LEU HB2 H 1 1.422 0.03 . 2 . . . . 10 LEU HB2 . 7025 1 110 . 1 1 13 13 LEU HB3 H 1 1.731 0.03 . 2 . . . . 10 LEU HB3 . 7025 1 111 . 1 1 13 13 LEU HG H 1 1.418 0.003 . 1 . . . . 10 LEU HG . 7025 1 112 . 1 1 13 13 LEU HD11 H 1 0.658 0.025 . 2 . . . . 10 LEU HD1 . 7025 1 113 . 1 1 13 13 LEU HD12 H 1 0.658 0.025 . 2 . . . . 10 LEU HD1 . 7025 1 114 . 1 1 13 13 LEU HD13 H 1 0.658 0.025 . 2 . . . . 10 LEU HD1 . 7025 1 115 . 1 1 13 13 LEU HD21 H 1 0.606 0.012 . 2 . . . . 10 LEU HD2 . 7025 1 116 . 1 1 13 13 LEU HD22 H 1 0.606 0.012 . 2 . . . . 10 LEU HD2 . 7025 1 117 . 1 1 13 13 LEU HD23 H 1 0.606 0.012 . 2 . . . . 10 LEU HD2 . 7025 1 118 . 1 1 13 13 LEU C C 13 175.671 0.005 . 1 . . . . 10 LEU C . 7025 1 119 . 1 1 13 13 LEU CA C 13 55.294 0.081 . 1 . . . . 10 LEU CA . 7025 1 120 . 1 1 13 13 LEU CB C 13 43.779 0.007 . 1 . . . . 10 LEU CB . 7025 1 121 . 1 1 13 13 LEU CG C 13 30.305 0.008 . 1 . . . . 10 LEU CG . 7025 1 122 . 1 1 13 13 LEU CD1 C 13 26.872 0.3 . 2 . . . . 10 LEU CD1 . 7025 1 123 . 1 1 13 13 LEU CD2 C 13 24.257 0.3 . 2 . . . . 10 LEU CD2 . 7025 1 124 . 1 1 13 13 LEU N N 15 132.744 0.033 . 1 . . . . 10 LEU N . 7025 1 125 . 1 1 14 14 ASP H H 1 8.226 0.007 . 1 . . . . 11 ASP H . 7025 1 126 . 1 1 14 14 ASP HA H 1 4.589 0.03 . 1 . . . . 11 ASP HA . 7025 1 127 . 1 1 14 14 ASP HB2 H 1 2.343 0.015 . 2 . . . . 11 ASP HB2 . 7025 1 128 . 1 1 14 14 ASP HB3 H 1 2.624 0.03 . 2 . . . . 11 ASP HB3 . 7025 1 129 . 1 1 14 14 ASP C C 13 173.683 0.3 . 1 . . . . 11 ASP C . 7025 1 130 . 1 1 14 14 ASP CA C 13 51.175 0.068 . 1 . . . . 11 ASP CA . 7025 1 131 . 1 1 14 14 ASP CB C 13 44.273 0.3 . 1 . . . . 11 ASP CB . 7025 1 132 . 1 1 14 14 ASP N N 15 119.439 0.066 . 1 . . . . 11 ASP N . 7025 1 133 . 1 1 15 15 PRO HA H 1 5.144 0.008 . 1 . . . . 12 PRO HA . 7025 1 134 . 1 1 15 15 PRO HB2 H 1 2.146 0.001 . 2 . . . . 12 PRO HB2 . 7025 1 135 . 1 1 15 15 PRO HB3 H 1 2.442 0.011 . 2 . . . . 12 PRO HB3 . 7025 1 136 . 1 1 15 15 PRO HG2 H 1 1.804 0.012 . 2 . . . . 12 PRO HG2 . 7025 1 137 . 1 1 15 15 PRO HG3 H 1 2.006 0.03 . 2 . . . . 12 PRO HG3 . 7025 1 138 . 1 1 15 15 PRO HD2 H 1 3.561 0.03 . 2 . . . . 12 PRO HD2 . 7025 1 139 . 1 1 15 15 PRO HD3 H 1 3.623 0.003 . 2 . . . . 12 PRO HD3 . 7025 1 140 . 1 1 15 15 PRO CA C 13 61.663 0.017 . 1 . . . . 12 PRO CA . 7025 1 141 . 1 1 15 15 PRO CB C 13 34.313 0.005 . 1 . . . . 12 PRO CB . 7025 1 142 . 1 1 15 15 PRO CG C 13 26.372 0.3 . 1 . . . . 12 PRO CG . 7025 1 143 . 1 1 16 16 PRO HA H 1 4.324 0.03 . 1 . . . . 13 PRO HA . 7025 1 144 . 1 1 16 16 PRO HB2 H 1 1.95 0.03 . 2 . . . . 13 PRO HB2 . 7025 1 145 . 1 1 16 16 PRO HB3 H 1 2.265 0.03 . 2 . . . . 13 PRO HB3 . 7025 1 146 . 1 1 16 16 PRO HG2 H 1 2.156 0.03 . 2 . . . . 13 PRO HG2 . 7025 1 147 . 1 1 16 16 PRO HG3 H 1 2.145 0.03 . 2 . . . . 13 PRO HG3 . 7025 1 148 . 1 1 16 16 PRO C C 13 178.81 0.3 . 1 . . . . 13 PRO C . 7025 1 149 . 1 1 16 16 PRO CA C 13 64.271 0.057 . 1 . . . . 13 PRO CA . 7025 1 150 . 1 1 16 16 PRO CB C 13 32.21 0.084 . 1 . . . . 13 PRO CB . 7025 1 151 . 1 1 16 16 PRO CG C 13 27.333 0.3 . 1 . . . . 13 PRO CG . 7025 1 152 . 1 1 17 17 THR H H 1 7.747 0.006 . 1 . . . . 14 THR H . 7025 1 153 . 1 1 17 17 THR HA H 1 4.531 0.03 . 1 . . . . 14 THR HA . 7025 1 154 . 1 1 17 17 THR HB H 1 3.133 0.03 . 1 . . . . 14 THR HB . 7025 1 155 . 1 1 17 17 THR HG21 H 1 1.134 0.03 . 1 . . . . 14 THR HG2 . 7025 1 156 . 1 1 17 17 THR HG22 H 1 1.134 0.03 . 1 . . . . 14 THR HG2 . 7025 1 157 . 1 1 17 17 THR HG23 H 1 1.134 0.03 . 1 . . . . 14 THR HG2 . 7025 1 158 . 1 1 17 17 THR C C 13 172.802 0.003 . 1 . . . . 14 THR C . 7025 1 159 . 1 1 17 17 THR CA C 13 63.792 0.098 . 1 . . . . 14 THR CA . 7025 1 160 . 1 1 17 17 THR CB C 13 71.78 0.003 . 1 . . . . 14 THR CB . 7025 1 161 . 1 1 17 17 THR CG2 C 13 21.774 0.3 . 1 . . . . 14 THR CG2 . 7025 1 162 . 1 1 17 17 THR N N 15 107.67 0.024 . 1 . . . . 14 THR N . 7025 1 163 . 1 1 18 18 ASP H H 1 8.423 0.007 . 1 . . . . 15 ASP H . 7025 1 164 . 1 1 18 18 ASP HA H 1 5.287 0.03 . 1 . . . . 15 ASP HA . 7025 1 165 . 1 1 18 18 ASP HB2 H 1 2.113 0.03 . 2 . . . . 15 ASP HB2 . 7025 1 166 . 1 1 18 18 ASP HB3 H 1 2.415 0.03 . 2 . . . . 15 ASP HB3 . 7025 1 167 . 1 1 18 18 ASP C C 13 174.112 0.003 . 1 . . . . 15 ASP C . 7025 1 168 . 1 1 18 18 ASP CA C 13 53.304 0.07 . 1 . . . . 15 ASP CA . 7025 1 169 . 1 1 18 18 ASP CB C 13 43.032 0.014 . 1 . . . . 15 ASP CB . 7025 1 170 . 1 1 18 18 ASP N N 15 122.634 0.056 . 1 . . . . 15 ASP N . 7025 1 171 . 1 1 19 19 LEU H H 1 8.871 0.007 . 1 . . . . 16 LEU H . 7025 1 172 . 1 1 19 19 LEU HA H 1 4.209 0.03 . 1 . . . . 16 LEU HA . 7025 1 173 . 1 1 19 19 LEU HB2 H 1 1.581 0.03 . 2 . . . . 16 LEU HB2 . 7025 1 174 . 1 1 19 19 LEU HB3 H 1 0.989 0.03 . 2 . . . . 16 LEU HB3 . 7025 1 175 . 1 1 19 19 LEU HG H 1 1.178 0.03 . 1 . . . . 16 LEU HG . 7025 1 176 . 1 1 19 19 LEU HD11 H 1 0.407 0.03 . 2 . . . . 16 LEU HD1 . 7025 1 177 . 1 1 19 19 LEU HD12 H 1 0.407 0.03 . 2 . . . . 16 LEU HD1 . 7025 1 178 . 1 1 19 19 LEU HD13 H 1 0.407 0.03 . 2 . . . . 16 LEU HD1 . 7025 1 179 . 1 1 19 19 LEU HD21 H 1 0.269 0.03 . 2 . . . . 16 LEU HD2 . 7025 1 180 . 1 1 19 19 LEU HD22 H 1 0.269 0.03 . 2 . . . . 16 LEU HD2 . 7025 1 181 . 1 1 19 19 LEU HD23 H 1 0.269 0.03 . 2 . . . . 16 LEU HD2 . 7025 1 182 . 1 1 19 19 LEU C C 13 173.919 0.001 . 1 . . . . 16 LEU C . 7025 1 183 . 1 1 19 19 LEU CA C 13 53.475 0.107 . 1 . . . . 16 LEU CA . 7025 1 184 . 1 1 19 19 LEU CB C 13 43.602 0.049 . 1 . . . . 16 LEU CB . 7025 1 185 . 1 1 19 19 LEU CG C 13 26.038 0.3 . 1 . . . . 16 LEU CG . 7025 1 186 . 1 1 19 19 LEU CD1 C 13 24.071 0.3 . 2 . . . . 16 LEU CD1 . 7025 1 187 . 1 1 19 19 LEU CD2 C 13 26.038 0.3 . 2 . . . . 16 LEU CD2 . 7025 1 188 . 1 1 19 19 LEU N N 15 123.616 0.044 . 1 . . . . 16 LEU N . 7025 1 189 . 1 1 20 20 LYS H H 1 8.158 0.006 . 1 . . . . 17 LYS H . 7025 1 190 . 1 1 20 20 LYS HA H 1 4.965 0.004 . 1 . . . . 17 LYS HA . 7025 1 191 . 1 1 20 20 LYS HB2 H 1 1.506 0.03 . 1 . . . . 17 LYS HB2 . 7025 1 192 . 1 1 20 20 LYS HB3 H 1 1.506 0.03 . 1 . . . . 17 LYS HB3 . 7025 1 193 . 1 1 20 20 LYS HG2 H 1 0.996 0.001 . 2 . . . . 17 LYS HG2 . 7025 1 194 . 1 1 20 20 LYS HG3 H 1 1.195 0.03 . 2 . . . . 17 LYS HG3 . 7025 1 195 . 1 1 20 20 LYS HD2 H 1 1.528 0.03 . 1 . . . . 17 LYS HD2 . 7025 1 196 . 1 1 20 20 LYS HD3 H 1 1.528 0.03 . 1 . . . . 17 LYS HD3 . 7025 1 197 . 1 1 20 20 LYS HE2 H 1 2.821 0.002 . 2 . . . . 17 LYS HE2 . 7025 1 198 . 1 1 20 20 LYS HE3 H 1 2.82 0.03 . 2 . . . . 17 LYS HE3 . 7025 1 199 . 1 1 20 20 LYS C C 13 175.39 0.002 . 1 . . . . 17 LYS C . 7025 1 200 . 1 1 20 20 LYS CA C 13 55.148 0.031 . 1 . . . . 17 LYS CA . 7025 1 201 . 1 1 20 20 LYS CB C 13 33.673 0.044 . 1 . . . . 17 LYS CB . 7025 1 202 . 1 1 20 20 LYS CG C 13 25.295 0.202 . 1 . . . . 17 LYS CG . 7025 1 203 . 1 1 20 20 LYS CD C 13 29.298 0.3 . 1 . . . . 17 LYS CD . 7025 1 204 . 1 1 20 20 LYS N N 15 123.458 0.024 . 1 . . . . 17 LYS N . 7025 1 205 . 1 1 21 21 PHE H H 1 9.053 0.006 . 1 . . . . 18 PHE H . 7025 1 206 . 1 1 21 21 PHE HA H 1 4.566 0.03 . 1 . . . . 18 PHE HA . 7025 1 207 . 1 1 21 21 PHE HB2 H 1 3.017 0.03 . 2 . . . . 18 PHE HB2 . 7025 1 208 . 1 1 21 21 PHE HB3 H 1 3.14 0.03 . 2 . . . . 18 PHE HB3 . 7025 1 209 . 1 1 21 21 PHE HD1 H 1 7.159 0.002 . 3 . . . . 18 PHE HD2 . 7025 1 210 . 1 1 21 21 PHE HD2 H 1 7.159 0.002 . 3 . . . . 18 PHE HD3 . 7025 1 211 . 1 1 21 21 PHE HE1 H 1 6.548 0.003 . 3 . . . . 18 PHE HE2 . 7025 1 212 . 1 1 21 21 PHE HE2 H 1 6.549 0.002 . 3 . . . . 18 PHE HE3 . 7025 1 213 . 1 1 21 21 PHE C C 13 173.86 0.001 . 1 . . . . 18 PHE C . 7025 1 214 . 1 1 21 21 PHE CA C 13 56.977 0.011 . 1 . . . . 18 PHE CA . 7025 1 215 . 1 1 21 21 PHE CB C 13 33.709 0.3 . 1 . . . . 18 PHE CB . 7025 1 216 . 1 1 21 21 PHE N N 15 123.695 0.035 . 1 . . . . 18 PHE N . 7025 1 217 . 1 1 22 22 LYS H H 1 8.407 0.006 . 1 . . . . 19 LYS H . 7025 1 218 . 1 1 22 22 LYS HA H 1 4.978 0.03 . 1 . . . . 19 LYS HA . 7025 1 219 . 1 1 22 22 LYS HB2 H 1 1.735 0.03 . 2 . . . . 19 LYS HB2 . 7025 1 220 . 1 1 22 22 LYS HB3 H 1 1.708 0.063 . 2 . . . . 19 LYS HB3 . 7025 1 221 . 1 1 22 22 LYS HG2 H 1 1.256 0.03 . 2 . . . . 19 LYS HG2 . 7025 1 222 . 1 1 22 22 LYS HG3 H 1 1.59 0.03 . 2 . . . . 19 LYS HG3 . 7025 1 223 . 1 1 22 22 LYS HD2 H 1 1.624 0.03 . 2 . . . . 19 LYS HD2 . 7025 1 224 . 1 1 22 22 LYS HD3 H 1 1.645 0.03 . 2 . . . . 19 LYS HD3 . 7025 1 225 . 1 1 22 22 LYS HE2 H 1 2.888 0.03 . 1 . . . . 19 LYS HE2 . 7025 1 226 . 1 1 22 22 LYS HE3 H 1 2.888 0.03 . 1 . . . . 19 LYS HE3 . 7025 1 227 . 1 1 22 22 LYS C C 13 175.42 0.003 . 1 . . . . 19 LYS C . 7025 1 228 . 1 1 22 22 LYS CA C 13 54.964 0.097 . 1 . . . . 19 LYS CA . 7025 1 229 . 1 1 22 22 LYS CB C 13 33.562 0.015 . 1 . . . . 19 LYS CB . 7025 1 230 . 1 1 22 22 LYS CG C 13 24.704 0.3 . 1 . . . . 19 LYS CG . 7025 1 231 . 1 1 22 22 LYS CD C 13 29.471 0.3 . 1 . . . . 19 LYS CD . 7025 1 232 . 1 1 22 22 LYS N N 15 126.028 0.012 . 1 . . . . 19 LYS N . 7025 1 233 . 1 1 23 23 GLY H H 1 8.137 0.007 . 1 . . . . 20 GLY H . 7025 1 234 . 1 1 23 23 GLY HA2 H 1 3.526 0.013 . 2 . . . . 20 GLY HA2 . 7025 1 235 . 1 1 23 23 GLY HA3 H 1 3.866 0.01 . 2 . . . . 20 GLY HA3 . 7025 1 236 . 1 1 23 23 GLY C C 13 170.998 0.3 . 1 . . . . 20 GLY C . 7025 1 237 . 1 1 23 23 GLY CA C 13 43.056 0.164 . 1 . . . . 20 GLY CA . 7025 1 238 . 1 1 23 23 GLY N N 15 112.11 0.04 . 1 . . . . 20 GLY N . 7025 1 239 . 1 1 24 24 PRO HA H 1 3.773 0.001 . 1 . . . . 21 PRO HA . 7025 1 240 . 1 1 24 24 PRO HB2 H 1 1.978 0.03 . 2 . . . . 21 PRO HB2 . 7025 1 241 . 1 1 24 24 PRO HB3 H 1 2.302 0.03 . 2 . . . . 21 PRO HB3 . 7025 1 242 . 1 1 24 24 PRO HG2 H 1 1.723 0.03 . 1 . . . . 21 PRO HG2 . 7025 1 243 . 1 1 24 24 PRO HG3 H 1 1.723 0.03 . 1 . . . . 21 PRO HG3 . 7025 1 244 . 1 1 24 24 PRO HD2 H 1 3.389 0.03 . 2 . . . . 21 PRO HD2 . 7025 1 245 . 1 1 24 24 PRO HD3 H 1 3.361 0.03 . 2 . . . . 21 PRO HD3 . 7025 1 246 . 1 1 24 24 PRO C C 13 175.908 0.3 . 1 . . . . 21 PRO C . 7025 1 247 . 1 1 24 24 PRO CA C 13 61.944 0.078 . 1 . . . . 21 PRO CA . 7025 1 248 . 1 1 24 24 PRO CB C 13 35.692 0.3 . 1 . . . . 21 PRO CB . 7025 1 249 . 1 1 24 24 PRO CG C 13 25.018 0.3 . 1 . . . . 21 PRO CG . 7025 1 250 . 1 1 25 25 PHE H H 1 8.685 0.006 . 1 . . . . 22 PHE H . 7025 1 251 . 1 1 25 25 PHE HA H 1 4.809 0.03 . 1 . . . . 22 PHE HA . 7025 1 252 . 1 1 25 25 PHE HB2 H 1 2.042 0.03 . 2 . . . . 22 PHE HB2 . 7025 1 253 . 1 1 25 25 PHE HB3 H 1 3.33 0.03 . 2 . . . . 22 PHE HB3 . 7025 1 254 . 1 1 25 25 PHE HD1 H 1 7.04 0.002 . 3 . . . . 22 PHE HD2 . 7025 1 255 . 1 1 25 25 PHE HD2 H 1 7.04 0.002 . 3 . . . . 22 PHE HD3 . 7025 1 256 . 1 1 25 25 PHE HE1 H 1 6.549 0.002 . 3 . . . . 22 PHE HE2 . 7025 1 257 . 1 1 25 25 PHE HE2 H 1 6.549 0.002 . 3 . . . . 22 PHE HE3 . 7025 1 258 . 1 1 25 25 PHE C C 13 174.22 0.03 . 1 . . . . 22 PHE C . 7025 1 259 . 1 1 25 25 PHE CA C 13 57.768 0.112 . 1 . . . . 22 PHE CA . 7025 1 260 . 1 1 25 25 PHE CB C 13 37.617 0.036 . 1 . . . . 22 PHE CB . 7025 1 261 . 1 1 25 25 PHE N N 15 122.273 0.087 . 1 . . . . 22 PHE N . 7025 1 262 . 1 1 26 26 THR H H 1 6.886 0.006 . 1 . . . . 23 THR H . 7025 1 263 . 1 1 26 26 THR HA H 1 4.154 0.03 . 1 . . . . 23 THR HA . 7025 1 264 . 1 1 26 26 THR HB H 1 4.327 0.03 . 1 . . . . 23 THR HB . 7025 1 265 . 1 1 26 26 THR HG21 H 1 1.109 0.03 . 1 . . . . 23 THR HG2 . 7025 1 266 . 1 1 26 26 THR HG22 H 1 1.109 0.03 . 1 . . . . 23 THR HG2 . 7025 1 267 . 1 1 26 26 THR HG23 H 1 1.109 0.03 . 1 . . . . 23 THR HG2 . 7025 1 268 . 1 1 26 26 THR C C 13 173.561 0.003 . 1 . . . . 23 THR C . 7025 1 269 . 1 1 26 26 THR CA C 13 61.334 0.053 . 1 . . . . 23 THR CA . 7025 1 270 . 1 1 26 26 THR CB C 13 68.612 0.002 . 1 . . . . 23 THR CB . 7025 1 271 . 1 1 26 26 THR CG2 C 13 22.441 0.3 . 1 . . . . 23 THR CG2 . 7025 1 272 . 1 1 26 26 THR N N 15 104.972 0.024 . 1 . . . . 23 THR N . 7025 1 273 . 1 1 27 27 ASP H H 1 7.827 0.004 . 1 . . . . 24 ASP H . 7025 1 274 . 1 1 27 27 ASP HA H 1 4.661 0.03 . 1 . . . . 24 ASP HA . 7025 1 275 . 1 1 27 27 ASP HB2 H 1 2.656 0.03 . 2 . . . . 24 ASP HB2 . 7025 1 276 . 1 1 27 27 ASP HB3 H 1 2.431 0.03 . 2 . . . . 24 ASP HB3 . 7025 1 277 . 1 1 27 27 ASP C C 13 173.959 0.002 . 1 . . . . 24 ASP C . 7025 1 278 . 1 1 27 27 ASP CA C 13 51.621 0.091 . 1 . . . . 24 ASP CA . 7025 1 279 . 1 1 27 27 ASP CB C 13 43.993 0.114 . 1 . . . . 24 ASP CB . 7025 1 280 . 1 1 27 27 ASP N N 15 121.286 0.01 . 1 . . . . 24 ASP N . 7025 1 281 . 1 1 28 28 VAL H H 1 8.956 0.004 . 1 . . . . 25 VAL H . 7025 1 282 . 1 1 28 28 VAL HA H 1 4.141 0.03 . 1 . . . . 25 VAL HA . 7025 1 283 . 1 1 28 28 VAL HB H 1 1.829 0.03 . 1 . . . . 25 VAL HB . 7025 1 284 . 1 1 28 28 VAL HG11 H 1 0.752 0.03 . 2 . . . . 25 VAL HG1 . 7025 1 285 . 1 1 28 28 VAL HG12 H 1 0.752 0.03 . 2 . . . . 25 VAL HG1 . 7025 1 286 . 1 1 28 28 VAL HG13 H 1 0.752 0.03 . 2 . . . . 25 VAL HG1 . 7025 1 287 . 1 1 28 28 VAL HG21 H 1 0.982 0.03 . 2 . . . . 25 VAL HG2 . 7025 1 288 . 1 1 28 28 VAL HG22 H 1 0.982 0.03 . 2 . . . . 25 VAL HG2 . 7025 1 289 . 1 1 28 28 VAL HG23 H 1 0.982 0.03 . 2 . . . . 25 VAL HG2 . 7025 1 290 . 1 1 28 28 VAL C C 13 176.876 0.004 . 1 . . . . 25 VAL C . 7025 1 291 . 1 1 28 28 VAL CA C 13 63.642 0.068 . 1 . . . . 25 VAL CA . 7025 1 292 . 1 1 28 28 VAL CB C 13 32.548 0.009 . 1 . . . . 25 VAL CB . 7025 1 293 . 1 1 28 28 VAL CG1 C 13 21.463 0.3 . 2 . . . . 25 VAL CG1 . 7025 1 294 . 1 1 28 28 VAL CG2 C 13 22.785 0.3 . 2 . . . . 25 VAL CG2 . 7025 1 295 . 1 1 28 28 VAL N N 15 120.499 0.016 . 1 . . . . 25 VAL N . 7025 1 296 . 1 1 29 29 VAL H H 1 8.473 0.006 . 1 . . . . 26 VAL H . 7025 1 297 . 1 1 29 29 VAL HA H 1 4.493 0.03 . 1 . . . . 26 VAL HA . 7025 1 298 . 1 1 29 29 VAL HB H 1 2.227 0.03 . 1 . . . . 26 VAL HB . 7025 1 299 . 1 1 29 29 VAL HG11 H 1 1.248 0.03 . 2 . . . . 26 VAL HG1 . 7025 1 300 . 1 1 29 29 VAL HG12 H 1 1.248 0.03 . 2 . . . . 26 VAL HG1 . 7025 1 301 . 1 1 29 29 VAL HG13 H 1 1.248 0.03 . 2 . . . . 26 VAL HG1 . 7025 1 302 . 1 1 29 29 VAL HG21 H 1 1.25 0.03 . 2 . . . . 26 VAL HG2 . 7025 1 303 . 1 1 29 29 VAL HG22 H 1 1.25 0.03 . 2 . . . . 26 VAL HG2 . 7025 1 304 . 1 1 29 29 VAL HG23 H 1 1.25 0.03 . 2 . . . . 26 VAL HG2 . 7025 1 305 . 1 1 29 29 VAL C C 13 174.81 0.005 . 1 . . . . 26 VAL C . 7025 1 306 . 1 1 29 29 VAL CA C 13 62.221 0.006 . 1 . . . . 26 VAL CA . 7025 1 307 . 1 1 29 29 VAL CB C 13 34.945 0.01 . 1 . . . . 26 VAL CB . 7025 1 308 . 1 1 29 29 VAL CG1 C 13 21.882 0.03 . 2 . . . . 26 VAL CG1 . 7025 1 309 . 1 1 29 29 VAL CG2 C 13 22.958 0.03 . 2 . . . . 26 VAL CG2 . 7025 1 310 . 1 1 29 29 VAL N N 15 130.611 0.037 . 1 . . . . 26 VAL N . 7025 1 311 . 1 1 30 30 THR H H 1 8.652 0.005 . 1 . . . . 27 THR H . 7025 1 312 . 1 1 30 30 THR HA H 1 5.621 0.03 . 1 . . . . 27 THR HA . 7025 1 313 . 1 1 30 30 THR HB H 1 3.912 0.03 . 1 . . . . 27 THR HB . 7025 1 314 . 1 1 30 30 THR HG21 H 1 1.049 0.03 . 1 . . . . 27 THR HG2 . 7025 1 315 . 1 1 30 30 THR HG22 H 1 1.049 0.03 . 1 . . . . 27 THR HG2 . 7025 1 316 . 1 1 30 30 THR HG23 H 1 1.049 0.03 . 1 . . . . 27 THR HG2 . 7025 1 317 . 1 1 30 30 THR C C 13 174.772 0.011 . 1 . . . . 27 THR C . 7025 1 318 . 1 1 30 30 THR CA C 13 61.304 0.131 . 1 . . . . 27 THR CA . 7025 1 319 . 1 1 30 30 THR CB C 13 70.661 0.017 . 1 . . . . 27 THR CB . 7025 1 320 . 1 1 30 30 THR CG2 C 13 21.872 0.3 . 1 . . . . 27 THR CG2 . 7025 1 321 . 1 1 30 30 THR N N 15 121.579 0.03 . 1 . . . . 27 THR N . 7025 1 322 . 1 1 31 31 THR H H 1 9.238 0.007 . 1 . . . . 28 THR H . 7025 1 323 . 1 1 31 31 THR HA H 1 4.432 0.03 . 1 . . . . 28 THR HA . 7025 1 324 . 1 1 31 31 THR HB H 1 3.505 0.03 . 1 . . . . 28 THR HB . 7025 1 325 . 1 1 31 31 THR HG21 H 1 0.537 0.03 . 1 . . . . 28 THR HG2 . 7025 1 326 . 1 1 31 31 THR HG22 H 1 0.537 0.03 . 1 . . . . 28 THR HG2 . 7025 1 327 . 1 1 31 31 THR HG23 H 1 0.537 0.03 . 1 . . . . 28 THR HG2 . 7025 1 328 . 1 1 31 31 THR C C 13 171.475 0.007 . 1 . . . . 28 THR C . 7025 1 329 . 1 1 31 31 THR CA C 13 60.989 0.201 . 1 . . . . 28 THR CA . 7025 1 330 . 1 1 31 31 THR CB C 13 71.351 0.285 . 1 . . . . 28 THR CB . 7025 1 331 . 1 1 31 31 THR CG2 C 13 20.979 0.3 . 1 . . . . 28 THR CG2 . 7025 1 332 . 1 1 31 31 THR N N 15 122.532 0.016 . 1 . . . . 28 THR N . 7025 1 333 . 1 1 32 32 ASN H H 1 8.129 0.005 . 1 . . . . 29 ASN H . 7025 1 334 . 1 1 32 32 ASN HA H 1 5.491 0.03 . 1 . . . . 29 ASN HA . 7025 1 335 . 1 1 32 32 ASN HB2 H 1 2.596 0.03 . 2 . . . . 29 ASN HB2 . 7025 1 336 . 1 1 32 32 ASN HB3 H 1 2.189 0.03 . 2 . . . . 29 ASN HB3 . 7025 1 337 . 1 1 32 32 ASN HD21 H 1 6.758 0.03 . 2 . . . . 29 ASN HD22 . 7025 1 338 . 1 1 32 32 ASN HD22 H 1 7.238 0.03 . 2 . . . . 29 ASN HD23 . 7025 1 339 . 1 1 32 32 ASN C C 13 173.618 0.005 . 1 . . . . 29 ASN C . 7025 1 340 . 1 1 32 32 ASN CA C 13 52.197 0.039 . 1 . . . . 29 ASN CA . 7025 1 341 . 1 1 32 32 ASN CB C 13 41.052 0.017 . 1 . . . . 29 ASN CB . 7025 1 342 . 1 1 32 32 ASN N N 15 121.703 0.031 . 1 . . . . 29 ASN N . 7025 1 343 . 1 1 32 32 ASN ND2 N 15 111.339 0.001 . 1 . . . . 29 ASN ND2 . 7025 1 344 . 1 1 33 33 LEU H H 1 9.023 0.005 . 1 . . . . 30 LEU H . 7025 1 345 . 1 1 33 33 LEU HA H 1 4.687 0.03 . 1 . . . . 30 LEU HA . 7025 1 346 . 1 1 33 33 LEU HB2 H 1 0.954 0.03 . 2 . . . . 30 LEU HB2 . 7025 1 347 . 1 1 33 33 LEU HB3 H 1 1.529 0.03 . 2 . . . . 30 LEU HB3 . 7025 1 348 . 1 1 33 33 LEU HG H 1 1.059 0.03 . 1 . . . . 30 LEU HG . 7025 1 349 . 1 1 33 33 LEU HD11 H 1 0.393 0.03 . 2 . . . . 30 LEU HD1 . 7025 1 350 . 1 1 33 33 LEU HD12 H 1 0.393 0.03 . 2 . . . . 30 LEU HD1 . 7025 1 351 . 1 1 33 33 LEU HD13 H 1 0.393 0.03 . 2 . . . . 30 LEU HD1 . 7025 1 352 . 1 1 33 33 LEU HD21 H 1 0.633 0.03 . 2 . . . . 30 LEU HD2 . 7025 1 353 . 1 1 33 33 LEU HD22 H 1 0.633 0.03 . 2 . . . . 30 LEU HD2 . 7025 1 354 . 1 1 33 33 LEU HD23 H 1 0.633 0.03 . 2 . . . . 30 LEU HD2 . 7025 1 355 . 1 1 33 33 LEU C C 13 173.858 0.003 . 1 . . . . 30 LEU C . 7025 1 356 . 1 1 33 33 LEU CA C 13 53.668 0.024 . 1 . . . . 30 LEU CA . 7025 1 357 . 1 1 33 33 LEU CB C 13 44.793 0.036 . 1 . . . . 30 LEU CB . 7025 1 358 . 1 1 33 33 LEU CD1 C 13 25.258 0.3 . 2 . . . . 30 LEU CD1 . 7025 1 359 . 1 1 33 33 LEU CD2 C 13 23.553 0.3 . 2 . . . . 30 LEU CD2 . 7025 1 360 . 1 1 33 33 LEU N N 15 124.759 0.018 . 1 . . . . 30 LEU N . 7025 1 361 . 1 1 34 34 LYS H H 1 9.044 0.007 . 1 . . . . 31 LYS H . 7025 1 362 . 1 1 34 34 LYS HA H 1 4.773 0.004 . 1 . . . . 31 LYS HA . 7025 1 363 . 1 1 34 34 LYS HB2 H 1 1.772 0.005 . 2 . . . . 31 LYS HB2 . 7025 1 364 . 1 1 34 34 LYS HB3 H 1 1.483 0.03 . 2 . . . . 31 LYS HB3 . 7025 1 365 . 1 1 34 34 LYS HG2 H 1 1.347 0.03 . 2 . . . . 31 LYS HG2 . 7025 1 366 . 1 1 34 34 LYS HG3 H 1 1.333 0.005 . 2 . . . . 31 LYS HG3 . 7025 1 367 . 1 1 34 34 LYS HD2 H 1 1.483 0.03 . 2 . . . . 31 LYS HD2 . 7025 1 368 . 1 1 34 34 LYS HD3 H 1 1.506 0.023 . 2 . . . . 31 LYS HD3 . 7025 1 369 . 1 1 34 34 LYS HE2 H 1 2.822 0.03 . 2 . . . . 31 LYS HE2 . 7025 1 370 . 1 1 34 34 LYS HE3 H 1 2.819 0.001 . 2 . . . . 31 LYS HE3 . 7025 1 371 . 1 1 34 34 LYS C C 13 175.303 0.003 . 1 . . . . 31 LYS C . 7025 1 372 . 1 1 34 34 LYS CA C 13 55.79 0.101 . 1 . . . . 31 LYS CA . 7025 1 373 . 1 1 34 34 LYS CB C 13 34.169 0.038 . 1 . . . . 31 LYS CB . 7025 1 374 . 1 1 34 34 LYS CG C 13 25.403 0.035 . 1 . . . . 31 LYS CG . 7025 1 375 . 1 1 34 34 LYS CD C 13 29.539 0.033 . 1 . . . . 31 LYS CD . 7025 1 376 . 1 1 34 34 LYS CE C 13 41.294 0.3 . 1 . . . . 31 LYS CE . 7025 1 377 . 1 1 34 34 LYS N N 15 126.997 0.022 . 1 . . . . 31 LYS N . 7025 1 378 . 1 1 35 35 LEU H H 1 8.741 0.015 . 1 . . . . 32 LEU H . 7025 1 379 . 1 1 35 35 LEU HA H 1 4.619 0.003 . 1 . . . . 32 LEU HA . 7025 1 380 . 1 1 35 35 LEU HB2 H 1 1.513 0.001 . 1 . . . . 32 LEU HB2 . 7025 1 381 . 1 1 35 35 LEU HB3 H 1 1.513 0.002 . 1 . . . . 32 LEU HB3 . 7025 1 382 . 1 1 35 35 LEU HG H 1 1.112 0.008 . 1 . . . . 32 LEU HG . 7025 1 383 . 1 1 35 35 LEU HD11 H 1 -0.271 0.002 . 2 . . . . 32 LEU HD1 . 7025 1 384 . 1 1 35 35 LEU HD12 H 1 -0.271 0.002 . 2 . . . . 32 LEU HD1 . 7025 1 385 . 1 1 35 35 LEU HD13 H 1 -0.271 0.002 . 2 . . . . 32 LEU HD1 . 7025 1 386 . 1 1 35 35 LEU HD21 H 1 0.272 0.006 . 2 . . . . 32 LEU HD2 . 7025 1 387 . 1 1 35 35 LEU HD22 H 1 0.272 0.006 . 2 . . . . 32 LEU HD2 . 7025 1 388 . 1 1 35 35 LEU HD23 H 1 0.272 0.006 . 2 . . . . 32 LEU HD2 . 7025 1 389 . 1 1 35 35 LEU C C 13 174.099 0.3 . 1 . . . . 32 LEU C . 7025 1 390 . 1 1 35 35 LEU CA C 13 52.966 0.098 . 1 . . . . 32 LEU CA . 7025 1 391 . 1 1 35 35 LEU CB C 13 43.406 0.037 . 1 . . . . 32 LEU CB . 7025 1 392 . 1 1 35 35 LEU CG C 13 26.514 0.023 . 1 . . . . 32 LEU CG . 7025 1 393 . 1 1 35 35 LEU CD1 C 13 25.002 0.03 . 2 . . . . 32 LEU CD1 . 7025 1 394 . 1 1 35 35 LEU CD2 C 13 24.995 0.03 . 2 . . . . 32 LEU CD2 . 7025 1 395 . 1 1 35 35 LEU N N 15 123.123 0.1 . 1 . . . . 32 LEU N . 7025 1 396 . 1 1 36 36 ARG H H 1 8.7 0.013 . 1 . . . . 33 ARG H . 7025 1 397 . 1 1 36 36 ARG HA H 1 5.101 0.03 . 1 . . . . 33 ARG HA . 7025 1 398 . 1 1 36 36 ARG HB2 H 1 1.666 0.03 . 2 . . . . 33 ARG HB2 . 7025 1 399 . 1 1 36 36 ARG HB3 H 1 1.531 0.03 . 2 . . . . 33 ARG HB3 . 7025 1 400 . 1 1 36 36 ARG HG2 H 1 1.189 0.03 . 2 . . . . 33 ARG HG2 . 7025 1 401 . 1 1 36 36 ARG HG3 H 1 1.11 0.03 . 2 . . . . 33 ARG HG3 . 7025 1 402 . 1 1 36 36 ARG C C 13 174.664 0.008 . 1 . . . . 33 ARG C . 7025 1 403 . 1 1 36 36 ARG CA C 13 54.253 0.101 . 1 . . . . 33 ARG CA . 7025 1 404 . 1 1 36 36 ARG CB C 13 33.401 0.025 . 1 . . . . 33 ARG CB . 7025 1 405 . 1 1 36 36 ARG CG C 13 27.651 0.3 . 1 . . . . 33 ARG CG . 7025 1 406 . 1 1 36 36 ARG CD C 13 43.373 0.3 . 1 . . . . 33 ARG CD . 7025 1 407 . 1 1 36 36 ARG N N 15 122.932 0.05 . 1 . . . . 33 ARG N . 7025 1 408 . 1 1 37 37 ASN H H 1 8.631 0.01 . 1 . . . . 34 ASN H . 7025 1 409 . 1 1 37 37 ASN HA H 1 5.136 0.03 . 1 . . . . 34 ASN HA . 7025 1 410 . 1 1 37 37 ASN CA C 13 48.497 0.3 . 1 . . . . 34 ASN CA . 7025 1 411 . 1 1 37 37 ASN CB C 13 39.988 0.3 . 1 . . . . 34 ASN CB . 7025 1 412 . 1 1 37 37 ASN N N 15 123.003 0.071 . 1 . . . . 34 ASN N . 7025 1 413 . 1 1 38 38 PRO HA H 1 4.685 0.03 . 1 . . . . 35 PRO HA . 7025 1 414 . 1 1 38 38 PRO HB2 H 1 1.891 0.03 . 2 . . . . 35 PRO HB2 . 7025 1 415 . 1 1 38 38 PRO HB3 H 1 2.111 0.03 . 2 . . . . 35 PRO HB3 . 7025 1 416 . 1 1 38 38 PRO HG2 H 1 1.979 0.03 . 2 . . . . 35 PRO HG2 . 7025 1 417 . 1 1 38 38 PRO HG3 H 1 2.002 0.03 . 2 . . . . 35 PRO HG3 . 7025 1 418 . 1 1 38 38 PRO HD2 H 1 3.901 0.03 . 2 . . . . 35 PRO HD2 . 7025 1 419 . 1 1 38 38 PRO HD3 H 1 4.204 0.03 . 2 . . . . 35 PRO HD3 . 7025 1 420 . 1 1 38 38 PRO C C 13 176.118 0.3 . 1 . . . . 35 PRO C . 7025 1 421 . 1 1 38 38 PRO CA C 13 62.767 0.022 . 1 . . . . 35 PRO CA . 7025 1 422 . 1 1 38 38 PRO CB C 13 32.394 0.051 . 1 . . . . 35 PRO CB . 7025 1 423 . 1 1 38 38 PRO CG C 13 26.38 0.3 . 1 . . . . 35 PRO CG . 7025 1 424 . 1 1 39 39 SER H H 1 7.883 0.008 . 1 . . . . 36 SER H . 7025 1 425 . 1 1 39 39 SER HA H 1 4.652 0.03 . 1 . . . . 36 SER HA . 7025 1 426 . 1 1 39 39 SER HB2 H 1 3.975 0.03 . 2 . . . . 36 SER HB2 . 7025 1 427 . 1 1 39 39 SER HB3 H 1 4.329 0.03 . 2 . . . . 36 SER HB3 . 7025 1 428 . 1 1 39 39 SER C C 13 172.45 0.004 . 1 . . . . 36 SER C . 7025 1 429 . 1 1 39 39 SER CA C 13 58.507 0.112 . 1 . . . . 36 SER CA . 7025 1 430 . 1 1 39 39 SER CB C 13 66.244 0.055 . 1 . . . . 36 SER CB . 7025 1 431 . 1 1 39 39 SER N N 15 118.637 0.046 . 1 . . . . 36 SER N . 7025 1 432 . 1 1 40 40 ASP H H 1 8.236 0.01 . 1 . . . . 37 ASP H . 7025 1 433 . 1 1 40 40 ASP HA H 1 4.629 0.03 . 1 . . . . 37 ASP HA . 7025 1 434 . 1 1 40 40 ASP HB2 H 1 2.602 0.03 . 2 . . . . 37 ASP HB2 . 7025 1 435 . 1 1 40 40 ASP HB3 H 1 2.782 0.03 . 2 . . . . 37 ASP HB3 . 7025 1 436 . 1 1 40 40 ASP C C 13 175.851 0.001 . 1 . . . . 37 ASP C . 7025 1 437 . 1 1 40 40 ASP CA C 13 53.422 0.077 . 1 . . . . 37 ASP CA . 7025 1 438 . 1 1 40 40 ASP CB C 13 40.509 0.055 . 1 . . . . 37 ASP CB . 7025 1 439 . 1 1 40 40 ASP N N 15 115.973 0.031 . 1 . . . . 37 ASP N . 7025 1 440 . 1 1 41 41 ARG H H 1 8.504 0.016 . 1 . . . . 38 ARG H . 7025 1 441 . 1 1 41 41 ARG HA H 1 4.592 0.03 . 1 . . . . 38 ARG HA . 7025 1 442 . 1 1 41 41 ARG HB2 H 1 2.019 0.03 . 2 . . . . 38 ARG HB2 . 7025 1 443 . 1 1 41 41 ARG HB3 H 1 1.969 0.03 . 2 . . . . 38 ARG HB3 . 7025 1 444 . 1 1 41 41 ARG HG2 H 1 1.501 0.008 . 2 . . . . 38 ARG HG2 . 7025 1 445 . 1 1 41 41 ARG HG3 H 1 1.603 0.03 . 2 . . . . 38 ARG HG3 . 7025 1 446 . 1 1 41 41 ARG HD2 H 1 2.708 0.013 . 2 . . . . 38 ARG HD2 . 7025 1 447 . 1 1 41 41 ARG HD3 H 1 2.498 0.003 . 2 . . . . 38 ARG HD3 . 7025 1 448 . 1 1 41 41 ARG C C 13 175.344 0.001 . 1 . . . . 38 ARG C . 7025 1 449 . 1 1 41 41 ARG CA C 13 54.533 0.079 . 1 . . . . 38 ARG CA . 7025 1 450 . 1 1 41 41 ARG CB C 13 34.943 0.258 . 1 . . . . 38 ARG CB . 7025 1 451 . 1 1 41 41 ARG CG C 13 26.197 0.3 . 1 . . . . 38 ARG CG . 7025 1 452 . 1 1 41 41 ARG CD C 13 43.353 0.056 . 1 . . . . 38 ARG CD . 7025 1 453 . 1 1 41 41 ARG N N 15 120.833 0.031 . 1 . . . . 38 ARG N . 7025 1 454 . 1 1 42 42 LYS H H 1 8.698 0.004 . 1 . . . . 39 LYS H . 7025 1 455 . 1 1 42 42 LYS HA H 1 4.273 0.008 . 1 . . . . 39 LYS HA . 7025 1 456 . 1 1 42 42 LYS HB2 H 1 1.719 0.03 . 2 . . . . 39 LYS HB2 . 7025 1 457 . 1 1 42 42 LYS HB3 H 1 1.726 0.005 . 2 . . . . 39 LYS HB3 . 7025 1 458 . 1 1 42 42 LYS HG2 H 1 1.424 0.03 . 2 . . . . 39 LYS HG2 . 7025 1 459 . 1 1 42 42 LYS HG3 H 1 1.41 0.03 . 2 . . . . 39 LYS HG3 . 7025 1 460 . 1 1 42 42 LYS HD2 H 1 1.594 0.03 . 2 . . . . 39 LYS HD2 . 7025 1 461 . 1 1 42 42 LYS HD3 H 1 1.598 0.03 . 2 . . . . 39 LYS HD3 . 7025 1 462 . 1 1 42 42 LYS HE2 H 1 2.938 0.001 . 2 . . . . 39 LYS HE2 . 7025 1 463 . 1 1 42 42 LYS HE3 H 1 2.937 0.03 . 2 . . . . 39 LYS HE3 . 7025 1 464 . 1 1 42 42 LYS C C 13 176.619 0.003 . 1 . . . . 39 LYS C . 7025 1 465 . 1 1 42 42 LYS CA C 13 57.774 0.103 . 1 . . . . 39 LYS CA . 7025 1 466 . 1 1 42 42 LYS CB C 13 34.152 0.067 . 1 . . . . 39 LYS CB . 7025 1 467 . 1 1 42 42 LYS CG C 13 26.755 0.3 . 1 . . . . 39 LYS CG . 7025 1 468 . 1 1 42 42 LYS CD C 13 29.955 0.3 . 1 . . . . 39 LYS CD . 7025 1 469 . 1 1 42 42 LYS N N 15 120.133 0.039 . 1 . . . . 39 LYS N . 7025 1 470 . 1 1 43 43 VAL H H 1 7.997 0.006 . 1 . . . . 40 VAL H . 7025 1 471 . 1 1 43 43 VAL HA H 1 4.536 0.03 . 1 . . . . 40 VAL HA . 7025 1 472 . 1 1 43 43 VAL HB H 1 1.593 0.03 . 1 . . . . 40 VAL HB . 7025 1 473 . 1 1 43 43 VAL HG11 H 1 0.648 0.03 . 2 . . . . 40 VAL HG1 . 7025 1 474 . 1 1 43 43 VAL HG12 H 1 0.648 0.03 . 2 . . . . 40 VAL HG1 . 7025 1 475 . 1 1 43 43 VAL HG13 H 1 0.648 0.03 . 2 . . . . 40 VAL HG1 . 7025 1 476 . 1 1 43 43 VAL HG21 H 1 0.748 0.03 . 2 . . . . 40 VAL HG2 . 7025 1 477 . 1 1 43 43 VAL HG22 H 1 0.748 0.03 . 2 . . . . 40 VAL HG2 . 7025 1 478 . 1 1 43 43 VAL HG23 H 1 0.748 0.03 . 2 . . . . 40 VAL HG2 . 7025 1 479 . 1 1 43 43 VAL C C 13 175.264 0.003 . 1 . . . . 40 VAL C . 7025 1 480 . 1 1 43 43 VAL CA C 13 61.453 0.073 . 1 . . . . 40 VAL CA . 7025 1 481 . 1 1 43 43 VAL CB C 13 36.768 0.011 . 1 . . . . 40 VAL CB . 7025 1 482 . 1 1 43 43 VAL CG1 C 13 21.395 0.3 . 2 . . . . 40 VAL CG1 . 7025 1 483 . 1 1 43 43 VAL CG2 C 13 21.957 0.3 . 2 . . . . 40 VAL CG2 . 7025 1 484 . 1 1 43 43 VAL N N 15 121.773 0.042 . 1 . . . . 40 VAL N . 7025 1 485 . 1 1 44 44 CYS H H 1 9.103 0.007 . 1 . . . . 41 CYS H . 7025 1 486 . 1 1 44 44 CYS HA H 1 5.387 0.03 . 1 . . . . 41 CYS HA . 7025 1 487 . 1 1 44 44 CYS HB2 H 1 2.558 0.3 . 2 . . . . 41 CYS HB2 . 7025 1 488 . 1 1 44 44 CYS HB3 H 1 3.01 0.3 . 2 . . . . 41 CYS HB3 . 7025 1 489 . 1 1 44 44 CYS C C 13 173.588 0.004 . 1 . . . . 41 CYS C . 7025 1 490 . 1 1 44 44 CYS CA C 13 57.242 0.068 . 1 . . . . 41 CYS CA . 7025 1 491 . 1 1 44 44 CYS CB C 13 28.919 0.022 . 1 . . . . 41 CYS CB . 7025 1 492 . 1 1 44 44 CYS N N 15 125.271 0.026 . 1 . . . . 41 CYS N . 7025 1 493 . 1 1 45 45 PHE H H 1 9.044 0.007 . 1 . . . . 42 PHE H . 7025 1 494 . 1 1 45 45 PHE HA H 1 6.321 0.03 . 1 . . . . 42 PHE HA . 7025 1 495 . 1 1 45 45 PHE HB2 H 1 2.42 0.03 . 2 . . . . 42 PHE HB2 . 7025 1 496 . 1 1 45 45 PHE HB3 H 1 2.673 0.03 . 2 . . . . 42 PHE HB3 . 7025 1 497 . 1 1 45 45 PHE HD1 H 1 6.611 0.003 . 3 . . . . 42 PHE HD2 . 7025 1 498 . 1 1 45 45 PHE HD2 H 1 6.611 0.003 . 3 . . . . 42 PHE HD3 . 7025 1 499 . 1 1 45 45 PHE HE1 H 1 6.805 0.001 . 3 . . . . 42 PHE HE2 . 7025 1 500 . 1 1 45 45 PHE HE2 H 1 6.805 0.001 . 3 . . . . 42 PHE HE3 . 7025 1 501 . 1 1 45 45 PHE C C 13 173.325 0.006 . 1 . . . . 42 PHE C . 7025 1 502 . 1 1 45 45 PHE CA C 13 55.245 0.163 . 1 . . . . 42 PHE CA . 7025 1 503 . 1 1 45 45 PHE CB C 13 45.142 0.029 . 1 . . . . 42 PHE CB . 7025 1 504 . 1 1 45 45 PHE N N 15 118.475 0.036 . 1 . . . . 42 PHE N . 7025 1 505 . 1 1 46 46 LYS H H 1 9.051 0.006 . 1 . . . . 43 LYS H . 7025 1 506 . 1 1 46 46 LYS HA H 1 4.546 0.003 . 1 . . . . 43 LYS HA . 7025 1 507 . 1 1 46 46 LYS HB2 H 1 1.056 0.002 . 2 . . . . 43 LYS HB2 . 7025 1 508 . 1 1 46 46 LYS HB3 H 1 1.055 0.002 . 2 . . . . 43 LYS HB3 . 7025 1 509 . 1 1 46 46 LYS HG2 H 1 0.596 0.003 . 2 . . . . 43 LYS HG2 . 7025 1 510 . 1 1 46 46 LYS HG3 H 1 0.595 0.003 . 2 . . . . 43 LYS HG3 . 7025 1 511 . 1 1 46 46 LYS HD2 H 1 0.728 0.013 . 2 . . . . 43 LYS HD2 . 7025 1 512 . 1 1 46 46 LYS HD3 H 1 0.407 0.01 . 2 . . . . 43 LYS HD3 . 7025 1 513 . 1 1 46 46 LYS HE2 H 1 1.817 0.001 . 2 . . . . 43 LYS HE2 . 7025 1 514 . 1 1 46 46 LYS HE3 H 1 1.56 0.002 . 2 . . . . 43 LYS HE3 . 7025 1 515 . 1 1 46 46 LYS C C 13 174.423 0.003 . 1 . . . . 43 LYS C . 7025 1 516 . 1 1 46 46 LYS CA C 13 56.023 0.101 . 1 . . . . 43 LYS CA . 7025 1 517 . 1 1 46 46 LYS CB C 13 35.859 0.035 . 1 . . . . 43 LYS CB . 7025 1 518 . 1 1 46 46 LYS CG C 13 24.49 0.3 . 1 . . . . 43 LYS CG . 7025 1 519 . 1 1 46 46 LYS CD C 13 28.666 0.016 . 1 . . . . 43 LYS CD . 7025 1 520 . 1 1 46 46 LYS N N 15 119.913 0.034 . 1 . . . . 43 LYS N . 7025 1 521 . 1 1 47 47 VAL H H 1 8.403 0.01 . 1 . . . . 44 VAL H . 7025 1 522 . 1 1 47 47 VAL HA H 1 4.788 0.03 . 1 . . . . 44 VAL HA . 7025 1 523 . 1 1 47 47 VAL HB H 1 1.957 0.03 . 1 . . . . 44 VAL HB . 7025 1 524 . 1 1 47 47 VAL HG11 H 1 0.924 0.03 . 2 . . . . 44 VAL HG1 . 7025 1 525 . 1 1 47 47 VAL HG12 H 1 0.924 0.03 . 2 . . . . 44 VAL HG1 . 7025 1 526 . 1 1 47 47 VAL HG13 H 1 0.924 0.03 . 2 . . . . 44 VAL HG1 . 7025 1 527 . 1 1 47 47 VAL HG21 H 1 1 0.03 . 2 . . . . 44 VAL HG2 . 7025 1 528 . 1 1 47 47 VAL HG22 H 1 1 0.03 . 2 . . . . 44 VAL HG2 . 7025 1 529 . 1 1 47 47 VAL HG23 H 1 1 0.03 . 2 . . . . 44 VAL HG2 . 7025 1 530 . 1 1 47 47 VAL C C 13 175.043 0.001 . 1 . . . . 44 VAL C . 7025 1 531 . 1 1 47 47 VAL CA C 13 62.067 0.206 . 1 . . . . 44 VAL CA . 7025 1 532 . 1 1 47 47 VAL CB C 13 32.572 0.159 . 1 . . . . 44 VAL CB . 7025 1 533 . 1 1 47 47 VAL CG1 C 13 20.808 0.3 . 2 . . . . 44 VAL CG1 . 7025 1 534 . 1 1 47 47 VAL CG2 C 13 22.705 0.3 . 2 . . . . 44 VAL CG2 . 7025 1 535 . 1 1 47 47 VAL N N 15 121.586 0.049 . 1 . . . . 44 VAL N . 7025 1 536 . 1 1 48 48 LYS H H 1 9.402 0.008 . 1 . . . . 45 LYS H . 7025 1 537 . 1 1 48 48 LYS HA H 1 5.173 0.03 . 1 . . . . 45 LYS HA . 7025 1 538 . 1 1 48 48 LYS C C 13 174.839 0.002 . 1 . . . . 45 LYS C . 7025 1 539 . 1 1 48 48 LYS CA C 13 54.374 0.06 . 1 . . . . 45 LYS CA . 7025 1 540 . 1 1 48 48 LYS CB C 13 37.499 0.054 . 1 . . . . 45 LYS CB . 7025 1 541 . 1 1 48 48 LYS N N 15 125.443 0.049 . 1 . . . . 45 LYS N . 7025 1 542 . 1 1 49 49 THR H H 1 9.763 0.007 . 1 . . . . 46 THR H . 7025 1 543 . 1 1 49 49 THR HA H 1 5.14 0.03 . 1 . . . . 46 THR HA . 7025 1 544 . 1 1 49 49 THR HB H 1 3.067 0.03 . 1 . . . . 46 THR HB . 7025 1 545 . 1 1 49 49 THR HG21 H 1 0.701 0.03 . 1 . . . . 46 THR HG2 . 7025 1 546 . 1 1 49 49 THR HG22 H 1 0.701 0.03 . 1 . . . . 46 THR HG2 . 7025 1 547 . 1 1 49 49 THR HG23 H 1 0.701 0.03 . 1 . . . . 46 THR HG2 . 7025 1 548 . 1 1 49 49 THR C C 13 172.681 0.011 . 1 . . . . 46 THR C . 7025 1 549 . 1 1 49 49 THR CA C 13 59.045 0.013 . 1 . . . . 46 THR CA . 7025 1 550 . 1 1 49 49 THR CB C 13 69.604 0.131 . 1 . . . . 46 THR CB . 7025 1 551 . 1 1 49 49 THR CG2 C 13 17.052 0.3 . 1 . . . . 46 THR CG2 . 7025 1 552 . 1 1 49 49 THR N N 15 113.452 0.033 . 1 . . . . 46 THR N . 7025 1 553 . 1 1 50 50 THR H H 1 7.925 0.004 . 1 . . . . 47 THR H . 7025 1 554 . 1 1 50 50 THR HA H 1 4.72 0.03 . 1 . . . . 47 THR HA . 7025 1 555 . 1 1 50 50 THR HG21 H 1 0.125 0.03 . 1 . . . . 47 THR HG2 . 7025 1 556 . 1 1 50 50 THR HG22 H 1 0.125 0.03 . 1 . . . . 47 THR HG2 . 7025 1 557 . 1 1 50 50 THR HG23 H 1 0.125 0.03 . 1 . . . . 47 THR HG2 . 7025 1 558 . 1 1 50 50 THR C C 13 174.958 0.03 . 1 . . . . 47 THR C . 7025 1 559 . 1 1 50 50 THR CA C 13 62.505 0.094 . 1 . . . . 47 THR CA . 7025 1 560 . 1 1 50 50 THR CB C 13 69.49 0.051 . 1 . . . . 47 THR CB . 7025 1 561 . 1 1 50 50 THR CG2 C 13 21.441 0.3 . 1 . . . . 47 THR CG2 . 7025 1 562 . 1 1 50 50 THR N N 15 118.266 0.019 . 1 . . . . 47 THR N . 7025 1 563 . 1 1 51 51 ALA H H 1 7.813 0.005 . 1 . . . . 48 ALA H . 7025 1 564 . 1 1 51 51 ALA HA H 1 4.984 0.015 . 1 . . . . 48 ALA HA . 7025 1 565 . 1 1 51 51 ALA HB1 H 1 0.66 0.003 . 1 . . . . 48 ALA HB . 7025 1 566 . 1 1 51 51 ALA HB2 H 1 0.66 0.003 . 1 . . . . 48 ALA HB . 7025 1 567 . 1 1 51 51 ALA HB3 H 1 0.66 0.003 . 1 . . . . 48 ALA HB . 7025 1 568 . 1 1 51 51 ALA C C 13 174.479 0.3 . 1 . . . . 48 ALA C . 7025 1 569 . 1 1 51 51 ALA CA C 13 49.653 0.056 . 1 . . . . 48 ALA CA . 7025 1 570 . 1 1 51 51 ALA CB C 13 18.947 0.3 . 1 . . . . 48 ALA CB . 7025 1 571 . 1 1 51 51 ALA N N 15 124.68 0.049 . 1 . . . . 48 ALA N . 7025 1 572 . 1 1 52 52 PRO HA H 1 4.168 0.026 . 1 . . . . 49 PRO HA . 7025 1 573 . 1 1 52 52 PRO HB2 H 1 1.806 0.03 . 2 . . . . 49 PRO HB2 . 7025 1 574 . 1 1 52 52 PRO HB3 H 1 2.275 0.03 . 2 . . . . 49 PRO HB3 . 7025 1 575 . 1 1 52 52 PRO HG2 H 1 1.937 0.03 . 2 . . . . 49 PRO HG2 . 7025 1 576 . 1 1 52 52 PRO HG3 H 1 1.991 0.03 . 2 . . . . 49 PRO HG3 . 7025 1 577 . 1 1 52 52 PRO HD2 H 1 3.65 0.03 . 1 . . . . 49 PRO HD2 . 7025 1 578 . 1 1 52 52 PRO HD3 H 1 3.65 0.03 . 1 . . . . 49 PRO HD3 . 7025 1 579 . 1 1 52 52 PRO C C 13 175.838 0.3 . 1 . . . . 49 PRO C . 7025 1 580 . 1 1 52 52 PRO CA C 13 64.607 0.12 . 1 . . . . 49 PRO CA . 7025 1 581 . 1 1 52 52 PRO CB C 13 32.197 0.055 . 1 . . . . 49 PRO CB . 7025 1 582 . 1 1 52 52 PRO CG C 13 27.707 0.3 . 1 . . . . 49 PRO CG . 7025 1 583 . 1 1 53 53 ARG H H 1 8.223 0.004 . 1 . . . . 50 ARG H . 7025 1 584 . 1 1 53 53 ARG HA H 1 4.29 0.03 . 1 . . . . 50 ARG HA . 7025 1 585 . 1 1 53 53 ARG HB2 H 1 1.585 0.03 . 2 . . . . 50 ARG HB2 . 7025 1 586 . 1 1 53 53 ARG HB3 H 1 1.582 0.03 . 2 . . . . 50 ARG HB3 . 7025 1 587 . 1 1 53 53 ARG HG2 H 1 1.479 0.03 . 1 . . . . 50 ARG HG2 . 7025 1 588 . 1 1 53 53 ARG HG3 H 1 1.479 0.03 . 1 . . . . 50 ARG HG3 . 7025 1 589 . 1 1 53 53 ARG HD2 H 1 3.034 0.03 . 1 . . . . 50 ARG HD2 . 7025 1 590 . 1 1 53 53 ARG HD3 H 1 3.034 0.03 . 1 . . . . 50 ARG HD3 . 7025 1 591 . 1 1 53 53 ARG C C 13 176.724 0.003 . 1 . . . . 50 ARG C . 7025 1 592 . 1 1 53 53 ARG CA C 13 56.291 0.098 . 1 . . . . 50 ARG CA . 7025 1 593 . 1 1 53 53 ARG CB C 13 29.56 0.066 . 1 . . . . 50 ARG CB . 7025 1 594 . 1 1 53 53 ARG CG C 13 27.553 0.3 . 1 . . . . 50 ARG CG . 7025 1 595 . 1 1 53 53 ARG CD C 13 42.744 0.3 . 1 . . . . 50 ARG CD . 7025 1 596 . 1 1 53 53 ARG N N 15 114.566 0.031 . 1 . . . . 50 ARG N . 7025 1 597 . 1 1 54 54 ARG H H 1 7.591 0.008 . 1 . . . . 51 ARG H . 7025 1 598 . 1 1 54 54 ARG HA H 1 3.998 0.004 . 1 . . . . 51 ARG HA . 7025 1 599 . 1 1 54 54 ARG HB2 H 1 1.395 0.03 . 2 . . . . 51 ARG HB2 . 7025 1 600 . 1 1 54 54 ARG HB3 H 1 1.25 0.03 . 2 . . . . 51 ARG HB3 . 7025 1 601 . 1 1 54 54 ARG HG2 H 1 1.035 0.03 . 2 . . . . 51 ARG HG2 . 7025 1 602 . 1 1 54 54 ARG HG3 H 1 1.059 0.001 . 2 . . . . 51 ARG HG3 . 7025 1 603 . 1 1 54 54 ARG HD2 H 1 2.662 0.002 . 2 . . . . 51 ARG HD2 . 7025 1 604 . 1 1 54 54 ARG HD3 H 1 2.76 0.03 . 2 . . . . 51 ARG HD3 . 7025 1 605 . 1 1 54 54 ARG C C 13 173.93 0.3 . 1 . . . . 51 ARG C . 7025 1 606 . 1 1 54 54 ARG CA C 13 54.626 0.059 . 1 . . . . 51 ARG CA . 7025 1 607 . 1 1 54 54 ARG CB C 13 31.166 0.031 . 1 . . . . 51 ARG CB . 7025 1 608 . 1 1 54 54 ARG CG C 13 26.255 0.072 . 1 . . . . 51 ARG CG . 7025 1 609 . 1 1 54 54 ARG CD C 13 41.6 0.3 . 1 . . . . 51 ARG CD . 7025 1 610 . 1 1 54 54 ARG N N 15 115.678 0.118 . 1 . . . . 51 ARG N . 7025 1 611 . 1 1 55 55 TYR H H 1 6.93 0.006 . 1 . . . . 52 TYR H . 7025 1 612 . 1 1 55 55 TYR HA H 1 5.552 0.03 . 1 . . . . 52 TYR HA . 7025 1 613 . 1 1 55 55 TYR HB2 H 1 2.413 0.006 . 2 . . . . 52 TYR HB2 . 7025 1 614 . 1 1 55 55 TYR HB3 H 1 2.84 0.008 . 2 . . . . 52 TYR HB3 . 7025 1 615 . 1 1 55 55 TYR HD1 H 1 6.878 0.003 . 3 . . . . 52 TYR HD2 . 7025 1 616 . 1 1 55 55 TYR HD2 H 1 6.881 0.03 . 3 . . . . 52 TYR HD3 . 7025 1 617 . 1 1 55 55 TYR HE1 H 1 6.261 0.005 . 3 . . . . 52 TYR HE2 . 7025 1 618 . 1 1 55 55 TYR HE2 H 1 6.26 0.007 . 3 . . . . 52 TYR HE3 . 7025 1 619 . 1 1 55 55 TYR C C 13 174.811 0.003 . 1 . . . . 52 TYR C . 7025 1 620 . 1 1 55 55 TYR CA C 13 56.304 0.05 . 1 . . . . 52 TYR CA . 7025 1 621 . 1 1 55 55 TYR CB C 13 44.374 0.068 . 1 . . . . 52 TYR CB . 7025 1 622 . 1 1 55 55 TYR N N 15 114.075 0.024 . 1 . . . . 52 TYR N . 7025 1 623 . 1 1 56 56 CYS H H 1 8.645 0.007 . 1 . . . . 53 CYS H . 7025 1 624 . 1 1 56 56 CYS HA H 1 5.078 0.03 . 1 . . . . 53 CYS HA . 7025 1 625 . 1 1 56 56 CYS HB2 H 1 2.71 0.03 . 2 . . . . 53 CYS HB2 . 7025 1 626 . 1 1 56 56 CYS HB3 H 1 2.605 0.03 . 2 . . . . 53 CYS HB3 . 7025 1 627 . 1 1 56 56 CYS C C 13 173.594 0.006 . 1 . . . . 53 CYS C . 7025 1 628 . 1 1 56 56 CYS CA C 13 56.626 0.011 . 1 . . . . 53 CYS CA . 7025 1 629 . 1 1 56 56 CYS CB C 13 31.328 0.022 . 1 . . . . 53 CYS CB . 7025 1 630 . 1 1 56 56 CYS N N 15 114.001 0.025 . 1 . . . . 53 CYS N . 7025 1 631 . 1 1 57 57 VAL H H 1 8.92 0.005 . 1 . . . . 54 VAL H . 7025 1 632 . 1 1 57 57 VAL HA H 1 5.151 0.03 . 1 . . . . 54 VAL HA . 7025 1 633 . 1 1 57 57 VAL HB H 1 1.661 0.03 . 1 . . . . 54 VAL HB . 7025 1 634 . 1 1 57 57 VAL HG11 H 1 0.792 0.03 . 2 . . . . 54 VAL HG1 . 7025 1 635 . 1 1 57 57 VAL HG12 H 1 0.792 0.03 . 2 . . . . 54 VAL HG1 . 7025 1 636 . 1 1 57 57 VAL HG13 H 1 0.792 0.03 . 2 . . . . 54 VAL HG1 . 7025 1 637 . 1 1 57 57 VAL HG21 H 1 0.792 0.03 . 2 . . . . 54 VAL HG2 . 7025 1 638 . 1 1 57 57 VAL HG22 H 1 0.792 0.03 . 2 . . . . 54 VAL HG2 . 7025 1 639 . 1 1 57 57 VAL HG23 H 1 0.792 0.03 . 2 . . . . 54 VAL HG2 . 7025 1 640 . 1 1 57 57 VAL C C 13 173.734 0.001 . 1 . . . . 54 VAL C . 7025 1 641 . 1 1 57 57 VAL CA C 13 60.338 0.066 . 1 . . . . 54 VAL CA . 7025 1 642 . 1 1 57 57 VAL CB C 13 35.392 0.023 . 1 . . . . 54 VAL CB . 7025 1 643 . 1 1 57 57 VAL CG1 C 13 22.477 0.3 . 1 . . . . 54 VAL CG1 . 7025 1 644 . 1 1 57 57 VAL CG2 C 13 22.477 0.3 . 1 . . . . 54 VAL CG2 . 7025 1 645 . 1 1 57 57 VAL N N 15 121.617 0.038 . 1 . . . . 54 VAL N . 7025 1 646 . 1 1 58 58 ARG H H 1 8.481 0.009 . 1 . . . . 55 ARG H . 7025 1 647 . 1 1 58 58 ARG HA H 1 4.973 0.001 . 1 . . . . 55 ARG HA . 7025 1 648 . 1 1 58 58 ARG HB2 H 1 1.688 0.03 . 2 . . . . 55 ARG HB2 . 7025 1 649 . 1 1 58 58 ARG HB3 H 1 1.812 0.012 . 2 . . . . 55 ARG HB3 . 7025 1 650 . 1 1 58 58 ARG HG2 H 1 1.586 0.03 . 2 . . . . 55 ARG HG2 . 7025 1 651 . 1 1 58 58 ARG HG3 H 1 1.633 0.03 . 2 . . . . 55 ARG HG3 . 7025 1 652 . 1 1 58 58 ARG HD2 H 1 3.183 0.004 . 2 . . . . 55 ARG HD2 . 7025 1 653 . 1 1 58 58 ARG HD3 H 1 3.188 0.03 . 2 . . . . 55 ARG HD3 . 7025 1 654 . 1 1 58 58 ARG C C 13 174.615 0.3 . 1 . . . . 55 ARG C . 7025 1 655 . 1 1 58 58 ARG CA C 13 53.071 0.132 . 1 . . . . 55 ARG CA . 7025 1 656 . 1 1 58 58 ARG CB C 13 34.943 0.133 . 1 . . . . 55 ARG CB . 7025 1 657 . 1 1 58 58 ARG N N 15 120.745 0.012 . 1 . . . . 55 ARG N . 7025 1 658 . 1 1 59 59 PRO HA H 1 5.186 0.03 . 1 . . . . 56 PRO HA . 7025 1 659 . 1 1 59 59 PRO HB2 H 1 2.573 0.03 . 2 . . . . 56 PRO HB2 . 7025 1 660 . 1 1 59 59 PRO HB3 H 1 2.47 0.03 . 2 . . . . 56 PRO HB3 . 7025 1 661 . 1 1 59 59 PRO HG2 H 1 2.162 0.03 . 1 . . . . 56 PRO HG2 . 7025 1 662 . 1 1 59 59 PRO HG3 H 1 2.162 0.03 . 1 . . . . 56 PRO HG3 . 7025 1 663 . 1 1 59 59 PRO C C 13 174.775 0.3 . 1 . . . . 56 PRO C . 7025 1 664 . 1 1 59 59 PRO CA C 13 63.489 0.042 . 1 . . . . 56 PRO CA . 7025 1 665 . 1 1 59 59 PRO CB C 13 34.578 0.005 . 1 . . . . 56 PRO CB . 7025 1 666 . 1 1 59 59 PRO CG C 13 24.674 0.3 . 1 . . . . 56 PRO CG . 7025 1 667 . 1 1 60 60 ASN H H 1 8.991 0.006 . 1 . . . . 57 ASN H . 7025 1 668 . 1 1 60 60 ASN HA H 1 4.422 0.03 . 1 . . . . 57 ASN HA . 7025 1 669 . 1 1 60 60 ASN HB2 H 1 2.806 0.03 . 2 . . . . 57 ASN HB2 . 7025 1 670 . 1 1 60 60 ASN HB3 H 1 3.293 0.03 . 2 . . . . 57 ASN HB3 . 7025 1 671 . 1 1 60 60 ASN C C 13 174.822 0.029 . 1 . . . . 57 ASN C . 7025 1 672 . 1 1 60 60 ASN CA C 13 52.596 0.091 . 1 . . . . 57 ASN CA . 7025 1 673 . 1 1 60 60 ASN CB C 13 37.702 0.052 . 1 . . . . 57 ASN CB . 7025 1 674 . 1 1 60 60 ASN N N 15 114.492 0.025 . 1 . . . . 57 ASN N . 7025 1 675 . 1 1 61 61 SER H H 1 7.509 0.007 . 1 . . . . 58 SER H . 7025 1 676 . 1 1 61 61 SER HA H 1 4.104 0.03 . 1 . . . . 58 SER HA . 7025 1 677 . 1 1 61 61 SER HB2 H 1 3.717 0.03 . 2 . . . . 58 SER HB2 . 7025 1 678 . 1 1 61 61 SER HB3 H 1 3.889 0.03 . 2 . . . . 58 SER HB3 . 7025 1 679 . 1 1 61 61 SER C C 13 172.615 0.004 . 1 . . . . 58 SER C . 7025 1 680 . 1 1 61 61 SER CA C 13 56.622 0.041 . 1 . . . . 58 SER CA . 7025 1 681 . 1 1 61 61 SER CB C 13 64.639 0.06 . 1 . . . . 58 SER CB . 7025 1 682 . 1 1 61 61 SER N N 15 110.192 0.015 . 1 . . . . 58 SER N . 7025 1 683 . 1 1 62 62 GLY H H 1 6.997 0.006 . 1 . . . . 59 GLY H . 7025 1 684 . 1 1 62 62 GLY HA2 H 1 3.796 0.03 . 2 . . . . 59 GLY HA2 . 7025 1 685 . 1 1 62 62 GLY HA3 H 1 3.909 0.03 . 2 . . . . 59 GLY HA3 . 7025 1 686 . 1 1 62 62 GLY C C 13 170.535 0.005 . 1 . . . . 59 GLY C . 7025 1 687 . 1 1 62 62 GLY CA C 13 45.843 0.021 . 1 . . . . 59 GLY CA . 7025 1 688 . 1 1 62 62 GLY N N 15 104.605 0.021 . 1 . . . . 59 GLY N . 7025 1 689 . 1 1 63 63 ILE H H 1 8.454 0.005 . 1 . . . . 60 ILE H . 7025 1 690 . 1 1 63 63 ILE HA H 1 4.92 0.03 . 1 . . . . 60 ILE HA . 7025 1 691 . 1 1 63 63 ILE HB H 1 1.663 0.03 . 1 . . . . 60 ILE HB . 7025 1 692 . 1 1 63 63 ILE HG12 H 1 1.067 0.03 . 2 . . . . 60 ILE HG12 . 7025 1 693 . 1 1 63 63 ILE HG13 H 1 1.589 0.03 . 2 . . . . 60 ILE HG13 . 7025 1 694 . 1 1 63 63 ILE HG21 H 1 0.772 0.03 . 1 . . . . 60 ILE HG2 . 7025 1 695 . 1 1 63 63 ILE HG22 H 1 0.772 0.03 . 1 . . . . 60 ILE HG2 . 7025 1 696 . 1 1 63 63 ILE HG23 H 1 0.772 0.03 . 1 . . . . 60 ILE HG2 . 7025 1 697 . 1 1 63 63 ILE HD11 H 1 0.798 0.03 . 1 . . . . 60 ILE HD1 . 7025 1 698 . 1 1 63 63 ILE HD12 H 1 0.798 0.03 . 1 . . . . 60 ILE HD1 . 7025 1 699 . 1 1 63 63 ILE HD13 H 1 0.798 0.03 . 1 . . . . 60 ILE HD1 . 7025 1 700 . 1 1 63 63 ILE C C 13 175.027 0.3 . 1 . . . . 60 ILE C . 7025 1 701 . 1 1 63 63 ILE CA C 13 60.583 0.043 . 1 . . . . 60 ILE CA . 7025 1 702 . 1 1 63 63 ILE CB C 13 41.01 0.015 . 1 . . . . 60 ILE CB . 7025 1 703 . 1 1 63 63 ILE CG1 C 13 27.957 0.3 . 1 . . . . 60 ILE CG1 . 7025 1 704 . 1 1 63 63 ILE CG2 C 13 17.392 0.3 . 1 . . . . 60 ILE CG2 . 7025 1 705 . 1 1 63 63 ILE CD1 C 13 14.1 0.3 . 1 . . . . 60 ILE CD1 . 7025 1 706 . 1 1 63 63 ILE N N 15 120.092 0.014 . 1 . . . . 60 ILE N . 7025 1 707 . 1 1 64 64 ILE H H 1 9.494 0.005 . 1 . . . . 61 ILE H . 7025 1 708 . 1 1 64 64 ILE HA H 1 4.418 0.03 . 1 . . . . 61 ILE HA . 7025 1 709 . 1 1 64 64 ILE HB H 1 1.556 0.014 . 1 . . . . 61 ILE HB . 7025 1 710 . 1 1 64 64 ILE HG12 H 1 0.839 0.03 . 2 . . . . 61 ILE HG12 . 7025 1 711 . 1 1 64 64 ILE HG21 H 1 0.986 0.009 . 1 . . . . 61 ILE HG2 . 7025 1 712 . 1 1 64 64 ILE HG22 H 1 0.986 0.009 . 1 . . . . 61 ILE HG2 . 7025 1 713 . 1 1 64 64 ILE HG23 H 1 0.986 0.009 . 1 . . . . 61 ILE HG2 . 7025 1 714 . 1 1 64 64 ILE HD11 H 1 0.451 0.004 . 1 . . . . 61 ILE HD1 . 7025 1 715 . 1 1 64 64 ILE HD12 H 1 0.451 0.004 . 1 . . . . 61 ILE HD1 . 7025 1 716 . 1 1 64 64 ILE HD13 H 1 0.451 0.004 . 1 . . . . 61 ILE HD1 . 7025 1 717 . 1 1 64 64 ILE C C 13 176.329 0.001 . 1 . . . . 61 ILE C . 7025 1 718 . 1 1 64 64 ILE CA C 13 60.483 0.038 . 1 . . . . 61 ILE CA . 7025 1 719 . 1 1 64 64 ILE CB C 13 40.306 0.094 . 1 . . . . 61 ILE CB . 7025 1 720 . 1 1 64 64 ILE CG1 C 13 26.672 0.3 . 1 . . . . 61 ILE CG1 . 7025 1 721 . 1 1 64 64 ILE CG2 C 13 19.149 0.071 . 1 . . . . 61 ILE CG2 . 7025 1 722 . 1 1 64 64 ILE CD1 C 13 15.81 0.3 . 1 . . . . 61 ILE CD1 . 7025 1 723 . 1 1 64 64 ILE N N 15 127.131 0.031 . 1 . . . . 61 ILE N . 7025 1 724 . 1 1 65 65 ASP H H 1 8.884 0.008 . 1 . . . . 62 ASP H . 7025 1 725 . 1 1 65 65 ASP HA H 1 4.683 0.003 . 1 . . . . 62 ASP HA . 7025 1 726 . 1 1 65 65 ASP HB2 H 1 2.581 0.03 . 2 . . . . 62 ASP HB2 . 7025 1 727 . 1 1 65 65 ASP HB3 H 1 2.544 0.03 . 2 . . . . 62 ASP HB3 . 7025 1 728 . 1 1 65 65 ASP C C 13 174.146 0.3 . 1 . . . . 62 ASP C . 7025 1 729 . 1 1 65 65 ASP CA C 13 54.747 0.104 . 1 . . . . 62 ASP CA . 7025 1 730 . 1 1 65 65 ASP CB C 13 39.244 0.3 . 1 . . . . 62 ASP CB . 7025 1 731 . 1 1 65 65 ASP N N 15 130.514 0.047 . 1 . . . . 62 ASP N . 7025 1 732 . 1 1 66 66 PRO HA H 1 3.986 0.005 . 1 . . . . 63 PRO HA . 7025 1 733 . 1 1 66 66 PRO HB2 H 1 1.837 0.03 . 2 . . . . 63 PRO HB2 . 7025 1 734 . 1 1 66 66 PRO HB3 H 1 2.228 0.03 . 2 . . . . 63 PRO HB3 . 7025 1 735 . 1 1 66 66 PRO HG2 H 1 1.429 0.017 . 2 . . . . 63 PRO HG2 . 7025 1 736 . 1 1 66 66 PRO HG3 H 1 1.986 0.03 . 2 . . . . 63 PRO HG3 . 7025 1 737 . 1 1 66 66 PRO C C 13 177.804 0.3 . 1 . . . . 63 PRO C . 7025 1 738 . 1 1 66 66 PRO CA C 13 64.462 0.186 . 1 . . . . 63 PRO CA . 7025 1 739 . 1 1 66 66 PRO CB C 13 32.234 0.075 . 1 . . . . 63 PRO CB . 7025 1 740 . 1 1 66 66 PRO CG C 13 27.243 0.3 . 1 . . . . 63 PRO CG . 7025 1 741 . 1 1 67 67 GLY H H 1 8.219 0.008 . 1 . . . . 64 GLY H . 7025 1 742 . 1 1 67 67 GLY HA2 H 1 3.864 0.03 . 2 . . . . 64 GLY HA2 . 7025 1 743 . 1 1 67 67 GLY HA3 H 1 4.054 0.03 . 2 . . . . 64 GLY HA3 . 7025 1 744 . 1 1 67 67 GLY C C 13 174.795 0.002 . 1 . . . . 64 GLY C . 7025 1 745 . 1 1 67 67 GLY CA C 13 46.806 0.069 . 1 . . . . 64 GLY CA . 7025 1 746 . 1 1 67 67 GLY N N 15 114.598 0.048 . 1 . . . . 64 GLY N . 7025 1 747 . 1 1 68 68 SER H H 1 7.809 0.004 . 1 . . . . 65 SER H . 7025 1 748 . 1 1 68 68 SER HA H 1 4.654 0.03 . 1 . . . . 65 SER HA . 7025 1 749 . 1 1 68 68 SER HB2 H 1 3.861 0.03 . 2 . . . . 65 SER HB2 . 7025 1 750 . 1 1 68 68 SER HB3 H 1 3.885 0.03 . 2 . . . . 65 SER HB3 . 7025 1 751 . 1 1 68 68 SER C C 13 171.97 0.002 . 1 . . . . 65 SER C . 7025 1 752 . 1 1 68 68 SER CA C 13 58.605 0.041 . 1 . . . . 65 SER CA . 7025 1 753 . 1 1 68 68 SER CB C 13 64.857 0.069 . 1 . . . . 65 SER CB . 7025 1 754 . 1 1 68 68 SER N N 15 115.827 0.013 . 1 . . . . 65 SER N . 7025 1 755 . 1 1 69 69 THR H H 1 8.221 0.014 . 1 . . . . 66 THR H . 7025 1 756 . 1 1 69 69 THR HA H 1 5.352 0.03 . 1 . . . . 66 THR HA . 7025 1 757 . 1 1 69 69 THR HB H 1 3.765 0.03 . 1 . . . . 66 THR HB . 7025 1 758 . 1 1 69 69 THR HG21 H 1 0.885 0.03 . 1 . . . . 66 THR HG2 . 7025 1 759 . 1 1 69 69 THR HG22 H 1 0.885 0.03 . 1 . . . . 66 THR HG2 . 7025 1 760 . 1 1 69 69 THR HG23 H 1 0.885 0.03 . 1 . . . . 66 THR HG2 . 7025 1 761 . 1 1 69 69 THR C C 13 174.314 0.006 . 1 . . . . 66 THR C . 7025 1 762 . 1 1 69 69 THR CA C 13 61.113 0.023 . 1 . . . . 66 THR CA . 7025 1 763 . 1 1 69 69 THR CB C 13 71.552 0.023 . 1 . . . . 66 THR CB . 7025 1 764 . 1 1 69 69 THR CG2 C 13 21.021 0.3 . 1 . . . . 66 THR CG2 . 7025 1 765 . 1 1 69 69 THR N N 15 116.085 0.075 . 1 . . . . 66 THR N . 7025 1 766 . 1 1 70 70 VAL H H 1 8.911 0.006 . 1 . . . . 67 VAL H . 7025 1 767 . 1 1 70 70 VAL HA H 1 4.401 0.03 . 1 . . . . 67 VAL HA . 7025 1 768 . 1 1 70 70 VAL HB H 1 1.733 0.03 . 1 . . . . 67 VAL HB . 7025 1 769 . 1 1 70 70 VAL HG11 H 1 0.784 0.03 . 2 . . . . 67 VAL HG1 . 7025 1 770 . 1 1 70 70 VAL HG12 H 1 0.784 0.03 . 2 . . . . 67 VAL HG1 . 7025 1 771 . 1 1 70 70 VAL HG13 H 1 0.784 0.03 . 2 . . . . 67 VAL HG1 . 7025 1 772 . 1 1 70 70 VAL HG21 H 1 0.798 0.03 . 2 . . . . 67 VAL HG2 . 7025 1 773 . 1 1 70 70 VAL HG22 H 1 0.798 0.03 . 2 . . . . 67 VAL HG2 . 7025 1 774 . 1 1 70 70 VAL HG23 H 1 0.798 0.03 . 2 . . . . 67 VAL HG2 . 7025 1 775 . 1 1 70 70 VAL C C 13 173.751 0.001 . 1 . . . . 67 VAL C . 7025 1 776 . 1 1 70 70 VAL CA C 13 60.706 0.072 . 1 . . . . 67 VAL CA . 7025 1 777 . 1 1 70 70 VAL CB C 13 35.528 0.191 . 1 . . . . 67 VAL CB . 7025 1 778 . 1 1 70 70 VAL CG1 C 13 20.971 0.3 . 2 . . . . 67 VAL CG1 . 7025 1 779 . 1 1 70 70 VAL CG2 C 13 22.333 0.3 . 2 . . . . 67 VAL CG2 . 7025 1 780 . 1 1 70 70 VAL N N 15 125.295 0.017 . 1 . . . . 67 VAL N . 7025 1 781 . 1 1 71 71 THR H H 1 8.406 0.009 . 1 . . . . 68 THR H . 7025 1 782 . 1 1 71 71 THR HA H 1 4.62 0.03 . 1 . . . . 68 THR HA . 7025 1 783 . 1 1 71 71 THR HG21 H 1 0.897 0.03 . 1 . . . . 68 THR HG2 . 7025 1 784 . 1 1 71 71 THR HG22 H 1 0.897 0.03 . 1 . . . . 68 THR HG2 . 7025 1 785 . 1 1 71 71 THR HG23 H 1 0.897 0.03 . 1 . . . . 68 THR HG2 . 7025 1 786 . 1 1 71 71 THR C C 13 173.308 0.001 . 1 . . . . 68 THR C . 7025 1 787 . 1 1 71 71 THR CA C 13 62.355 0.066 . 1 . . . . 68 THR CA . 7025 1 788 . 1 1 71 71 THR CB C 13 69.332 0.019 . 1 . . . . 68 THR CB . 7025 1 789 . 1 1 71 71 THR CG2 C 13 21.594 0.3 . 1 . . . . 68 THR CG2 . 7025 1 790 . 1 1 71 71 THR N N 15 121.785 0.07 . 1 . . . . 68 THR N . 7025 1 791 . 1 1 72 72 VAL H H 1 9.403 0.004 . 1 . . . . 69 VAL H . 7025 1 792 . 1 1 72 72 VAL HA H 1 4.374 0.03 . 1 . . . . 69 VAL HA . 7025 1 793 . 1 1 72 72 VAL HB H 1 1.979 0.03 . 1 . . . . 69 VAL HB . 7025 1 794 . 1 1 72 72 VAL HG11 H 1 0.618 0.03 . 2 . . . . 69 VAL HG1 . 7025 1 795 . 1 1 72 72 VAL HG12 H 1 0.618 0.03 . 2 . . . . 69 VAL HG1 . 7025 1 796 . 1 1 72 72 VAL HG13 H 1 0.618 0.03 . 2 . . . . 69 VAL HG1 . 7025 1 797 . 1 1 72 72 VAL HG21 H 1 0.724 0.03 . 2 . . . . 69 VAL HG2 . 7025 1 798 . 1 1 72 72 VAL HG22 H 1 0.724 0.03 . 2 . . . . 69 VAL HG2 . 7025 1 799 . 1 1 72 72 VAL HG23 H 1 0.724 0.03 . 2 . . . . 69 VAL HG2 . 7025 1 800 . 1 1 72 72 VAL C C 13 175.088 0.3 . 1 . . . . 69 VAL C . 7025 1 801 . 1 1 72 72 VAL CA C 13 60.872 0.047 . 1 . . . . 69 VAL CA . 7025 1 802 . 1 1 72 72 VAL CB C 13 33.54 0.008 . 1 . . . . 69 VAL CB . 7025 1 803 . 1 1 72 72 VAL CG1 C 13 21.179 0.3 . 2 . . . . 69 VAL CG1 . 7025 1 804 . 1 1 72 72 VAL CG2 C 13 21.705 0.3 . 2 . . . . 69 VAL CG2 . 7025 1 805 . 1 1 72 72 VAL N N 15 128.78 0.016 . 1 . . . . 69 VAL N . 7025 1 806 . 1 1 73 73 SER H H 1 8.603 0.006 . 1 . . . . 70 SER H . 7025 1 807 . 1 1 73 73 SER HA H 1 4.804 0.03 . 1 . . . . 70 SER HA . 7025 1 808 . 1 1 73 73 SER HB2 H 1 3.8 0.03 . 2 . . . . 70 SER HB2 . 7025 1 809 . 1 1 73 73 SER HB3 H 1 3.81 0.03 . 2 . . . . 70 SER HB3 . 7025 1 810 . 1 1 73 73 SER C C 13 172.889 0.006 . 1 . . . . 70 SER C . 7025 1 811 . 1 1 73 73 SER CA C 13 58.012 0.08 . 1 . . . . 70 SER CA . 7025 1 812 . 1 1 73 73 SER CB C 13 64.259 0.074 . 1 . . . . 70 SER CB . 7025 1 813 . 1 1 73 73 SER N N 15 122.755 0.042 . 1 . . . . 70 SER N . 7025 1 814 . 1 1 74 74 VAL H H 1 8.854 0.006 . 1 . . . . 71 VAL H . 7025 1 815 . 1 1 74 74 VAL HA H 1 4.398 0.03 . 1 . . . . 71 VAL HA . 7025 1 816 . 1 1 74 74 VAL HB H 1 2.092 0.03 . 1 . . . . 71 VAL HB . 7025 1 817 . 1 1 74 74 VAL HG11 H 1 0.478 0.03 . 2 . . . . 71 VAL HG1 . 7025 1 818 . 1 1 74 74 VAL HG12 H 1 0.478 0.03 . 2 . . . . 71 VAL HG1 . 7025 1 819 . 1 1 74 74 VAL HG13 H 1 0.478 0.03 . 2 . . . . 71 VAL HG1 . 7025 1 820 . 1 1 74 74 VAL HG21 H 1 0.759 0.03 . 2 . . . . 71 VAL HG2 . 7025 1 821 . 1 1 74 74 VAL HG22 H 1 0.759 0.03 . 2 . . . . 71 VAL HG2 . 7025 1 822 . 1 1 74 74 VAL HG23 H 1 0.759 0.03 . 2 . . . . 71 VAL HG2 . 7025 1 823 . 1 1 74 74 VAL C C 13 174.529 0.008 . 1 . . . . 71 VAL C . 7025 1 824 . 1 1 74 74 VAL CA C 13 62.559 0.035 . 1 . . . . 71 VAL CA . 7025 1 825 . 1 1 74 74 VAL CB C 13 31.772 0.054 . 1 . . . . 71 VAL CB . 7025 1 826 . 1 1 74 74 VAL CG1 C 13 19.684 0.3 . 2 . . . . 71 VAL CG1 . 7025 1 827 . 1 1 74 74 VAL CG2 C 13 23.603 0.3 . 2 . . . . 71 VAL CG2 . 7025 1 828 . 1 1 74 74 VAL N N 15 126.891 0.027 . 1 . . . . 71 VAL N . 7025 1 829 . 1 1 75 75 MET H H 1 9.353 0.007 . 1 . . . . 72 MET H . 7025 1 830 . 1 1 75 75 MET HA H 1 5.027 0.03 . 1 . . . . 72 MET HA . 7025 1 831 . 1 1 75 75 MET HG2 H 1 2.221 0.03 . 2 . . . . 72 MET HG2 . 7025 1 832 . 1 1 75 75 MET HG3 H 1 2.607 0.03 . 2 . . . . 72 MET HG3 . 7025 1 833 . 1 1 75 75 MET C C 13 174.899 0.3 . 1 . . . . 72 MET C . 7025 1 834 . 1 1 75 75 MET CA C 13 54.985 0.031 . 1 . . . . 72 MET CA . 7025 1 835 . 1 1 75 75 MET CB C 13 34.459 0.3 . 1 . . . . 72 MET CB . 7025 1 836 . 1 1 75 75 MET CG C 13 32.314 0.3 . 1 . . . . 72 MET CG . 7025 1 837 . 1 1 75 75 MET N N 15 126.459 0.043 . 1 . . . . 72 MET N . 7025 1 838 . 1 1 76 76 LEU H H 1 9.383 0.006 . 1 . . . . 73 LEU H . 7025 1 839 . 1 1 76 76 LEU HA H 1 4.268 0.012 . 1 . . . . 73 LEU HA . 7025 1 840 . 1 1 76 76 LEU HB2 H 1 1.901 0.03 . 1 . . . . 73 LEU HB2 . 7025 1 841 . 1 1 76 76 LEU HG H 1 1.428 0.004 . 1 . . . . 73 LEU HG . 7025 1 842 . 1 1 76 76 LEU HD11 H 1 0.073 0.015 . 2 . . . . 73 LEU HD1 . 7025 1 843 . 1 1 76 76 LEU HD12 H 1 0.073 0.015 . 2 . . . . 73 LEU HD1 . 7025 1 844 . 1 1 76 76 LEU HD13 H 1 0.073 0.015 . 2 . . . . 73 LEU HD1 . 7025 1 845 . 1 1 76 76 LEU HD21 H 1 0.398 0.003 . 2 . . . . 73 LEU HD2 . 7025 1 846 . 1 1 76 76 LEU HD22 H 1 0.398 0.003 . 2 . . . . 73 LEU HD2 . 7025 1 847 . 1 1 76 76 LEU HD23 H 1 0.398 0.003 . 2 . . . . 73 LEU HD2 . 7025 1 848 . 1 1 76 76 LEU C C 13 175.858 0.009 . 1 . . . . 73 LEU C . 7025 1 849 . 1 1 76 76 LEU CA C 13 54.28 0.066 . 1 . . . . 73 LEU CA . 7025 1 850 . 1 1 76 76 LEU CB C 13 43.507 0.07 . 1 . . . . 73 LEU CB . 7025 1 851 . 1 1 76 76 LEU CD1 C 13 21.821 0.038 . 2 . . . . 73 LEU CD1 . 7025 1 852 . 1 1 76 76 LEU CD2 C 13 28.874 0.095 . 2 . . . . 73 LEU CD2 . 7025 1 853 . 1 1 76 76 LEU N N 15 130.042 0.021 . 1 . . . . 73 LEU N . 7025 1 854 . 1 1 77 77 GLN H H 1 7.987 0.007 . 1 . . . . 74 GLN H . 7025 1 855 . 1 1 77 77 GLN HE21 H 1 6.555 0.03 . 2 . . . . 74 GLN HE22 . 7025 1 856 . 1 1 77 77 GLN HE22 H 1 7.095 0.03 . 2 . . . . 74 GLN HE23 . 7025 1 857 . 1 1 77 77 GLN C C 13 173.236 0.3 . 1 . . . . 74 GLN C . 7025 1 858 . 1 1 77 77 GLN CA C 13 54.005 0.3 . 1 . . . . 74 GLN CA . 7025 1 859 . 1 1 77 77 GLN CB C 13 27.342 0.3 . 1 . . . . 74 GLN CB . 7025 1 860 . 1 1 77 77 GLN N N 15 125.469 0.026 . 1 . . . . 74 GLN N . 7025 1 861 . 1 1 77 77 GLN NE2 N 15 113.392 0.2 . 1 . . . . 74 GLN NE2 . 7025 1 862 . 1 1 78 78 PRO HA H 1 4.58 0.03 . 1 . . . . 75 PRO HA . 7025 1 863 . 1 1 78 78 PRO HB2 H 1 1.723 0.03 . 2 . . . . 75 PRO HB2 . 7025 1 864 . 1 1 78 78 PRO HB3 H 1 1.715 0.03 . 2 . . . . 75 PRO HB3 . 7025 1 865 . 1 1 78 78 PRO HG2 H 1 1.579 0.03 . 2 . . . . 75 PRO HG2 . 7025 1 866 . 1 1 78 78 PRO HG3 H 1 1.961 0.03 . 2 . . . . 75 PRO HG3 . 7025 1 867 . 1 1 78 78 PRO HD2 H 1 3.313 0.03 . 1 . . . . 75 PRO HD2 . 7025 1 868 . 1 1 78 78 PRO HD3 H 1 3.313 0.03 . 1 . . . . 75 PRO HD3 . 7025 1 869 . 1 1 78 78 PRO C C 13 176.05 0.3 . 1 . . . . 75 PRO C . 7025 1 870 . 1 1 78 78 PRO CA C 13 63.454 0.01 . 1 . . . . 75 PRO CA . 7025 1 871 . 1 1 78 78 PRO CB C 13 32.194 0.051 . 1 . . . . 75 PRO CB . 7025 1 872 . 1 1 78 78 PRO CG C 13 27.6 0.3 . 1 . . . . 75 PRO CG . 7025 1 873 . 1 1 79 79 PHE H H 1 8.122 0.005 . 1 . . . . 76 PHE H . 7025 1 874 . 1 1 79 79 PHE HA H 1 4.644 0.03 . 1 . . . . 76 PHE HA . 7025 1 875 . 1 1 79 79 PHE HB2 H 1 2.753 0.03 . 2 . . . . 76 PHE HB2 . 7025 1 876 . 1 1 79 79 PHE HB3 H 1 2.956 0.03 . 2 . . . . 76 PHE HB3 . 7025 1 877 . 1 1 79 79 PHE HD1 H 1 7.131 0.012 . 3 . . . . 76 PHE HD2 . 7025 1 878 . 1 1 79 79 PHE HD2 H 1 7.138 0.01 . 3 . . . . 76 PHE HD3 . 7025 1 879 . 1 1 79 79 PHE HE1 H 1 6.737 0.001 . 3 . . . . 76 PHE HE2 . 7025 1 880 . 1 1 79 79 PHE HE2 H 1 6.736 0.001 . 3 . . . . 76 PHE HE3 . 7025 1 881 . 1 1 79 79 PHE HZ H 1 7.039 0.03 . 1 . . . . 76 PHE HZ . 7025 1 882 . 1 1 79 79 PHE C C 13 172.601 0.003 . 1 . . . . 76 PHE C . 7025 1 883 . 1 1 79 79 PHE CA C 13 55.718 0.159 . 1 . . . . 76 PHE CA . 7025 1 884 . 1 1 79 79 PHE CB C 13 39.532 0.021 . 1 . . . . 76 PHE CB . 7025 1 885 . 1 1 79 79 PHE N N 15 117.977 0.018 . 1 . . . . 76 PHE N . 7025 1 886 . 1 1 80 80 ASP H H 1 8.366 0.009 . 1 . . . . 77 ASP H . 7025 1 887 . 1 1 80 80 ASP HA H 1 4.472 0.03 . 1 . . . . 77 ASP HA . 7025 1 888 . 1 1 80 80 ASP HB2 H 1 2.436 0.03 . 2 . . . . 77 ASP HB2 . 7025 1 889 . 1 1 80 80 ASP HB3 H 1 2.564 0.03 . 2 . . . . 77 ASP HB3 . 7025 1 890 . 1 1 80 80 ASP C C 13 174.177 0.01 . 1 . . . . 77 ASP C . 7025 1 891 . 1 1 80 80 ASP CA C 13 53.35 0.081 . 1 . . . . 77 ASP CA . 7025 1 892 . 1 1 80 80 ASP CB C 13 40.047 0.102 . 1 . . . . 77 ASP CB . 7025 1 893 . 1 1 80 80 ASP N N 15 120.321 0.036 . 1 . . . . 77 ASP N . 7025 1 894 . 1 1 81 81 TYR H H 1 7.696 0.008 . 1 . . . . 78 TYR H . 7025 1 895 . 1 1 81 81 TYR HA H 1 4.07 0.03 . 1 . . . . 78 TYR HA . 7025 1 896 . 1 1 81 81 TYR HB2 H 1 2.319 0.03 . 2 . . . . 78 TYR HB2 . 7025 1 897 . 1 1 81 81 TYR HB3 H 1 2.59 0.03 . 2 . . . . 78 TYR HB3 . 7025 1 898 . 1 1 81 81 TYR HD1 H 1 6.924 0.004 . 3 . . . . 78 TYR HD2 . 7025 1 899 . 1 1 81 81 TYR HD2 H 1 6.927 0.001 . 3 . . . . 78 TYR HD3 . 7025 1 900 . 1 1 81 81 TYR HE1 H 1 6.746 0.003 . 3 . . . . 78 TYR HE2 . 7025 1 901 . 1 1 81 81 TYR HE2 H 1 6.748 0.004 . 3 . . . . 78 TYR HE3 . 7025 1 902 . 1 1 81 81 TYR C C 13 173.945 0.004 . 1 . . . . 78 TYR C . 7025 1 903 . 1 1 81 81 TYR CA C 13 58.355 0.085 . 1 . . . . 78 TYR CA . 7025 1 904 . 1 1 81 81 TYR CB C 13 39.275 0.012 . 1 . . . . 78 TYR CB . 7025 1 905 . 1 1 81 81 TYR N N 15 126.833 0.018 . 1 . . . . 78 TYR N . 7025 1 906 . 1 1 82 82 ASP H H 1 8.151 0.019 . 1 . . . . 79 ASP H . 7025 1 907 . 1 1 82 82 ASP HA H 1 4.733 0.003 . 1 . . . . 79 ASP HA . 7025 1 908 . 1 1 82 82 ASP HB2 H 1 2.716 0.002 . 2 . . . . 79 ASP HB2 . 7025 1 909 . 1 1 82 82 ASP HB3 H 1 2.43 0.03 . 2 . . . . 79 ASP HB3 . 7025 1 910 . 1 1 82 82 ASP C C 13 174.651 0.3 . 1 . . . . 79 ASP C . 7025 1 911 . 1 1 82 82 ASP CA C 13 49.536 0.158 . 1 . . . . 79 ASP CA . 7025 1 912 . 1 1 82 82 ASP CB C 13 42.817 0.3 . 1 . . . . 79 ASP CB . 7025 1 913 . 1 1 82 82 ASP N N 15 129.135 0.05 . 1 . . . . 79 ASP N . 7025 1 914 . 1 1 83 83 PRO HA H 1 4.043 0.03 . 1 . . . . 80 PRO HA . 7025 1 915 . 1 1 83 83 PRO HB2 H 1 2.301 0.03 . 2 . . . . 80 PRO HB2 . 7025 1 916 . 1 1 83 83 PRO HB3 H 1 1.919 0.03 . 2 . . . . 80 PRO HB3 . 7025 1 917 . 1 1 83 83 PRO HG2 H 1 1.799 0.03 . 2 . . . . 80 PRO HG2 . 7025 1 918 . 1 1 83 83 PRO HG3 H 1 1.971 0.03 . 2 . . . . 80 PRO HG3 . 7025 1 919 . 1 1 83 83 PRO HD2 H 1 3.34 0.03 . 2 . . . . 80 PRO HD2 . 7025 1 920 . 1 1 83 83 PRO HD3 H 1 3.553 0.212 . 2 . . . . 80 PRO HD3 . 7025 1 921 . 1 1 83 83 PRO C C 13 177.015 0.3 . 1 . . . . 80 PRO C . 7025 1 922 . 1 1 83 83 PRO CA C 13 63.724 0.033 . 1 . . . . 80 PRO CA . 7025 1 923 . 1 1 83 83 PRO CB C 13 32.187 0.041 . 1 . . . . 80 PRO CB . 7025 1 924 . 1 1 83 83 PRO CG C 13 26.616 0.3 . 1 . . . . 80 PRO CG . 7025 1 925 . 1 1 83 83 PRO CD C 13 50.97 0.3 . 1 . . . . 80 PRO CD . 7025 1 926 . 1 1 84 84 ASN H H 1 8.34 0.007 . 1 . . . . 81 ASN H . 7025 1 927 . 1 1 84 84 ASN HA H 1 4.57 0.03 . 1 . . . . 81 ASN HA . 7025 1 928 . 1 1 84 84 ASN HB2 H 1 2.703 0.03 . 1 . . . . 81 ASN HB2 . 7025 1 929 . 1 1 84 84 ASN HB3 H 1 2.703 0.03 . 1 . . . . 81 ASN HB3 . 7025 1 930 . 1 1 84 84 ASN HD21 H 1 6.913 0.03 . 2 . . . . 81 ASN HD22 . 7025 1 931 . 1 1 84 84 ASN HD22 H 1 7.876 0.03 . 2 . . . . 81 ASN HD23 . 7025 1 932 . 1 1 84 84 ASN C C 13 175.203 0.004 . 1 . . . . 81 ASN C . 7025 1 933 . 1 1 84 84 ASN CA C 13 53.736 0.143 . 1 . . . . 81 ASN CA . 7025 1 934 . 1 1 84 84 ASN CB C 13 39.018 0.009 . 1 . . . . 81 ASN CB . 7025 1 935 . 1 1 84 84 ASN N N 15 115.526 0.024 . 1 . . . . 81 ASN N . 7025 1 936 . 1 1 84 84 ASN ND2 N 15 115.245 0.2 . 1 . . . . 81 ASN ND2 . 7025 1 937 . 1 1 85 85 GLU H H 1 7.574 0.006 . 1 . . . . 82 GLU H . 7025 1 938 . 1 1 85 85 GLU HA H 1 4.22 0.03 . 1 . . . . 82 GLU HA . 7025 1 939 . 1 1 85 85 GLU HB2 H 1 1.865 0.03 . 2 . . . . 82 GLU HB2 . 7025 1 940 . 1 1 85 85 GLU HB3 H 1 1.896 0.03 . 2 . . . . 82 GLU HB3 . 7025 1 941 . 1 1 85 85 GLU HG2 H 1 2.118 0.03 . 2 . . . . 82 GLU HG2 . 7025 1 942 . 1 1 85 85 GLU HG3 H 1 2.121 0.03 . 2 . . . . 82 GLU HG3 . 7025 1 943 . 1 1 85 85 GLU C C 13 176.008 0.002 . 1 . . . . 82 GLU C . 7025 1 944 . 1 1 85 85 GLU CA C 13 56.039 0.077 . 1 . . . . 82 GLU CA . 7025 1 945 . 1 1 85 85 GLU CB C 13 30.735 0.101 . 1 . . . . 82 GLU CB . 7025 1 946 . 1 1 85 85 GLU CG C 13 35.995 0.3 . 1 . . . . 82 GLU CG . 7025 1 947 . 1 1 85 85 GLU N N 15 121.466 0.012 . 1 . . . . 82 GLU N . 7025 1 948 . 1 1 86 86 LYS H H 1 8.432 0.006 . 1 . . . . 83 LYS H . 7025 1 949 . 1 1 86 86 LYS HA H 1 4.253 0.007 . 1 . . . . 83 LYS HA . 7025 1 950 . 1 1 86 86 LYS HB2 H 1 1.685 0.005 . 1 . . . . 83 LYS HB2 . 7025 1 951 . 1 1 86 86 LYS HB3 H 1 1.685 0.005 . 1 . . . . 83 LYS HB3 . 7025 1 952 . 1 1 86 86 LYS HG2 H 1 1.362 0.03 . 2 . . . . 83 LYS HG2 . 7025 1 953 . 1 1 86 86 LYS HG3 H 1 1.363 0.03 . 2 . . . . 83 LYS HG3 . 7025 1 954 . 1 1 86 86 LYS HD2 H 1 1.594 0.002 . 2 . . . . 83 LYS HD2 . 7025 1 955 . 1 1 86 86 LYS HD3 H 1 1.589 0.008 . 2 . . . . 83 LYS HD3 . 7025 1 956 . 1 1 86 86 LYS HE2 H 1 2.93 0.03 . 2 . . . . 83 LYS HE2 . 7025 1 957 . 1 1 86 86 LYS HE3 H 1 2.921 0.03 . 2 . . . . 83 LYS HE3 . 7025 1 958 . 1 1 86 86 LYS C C 13 176.553 0.005 . 1 . . . . 83 LYS C . 7025 1 959 . 1 1 86 86 LYS CA C 13 56.217 0.263 . 1 . . . . 83 LYS CA . 7025 1 960 . 1 1 86 86 LYS CB C 13 32.475 0.068 . 1 . . . . 83 LYS CB . 7025 1 961 . 1 1 86 86 LYS CG C 13 24.723 0.3 . 1 . . . . 83 LYS CG . 7025 1 962 . 1 1 86 86 LYS CD C 13 29.273 0.112 . 1 . . . . 83 LYS CD . 7025 1 963 . 1 1 86 86 LYS N N 15 125.048 0.006 . 1 . . . . 83 LYS N . 7025 1 964 . 1 1 87 87 SER H H 1 8.228 0.006 . 1 . . . . 84 SER H . 7025 1 965 . 1 1 87 87 SER HA H 1 4.054 0.03 . 1 . . . . 84 SER HA . 7025 1 966 . 1 1 87 87 SER HB2 H 1 3.057 0.03 . 2 . . . . 84 SER HB2 . 7025 1 967 . 1 1 87 87 SER HB3 H 1 3.373 0.03 . 2 . . . . 84 SER HB3 . 7025 1 968 . 1 1 87 87 SER C C 13 175.148 0.003 . 1 . . . . 84 SER C . 7025 1 969 . 1 1 87 87 SER CA C 13 58.676 0.184 . 1 . . . . 84 SER CA . 7025 1 970 . 1 1 87 87 SER CB C 13 63.284 0.076 . 1 . . . . 84 SER CB . 7025 1 971 . 1 1 87 87 SER N N 15 117.226 0.015 . 1 . . . . 84 SER N . 7025 1 972 . 1 1 88 88 LYS H H 1 8.461 0.008 . 1 . . . . 85 LYS H . 7025 1 973 . 1 1 88 88 LYS HA H 1 4.408 0.03 . 1 . . . . 85 LYS HA . 7025 1 974 . 1 1 88 88 LYS HB2 H 1 1.577 0.03 . 2 . . . . 85 LYS HB2 . 7025 1 975 . 1 1 88 88 LYS HB3 H 1 1.833 0.03 . 2 . . . . 85 LYS HB3 . 7025 1 976 . 1 1 88 88 LYS HG2 H 1 1.281 0.03 . 2 . . . . 85 LYS HG2 . 7025 1 977 . 1 1 88 88 LYS HG3 H 1 1.287 0.03 . 2 . . . . 85 LYS HG3 . 7025 1 978 . 1 1 88 88 LYS HD2 H 1 1.577 0.03 . 2 . . . . 85 LYS HD2 . 7025 1 979 . 1 1 88 88 LYS HD3 H 1 1.574 0.03 . 2 . . . . 85 LYS HD3 . 7025 1 980 . 1 1 88 88 LYS HE2 H 1 2.916 0.03 . 2 . . . . 85 LYS HE2 . 7025 1 981 . 1 1 88 88 LYS HE3 H 1 2.914 0.03 . 2 . . . . 85 LYS HE3 . 7025 1 982 . 1 1 88 88 LYS C C 13 176.214 0.004 . 1 . . . . 85 LYS C . 7025 1 983 . 1 1 88 88 LYS CA C 13 55.592 0.122 . 1 . . . . 85 LYS CA . 7025 1 984 . 1 1 88 88 LYS CB C 13 32.867 0.119 . 1 . . . . 85 LYS CB . 7025 1 985 . 1 1 88 88 LYS CG C 13 24.683 0.3 . 1 . . . . 85 LYS CG . 7025 1 986 . 1 1 88 88 LYS CD C 13 29.24 0.3 . 1 . . . . 85 LYS CD . 7025 1 987 . 1 1 88 88 LYS N N 15 124.994 0.022 . 1 . . . . 85 LYS N . 7025 1 988 . 1 1 89 89 HIS H H 1 8.015 0.007 . 1 . . . . 86 HIS H . 7025 1 989 . 1 1 89 89 HIS HA H 1 4.371 0.03 . 1 . . . . 86 HIS HA . 7025 1 990 . 1 1 89 89 HIS HB2 H 1 2.964 0.03 . 2 . . . . 86 HIS HB2 . 7025 1 991 . 1 1 89 89 HIS HB3 H 1 3.125 0.03 . 2 . . . . 86 HIS HB3 . 7025 1 992 . 1 1 89 89 HIS C C 13 175.302 0.005 . 1 . . . . 86 HIS C . 7025 1 993 . 1 1 89 89 HIS CA C 13 55.684 0.117 . 1 . . . . 86 HIS CA . 7025 1 994 . 1 1 89 89 HIS CB C 13 32.199 0.042 . 1 . . . . 86 HIS CB . 7025 1 995 . 1 1 89 89 HIS N N 15 121.181 0.019 . 1 . . . . 86 HIS N . 7025 1 996 . 1 1 90 90 LYS H H 1 8.039 0.006 . 1 . . . . 87 LYS H . 7025 1 997 . 1 1 90 90 LYS HA H 1 5.323 0.005 . 1 . . . . 87 LYS HA . 7025 1 998 . 1 1 90 90 LYS HB2 H 1 1.613 0.003 . 2 . . . . 87 LYS HB2 . 7025 1 999 . 1 1 90 90 LYS HB3 H 1 2.013 0.002 . 2 . . . . 87 LYS HB3 . 7025 1 1000 . 1 1 90 90 LYS HG2 H 1 1.481 0.013 . 2 . . . . 87 LYS HG2 . 7025 1 1001 . 1 1 90 90 LYS HG3 H 1 1.483 0.03 . 2 . . . . 87 LYS HG3 . 7025 1 1002 . 1 1 90 90 LYS HD2 H 1 1.667 0.056 . 2 . . . . 87 LYS HD2 . 7025 1 1003 . 1 1 90 90 LYS HD3 H 1 1.668 0.056 . 2 . . . . 87 LYS HD3 . 7025 1 1004 . 1 1 90 90 LYS HE2 H 1 2.932 0.004 . 2 . . . . 87 LYS HE2 . 7025 1 1005 . 1 1 90 90 LYS HE3 H 1 2.936 0.03 . 2 . . . . 87 LYS HE3 . 7025 1 1006 . 1 1 90 90 LYS C C 13 175.517 0.3 . 1 . . . . 87 LYS C . 7025 1 1007 . 1 1 90 90 LYS CA C 13 55.038 0.128 . 1 . . . . 87 LYS CA . 7025 1 1008 . 1 1 90 90 LYS CB C 13 38.395 0.089 . 1 . . . . 87 LYS CB . 7025 1 1009 . 1 1 90 90 LYS CG C 13 25.515 0.3 . 1 . . . . 87 LYS CG . 7025 1 1010 . 1 1 90 90 LYS CD C 13 30.095 0.3 . 1 . . . . 87 LYS CD . 7025 1 1011 . 1 1 90 90 LYS CE C 13 42.745 0.3 . 1 . . . . 87 LYS CE . 7025 1 1012 . 1 1 90 90 LYS N N 15 118.488 0.022 . 1 . . . . 87 LYS N . 7025 1 1013 . 1 1 91 91 PHE H H 1 9.319 0.009 . 1 . . . . 88 PHE H . 7025 1 1014 . 1 1 91 91 PHE HA H 1 5.239 0.03 . 1 . . . . 88 PHE HA . 7025 1 1015 . 1 1 91 91 PHE HB2 H 1 2.681 0.03 . 2 . . . . 88 PHE HB2 . 7025 1 1016 . 1 1 91 91 PHE HB3 H 1 2.65 0.03 . 2 . . . . 88 PHE HB3 . 7025 1 1017 . 1 1 91 91 PHE HD1 H 1 6.794 0.002 . 3 . . . . 88 PHE HD2 . 7025 1 1018 . 1 1 91 91 PHE HD2 H 1 6.791 0.03 . 3 . . . . 88 PHE HD3 . 7025 1 1019 . 1 1 91 91 PHE HE1 H 1 6.275 0.001 . 3 . . . . 88 PHE HE2 . 7025 1 1020 . 1 1 91 91 PHE HE2 H 1 6.273 0.03 . 3 . . . . 88 PHE HE3 . 7025 1 1021 . 1 1 91 91 PHE C C 13 174.323 0.003 . 1 . . . . 88 PHE C . 7025 1 1022 . 1 1 91 91 PHE CA C 13 56.92 0.118 . 1 . . . . 88 PHE CA . 7025 1 1023 . 1 1 91 91 PHE CB C 13 45.221 0.053 . 1 . . . . 88 PHE CB . 7025 1 1024 . 1 1 91 91 PHE N N 15 121.075 0.07 . 1 . . . . 88 PHE N . 7025 1 1025 . 1 1 92 92 MET H H 1 8.933 0.009 . 1 . . . . 89 MET H . 7025 1 1026 . 1 1 92 92 MET HA H 1 5.238 0.03 . 1 . . . . 89 MET HA . 7025 1 1027 . 1 1 92 92 MET HB2 H 1 1.03 0.03 . 2 . . . . 89 MET HB2 . 7025 1 1028 . 1 1 92 92 MET HB3 H 1 1.069 0.03 . 2 . . . . 89 MET HB3 . 7025 1 1029 . 1 1 92 92 MET HG2 H 1 1.62 0.03 . 2 . . . . 89 MET HG2 . 7025 1 1030 . 1 1 92 92 MET HG3 H 1 1.825 0.03 . 2 . . . . 89 MET HG3 . 7025 1 1031 . 1 1 92 92 MET C C 13 174.364 0.006 . 1 . . . . 89 MET C . 7025 1 1032 . 1 1 92 92 MET CA C 13 53.951 0.072 . 1 . . . . 89 MET CA . 7025 1 1033 . 1 1 92 92 MET CB C 13 38.187 0.066 . 1 . . . . 89 MET CB . 7025 1 1034 . 1 1 92 92 MET CG C 13 30.709 0.3 . 1 . . . . 89 MET CG . 7025 1 1035 . 1 1 92 92 MET N N 15 120.321 0.066 . 1 . . . . 89 MET N . 7025 1 1036 . 1 1 93 93 VAL H H 1 8.821 0.007 . 1 . . . . 90 VAL H . 7025 1 1037 . 1 1 93 93 VAL HA H 1 4.536 0.03 . 1 . . . . 90 VAL HA . 7025 1 1038 . 1 1 93 93 VAL HB H 1 1.772 0.03 . 1 . . . . 90 VAL HB . 7025 1 1039 . 1 1 93 93 VAL HG11 H 1 0.675 0.03 . 2 . . . . 90 VAL HG1 . 7025 1 1040 . 1 1 93 93 VAL HG12 H 1 0.675 0.03 . 2 . . . . 90 VAL HG1 . 7025 1 1041 . 1 1 93 93 VAL HG13 H 1 0.675 0.03 . 2 . . . . 90 VAL HG1 . 7025 1 1042 . 1 1 93 93 VAL HG21 H 1 0.679 0.03 . 2 . . . . 90 VAL HG2 . 7025 1 1043 . 1 1 93 93 VAL HG22 H 1 0.679 0.03 . 2 . . . . 90 VAL HG2 . 7025 1 1044 . 1 1 93 93 VAL HG23 H 1 0.679 0.03 . 2 . . . . 90 VAL HG2 . 7025 1 1045 . 1 1 93 93 VAL C C 13 174.547 0.3 . 1 . . . . 90 VAL C . 7025 1 1046 . 1 1 93 93 VAL CA C 13 61.587 0.095 . 1 . . . . 90 VAL CA . 7025 1 1047 . 1 1 93 93 VAL CB C 13 32.728 0.081 . 1 . . . . 90 VAL CB . 7025 1 1048 . 1 1 93 93 VAL CG1 C 13 21.055 0.3 . 2 . . . . 90 VAL CG1 . 7025 1 1049 . 1 1 93 93 VAL CG2 C 13 21.057 0.3 . 2 . . . . 90 VAL CG2 . 7025 1 1050 . 1 1 93 93 VAL N N 15 126.778 0.024 . 1 . . . . 90 VAL N . 7025 1 1051 . 1 1 94 94 GLN H H 1 8.921 0.006 . 1 . . . . 91 GLN H . 7025 1 1052 . 1 1 94 94 GLN HA H 1 5.387 0.03 . 1 . . . . 91 GLN HA . 7025 1 1053 . 1 1 94 94 GLN HB2 H 1 1.557 0.03 . 2 . . . . 91 GLN HB2 . 7025 1 1054 . 1 1 94 94 GLN HB3 H 1 1.895 0.03 . 2 . . . . 91 GLN HB3 . 7025 1 1055 . 1 1 94 94 GLN HG2 H 1 2.085 0.03 . 2 . . . . 91 GLN HG2 . 7025 1 1056 . 1 1 94 94 GLN HG3 H 1 2.193 0.03 . 2 . . . . 91 GLN HG3 . 7025 1 1057 . 1 1 94 94 GLN C C 13 175.399 0.004 . 1 . . . . 91 GLN C . 7025 1 1058 . 1 1 94 94 GLN CA C 13 54.239 0.04 . 1 . . . . 91 GLN CA . 7025 1 1059 . 1 1 94 94 GLN CB C 13 32.882 0.119 . 1 . . . . 91 GLN CB . 7025 1 1060 . 1 1 94 94 GLN CG C 13 35.518 0.3 . 1 . . . . 91 GLN CG . 7025 1 1061 . 1 1 94 94 GLN N N 15 129.512 0.026 . 1 . . . . 91 GLN N . 7025 1 1062 . 1 1 95 95 THR H H 1 9.491 0.005 . 1 . . . . 92 THR H . 7025 1 1063 . 1 1 95 95 THR HA H 1 5.839 0.03 . 1 . . . . 92 THR HA . 7025 1 1064 . 1 1 95 95 THR HB H 1 4.001 0.03 . 1 . . . . 92 THR HB . 7025 1 1065 . 1 1 95 95 THR HG21 H 1 1.007 0.03 . 1 . . . . 92 THR HG2 . 7025 1 1066 . 1 1 95 95 THR HG22 H 1 1.007 0.03 . 1 . . . . 92 THR HG2 . 7025 1 1067 . 1 1 95 95 THR HG23 H 1 1.007 0.03 . 1 . . . . 92 THR HG2 . 7025 1 1068 . 1 1 95 95 THR C C 13 172.605 0.003 . 1 . . . . 92 THR C . 7025 1 1069 . 1 1 95 95 THR CA C 13 58.73 0.052 . 1 . . . . 92 THR CA . 7025 1 1070 . 1 1 95 95 THR CB C 13 72.835 0.125 . 1 . . . . 92 THR CB . 7025 1 1071 . 1 1 95 95 THR CG2 C 13 23.882 0.3 . 1 . . . . 92 THR CG2 . 7025 1 1072 . 1 1 95 95 THR N N 15 115.414 0.035 . 1 . . . . 92 THR N . 7025 1 1073 . 1 1 96 96 ILE H H 1 7.948 0.005 . 1 . . . . 93 ILE H . 7025 1 1074 . 1 1 96 96 ILE HA H 1 4.357 0.03 . 1 . . . . 93 ILE HA . 7025 1 1075 . 1 1 96 96 ILE HB H 1 1.624 0.03 . 1 . . . . 93 ILE HB . 7025 1 1076 . 1 1 96 96 ILE HG12 H 1 1.085 0.03 . 2 . . . . 93 ILE HG12 . 7025 1 1077 . 1 1 96 96 ILE HG13 H 1 1.931 0.03 . 2 . . . . 93 ILE HG13 . 7025 1 1078 . 1 1 96 96 ILE HG21 H 1 0.263 0.03 . 1 . . . . 93 ILE HG2 . 7025 1 1079 . 1 1 96 96 ILE HG22 H 1 0.263 0.03 . 1 . . . . 93 ILE HG2 . 7025 1 1080 . 1 1 96 96 ILE HG23 H 1 0.263 0.03 . 1 . . . . 93 ILE HG2 . 7025 1 1081 . 1 1 96 96 ILE HD11 H 1 0.238 0.03 . 1 . . . . 93 ILE HD1 . 7025 1 1082 . 1 1 96 96 ILE HD12 H 1 0.238 0.03 . 1 . . . . 93 ILE HD1 . 7025 1 1083 . 1 1 96 96 ILE HD13 H 1 0.238 0.03 . 1 . . . . 93 ILE HD1 . 7025 1 1084 . 1 1 96 96 ILE C C 13 175.151 0.001 . 1 . . . . 93 ILE C . 7025 1 1085 . 1 1 96 96 ILE CA C 13 59.865 0.094 . 1 . . . . 93 ILE CA . 7025 1 1086 . 1 1 96 96 ILE CB C 13 42.095 0.078 . 1 . . . . 93 ILE CB . 7025 1 1087 . 1 1 96 96 ILE CG1 C 13 26.343 0.03 . 1 . . . . 93 ILE CG1 . 7025 1 1088 . 1 1 96 96 ILE CG2 C 13 16.962 0.03 . 1 . . . . 93 ILE CG2 . 7025 1 1089 . 1 1 96 96 ILE CD1 C 13 13.71 0.03 . 1 . . . . 93 ILE CD1 . 7025 1 1090 . 1 1 96 96 ILE N N 15 112.547 0.015 . 1 . . . . 93 ILE N . 7025 1 1091 . 1 1 97 97 PHE H H 1 8.494 0.007 . 1 . . . . 94 PHE H . 7025 1 1092 . 1 1 97 97 PHE HA H 1 4.547 0.03 . 1 . . . . 94 PHE HA . 7025 1 1093 . 1 1 97 97 PHE HB2 H 1 2.682 0.03 . 2 . . . . 94 PHE HB2 . 7025 1 1094 . 1 1 97 97 PHE HB3 H 1 2.988 0.03 . 2 . . . . 94 PHE HB3 . 7025 1 1095 . 1 1 97 97 PHE HD1 H 1 7.305 0.001 . 3 . . . . 94 PHE HD2 . 7025 1 1096 . 1 1 97 97 PHE HD2 H 1 7.305 0.001 . 3 . . . . 94 PHE HD3 . 7025 1 1097 . 1 1 97 97 PHE HE1 H 1 7.253 0.005 . 3 . . . . 94 PHE HE2 . 7025 1 1098 . 1 1 97 97 PHE HE2 H 1 7.253 0.005 . 3 . . . . 94 PHE HE3 . 7025 1 1099 . 1 1 97 97 PHE C C 13 176.119 0.005 . 1 . . . . 94 PHE C . 7025 1 1100 . 1 1 97 97 PHE CA C 13 60.287 0.199 . 1 . . . . 94 PHE CA . 7025 1 1101 . 1 1 97 97 PHE CB C 13 38.682 0.046 . 1 . . . . 94 PHE CB . 7025 1 1102 . 1 1 97 97 PHE N N 15 123.437 0.042 . 1 . . . . 94 PHE N . 7025 1 1103 . 1 1 98 98 ALA H H 1 8.318 0.006 . 1 . . . . 95 ALA H . 7025 1 1104 . 1 1 98 98 ALA HA H 1 4.211 0.03 . 1 . . . . 95 ALA HA . 7025 1 1105 . 1 1 98 98 ALA HB1 H 1 1.125 0.03 . 1 . . . . 95 ALA HB . 7025 1 1106 . 1 1 98 98 ALA HB2 H 1 1.125 0.03 . 1 . . . . 95 ALA HB . 7025 1 1107 . 1 1 98 98 ALA HB3 H 1 1.125 0.03 . 1 . . . . 95 ALA HB . 7025 1 1108 . 1 1 98 98 ALA C C 13 175.653 0.3 . 1 . . . . 95 ALA C . 7025 1 1109 . 1 1 98 98 ALA CA C 13 50.317 0.3 . 1 . . . . 95 ALA CA . 7025 1 1110 . 1 1 98 98 ALA CB C 13 19.024 0.3 . 1 . . . . 95 ALA CB . 7025 1 1111 . 1 1 98 98 ALA N N 15 125.406 0.025 . 1 . . . . 95 ALA N . 7025 1 1112 . 1 1 99 99 PRO HA H 1 4.719 0.008 . 1 . . . . 96 PRO HA . 7025 1 1113 . 1 1 99 99 PRO HB2 H 1 2.013 0.004 . 2 . . . . 96 PRO HB2 . 7025 1 1114 . 1 1 99 99 PRO HB3 H 1 2.231 0.02 . 2 . . . . 96 PRO HB3 . 7025 1 1115 . 1 1 99 99 PRO HG2 H 1 1.78 0.003 . 2 . . . . 96 PRO HG2 . 7025 1 1116 . 1 1 99 99 PRO HG3 H 1 1.973 0.002 . 2 . . . . 96 PRO HG3 . 7025 1 1117 . 1 1 99 99 PRO HD2 H 1 3.255 0.03 . 2 . . . . 96 PRO HD2 . 7025 1 1118 . 1 1 99 99 PRO HD3 H 1 3.644 0.03 . 2 . . . . 96 PRO HD3 . 7025 1 1119 . 1 1 99 99 PRO CA C 13 61.545 0.066 . 1 . . . . 96 PRO CA . 7025 1 1120 . 1 1 99 99 PRO CB C 13 30.522 0.3 . 1 . . . . 96 PRO CB . 7025 1 1121 . 1 1 99 99 PRO CG C 13 26.753 0.3 . 1 . . . . 96 PRO CG . 7025 1 1122 . 1 1 100 100 PRO HA H 1 4.182 0.03 . 1 . . . . 97 PRO HA . 7025 1 1123 . 1 1 100 100 PRO HB2 H 1 2.256 0.03 . 1 . . . . 97 PRO HB2 . 7025 1 1124 . 1 1 100 100 PRO HB3 H 1 2.256 0.03 . 1 . . . . 97 PRO HB3 . 7025 1 1125 . 1 1 100 100 PRO HG2 H 1 1.81 0.03 . 2 . . . . 97 PRO HG2 . 7025 1 1126 . 1 1 100 100 PRO HG3 H 1 1.935 0.03 . 2 . . . . 97 PRO HG3 . 7025 1 1127 . 1 1 100 100 PRO HD2 H 1 3.631 0.03 . 2 . . . . 97 PRO HD2 . 7025 1 1128 . 1 1 100 100 PRO HD3 H 1 3.632 0.03 . 2 . . . . 97 PRO HD3 . 7025 1 1129 . 1 1 100 100 PRO C C 13 176.83 0.3 . 1 . . . . 97 PRO C . 7025 1 1130 . 1 1 100 100 PRO CA C 13 64.739 0.026 . 1 . . . . 97 PRO CA . 7025 1 1131 . 1 1 100 100 PRO CB C 13 32.002 0.3 . 1 . . . . 97 PRO CB . 7025 1 1132 . 1 1 100 100 PRO CG C 13 27.518 0.3 . 1 . . . . 97 PRO CG . 7025 1 1133 . 1 1 101 101 ASN H H 1 7.849 0.008 . 1 . . . . 98 ASN H . 7025 1 1134 . 1 1 101 101 ASN HA H 1 4.789 0.03 . 1 . . . . 98 ASN HA . 7025 1 1135 . 1 1 101 101 ASN HB2 H 1 2.638 0.03 . 2 . . . . 98 ASN HB2 . 7025 1 1136 . 1 1 101 101 ASN HB3 H 1 2.854 0.03 . 2 . . . . 98 ASN HB3 . 7025 1 1137 . 1 1 101 101 ASN C C 13 175.286 0.003 . 1 . . . . 98 ASN C . 7025 1 1138 . 1 1 101 101 ASN CA C 13 52.468 0.1 . 1 . . . . 98 ASN CA . 7025 1 1139 . 1 1 101 101 ASN CB C 13 38.505 0.047 . 1 . . . . 98 ASN CB . 7025 1 1140 . 1 1 101 101 ASN N N 15 113.569 0.022 . 1 . . . . 98 ASN N . 7025 1 1141 . 1 1 102 102 THR H H 1 8.107 0.01 . 1 . . . . 99 THR H . 7025 1 1142 . 1 1 102 102 THR HA H 1 4.125 0.005 . 1 . . . . 99 THR HA . 7025 1 1143 . 1 1 102 102 THR HB H 1 4.285 0.011 . 1 . . . . 99 THR HB . 7025 1 1144 . 1 1 102 102 THR HG21 H 1 0.907 0.004 . 1 . . . . 99 THR HG2 . 7025 1 1145 . 1 1 102 102 THR HG22 H 1 0.907 0.004 . 1 . . . . 99 THR HG2 . 7025 1 1146 . 1 1 102 102 THR HG23 H 1 0.907 0.004 . 1 . . . . 99 THR HG2 . 7025 1 1147 . 1 1 102 102 THR C C 13 173.706 0.3 . 1 . . . . 99 THR C . 7025 1 1148 . 1 1 102 102 THR CA C 13 61.232 0.088 . 1 . . . . 99 THR CA . 7025 1 1149 . 1 1 102 102 THR CB C 13 68.675 0.142 . 1 . . . . 99 THR CB . 7025 1 1150 . 1 1 102 102 THR CG2 C 13 21.593 0.087 . 1 . . . . 99 THR CG2 . 7025 1 1151 . 1 1 102 102 THR N N 15 115.028 0.044 . 1 . . . . 99 THR N . 7025 1 1152 . 1 1 103 103 SER H H 1 8.268 0.01 . 1 . . . . 100 SER H . 7025 1 1153 . 1 1 103 103 SER HA H 1 4.175 0.03 . 1 . . . . 100 SER HA . 7025 1 1154 . 1 1 103 103 SER HB2 H 1 3.803 0.03 . 1 . . . . 100 SER HB2 . 7025 1 1155 . 1 1 103 103 SER HB3 H 1 3.803 0.03 . 1 . . . . 100 SER HB3 . 7025 1 1156 . 1 1 103 103 SER C C 13 173.835 0.3 . 1 . . . . 100 SER C . 7025 1 1157 . 1 1 103 103 SER CA C 13 60.213 0.125 . 1 . . . . 100 SER CA . 7025 1 1158 . 1 1 103 103 SER CB C 13 63.386 0.13 . 1 . . . . 100 SER CB . 7025 1 1159 . 1 1 103 103 SER N N 15 118.168 0.05 . 1 . . . . 100 SER N . 7025 1 1160 . 1 1 104 104 ASP H H 1 8.014 0.006 . 1 . . . . 101 ASP H . 7025 1 1161 . 1 1 104 104 ASP HA H 1 4.802 0.03 . 1 . . . . 101 ASP HA . 7025 1 1162 . 1 1 104 104 ASP HB2 H 1 2.413 0.03 . 2 . . . . 101 ASP HB2 . 7025 1 1163 . 1 1 104 104 ASP HB3 H 1 2.786 0.03 . 2 . . . . 101 ASP HB3 . 7025 1 1164 . 1 1 104 104 ASP C C 13 176.388 0.01 . 1 . . . . 101 ASP C . 7025 1 1165 . 1 1 104 104 ASP CA C 13 52.56 0.098 . 1 . . . . 101 ASP CA . 7025 1 1166 . 1 1 104 104 ASP CB C 13 41.194 0.023 . 1 . . . . 101 ASP CB . 7025 1 1167 . 1 1 104 104 ASP N N 15 121.748 0.017 . 1 . . . . 101 ASP N . 7025 1 1168 . 1 1 105 105 MET H H 1 8.698 0.011 . 1 . . . . 102 MET H . 7025 1 1169 . 1 1 105 105 MET HA H 1 4.221 0.03 . 1 . . . . 102 MET HA . 7025 1 1170 . 1 1 105 105 MET HB2 H 1 2.073 0.03 . 1 . . . . 102 MET HB2 . 7025 1 1171 . 1 1 105 105 MET HB3 H 1 2.073 0.03 . 1 . . . . 102 MET HB3 . 7025 1 1172 . 1 1 105 105 MET HG2 H 1 2.533 0.03 . 2 . . . . 102 MET HG2 . 7025 1 1173 . 1 1 105 105 MET HG3 H 1 2.727 0.03 . 2 . . . . 102 MET HG3 . 7025 1 1174 . 1 1 105 105 MET C C 13 178.193 0.008 . 1 . . . . 102 MET C . 7025 1 1175 . 1 1 105 105 MET CA C 13 56.576 0.056 . 1 . . . . 102 MET CA . 7025 1 1176 . 1 1 105 105 MET CB C 13 31.098 0.026 . 1 . . . . 102 MET CB . 7025 1 1177 . 1 1 105 105 MET CG C 13 32.317 0.3 . 1 . . . . 102 MET CG . 7025 1 1178 . 1 1 105 105 MET N N 15 123.438 0.076 . 1 . . . . 102 MET N . 7025 1 1179 . 1 1 106 106 GLU H H 1 8.187 0.006 . 1 . . . . 103 GLU H . 7025 1 1180 . 1 1 106 106 GLU HA H 1 4.17 0.03 . 1 . . . . 103 GLU HA . 7025 1 1181 . 1 1 106 106 GLU HB2 H 1 2.074 0.03 . 2 . . . . 103 GLU HB2 . 7025 1 1182 . 1 1 106 106 GLU HB3 H 1 2.046 0.03 . 2 . . . . 103 GLU HB3 . 7025 1 1183 . 1 1 106 106 GLU HG2 H 1 2.294 0.03 . 1 . . . . 103 GLU HG2 . 7025 1 1184 . 1 1 106 106 GLU HG3 H 1 2.294 0.03 . 1 . . . . 103 GLU HG3 . 7025 1 1185 . 1 1 106 106 GLU C C 13 179.416 0.3 . 1 . . . . 103 GLU C . 7025 1 1186 . 1 1 106 106 GLU CA C 13 59.488 0.037 . 1 . . . . 103 GLU CA . 7025 1 1187 . 1 1 106 106 GLU CB C 13 29.09 0.016 . 1 . . . . 103 GLU CB . 7025 1 1188 . 1 1 106 106 GLU CG C 13 36.598 0.3 . 1 . . . . 103 GLU CG . 7025 1 1189 . 1 1 106 106 GLU N N 15 118.766 0.014 . 1 . . . . 103 GLU N . 7025 1 1190 . 1 1 107 107 ALA H H 1 7.446 0.007 . 1 . . . . 104 ALA H . 7025 1 1191 . 1 1 107 107 ALA HA H 1 4.014 0.03 . 1 . . . . 104 ALA HA . 7025 1 1192 . 1 1 107 107 ALA HB1 H 1 1.341 0.03 . 1 . . . . 104 ALA HB . 7025 1 1193 . 1 1 107 107 ALA HB2 H 1 1.341 0.03 . 1 . . . . 104 ALA HB . 7025 1 1194 . 1 1 107 107 ALA HB3 H 1 1.341 0.03 . 1 . . . . 104 ALA HB . 7025 1 1195 . 1 1 107 107 ALA C C 13 179.505 0.001 . 1 . . . . 104 ALA C . 7025 1 1196 . 1 1 107 107 ALA CA C 13 54.568 0.026 . 1 . . . . 104 ALA CA . 7025 1 1197 . 1 1 107 107 ALA CB C 13 18.328 0.017 . 1 . . . . 104 ALA CB . 7025 1 1198 . 1 1 107 107 ALA N N 15 121.859 0.006 . 1 . . . . 104 ALA N . 7025 1 1199 . 1 1 108 108 VAL H H 1 7.337 0.006 . 1 . . . . 105 VAL H . 7025 1 1200 . 1 1 108 108 VAL HA H 1 3.408 0.03 . 1 . . . . 105 VAL HA . 7025 1 1201 . 1 1 108 108 VAL HB H 1 1.937 0.03 . 1 . . . . 105 VAL HB . 7025 1 1202 . 1 1 108 108 VAL HG11 H 1 0.286 0.03 . 2 . . . . 105 VAL HG1 . 7025 1 1203 . 1 1 108 108 VAL HG12 H 1 0.286 0.03 . 2 . . . . 105 VAL HG1 . 7025 1 1204 . 1 1 108 108 VAL HG13 H 1 0.286 0.03 . 2 . . . . 105 VAL HG1 . 7025 1 1205 . 1 1 108 108 VAL HG21 H 1 0.817 0.03 . 2 . . . . 105 VAL HG2 . 7025 1 1206 . 1 1 108 108 VAL HG22 H 1 0.817 0.03 . 2 . . . . 105 VAL HG2 . 7025 1 1207 . 1 1 108 108 VAL HG23 H 1 0.817 0.03 . 2 . . . . 105 VAL HG2 . 7025 1 1208 . 1 1 108 108 VAL C C 13 178.489 0.004 . 1 . . . . 105 VAL C . 7025 1 1209 . 1 1 108 108 VAL CA C 13 65.649 0.016 . 1 . . . . 105 VAL CA . 7025 1 1210 . 1 1 108 108 VAL CB C 13 31.179 0.083 . 1 . . . . 105 VAL CB . 7025 1 1211 . 1 1 108 108 VAL CG1 C 13 20.918 0.3 . 2 . . . . 105 VAL CG1 . 7025 1 1212 . 1 1 108 108 VAL CG2 C 13 22.733 0.3 . 2 . . . . 105 VAL CG2 . 7025 1 1213 . 1 1 108 108 VAL N N 15 117.247 0.008 . 1 . . . . 105 VAL N . 7025 1 1214 . 1 1 109 109 TRP H H 1 7.365 0.008 . 1 . . . . 106 TRP H . 7025 1 1215 . 1 1 109 109 TRP HA H 1 4.219 0.03 . 1 . . . . 106 TRP HA . 7025 1 1216 . 1 1 109 109 TRP HB2 H 1 3.03 0.03 . 2 . . . . 106 TRP HB2 . 7025 1 1217 . 1 1 109 109 TRP HB3 H 1 3.252 0.03 . 2 . . . . 106 TRP HB3 . 7025 1 1218 . 1 1 109 109 TRP HD1 H 1 7.241 0.03 . 1 . . . . 106 TRP HD1 . 7025 1 1219 . 1 1 109 109 TRP HZ2 H 1 6.858 0.03 . 1 . . . . 106 TRP HZ2 . 7025 1 1220 . 1 1 109 109 TRP C C 13 178.992 0.3 . 1 . . . . 106 TRP C . 7025 1 1221 . 1 1 109 109 TRP CA C 13 59.504 0.027 . 1 . . . . 106 TRP CA . 7025 1 1222 . 1 1 109 109 TRP CB C 13 29.444 0.035 . 1 . . . . 106 TRP CB . 7025 1 1223 . 1 1 109 109 TRP N N 15 116.959 0.014 . 1 . . . . 106 TRP N . 7025 1 1224 . 1 1 110 110 LYS H H 1 7.822 0.006 . 1 . . . . 107 LYS H . 7025 1 1225 . 1 1 110 110 LYS HA H 1 4.094 0.03 . 1 . . . . 107 LYS HA . 7025 1 1226 . 1 1 110 110 LYS HB2 H 1 1.898 0.03 . 1 . . . . 107 LYS HB2 . 7025 1 1227 . 1 1 110 110 LYS HB3 H 1 1.898 0.03 . 1 . . . . 107 LYS HB3 . 7025 1 1228 . 1 1 110 110 LYS HG2 H 1 1.479 0.03 . 1 . . . . 107 LYS HG2 . 7025 1 1229 . 1 1 110 110 LYS HG3 H 1 1.479 0.03 . 1 . . . . 107 LYS HG3 . 7025 1 1230 . 1 1 110 110 LYS HD2 H 1 1.66 0.03 . 2 . . . . 107 LYS HD2 . 7025 1 1231 . 1 1 110 110 LYS HD3 H 1 1.667 0.03 . 2 . . . . 107 LYS HD3 . 7025 1 1232 . 1 1 110 110 LYS HE2 H 1 2.921 0.03 . 1 . . . . 107 LYS HE2 . 7025 1 1233 . 1 1 110 110 LYS HE3 H 1 2.921 0.03 . 1 . . . . 107 LYS HE3 . 7025 1 1234 . 1 1 110 110 LYS C C 13 178.274 0.003 . 1 . . . . 107 LYS C . 7025 1 1235 . 1 1 110 110 LYS CA C 13 58.971 0.042 . 1 . . . . 107 LYS CA . 7025 1 1236 . 1 1 110 110 LYS CB C 13 32.883 0.028 . 1 . . . . 107 LYS CB . 7025 1 1237 . 1 1 110 110 LYS CG C 13 25.295 0.3 . 1 . . . . 107 LYS CG . 7025 1 1238 . 1 1 110 110 LYS CD C 13 29.373 0.3 . 1 . . . . 107 LYS CD . 7025 1 1239 . 1 1 110 110 LYS N N 15 118.576 0.014 . 1 . . . . 107 LYS N . 7025 1 1240 . 1 1 111 111 GLU H H 1 7.595 0.007 . 1 . . . . 108 GLU H . 7025 1 1241 . 1 1 111 111 GLU HA H 1 4.225 0.03 . 1 . . . . 108 GLU HA . 7025 1 1242 . 1 1 111 111 GLU HB2 H 1 1.8 0.03 . 2 . . . . 108 GLU HB2 . 7025 1 1243 . 1 1 111 111 GLU HB3 H 1 2.084 0.03 . 2 . . . . 108 GLU HB3 . 7025 1 1244 . 1 1 111 111 GLU HG2 H 1 2.183 0.03 . 2 . . . . 108 GLU HG2 . 7025 1 1245 . 1 1 111 111 GLU HG3 H 1 2.342 0.03 . 2 . . . . 108 GLU HG3 . 7025 1 1246 . 1 1 111 111 GLU C C 13 176.332 0.003 . 1 . . . . 108 GLU C . 7025 1 1247 . 1 1 111 111 GLU CA C 13 55.787 0.043 . 1 . . . . 108 GLU CA . 7025 1 1248 . 1 1 111 111 GLU CB C 13 30.116 0.086 . 1 . . . . 108 GLU CB . 7025 1 1249 . 1 1 111 111 GLU CG C 13 36.381 0.3 . 1 . . . . 108 GLU CG . 7025 1 1250 . 1 1 111 111 GLU N N 15 115.346 0.038 . 1 . . . . 108 GLU N . 7025 1 1251 . 1 1 112 112 ALA H H 1 6.981 0.005 . 1 . . . . 109 ALA H . 7025 1 1252 . 1 1 112 112 ALA HA H 1 4.073 0.03 . 1 . . . . 109 ALA HA . 7025 1 1253 . 1 1 112 112 ALA HB1 H 1 1.26 0.03 . 1 . . . . 109 ALA HB . 7025 1 1254 . 1 1 112 112 ALA HB2 H 1 1.26 0.03 . 1 . . . . 109 ALA HB . 7025 1 1255 . 1 1 112 112 ALA HB3 H 1 1.26 0.03 . 1 . . . . 109 ALA HB . 7025 1 1256 . 1 1 112 112 ALA C C 13 177.704 0.3 . 1 . . . . 109 ALA C . 7025 1 1257 . 1 1 112 112 ALA CA C 13 52.74 0.105 . 1 . . . . 109 ALA CA . 7025 1 1258 . 1 1 112 112 ALA CB C 13 18.894 0.009 . 1 . . . . 109 ALA CB . 7025 1 1259 . 1 1 112 112 ALA N N 15 123.292 0.006 . 1 . . . . 109 ALA N . 7025 1 1260 . 1 1 113 113 LYS H H 1 8.938 0.007 . 1 . . . . 110 LYS H . 7025 1 1261 . 1 1 113 113 LYS HA H 1 4.556 0.004 . 1 . . . . 110 LYS HA . 7025 1 1262 . 1 1 113 113 LYS HB2 H 1 1.587 0.03 . 2 . . . . 110 LYS HB2 . 7025 1 1263 . 1 1 113 113 LYS HB3 H 1 1.991 0.011 . 2 . . . . 110 LYS HB3 . 7025 1 1264 . 1 1 113 113 LYS HE2 H 1 3.022 0.03 . 1 . . . . 110 LYS HE2 . 7025 1 1265 . 1 1 113 113 LYS HE3 H 1 3.022 0.03 . 1 . . . . 110 LYS HE3 . 7025 1 1266 . 1 1 113 113 LYS C C 13 176.398 0.3 . 1 . . . . 110 LYS C . 7025 1 1267 . 1 1 113 113 LYS CA C 13 54.034 0.015 . 1 . . . . 110 LYS CA . 7025 1 1268 . 1 1 113 113 LYS CB C 13 31.6 0.1 . 1 . . . . 110 LYS CB . 7025 1 1269 . 1 1 113 113 LYS N N 15 125.162 0.027 . 1 . . . . 110 LYS N . 7025 1 1270 . 1 1 114 114 PRO HA H 1 4.149 0.03 . 1 . . . . 111 PRO HA . 7025 1 1271 . 1 1 114 114 PRO HB2 H 1 1.944 0.03 . 2 . . . . 111 PRO HB2 . 7025 1 1272 . 1 1 114 114 PRO HB3 H 1 2.338 0.03 . 2 . . . . 111 PRO HB3 . 7025 1 1273 . 1 1 114 114 PRO HG2 H 1 2.095 0.03 . 2 . . . . 111 PRO HG2 . 7025 1 1274 . 1 1 114 114 PRO HG3 H 1 2.025 0.03 . 2 . . . . 111 PRO HG3 . 7025 1 1275 . 1 1 114 114 PRO HD2 H 1 3.727 0.03 . 2 . . . . 111 PRO HD2 . 7025 1 1276 . 1 1 114 114 PRO HD3 H 1 3.875 0.03 . 2 . . . . 111 PRO HD3 . 7025 1 1277 . 1 1 114 114 PRO C C 13 178.321 0.3 . 1 . . . . 111 PRO C . 7025 1 1278 . 1 1 114 114 PRO CA C 13 65.781 0.029 . 1 . . . . 111 PRO CA . 7025 1 1279 . 1 1 114 114 PRO CB C 13 31.888 0.029 . 1 . . . . 111 PRO CB . 7025 1 1280 . 1 1 114 114 PRO CG C 13 27.699 0.3 . 1 . . . . 111 PRO CG . 7025 1 1281 . 1 1 114 114 PRO CD C 13 50.083 0.3 . 1 . . . . 111 PRO CD . 7025 1 1282 . 1 1 115 115 ASP H H 1 8.251 0.005 . 1 . . . . 112 ASP H . 7025 1 1283 . 1 1 115 115 ASP HA H 1 4.403 0.03 . 1 . . . . 112 ASP HA . 7025 1 1284 . 1 1 115 115 ASP HB2 H 1 2.628 0.03 . 1 . . . . 112 ASP HB2 . 7025 1 1285 . 1 1 115 115 ASP HB3 H 1 2.628 0.03 . 1 . . . . 112 ASP HB3 . 7025 1 1286 . 1 1 115 115 ASP C C 13 176.467 0.005 . 1 . . . . 112 ASP C . 7025 1 1287 . 1 1 115 115 ASP CA C 13 54.804 0.118 . 1 . . . . 112 ASP CA . 7025 1 1288 . 1 1 115 115 ASP CB C 13 39.989 0.119 . 1 . . . . 112 ASP CB . 7025 1 1289 . 1 1 115 115 ASP N N 15 111.817 0.02 . 1 . . . . 112 ASP N . 7025 1 1290 . 1 1 116 116 GLU H H 1 7.934 0.006 . 1 . . . . 113 GLU H . 7025 1 1291 . 1 1 116 116 GLU HA H 1 4.268 0.03 . 1 . . . . 113 GLU HA . 7025 1 1292 . 1 1 116 116 GLU HB2 H 1 2.166 0.03 . 2 . . . . 113 GLU HB2 . 7025 1 1293 . 1 1 116 116 GLU HB3 H 1 2.248 0.03 . 2 . . . . 113 GLU HB3 . 7025 1 1294 . 1 1 116 116 GLU HG2 H 1 2.251 0.03 . 1 . . . . 113 GLU HG2 . 7025 1 1295 . 1 1 116 116 GLU HG3 H 1 2.251 0.03 . 1 . . . . 113 GLU HG3 . 7025 1 1296 . 1 1 116 116 GLU C C 13 175.895 0.001 . 1 . . . . 113 GLU C . 7025 1 1297 . 1 1 116 116 GLU CA C 13 56.336 0.054 . 1 . . . . 113 GLU CA . 7025 1 1298 . 1 1 116 116 GLU CB C 13 30.93 0.024 . 1 . . . . 113 GLU CB . 7025 1 1299 . 1 1 116 116 GLU CG C 13 37.167 0.3 . 1 . . . . 113 GLU CG . 7025 1 1300 . 1 1 116 116 GLU N N 15 117.483 0.005 . 1 . . . . 113 GLU N . 7025 1 1301 . 1 1 117 117 LEU H H 1 6.874 0.006 . 1 . . . . 114 LEU H . 7025 1 1302 . 1 1 117 117 LEU HA H 1 4.588 0.03 . 1 . . . . 114 LEU HA . 7025 1 1303 . 1 1 117 117 LEU HB2 H 1 1.397 0.03 . 2 . . . . 114 LEU HB2 . 7025 1 1304 . 1 1 117 117 LEU HB3 H 1 1.729 0.03 . 2 . . . . 114 LEU HB3 . 7025 1 1305 . 1 1 117 117 LEU HG H 1 1.692 0.03 . 1 . . . . 114 LEU HG . 7025 1 1306 . 1 1 117 117 LEU HD11 H 1 0.823 0.03 . 2 . . . . 114 LEU HD1 . 7025 1 1307 . 1 1 117 117 LEU HD12 H 1 0.823 0.03 . 2 . . . . 114 LEU HD1 . 7025 1 1308 . 1 1 117 117 LEU HD13 H 1 0.823 0.03 . 2 . . . . 114 LEU HD1 . 7025 1 1309 . 1 1 117 117 LEU HD21 H 1 0.823 0.03 . 2 . . . . 114 LEU HD2 . 7025 1 1310 . 1 1 117 117 LEU HD22 H 1 0.823 0.03 . 2 . . . . 114 LEU HD2 . 7025 1 1311 . 1 1 117 117 LEU HD23 H 1 0.823 0.03 . 2 . . . . 114 LEU HD2 . 7025 1 1312 . 1 1 117 117 LEU C C 13 176.991 0.3 . 1 . . . . 114 LEU C . 7025 1 1313 . 1 1 117 117 LEU CA C 13 55.101 0.043 . 1 . . . . 114 LEU CA . 7025 1 1314 . 1 1 117 117 LEU CB C 13 43.566 0.073 . 1 . . . . 114 LEU CB . 7025 1 1315 . 1 1 117 117 LEU CD1 C 13 24.194 0.3 . 2 . . . . 114 LEU CD1 . 7025 1 1316 . 1 1 117 117 LEU CD2 C 13 25.604 0.3 . 2 . . . . 114 LEU CD2 . 7025 1 1317 . 1 1 117 117 LEU N N 15 118.982 0.004 . 1 . . . . 114 LEU N . 7025 1 1318 . 1 1 118 118 MET H H 1 8.927 0.006 . 1 . . . . 115 MET H . 7025 1 1319 . 1 1 118 118 MET HA H 1 4.484 0.03 . 1 . . . . 115 MET HA . 7025 1 1320 . 1 1 118 118 MET HB2 H 1 2.487 0.03 . 1 . . . . 115 MET HB2 . 7025 1 1321 . 1 1 118 118 MET HB3 H 1 2.487 0.03 . 1 . . . . 115 MET HB3 . 7025 1 1322 . 1 1 118 118 MET HG2 H 1 2.287 0.03 . 2 . . . . 115 MET HG2 . 7025 1 1323 . 1 1 118 118 MET HG3 H 1 2.375 0.03 . 2 . . . . 115 MET HG3 . 7025 1 1324 . 1 1 118 118 MET C C 13 175.013 0.3 . 1 . . . . 115 MET C . 7025 1 1325 . 1 1 118 118 MET CA C 13 54.705 0.076 . 1 . . . . 115 MET CA . 7025 1 1326 . 1 1 118 118 MET CB C 13 36.185 0.05 . 1 . . . . 115 MET CB . 7025 1 1327 . 1 1 118 118 MET N N 15 123.477 0.018 . 1 . . . . 115 MET N . 7025 1 1328 . 1 1 119 119 ASP H H 1 8.519 0.007 . 1 . . . . 116 ASP H . 7025 1 1329 . 1 1 119 119 ASP HA H 1 5.426 0.03 . 1 . . . . 116 ASP HA . 7025 1 1330 . 1 1 119 119 ASP HB2 H 1 2.281 0.03 . 2 . . . . 116 ASP HB2 . 7025 1 1331 . 1 1 119 119 ASP HB3 H 1 2.461 0.03 . 2 . . . . 116 ASP HB3 . 7025 1 1332 . 1 1 119 119 ASP C C 13 175.232 0.003 . 1 . . . . 116 ASP C . 7025 1 1333 . 1 1 119 119 ASP CA C 13 54.076 0.12 . 1 . . . . 116 ASP CA . 7025 1 1334 . 1 1 119 119 ASP CB C 13 44.618 0.14 . 1 . . . . 116 ASP CB . 7025 1 1335 . 1 1 119 119 ASP N N 15 118.809 0.031 . 1 . . . . 116 ASP N . 7025 1 1336 . 1 1 120 120 SER H H 1 8.051 0.006 . 1 . . . . 117 SER H . 7025 1 1337 . 1 1 120 120 SER HA H 1 4.716 0.03 . 1 . . . . 117 SER HA . 7025 1 1338 . 1 1 120 120 SER HB2 H 1 3.295 0.03 . 2 . . . . 117 SER HB2 . 7025 1 1339 . 1 1 120 120 SER HB3 H 1 3.982 0.03 . 2 . . . . 117 SER HB3 . 7025 1 1340 . 1 1 120 120 SER C C 13 172.697 0.001 . 1 . . . . 117 SER C . 7025 1 1341 . 1 1 120 120 SER CA C 13 58.24 0.076 . 1 . . . . 117 SER CA . 7025 1 1342 . 1 1 120 120 SER CB C 13 66.046 0.034 . 1 . . . . 117 SER CB . 7025 1 1343 . 1 1 120 120 SER N N 15 115.481 0.017 . 1 . . . . 117 SER N . 7025 1 1344 . 1 1 121 121 LYS H H 1 8.844 0.005 . 1 . . . . 118 LYS H . 7025 1 1345 . 1 1 121 121 LYS HA H 1 5.202 0.004 . 1 . . . . 118 LYS HA . 7025 1 1346 . 1 1 121 121 LYS HB2 H 1 1.727 0.03 . 2 . . . . 118 LYS HB2 . 7025 1 1347 . 1 1 121 121 LYS HB3 H 1 1.772 0.03 . 2 . . . . 118 LYS HB3 . 7025 1 1348 . 1 1 121 121 LYS HG2 H 1 1.082 0.007 . 2 . . . . 118 LYS HG2 . 7025 1 1349 . 1 1 121 121 LYS HG3 H 1 1.382 0.006 . 2 . . . . 118 LYS HG3 . 7025 1 1350 . 1 1 121 121 LYS HD2 H 1 1.563 0.015 . 2 . . . . 118 LYS HD2 . 7025 1 1351 . 1 1 121 121 LYS HD3 H 1 1.579 0.001 . 2 . . . . 118 LYS HD3 . 7025 1 1352 . 1 1 121 121 LYS HE2 H 1 2.806 0.003 . 2 . . . . 118 LYS HE2 . 7025 1 1353 . 1 1 121 121 LYS HE3 H 1 2.665 0.03 . 2 . . . . 118 LYS HE3 . 7025 1 1354 . 1 1 121 121 LYS C C 13 176.089 0.005 . 1 . . . . 118 LYS C . 7025 1 1355 . 1 1 121 121 LYS CA C 13 55.488 0.095 . 1 . . . . 118 LYS CA . 7025 1 1356 . 1 1 121 121 LYS CB C 13 35.09 0.008 . 1 . . . . 118 LYS CB . 7025 1 1357 . 1 1 121 121 LYS CG C 13 25.841 0.087 . 1 . . . . 118 LYS CG . 7025 1 1358 . 1 1 121 121 LYS CD C 13 29.391 0.3 . 1 . . . . 118 LYS CD . 7025 1 1359 . 1 1 121 121 LYS N N 15 123.55 0.011 . 1 . . . . 118 LYS N . 7025 1 1360 . 1 1 122 122 LEU H H 1 9.146 0.01 . 1 . . . . 119 LEU H . 7025 1 1361 . 1 1 122 122 LEU HA H 1 4.984 0.03 . 1 . . . . 119 LEU HA . 7025 1 1362 . 1 1 122 122 LEU HB2 H 1 1.29 0.03 . 1 . . . . 119 LEU HB2 . 7025 1 1363 . 1 1 122 122 LEU HB3 H 1 1.29 0.03 . 1 . . . . 119 LEU HB3 . 7025 1 1364 . 1 1 122 122 LEU HG H 1 1.275 0.03 . 1 . . . . 119 LEU HG . 7025 1 1365 . 1 1 122 122 LEU HD11 H 1 0.516 0.007 . 2 . . . . 119 LEU HD1 . 7025 1 1366 . 1 1 122 122 LEU HD12 H 1 0.516 0.007 . 2 . . . . 119 LEU HD1 . 7025 1 1367 . 1 1 122 122 LEU HD13 H 1 0.516 0.007 . 2 . . . . 119 LEU HD1 . 7025 1 1368 . 1 1 122 122 LEU HD21 H 1 0.53 0.008 . 2 . . . . 119 LEU HD2 . 7025 1 1369 . 1 1 122 122 LEU HD22 H 1 0.53 0.008 . 2 . . . . 119 LEU HD2 . 7025 1 1370 . 1 1 122 122 LEU HD23 H 1 0.53 0.008 . 2 . . . . 119 LEU HD2 . 7025 1 1371 . 1 1 122 122 LEU C C 13 176.09 0.001 . 1 . . . . 119 LEU C . 7025 1 1372 . 1 1 122 122 LEU CA C 13 54.282 0.049 . 1 . . . . 119 LEU CA . 7025 1 1373 . 1 1 122 122 LEU CB C 13 46.312 0.041 . 1 . . . . 119 LEU CB . 7025 1 1374 . 1 1 122 122 LEU CG C 13 28.241 0.047 . 1 . . . . 119 LEU CG . 7025 1 1375 . 1 1 122 122 LEU CD1 C 13 25.798 0.3 . 2 . . . . 119 LEU CD1 . 7025 1 1376 . 1 1 122 122 LEU CD2 C 13 25.996 0.3 . 2 . . . . 119 LEU CD2 . 7025 1 1377 . 1 1 122 122 LEU N N 15 122.681 0.044 . 1 . . . . 119 LEU N . 7025 1 1378 . 1 1 123 123 ARG H H 1 8.342 0.007 . 1 . . . . 120 ARG H . 7025 1 1379 . 1 1 123 123 ARG HA H 1 4.716 0.03 . 1 . . . . 120 ARG HA . 7025 1 1380 . 1 1 123 123 ARG HB2 H 1 1.928 0.03 . 1 . . . . 120 ARG HB2 . 7025 1 1381 . 1 1 123 123 ARG HB3 H 1 1.928 0.03 . 1 . . . . 120 ARG HB3 . 7025 1 1382 . 1 1 123 123 ARG HG2 H 1 1.584 0.03 . 1 . . . . 120 ARG HG2 . 7025 1 1383 . 1 1 123 123 ARG HG3 H 1 1.584 0.03 . 1 . . . . 120 ARG HG3 . 7025 1 1384 . 1 1 123 123 ARG HD2 H 1 3.117 0.03 . 1 . . . . 120 ARG HD2 . 7025 1 1385 . 1 1 123 123 ARG HD3 H 1 3.117 0.03 . 1 . . . . 120 ARG HD3 . 7025 1 1386 . 1 1 123 123 ARG C C 13 175.28 0.003 . 1 . . . . 120 ARG C . 7025 1 1387 . 1 1 123 123 ARG CA C 13 55.206 0.032 . 1 . . . . 120 ARG CA . 7025 1 1388 . 1 1 123 123 ARG CB C 13 32.158 0.023 . 1 . . . . 120 ARG CB . 7025 1 1389 . 1 1 123 123 ARG CG C 13 27.549 0.3 . 1 . . . . 120 ARG CG . 7025 1 1390 . 1 1 123 123 ARG CD C 13 43.376 0.3 . 1 . . . . 120 ARG CD . 7025 1 1391 . 1 1 123 123 ARG N N 15 120.77 0.011 . 1 . . . . 120 ARG N . 7025 1 1392 . 1 1 124 124 CYS H H 1 7.634 0.007 . 1 . . . . 121 CYS H . 7025 1 1393 . 1 1 124 124 CYS HA H 1 5.316 0.022 . 1 . . . . 121 CYS HA . 7025 1 1394 . 1 1 124 124 CYS HB2 H 1 2.814 0.03 . 1 . . . . 121 CYS HB2 . 7025 1 1395 . 1 1 124 124 CYS HB3 H 1 2.814 0.03 . 1 . . . . 121 CYS HB3 . 7025 1 1396 . 1 1 124 124 CYS C C 13 173.99 0.002 . 1 . . . . 121 CYS C . 7025 1 1397 . 1 1 124 124 CYS CA C 13 57.903 0.083 . 1 . . . . 121 CYS CA . 7025 1 1398 . 1 1 124 124 CYS CB C 13 29.656 0.008 . 1 . . . . 121 CYS CB . 7025 1 1399 . 1 1 124 124 CYS N N 15 119.09 0.043 . 1 . . . . 121 CYS N . 7025 1 1400 . 1 1 125 125 VAL H H 1 9.116 0.007 . 1 . . . . 122 VAL H . 7025 1 1401 . 1 1 125 125 VAL HA H 1 4.105 0.03 . 1 . . . . 122 VAL HA . 7025 1 1402 . 1 1 125 125 VAL HB H 1 1.795 0.03 . 1 . . . . 122 VAL HB . 7025 1 1403 . 1 1 125 125 VAL HG11 H 1 0.732 0.03 . 2 . . . . 122 VAL HG1 . 7025 1 1404 . 1 1 125 125 VAL HG12 H 1 0.732 0.03 . 2 . . . . 122 VAL HG1 . 7025 1 1405 . 1 1 125 125 VAL HG13 H 1 0.732 0.03 . 2 . . . . 122 VAL HG1 . 7025 1 1406 . 1 1 125 125 VAL HG21 H 1 0.869 0.03 . 2 . . . . 122 VAL HG2 . 7025 1 1407 . 1 1 125 125 VAL HG22 H 1 0.869 0.03 . 2 . . . . 122 VAL HG2 . 7025 1 1408 . 1 1 125 125 VAL HG23 H 1 0.869 0.03 . 2 . . . . 122 VAL HG2 . 7025 1 1409 . 1 1 125 125 VAL C C 13 173.887 0.003 . 1 . . . . 122 VAL C . 7025 1 1410 . 1 1 125 125 VAL CA C 13 61.462 0.093 . 1 . . . . 122 VAL CA . 7025 1 1411 . 1 1 125 125 VAL CB C 13 35.219 0.059 . 1 . . . . 122 VAL CB . 7025 1 1412 . 1 1 125 125 VAL CG1 C 13 20.935 0.3 . 2 . . . . 122 VAL CG1 . 7025 1 1413 . 1 1 125 125 VAL CG2 C 13 20.948 0.3 . 2 . . . . 122 VAL CG2 . 7025 1 1414 . 1 1 125 125 VAL N N 15 124.917 0.052 . 1 . . . . 122 VAL N . 7025 1 1415 . 1 1 126 126 PHE H H 1 8.699 0.005 . 1 . . . . 123 PHE H . 7025 1 1416 . 1 1 126 126 PHE HA H 1 5.688 0.03 . 1 . . . . 123 PHE HA . 7025 1 1417 . 1 1 126 126 PHE HB2 H 1 3.063 0.03 . 2 . . . . 123 PHE HB2 . 7025 1 1418 . 1 1 126 126 PHE HB3 H 1 3.102 0.03 . 2 . . . . 123 PHE HB3 . 7025 1 1419 . 1 1 126 126 PHE HD1 H 1 7.111 0.002 . 3 . . . . 123 PHE HD2 . 7025 1 1420 . 1 1 126 126 PHE HD2 H 1 7.109 0.001 . 3 . . . . 123 PHE HD3 . 7025 1 1421 . 1 1 126 126 PHE HE1 H 1 6.965 0.006 . 3 . . . . 123 PHE HE2 . 7025 1 1422 . 1 1 126 126 PHE HE2 H 1 6.97 0.004 . 3 . . . . 123 PHE HE3 . 7025 1 1423 . 1 1 126 126 PHE HZ H 1 6.762 0.002 . 1 . . . . 123 PHE HZ . 7025 1 1424 . 1 1 126 126 PHE C C 13 175.606 0.008 . 1 . . . . 123 PHE C . 7025 1 1425 . 1 1 126 126 PHE CA C 13 54.477 0.065 . 1 . . . . 123 PHE CA . 7025 1 1426 . 1 1 126 126 PHE CB C 13 39.565 0.023 . 1 . . . . 123 PHE CB . 7025 1 1427 . 1 1 126 126 PHE N N 15 126.336 0.032 . 1 . . . . 123 PHE N . 7025 1 1428 . 1 1 127 127 GLU H H 1 9.153 0.006 . 1 . . . . 124 GLU H . 7025 1 1429 . 1 1 127 127 GLU HA H 1 4.81 0.03 . 1 . . . . 124 GLU HA . 7025 1 1430 . 1 1 127 127 GLU HB2 H 1 1.902 0.03 . 1 . . . . 124 GLU HB2 . 7025 1 1431 . 1 1 127 127 GLU HB3 H 1 1.902 0.03 . 1 . . . . 124 GLU HB3 . 7025 1 1432 . 1 1 127 127 GLU HG2 H 1 2.074 0.03 . 2 . . . . 124 GLU HG2 . 7025 1 1433 . 1 1 127 127 GLU HG3 H 1 2.06 0.03 . 2 . . . . 124 GLU HG3 . 7025 1 1434 . 1 1 127 127 GLU C C 13 174.637 0.005 . 1 . . . . 124 GLU C . 7025 1 1435 . 1 1 127 127 GLU CA C 13 55.036 0.067 . 1 . . . . 124 GLU CA . 7025 1 1436 . 1 1 127 127 GLU CB C 13 33.384 0.158 . 1 . . . . 124 GLU CB . 7025 1 1437 . 1 1 127 127 GLU CG C 13 36.587 0.3 . 1 . . . . 124 GLU CG . 7025 1 1438 . 1 1 127 127 GLU N N 15 123.5 0.045 . 1 . . . . 124 GLU N . 7025 1 1439 . 1 1 128 128 MET H H 1 8.734 0.008 . 1 . . . . 125 MET H . 7025 1 1440 . 1 1 128 128 MET HA H 1 4.833 0.001 . 1 . . . . 125 MET HA . 7025 1 1441 . 1 1 128 128 MET HB2 H 1 1.782 0.03 . 2 . . . . 125 MET HB2 . 7025 1 1442 . 1 1 128 128 MET HB3 H 1 2.076 0.03 . 2 . . . . 125 MET HB3 . 7025 1 1443 . 1 1 128 128 MET HG2 H 1 2.424 0.03 . 2 . . . . 125 MET HG2 . 7025 1 1444 . 1 1 128 128 MET HG3 H 1 2.576 0.03 . 2 . . . . 125 MET HG3 . 7025 1 1445 . 1 1 128 128 MET C C 13 174.168 0.3 . 1 . . . . 125 MET C . 7025 1 1446 . 1 1 128 128 MET CA C 13 51.671 0.079 . 1 . . . . 125 MET CA . 7025 1 1447 . 1 1 128 128 MET CB C 13 32.669 0.3 . 1 . . . . 125 MET CB . 7025 1 1448 . 1 1 128 128 MET N N 15 123.725 0.068 . 1 . . . . 125 MET N . 7025 1 1449 . 1 1 129 129 PRO HA H 1 4.341 0.03 . 1 . . . . 126 PRO HA . 7025 1 1450 . 1 1 129 129 PRO HB2 H 1 2.18 0.03 . 2 . . . . 126 PRO HB2 . 7025 1 1451 . 1 1 129 129 PRO HB3 H 1 1.886 0.03 . 2 . . . . 126 PRO HB3 . 7025 1 1452 . 1 1 129 129 PRO HG2 H 1 1.811 0.03 . 2 . . . . 126 PRO HG2 . 7025 1 1453 . 1 1 129 129 PRO HG3 H 1 1.959 0.03 . 2 . . . . 126 PRO HG3 . 7025 1 1454 . 1 1 129 129 PRO HD2 H 1 3.382 0.03 . 2 . . . . 126 PRO HD2 . 7025 1 1455 . 1 1 129 129 PRO HD3 H 1 3.52 0.03 . 2 . . . . 126 PRO HD3 . 7025 1 1456 . 1 1 129 129 PRO C C 13 176.231 0.3 . 1 . . . . 126 PRO C . 7025 1 1457 . 1 1 129 129 PRO CA C 13 63.383 0.122 . 1 . . . . 126 PRO CA . 7025 1 1458 . 1 1 129 129 PRO CB C 13 32.184 0.037 . 1 . . . . 126 PRO CB . 7025 1 1459 . 1 1 129 129 PRO CG C 13 27.486 0.3 . 1 . . . . 126 PRO CG . 7025 1 1460 . 1 1 129 129 PRO CD C 13 50.929 0.3 . 1 . . . . 126 PRO CD . 7025 1 1461 . 1 1 130 130 ASN H H 1 8.501 0.006 . 1 . . . . 127 ASN H . 7025 1 1462 . 1 1 130 130 ASN HA H 1 4.613 0.03 . 1 . . . . 127 ASN HA . 7025 1 1463 . 1 1 130 130 ASN HB2 H 1 2.741 0.03 . 1 . . . . 127 ASN HB2 . 7025 1 1464 . 1 1 130 130 ASN HB3 H 1 2.741 0.03 . 1 . . . . 127 ASN HB3 . 7025 1 1465 . 1 1 130 130 ASN C C 13 174.07 0.001 . 1 . . . . 127 ASN C . 7025 1 1466 . 1 1 130 130 ASN CA C 13 53.478 0.213 . 1 . . . . 127 ASN CA . 7025 1 1467 . 1 1 130 130 ASN CB C 13 38.989 0.01 . 1 . . . . 127 ASN CB . 7025 1 1468 . 1 1 130 130 ASN N N 15 119.271 0.029 . 1 . . . . 127 ASN N . 7025 1 1469 . 1 1 131 131 GLU H H 1 7.775 0.009 . 1 . . . . 128 GLU H . 7025 1 1470 . 1 1 131 131 GLU HA H 1 4.065 0.001 . 1 . . . . 128 GLU HA . 7025 1 1471 . 1 1 131 131 GLU HB2 H 1 1.828 0.011 . 2 . . . . 128 GLU HB2 . 7025 1 1472 . 1 1 131 131 GLU HB3 H 1 1.992 0.012 . 2 . . . . 128 GLU HB3 . 7025 1 1473 . 1 1 131 131 GLU HG2 H 1 2.109 0.012 . 1 . . . . 128 GLU HG2 . 7025 1 1474 . 1 1 131 131 GLU HG3 H 1 2.109 0.012 . 1 . . . . 128 GLU HG3 . 7025 1 1475 . 1 1 131 131 GLU C C 13 180.821 0.3 . 1 . . . . 128 GLU C . 7025 1 1476 . 1 1 131 131 GLU CA C 13 58.05 0.108 . 1 . . . . 128 GLU CA . 7025 1 1477 . 1 1 131 131 GLU CB C 13 31.328 0.3 . 1 . . . . 128 GLU CB . 7025 1 1478 . 1 1 131 131 GLU N N 15 125.559 0.04 . 1 . . . . 128 GLU N . 7025 1 1479 . 2 2 2 2 PRO HA H 1 4.39 0.03 . 1 . . . . 339 PRO HA . 7025 1 1480 . 2 2 2 2 PRO HB2 H 1 2.226 0.03 . 2 . . . . 339 PRO HB2 . 7025 1 1481 . 2 2 2 2 PRO HB3 H 1 1.937 0.03 . 2 . . . . 339 PRO HB3 . 7025 1 1482 . 2 2 2 2 PRO HG2 H 1 1.915 0.03 . 2 . . . . 339 PRO HG2 . 7025 1 1483 . 2 2 2 2 PRO HG3 H 1 1.861 0.03 . 2 . . . . 339 PRO HG3 . 7025 1 1484 . 2 2 2 2 PRO HD2 H 1 3.478 0.03 . 2 . . . . 339 PRO HD2 . 7025 1 1485 . 2 2 2 2 PRO HD3 H 1 3.482 0.03 . 2 . . . . 339 PRO HD3 . 7025 1 1486 . 2 2 2 2 PRO C C 13 176.961 0.3 . 1 . . . . 339 PRO C . 7025 1 1487 . 2 2 2 2 PRO CA C 13 63.309 0.033 . 1 . . . . 339 PRO CA . 7025 1 1488 . 2 2 2 2 PRO CB C 13 32.426 0.109 . 1 . . . . 339 PRO CB . 7025 1 1489 . 2 2 2 2 PRO CG C 13 26.941 0.3 . 1 . . . . 339 PRO CG . 7025 1 1490 . 2 2 2 2 PRO CD C 13 49.841 0.3 . 1 . . . . 339 PRO CD . 7025 1 1491 . 2 2 3 3 LEU H H 1 8.44 0.014 . 1 . . . . 340 LEU H . 7025 1 1492 . 2 2 3 3 LEU HA H 1 4.269 0.03 . 1 . . . . 340 LEU HA . 7025 1 1493 . 2 2 3 3 LEU HB2 H 1 1.575 0.03 . 1 . . . . 340 LEU HB2 . 7025 1 1494 . 2 2 3 3 LEU HB3 H 1 1.575 0.03 . 1 . . . . 340 LEU HB3 . 7025 1 1495 . 2 2 3 3 LEU HG H 1 1.506 0.03 . 1 . . . . 340 LEU HG . 7025 1 1496 . 2 2 3 3 LEU HD11 H 1 0.808 0.03 . 2 . . . . 340 LEU HD1 . 7025 1 1497 . 2 2 3 3 LEU HD12 H 1 0.808 0.03 . 2 . . . . 340 LEU HD1 . 7025 1 1498 . 2 2 3 3 LEU HD13 H 1 0.808 0.03 . 2 . . . . 340 LEU HD1 . 7025 1 1499 . 2 2 3 3 LEU HD21 H 1 0.808 0.03 . 2 . . . . 340 LEU HD2 . 7025 1 1500 . 2 2 3 3 LEU HD22 H 1 0.808 0.03 . 2 . . . . 340 LEU HD2 . 7025 1 1501 . 2 2 3 3 LEU HD23 H 1 0.808 0.03 . 2 . . . . 340 LEU HD2 . 7025 1 1502 . 2 2 3 3 LEU C C 13 177.888 0.001 . 1 . . . . 340 LEU C . 7025 1 1503 . 2 2 3 3 LEU CA C 13 55.428 0.072 . 1 . . . . 340 LEU CA . 7025 1 1504 . 2 2 3 3 LEU CB C 13 42.208 0.072 . 1 . . . . 340 LEU CB . 7025 1 1505 . 2 2 3 3 LEU CD1 C 13 23.358 0.3 . 2 . . . . 340 LEU CD1 . 7025 1 1506 . 2 2 3 3 LEU CD2 C 13 24.785 0.3 . 2 . . . . 340 LEU CD2 . 7025 1 1507 . 2 2 3 3 LEU N N 15 122.227 0.005 . 1 . . . . 340 LEU N . 7025 1 1508 . 2 2 4 4 GLY H H 1 8.34 0.014 . 1 . . . . 341 GLY H . 7025 1 1509 . 2 2 4 4 GLY HA2 H 1 3.914 0.03 . 2 . . . . 341 GLY HA2 . 7025 1 1510 . 2 2 4 4 GLY HA3 H 1 3.935 0.03 . 2 . . . . 341 GLY HA3 . 7025 1 1511 . 2 2 4 4 GLY C C 13 174.302 0.001 . 1 . . . . 341 GLY C . 7025 1 1512 . 2 2 4 4 GLY CA C 13 45.409 0.054 . 1 . . . . 341 GLY CA . 7025 1 1513 . 2 2 4 4 GLY N N 15 109.98 0.008 . 1 . . . . 341 GLY N . 7025 1 1514 . 2 2 5 5 SER H H 1 8.114 0.012 . 1 . . . . 342 SER H . 7025 1 1515 . 2 2 5 5 SER HA H 1 4.26 0.03 . 1 . . . . 342 SER HA . 7025 1 1516 . 2 2 5 5 SER HB2 H 1 3.754 0.03 . 2 . . . . 342 SER HB2 . 7025 1 1517 . 2 2 5 5 SER HB3 H 1 3.673 0.03 . 2 . . . . 342 SER HB3 . 7025 1 1518 . 2 2 5 5 SER C C 13 174.447 0.004 . 1 . . . . 342 SER C . 7025 1 1519 . 2 2 5 5 SER CA C 13 58.527 0.079 . 1 . . . . 342 SER CA . 7025 1 1520 . 2 2 5 5 SER CB C 13 63.725 0.129 . 1 . . . . 342 SER CB . 7025 1 1521 . 2 2 5 5 SER N N 15 115.265 0.006 . 1 . . . . 342 SER N . 7025 1 1522 . 2 2 6 6 ASP H H 1 8.33 0.012 . 1 . . . . 343 ASP H . 7025 1 1523 . 2 2 6 6 ASP HA H 1 4.476 0.03 . 1 . . . . 343 ASP HA . 7025 1 1524 . 2 2 6 6 ASP HB2 H 1 2.492 0.03 . 1 . . . . 343 ASP HB2 . 7025 1 1525 . 2 2 6 6 ASP HB3 H 1 2.492 0.03 . 1 . . . . 343 ASP HB3 . 7025 1 1526 . 2 2 6 6 ASP C C 13 176.056 0.002 . 1 . . . . 343 ASP C . 7025 1 1527 . 2 2 6 6 ASP CA C 13 54.326 0.281 . 1 . . . . 343 ASP CA . 7025 1 1528 . 2 2 6 6 ASP CB C 13 40.857 0.227 . 1 . . . . 343 ASP CB . 7025 1 1529 . 2 2 6 6 ASP N N 15 121.689 0.032 . 1 . . . . 343 ASP N . 7025 1 1530 . 2 2 7 7 HIS H H 1 8.018 0.012 . 1 . . . . 344 HIS H . 7025 1 1531 . 2 2 7 7 HIS HA H 1 4.45 0.03 . 1 . . . . 344 HIS HA . 7025 1 1532 . 2 2 7 7 HIS HB2 H 1 2.912 0.03 . 1 . . . . 344 HIS HB2 . 7025 1 1533 . 2 2 7 7 HIS HB3 H 1 2.912 0.03 . 1 . . . . 344 HIS HB3 . 7025 1 1534 . 2 2 7 7 HIS C C 13 175.011 0.3 . 1 . . . . 344 HIS C . 7025 1 1535 . 2 2 7 7 HIS CA C 13 56.322 0.067 . 1 . . . . 344 HIS CA . 7025 1 1536 . 2 2 7 7 HIS CB C 13 30.257 0.034 . 1 . . . . 344 HIS CB . 7025 1 1537 . 2 2 7 7 HIS N N 15 118.801 0.087 . 1 . . . . 344 HIS N . 7025 1 1538 . 2 2 8 8 TRP H H 1 7.918 0.012 . 1 . . . . 345 TRP H . 7025 1 1539 . 2 2 8 8 TRP HA H 1 4.569 0.03 . 1 . . . . 345 TRP HA . 7025 1 1540 . 2 2 8 8 TRP HB2 H 1 3.154 0.03 . 2 . . . . 345 TRP HB2 . 7025 1 1541 . 2 2 8 8 TRP HB3 H 1 3.253 0.03 . 2 . . . . 345 TRP HB3 . 7025 1 1542 . 2 2 8 8 TRP HD1 H 1 7.163 0.014 . 1 . . . . 345 TRP HD1 . 7025 1 1543 . 2 2 8 8 TRP HE1 H 1 10.074 0.03 . 1 . . . . 345 TRP HE1 . 7025 1 1544 . 2 2 8 8 TRP HZ2 H 1 7.447 0.007 . 1 . . . . 345 TRP HZ2 . 7025 1 1545 . 2 2 8 8 TRP C C 13 176.748 0.003 . 1 . . . . 345 TRP C . 7025 1 1546 . 2 2 8 8 TRP CA C 13 57.308 0.177 . 1 . . . . 345 TRP CA . 7025 1 1547 . 2 2 8 8 TRP CB C 13 29.618 0.163 . 1 . . . . 345 TRP CB . 7025 1 1548 . 2 2 8 8 TRP N N 15 121.537 0.005 . 1 . . . . 345 TRP N . 7025 1 1549 . 2 2 8 8 TRP NE1 N 15 129.23 0.2 . 1 . . . . 345 TRP NE1 . 7025 1 1550 . 2 2 9 9 GLY H H 1 8.236 0.012 . 1 . . . . 346 GLY H . 7025 1 1551 . 2 2 9 9 GLY HA2 H 1 3.813 0.03 . 1 . . . . 346 GLY HA2 . 7025 1 1552 . 2 2 9 9 GLY HA3 H 1 3.813 0.03 . 1 . . . . 346 GLY HA3 . 7025 1 1553 . 2 2 9 9 GLY C C 13 174.093 0.001 . 1 . . . . 346 GLY C . 7025 1 1554 . 2 2 9 9 GLY CA C 13 45.484 0.008 . 1 . . . . 346 GLY CA . 7025 1 1555 . 2 2 9 9 GLY N N 15 110.578 0.006 . 1 . . . . 346 GLY N . 7025 1 1556 . 2 2 10 10 LYS H H 1 8.053 0.012 . 1 . . . . 347 LYS H . 7025 1 1557 . 2 2 10 10 LYS HA H 1 4.248 0.03 . 1 . . . . 347 LYS HA . 7025 1 1558 . 2 2 10 10 LYS HB2 H 1 1.807 0.03 . 1 . . . . 347 LYS HB2 . 7025 1 1559 . 2 2 10 10 LYS HB3 H 1 1.807 0.03 . 1 . . . . 347 LYS HB3 . 7025 1 1560 . 2 2 10 10 LYS HG2 H 1 1.345 0.03 . 1 . . . . 347 LYS HG2 . 7025 1 1561 . 2 2 10 10 LYS HG3 H 1 1.345 0.03 . 1 . . . . 347 LYS HG3 . 7025 1 1562 . 2 2 10 10 LYS HD2 H 1 1.634 0.03 . 1 . . . . 347 LYS HD2 . 7025 1 1563 . 2 2 10 10 LYS HD3 H 1 1.634 0.03 . 1 . . . . 347 LYS HD3 . 7025 1 1564 . 2 2 10 10 LYS HE2 H 1 2.918 0.03 . 1 . . . . 347 LYS HE2 . 7025 1 1565 . 2 2 10 10 LYS HE3 H 1 2.918 0.03 . 1 . . . . 347 LYS HE3 . 7025 1 1566 . 2 2 10 10 LYS C C 13 177.174 0.002 . 1 . . . . 347 LYS C . 7025 1 1567 . 2 2 10 10 LYS CA C 13 56.404 0.035 . 1 . . . . 347 LYS CA . 7025 1 1568 . 2 2 10 10 LYS CB C 13 33.103 0.139 . 1 . . . . 347 LYS CB . 7025 1 1569 . 2 2 10 10 LYS CG C 13 24.77 0.3 . 1 . . . . 347 LYS CG . 7025 1 1570 . 2 2 10 10 LYS CD C 13 29.079 0.3 . 1 . . . . 347 LYS CD . 7025 1 1571 . 2 2 10 10 LYS CE C 13 45.425 0.3 . 1 . . . . 347 LYS CE . 7025 1 1572 . 2 2 10 10 LYS N N 15 120.529 0.003 . 1 . . . . 347 LYS N . 7025 1 1573 . 2 2 11 11 GLY H H 1 8.392 0.013 . 1 . . . . 348 GLY H . 7025 1 1574 . 2 2 11 11 GLY HA2 H 1 3.874 0.03 . 1 . . . . 348 GLY HA2 . 7025 1 1575 . 2 2 11 11 GLY HA3 H 1 3.874 0.03 . 1 . . . . 348 GLY HA3 . 7025 1 1576 . 2 2 11 11 GLY C C 13 173.84 0.001 . 1 . . . . 348 GLY C . 7025 1 1577 . 2 2 11 11 GLY CA C 13 45.402 0.016 . 1 . . . . 348 GLY CA . 7025 1 1578 . 2 2 11 11 GLY N N 15 109.75 0.01 . 1 . . . . 348 GLY N . 7025 1 1579 . 2 2 12 12 ASP H H 1 8.174 0.012 . 1 . . . . 349 ASP H . 7025 1 1580 . 2 2 12 12 ASP HA H 1 4.536 0.03 . 1 . . . . 349 ASP HA . 7025 1 1581 . 2 2 12 12 ASP HB2 H 1 2.593 0.03 . 1 . . . . 349 ASP HB2 . 7025 1 1582 . 2 2 12 12 ASP HB3 H 1 2.593 0.03 . 1 . . . . 349 ASP HB3 . 7025 1 1583 . 2 2 12 12 ASP C C 13 176.329 0.004 . 1 . . . . 349 ASP C . 7025 1 1584 . 2 2 12 12 ASP CA C 13 54.264 0.156 . 1 . . . . 349 ASP CA . 7025 1 1585 . 2 2 12 12 ASP CB C 13 41.275 0.247 . 1 . . . . 349 ASP CB . 7025 1 1586 . 2 2 12 12 ASP N N 15 120.301 0.006 . 1 . . . . 349 ASP N . 7025 1 1587 . 2 2 13 13 MET H H 1 8.263 0.012 . 1 . . . . 350 MET H . 7025 1 1588 . 2 2 13 13 MET HA H 1 4.431 0.03 . 1 . . . . 350 MET HA . 7025 1 1589 . 2 2 13 13 MET HB2 H 1 1.934 0.03 . 2 . . . . 350 MET HB2 . 7025 1 1590 . 2 2 13 13 MET HB3 H 1 2.06 0.03 . 2 . . . . 350 MET HB3 . 7025 1 1591 . 2 2 13 13 MET HG2 H 1 2.435 0.03 . 2 . . . . 350 MET HG2 . 7025 1 1592 . 2 2 13 13 MET HG3 H 1 2.513 0.03 . 2 . . . . 350 MET HG3 . 7025 1 1593 . 2 2 13 13 MET C C 13 176.256 0.003 . 1 . . . . 350 MET C . 7025 1 1594 . 2 2 13 13 MET CA C 13 55.544 0.055 . 1 . . . . 350 MET CA . 7025 1 1595 . 2 2 13 13 MET CB C 13 32.506 0.314 . 1 . . . . 350 MET CB . 7025 1 1596 . 2 2 13 13 MET CG C 13 32.062 0.3 . 1 . . . . 350 MET CG . 7025 1 1597 . 2 2 13 13 MET N N 15 120.232 0.004 . 1 . . . . 350 MET N . 7025 1 1598 . 2 2 14 14 SER H H 1 8.29 0.013 . 1 . . . . 351 SER H . 7025 1 1599 . 2 2 14 14 SER HA H 1 4.362 0.03 . 1 . . . . 351 SER HA . 7025 1 1600 . 2 2 14 14 SER HB2 H 1 3.807 0.03 . 1 . . . . 351 SER HB2 . 7025 1 1601 . 2 2 14 14 SER HB3 H 1 3.807 0.03 . 1 . . . . 351 SER HB3 . 7025 1 1602 . 2 2 14 14 SER C C 13 174.361 0.004 . 1 . . . . 351 SER C . 7025 1 1603 . 2 2 14 14 SER CA C 13 58.604 0.048 . 1 . . . . 351 SER CA . 7025 1 1604 . 2 2 14 14 SER CB C 13 63.851 0.121 . 1 . . . . 351 SER CB . 7025 1 1605 . 2 2 14 14 SER N N 15 116.826 0.006 . 1 . . . . 351 SER N . 7025 1 1606 . 2 2 15 15 ASP H H 1 8.352 0.011 . 1 . . . . 352 ASP H . 7025 1 1607 . 2 2 15 15 ASP HA H 1 4.571 0.03 . 1 . . . . 352 ASP HA . 7025 1 1608 . 2 2 15 15 ASP HB2 H 1 2.571 0.03 . 2 . . . . 352 ASP HB2 . 7025 1 1609 . 2 2 15 15 ASP HB3 H 1 2.641 0.03 . 2 . . . . 352 ASP HB3 . 7025 1 1610 . 2 2 15 15 ASP C C 13 176.281 0.002 . 1 . . . . 352 ASP C . 7025 1 1611 . 2 2 15 15 ASP CA C 13 54.405 0.161 . 1 . . . . 352 ASP CA . 7025 1 1612 . 2 2 15 15 ASP CB C 13 41.3 0.011 . 1 . . . . 352 ASP CB . 7025 1 1613 . 2 2 15 15 ASP N N 15 122.525 0.008 . 1 . . . . 352 ASP N . 7025 1 1614 . 2 2 16 16 GLU H H 1 8.209 0.012 . 1 . . . . 353 GLU H . 7025 1 1615 . 2 2 16 16 GLU HA H 1 4.195 0.03 . 1 . . . . 353 GLU HA . 7025 1 1616 . 2 2 16 16 GLU HB2 H 1 1.836 0.03 . 2 . . . . 353 GLU HB2 . 7025 1 1617 . 2 2 16 16 GLU HB3 H 1 2 0.03 . 2 . . . . 353 GLU HB3 . 7025 1 1618 . 2 2 16 16 GLU HG2 H 1 2.18 0.03 . 1 . . . . 353 GLU HG2 . 7025 1 1619 . 2 2 16 16 GLU HG3 H 1 2.18 0.03 . 1 . . . . 353 GLU HG3 . 7025 1 1620 . 2 2 16 16 GLU C C 13 176.237 0.007 . 1 . . . . 353 GLU C . 7025 1 1621 . 2 2 16 16 GLU CA C 13 56.712 0.007 . 1 . . . . 353 GLU CA . 7025 1 1622 . 2 2 16 16 GLU CB C 13 30.485 0.174 . 1 . . . . 353 GLU CB . 7025 1 1623 . 2 2 16 16 GLU CG C 13 36.259 0.3 . 1 . . . . 353 GLU CG . 7025 1 1624 . 2 2 16 16 GLU N N 15 120.475 0.072 . 1 . . . . 353 GLU N . 7025 1 1625 . 2 2 17 17 ASP H H 1 8.252 0.013 . 1 . . . . 354 ASP H . 7025 1 1626 . 2 2 17 17 ASP HA H 1 4.558 0.03 . 1 . . . . 354 ASP HA . 7025 1 1627 . 2 2 17 17 ASP HB2 H 1 2.542 0.03 . 2 . . . . 354 ASP HB2 . 7025 1 1628 . 2 2 17 17 ASP HB3 H 1 2.662 0.03 . 2 . . . . 354 ASP HB3 . 7025 1 1629 . 2 2 17 17 ASP C C 13 175.805 0.3 . 1 . . . . 354 ASP C . 7025 1 1630 . 2 2 17 17 ASP CA C 13 54.293 0.102 . 1 . . . . 354 ASP CA . 7025 1 1631 . 2 2 17 17 ASP CB C 13 41.401 0.251 . 1 . . . . 354 ASP CB . 7025 1 1632 . 2 2 17 17 ASP N N 15 121.038 0.005 . 1 . . . . 354 ASP N . 7025 1 1633 . 2 2 18 18 ASP H H 1 8.188 0.011 . 1 . . . . 355 ASP H . 7025 1 1634 . 2 2 18 18 ASP HA H 1 4.556 0.03 . 1 . . . . 355 ASP HA . 7025 1 1635 . 2 2 18 18 ASP HB2 H 1 2.608 0.03 . 1 . . . . 355 ASP HB2 . 7025 1 1636 . 2 2 18 18 ASP HB3 H 1 2.608 0.03 . 1 . . . . 355 ASP HB3 . 7025 1 1637 . 2 2 18 18 ASP C C 13 176.356 0.003 . 1 . . . . 355 ASP C . 7025 1 1638 . 2 2 18 18 ASP CA C 13 54.189 0.096 . 1 . . . . 355 ASP CA . 7025 1 1639 . 2 2 18 18 ASP CB C 13 41.536 0.263 . 1 . . . . 355 ASP CB . 7025 1 1640 . 2 2 18 18 ASP N N 15 121.038 0.024 . 1 . . . . 355 ASP N . 7025 1 1641 . 2 2 19 19 GLU H H 1 8.323 0.011 . 1 . . . . 356 GLU H . 7025 1 1642 . 2 2 19 19 GLU HA H 1 4.225 0.03 . 1 . . . . 356 GLU HA . 7025 1 1643 . 2 2 19 19 GLU HB2 H 1 1.903 0.03 . 2 . . . . 356 GLU HB2 . 7025 1 1644 . 2 2 19 19 GLU HB3 H 1 1.988 0.03 . 2 . . . . 356 GLU HB3 . 7025 1 1645 . 2 2 19 19 GLU HG2 H 1 2.169 0.03 . 1 . . . . 356 GLU HG2 . 7025 1 1646 . 2 2 19 19 GLU HG3 H 1 2.169 0.03 . 1 . . . . 356 GLU HG3 . 7025 1 1647 . 2 2 19 19 GLU C C 13 176.063 0.004 . 1 . . . . 356 GLU C . 7025 1 1648 . 2 2 19 19 GLU CA C 13 56.827 0.023 . 1 . . . . 356 GLU CA . 7025 1 1649 . 2 2 19 19 GLU CB C 13 29.77 0.145 . 1 . . . . 356 GLU CB . 7025 1 1650 . 2 2 19 19 GLU CG C 13 36.222 0.3 . 1 . . . . 356 GLU CG . 7025 1 1651 . 2 2 19 19 GLU N N 15 121.266 0.016 . 1 . . . . 356 GLU N . 7025 1 1652 . 2 2 20 20 ASN H H 1 8.228 0.013 . 1 . . . . 357 ASN H . 7025 1 1653 . 2 2 20 20 ASN HA H 1 4.613 0.03 . 1 . . . . 357 ASN HA . 7025 1 1654 . 2 2 20 20 ASN HB2 H 1 2.514 0.03 . 2 . . . . 357 ASN HB2 . 7025 1 1655 . 2 2 20 20 ASN HB3 H 1 2.633 0.03 . 2 . . . . 357 ASN HB3 . 7025 1 1656 . 2 2 20 20 ASN HD21 H 1 6.904 0.03 . 2 . . . . 357 ASN HD22 . 7025 1 1657 . 2 2 20 20 ASN HD22 H 1 7.635 0.03 . 2 . . . . 357 ASN HD23 . 7025 1 1658 . 2 2 20 20 ASN C C 13 174.035 0.002 . 1 . . . . 357 ASN C . 7025 1 1659 . 2 2 20 20 ASN CA C 13 53.188 0.052 . 1 . . . . 357 ASN CA . 7025 1 1660 . 2 2 20 20 ASN CB C 13 40.253 0.232 . 1 . . . . 357 ASN CB . 7025 1 1661 . 2 2 20 20 ASN N N 15 118.687 0.016 . 1 . . . . 357 ASN N . 7025 1 1662 . 2 2 20 20 ASN ND2 N 15 113.926 0.001 . 1 . . . . 357 ASN ND2 . 7025 1 1663 . 2 2 21 21 GLU H H 1 7.887 0.012 . 1 . . . . 358 GLU H . 7025 1 1664 . 2 2 21 21 GLU HA H 1 4.138 0.03 . 1 . . . . 358 GLU HA . 7025 1 1665 . 2 2 21 21 GLU HB2 H 1 1.641 0.03 . 2 . . . . 358 GLU HB2 . 7025 1 1666 . 2 2 21 21 GLU HB3 H 1 1.648 0.03 . 2 . . . . 358 GLU HB3 . 7025 1 1667 . 2 2 21 21 GLU HG2 H 1 1.949 0.03 . 2 . . . . 358 GLU HG2 . 7025 1 1668 . 2 2 21 21 GLU HG3 H 1 1.744 0.03 . 2 . . . . 358 GLU HG3 . 7025 1 1669 . 2 2 21 21 GLU C C 13 174.323 0.003 . 1 . . . . 358 GLU C . 7025 1 1670 . 2 2 21 21 GLU CA C 13 55.818 0.03 . 1 . . . . 358 GLU CA . 7025 1 1671 . 2 2 21 21 GLU CB C 13 30.766 0.101 . 1 . . . . 358 GLU CB . 7025 1 1672 . 2 2 21 21 GLU CG C 13 36.116 0.3 . 1 . . . . 358 GLU CG . 7025 1 1673 . 2 2 21 21 GLU N N 15 120.763 0.01 . 1 . . . . 358 GLU N . 7025 1 1674 . 2 2 22 22 PHE H H 1 8.107 0.015 . 1 . . . . 359 PHE H . 7025 1 1675 . 2 2 22 22 PHE HA H 1 4.046 0.025 . 1 . . . . 359 PHE HA . 7025 1 1676 . 2 2 22 22 PHE HB2 H 1 2.383 0.03 . 2 . . . . 359 PHE HB2 . 7025 1 1677 . 2 2 22 22 PHE HB3 H 1 2.688 0.03 . 2 . . . . 359 PHE HB3 . 7025 1 1678 . 2 2 22 22 PHE HD1 H 1 6.764 0.03 . 3 . . . . 359 PHE HD2 . 7025 1 1679 . 2 2 22 22 PHE HD2 H 1 6.764 0.03 . 3 . . . . 359 PHE HD3 . 7025 1 1680 . 2 2 22 22 PHE HE2 H 1 6.934 0.03 . 3 . . . . 359 PHE HE2 . 7025 1 1681 . 2 2 22 22 PHE C C 13 174.744 0.003 . 1 . . . . 359 PHE C . 7025 1 1682 . 2 2 22 22 PHE CA C 13 58.112 0.02 . 1 . . . . 359 PHE CA . 7025 1 1683 . 2 2 22 22 PHE CB C 13 41.516 0.016 . 1 . . . . 359 PHE CB . 7025 1 1684 . 2 2 22 22 PHE N N 15 119.251 0.015 . 1 . . . . 359 PHE N . 7025 1 1685 . 2 2 23 23 PHE H H 1 8.666 0.012 . 1 . . . . 360 PHE H . 7025 1 1686 . 2 2 23 23 PHE HA H 1 4.68 0.03 . 1 . . . . 360 PHE HA . 7025 1 1687 . 2 2 23 23 PHE HB2 H 1 2.461 0.03 . 2 . . . . 360 PHE HB2 . 7025 1 1688 . 2 2 23 23 PHE HB3 H 1 3.24 0.03 . 2 . . . . 360 PHE HB3 . 7025 1 1689 . 2 2 23 23 PHE HD1 H 1 7.164 0.03 . 3 . . . . 360 PHE HD2 . 7025 1 1690 . 2 2 23 23 PHE HD2 H 1 7.16 0.03 . 3 . . . . 360 PHE HD3 . 7025 1 1691 . 2 2 23 23 PHE C C 13 175.267 0.007 . 1 . . . . 360 PHE C . 7025 1 1692 . 2 2 23 23 PHE CA C 13 56.242 0.06 . 1 . . . . 360 PHE CA . 7025 1 1693 . 2 2 23 23 PHE CB C 13 42.93 0.091 . 1 . . . . 360 PHE CB . 7025 1 1694 . 2 2 23 23 PHE N N 15 119.984 0.063 . 1 . . . . 360 PHE N . 7025 1 1695 . 2 2 24 24 ASP H H 1 8.979 0.012 . 1 . . . . 361 ASP H . 7025 1 1696 . 2 2 24 24 ASP HA H 1 4.331 0.03 . 1 . . . . 361 ASP HA . 7025 1 1697 . 2 2 24 24 ASP HB2 H 1 2.382 0.03 . 2 . . . . 361 ASP HB2 . 7025 1 1698 . 2 2 24 24 ASP HB3 H 1 2.547 0.03 . 2 . . . . 361 ASP HB3 . 7025 1 1699 . 2 2 24 24 ASP C C 13 175.5 0.009 . 1 . . . . 361 ASP C . 7025 1 1700 . 2 2 24 24 ASP CA C 13 56.394 0.028 . 1 . . . . 361 ASP CA . 7025 1 1701 . 2 2 24 24 ASP CB C 13 39.782 0.037 . 1 . . . . 361 ASP CB . 7025 1 1702 . 2 2 24 24 ASP N N 15 123.121 0.042 . 1 . . . . 361 ASP N . 7025 1 1703 . 2 2 25 25 ALA H H 1 8.269 0.014 . 1 . . . . 362 ALA H . 7025 1 1704 . 2 2 25 25 ALA HA H 1 4.545 0.004 . 1 . . . . 362 ALA HA . 7025 1 1705 . 2 2 25 25 ALA HB1 H 1 1.16 0.03 . 1 . . . . 362 ALA HB . 7025 1 1706 . 2 2 25 25 ALA HB2 H 1 1.16 0.03 . 1 . . . . 362 ALA HB . 7025 1 1707 . 2 2 25 25 ALA HB3 H 1 1.16 0.03 . 1 . . . . 362 ALA HB . 7025 1 1708 . 2 2 25 25 ALA C C 13 174.157 0.3 . 1 . . . . 362 ALA C . 7025 1 1709 . 2 2 25 25 ALA CA C 13 49.119 0.046 . 1 . . . . 362 ALA CA . 7025 1 1710 . 2 2 25 25 ALA CB C 13 18.659 0.3 . 1 . . . . 362 ALA CB . 7025 1 1711 . 2 2 25 25 ALA N N 15 126.097 0.035 . 1 . . . . 362 ALA N . 7025 1 1712 . 2 2 26 26 PRO HA H 1 4.614 0.03 . 1 . . . . 363 PRO HA . 7025 1 1713 . 2 2 26 26 PRO HB2 H 1 2.258 0.03 . 2 . . . . 363 PRO HB2 . 7025 1 1714 . 2 2 26 26 PRO HB3 H 1 2.29 0.03 . 2 . . . . 363 PRO HB3 . 7025 1 1715 . 2 2 26 26 PRO HG2 H 1 2.131 0.03 . 2 . . . . 363 PRO HG2 . 7025 1 1716 . 2 2 26 26 PRO HG3 H 1 2.343 0.03 . 2 . . . . 363 PRO HG3 . 7025 1 1717 . 2 2 26 26 PRO C C 13 176.003 0.3 . 1 . . . . 363 PRO C . 7025 1 1718 . 2 2 26 26 PRO CA C 13 62.784 0.005 . 1 . . . . 363 PRO CA . 7025 1 1719 . 2 2 26 26 PRO CB C 13 32.71 0.049 . 1 . . . . 363 PRO CB . 7025 1 1720 . 2 2 26 26 PRO CG C 13 27.538 0.3 . 1 . . . . 363 PRO CG . 7025 1 1721 . 2 2 27 27 GLU H H 1 8.667 0.015 . 1 . . . . 364 GLU H . 7025 1 1722 . 2 2 27 27 GLU HA H 1 4.827 0.03 . 1 . . . . 364 GLU HA . 7025 1 1723 . 2 2 27 27 GLU HB2 H 1 2.03 0.03 . 1 . . . . 364 GLU HB2 . 7025 1 1724 . 2 2 27 27 GLU HB3 H 1 2.03 0.03 . 1 . . . . 364 GLU HB3 . 7025 1 1725 . 2 2 27 27 GLU HG2 H 1 2.481 0.03 . 2 . . . . 364 GLU HG2 . 7025 1 1726 . 2 2 27 27 GLU HG3 H 1 2.681 0.03 . 2 . . . . 364 GLU HG3 . 7025 1 1727 . 2 2 27 27 GLU C C 13 176.542 0.001 . 1 . . . . 364 GLU C . 7025 1 1728 . 2 2 27 27 GLU CA C 13 57.118 0.035 . 1 . . . . 364 GLU CA . 7025 1 1729 . 2 2 27 27 GLU CB C 13 31.415 0.153 . 1 . . . . 364 GLU CB . 7025 1 1730 . 2 2 27 27 GLU CG C 13 37.028 0.3 . 1 . . . . 364 GLU CG . 7025 1 1731 . 2 2 27 27 GLU N N 15 117.576 0.037 . 1 . . . . 364 GLU N . 7025 1 1732 . 2 2 28 28 ILE H H 1 7.38 0.014 . 1 . . . . 365 ILE H . 7025 1 1733 . 2 2 28 28 ILE HA H 1 4.347 0.03 . 1 . . . . 365 ILE HA . 7025 1 1734 . 2 2 28 28 ILE HB H 1 1.701 0.03 . 1 . . . . 365 ILE HB . 7025 1 1735 . 2 2 28 28 ILE HG12 H 1 1.369 0.03 . 2 . . . . 365 ILE HG12 . 7025 1 1736 . 2 2 28 28 ILE HG13 H 1 1.007 0.03 . 2 . . . . 365 ILE HG13 . 7025 1 1737 . 2 2 28 28 ILE HG21 H 1 0.798 0.03 . 1 . . . . 365 ILE HG2 . 7025 1 1738 . 2 2 28 28 ILE HG22 H 1 0.798 0.03 . 1 . . . . 365 ILE HG2 . 7025 1 1739 . 2 2 28 28 ILE HG23 H 1 0.798 0.03 . 1 . . . . 365 ILE HG2 . 7025 1 1740 . 2 2 28 28 ILE HD11 H 1 0.798 0.03 . 1 . . . . 365 ILE HD1 . 7025 1 1741 . 2 2 28 28 ILE HD12 H 1 0.798 0.03 . 1 . . . . 365 ILE HD1 . 7025 1 1742 . 2 2 28 28 ILE HD13 H 1 0.798 0.03 . 1 . . . . 365 ILE HD1 . 7025 1 1743 . 2 2 28 28 ILE C C 13 174.698 0.003 . 1 . . . . 365 ILE C . 7025 1 1744 . 2 2 28 28 ILE CA C 13 60.059 0.113 . 1 . . . . 365 ILE CA . 7025 1 1745 . 2 2 28 28 ILE CB C 13 41.552 0.068 . 1 . . . . 365 ILE CB . 7025 1 1746 . 2 2 28 28 ILE CG1 C 13 27.278 0.3 . 1 . . . . 365 ILE CG1 . 7025 1 1747 . 2 2 28 28 ILE CG2 C 13 17.267 0.3 . 1 . . . . 365 ILE CG2 . 7025 1 1748 . 2 2 28 28 ILE CD1 C 13 13.504 0.3 . 1 . . . . 365 ILE CD1 . 7025 1 1749 . 2 2 28 28 ILE N N 15 116.061 0.063 . 1 . . . . 365 ILE N . 7025 1 1750 . 2 2 29 29 ILE H H 1 8.25 0.013 . 1 . . . . 366 ILE H . 7025 1 1751 . 2 2 29 29 ILE HA H 1 4.142 0.03 . 1 . . . . 366 ILE HA . 7025 1 1752 . 2 2 29 29 ILE HB H 1 1.617 0.03 . 1 . . . . 366 ILE HB . 7025 1 1753 . 2 2 29 29 ILE HG12 H 1 1.022 0.03 . 2 . . . . 366 ILE HG12 . 7025 1 1754 . 2 2 29 29 ILE HG13 H 1 1.342 0.03 . 2 . . . . 366 ILE HG13 . 7025 1 1755 . 2 2 29 29 ILE HG21 H 1 0.644 0.03 . 1 . . . . 366 ILE HG2 . 7025 1 1756 . 2 2 29 29 ILE HG22 H 1 0.644 0.03 . 1 . . . . 366 ILE HG2 . 7025 1 1757 . 2 2 29 29 ILE HG23 H 1 0.644 0.03 . 1 . . . . 366 ILE HG2 . 7025 1 1758 . 2 2 29 29 ILE HD11 H 1 0.762 0.03 . 1 . . . . 366 ILE HD1 . 7025 1 1759 . 2 2 29 29 ILE HD12 H 1 0.762 0.03 . 1 . . . . 366 ILE HD1 . 7025 1 1760 . 2 2 29 29 ILE HD13 H 1 0.762 0.03 . 1 . . . . 366 ILE HD1 . 7025 1 1761 . 2 2 29 29 ILE C C 13 175.848 0.3 . 1 . . . . 366 ILE C . 7025 1 1762 . 2 2 29 29 ILE CA C 13 60.791 0.025 . 1 . . . . 366 ILE CA . 7025 1 1763 . 2 2 29 29 ILE CB C 13 39.161 0.128 . 1 . . . . 366 ILE CB . 7025 1 1764 . 2 2 29 29 ILE CG1 C 13 27.774 0.3 . 1 . . . . 366 ILE CG1 . 7025 1 1765 . 2 2 29 29 ILE CG2 C 13 12.762 0.3 . 1 . . . . 366 ILE CG2 . 7025 1 1766 . 2 2 29 29 ILE CD1 C 13 17.488 0.3 . 1 . . . . 366 ILE CD1 . 7025 1 1767 . 2 2 29 29 ILE N N 15 125.129 0.039 . 1 . . . . 366 ILE N . 7025 1 1768 . 2 2 30 30 THR H H 1 8.236 0.014 . 1 . . . . 367 THR H . 7025 1 1769 . 2 2 30 30 THR HA H 1 4.274 0.03 . 1 . . . . 367 THR HA . 7025 1 1770 . 2 2 30 30 THR HB H 1 4.038 0.03 . 1 . . . . 367 THR HB . 7025 1 1771 . 2 2 30 30 THR HG21 H 1 1.111 0.03 . 1 . . . . 367 THR HG2 . 7025 1 1772 . 2 2 30 30 THR HG22 H 1 1.111 0.03 . 1 . . . . 367 THR HG2 . 7025 1 1773 . 2 2 30 30 THR HG23 H 1 1.111 0.03 . 1 . . . . 367 THR HG2 . 7025 1 1774 . 2 2 30 30 THR C C 13 173.971 0.001 . 1 . . . . 367 THR C . 7025 1 1775 . 2 2 30 30 THR CA C 13 61.66 0.046 . 1 . . . . 367 THR CA . 7025 1 1776 . 2 2 30 30 THR CB C 13 69.79 0.04 . 1 . . . . 367 THR CB . 7025 1 1777 . 2 2 30 30 THR CG2 C 13 21.728 0.3 . 1 . . . . 367 THR CG2 . 7025 1 1778 . 2 2 30 30 THR N N 15 120.302 0.018 . 1 . . . . 367 THR N . 7025 1 1779 . 2 2 31 31 MET H H 1 8.373 0.013 . 1 . . . . 368 MET H . 7025 1 1780 . 2 2 31 31 MET HA H 1 4.73 0.03 . 1 . . . . 368 MET HA . 7025 1 1781 . 2 2 31 31 MET HB2 H 1 1.877 0.006 . 2 . . . . 368 MET HB2 . 7025 1 1782 . 2 2 31 31 MET HB3 H 1 1.992 0.03 . 2 . . . . 368 MET HB3 . 7025 1 1783 . 2 2 31 31 MET HG2 H 1 2.475 0.03 . 2 . . . . 368 MET HG2 . 7025 1 1784 . 2 2 31 31 MET HG3 H 1 2.555 0.03 . 2 . . . . 368 MET HG3 . 7025 1 1785 . 2 2 31 31 MET C C 13 174.052 0.3 . 1 . . . . 368 MET C . 7025 1 1786 . 2 2 31 31 MET CA C 13 53.114 0.069 . 1 . . . . 368 MET CA . 7025 1 1787 . 2 2 31 31 MET CB C 13 32.48 0.3 . 1 . . . . 368 MET CB . 7025 1 1788 . 2 2 31 31 MET N N 15 124.323 0.006 . 1 . . . . 368 MET N . 7025 1 1789 . 2 2 32 32 PRO HA H 1 4.313 0.03 . 1 . . . . 369 PRO HA . 7025 1 1790 . 2 2 32 32 PRO HB2 H 1 1.846 0.03 . 2 . . . . 369 PRO HB2 . 7025 1 1791 . 2 2 32 32 PRO HB3 H 1 2.221 0.03 . 2 . . . . 369 PRO HB3 . 7025 1 1792 . 2 2 32 32 PRO HG2 H 1 1.962 0.03 . 1 . . . . 369 PRO HG2 . 7025 1 1793 . 2 2 32 32 PRO HG3 H 1 1.962 0.03 . 1 . . . . 369 PRO HG3 . 7025 1 1794 . 2 2 32 32 PRO HD2 H 1 3.604 0.03 . 2 . . . . 369 PRO HD2 . 7025 1 1795 . 2 2 32 32 PRO HD3 H 1 3.744 0.03 . 2 . . . . 369 PRO HD3 . 7025 1 1796 . 2 2 32 32 PRO C C 13 176.94 0.3 . 1 . . . . 369 PRO C . 7025 1 1797 . 2 2 32 32 PRO CA C 13 63.308 0.027 . 1 . . . . 369 PRO CA . 7025 1 1798 . 2 2 32 32 PRO CB C 13 32.067 0.016 . 1 . . . . 369 PRO CB . 7025 1 1799 . 2 2 32 32 PRO CG C 13 27.375 0.3 . 1 . . . . 369 PRO CG . 7025 1 1800 . 2 2 33 33 GLU H H 1 8.552 0.014 . 1 . . . . 370 GLU H . 7025 1 1801 . 2 2 33 33 GLU HA H 1 4.122 0.03 . 1 . . . . 370 GLU HA . 7025 1 1802 . 2 2 33 33 GLU HB2 H 1 1.902 0.03 . 1 . . . . 370 GLU HB2 . 7025 1 1803 . 2 2 33 33 GLU HB3 H 1 1.902 0.03 . 1 . . . . 370 GLU HB3 . 7025 1 1804 . 2 2 33 33 GLU HG2 H 1 2.185 0.03 . 1 . . . . 370 GLU HG2 . 7025 1 1805 . 2 2 33 33 GLU HG3 H 1 2.185 0.03 . 1 . . . . 370 GLU HG3 . 7025 1 1806 . 2 2 33 33 GLU C C 13 176.338 0.003 . 1 . . . . 370 GLU C . 7025 1 1807 . 2 2 33 33 GLU CA C 13 57.065 0.052 . 1 . . . . 370 GLU CA . 7025 1 1808 . 2 2 33 33 GLU CB C 13 30.401 0.177 . 1 . . . . 370 GLU CB . 7025 1 1809 . 2 2 33 33 GLU CG C 13 36.312 0.3 . 1 . . . . 370 GLU CG . 7025 1 1810 . 2 2 33 33 GLU N N 15 120.794 0.004 . 1 . . . . 370 GLU N . 7025 1 1811 . 2 2 34 34 ASN H H 1 8.374 0.013 . 1 . . . . 371 ASN H . 7025 1 1812 . 2 2 34 34 ASN HA H 1 4.614 0.03 . 1 . . . . 371 ASN HA . 7025 1 1813 . 2 2 34 34 ASN HB2 H 1 2.688 0.03 . 2 . . . . 371 ASN HB2 . 7025 1 1814 . 2 2 34 34 ASN HB3 H 1 2.766 0.03 . 2 . . . . 371 ASN HB3 . 7025 1 1815 . 2 2 34 34 ASN HD21 H 1 6.823 0.03 . 2 . . . . 371 ASN HD22 . 7025 1 1816 . 2 2 34 34 ASN HD22 H 1 7.532 0.03 . 2 . . . . 371 ASN HD23 . 7025 1 1817 . 2 2 34 34 ASN C C 13 175.186 0.001 . 1 . . . . 371 ASN C . 7025 1 1818 . 2 2 34 34 ASN CA C 13 53.273 0.09 . 1 . . . . 371 ASN CA . 7025 1 1819 . 2 2 34 34 ASN CB C 13 38.63 0.192 . 1 . . . . 371 ASN CB . 7025 1 1820 . 2 2 34 34 ASN N N 15 119.068 0.006 . 1 . . . . 371 ASN N . 7025 1 1821 . 2 2 34 34 ASN ND2 N 15 112.585 0.001 . 1 . . . . 371 ASN ND2 . 7025 1 1822 . 2 2 35 35 LEU H H 1 8.117 0.012 . 1 . . . . 372 LEU H . 7025 1 1823 . 2 2 35 35 LEU HA H 1 4.233 0.03 . 1 . . . . 372 LEU HA . 7025 1 1824 . 2 2 35 35 LEU HB2 H 1 1.524 0.03 . 1 . . . . 372 LEU HB2 . 7025 1 1825 . 2 2 35 35 LEU HB3 H 1 1.524 0.03 . 1 . . . . 372 LEU HB3 . 7025 1 1826 . 2 2 35 35 LEU HG H 1 1.524 0.03 . 1 . . . . 372 LEU HG . 7025 1 1827 . 2 2 35 35 LEU HD11 H 1 0.811 0.03 . 2 . . . . 372 LEU HD1 . 7025 1 1828 . 2 2 35 35 LEU HD12 H 1 0.811 0.03 . 2 . . . . 372 LEU HD1 . 7025 1 1829 . 2 2 35 35 LEU HD13 H 1 0.811 0.03 . 2 . . . . 372 LEU HD1 . 7025 1 1830 . 2 2 35 35 LEU HD21 H 1 0.811 0.03 . 2 . . . . 372 LEU HD2 . 7025 1 1831 . 2 2 35 35 LEU HD22 H 1 0.811 0.03 . 2 . . . . 372 LEU HD2 . 7025 1 1832 . 2 2 35 35 LEU HD23 H 1 0.811 0.03 . 2 . . . . 372 LEU HD2 . 7025 1 1833 . 2 2 35 35 LEU C C 13 177.874 0.3 . 1 . . . . 372 LEU C . 7025 1 1834 . 2 2 35 35 LEU CA C 13 55.527 0.065 . 1 . . . . 372 LEU CA . 7025 1 1835 . 2 2 35 35 LEU CB C 13 42.136 0.079 . 1 . . . . 372 LEU CB . 7025 1 1836 . 2 2 35 35 LEU CG C 13 26.37 0.3 . 1 . . . . 372 LEU CG . 7025 1 1837 . 2 2 35 35 LEU CD1 C 13 23.163 0.3 . 2 . . . . 372 LEU CD1 . 7025 1 1838 . 2 2 35 35 LEU CD2 C 13 25.019 0.3 . 2 . . . . 372 LEU CD2 . 7025 1 1839 . 2 2 35 35 LEU N N 15 122.396 0.01 . 1 . . . . 372 LEU N . 7025 1 1840 . 2 2 36 36 GLY H H 1 8.294 0.013 . 1 . . . . 373 GLY H . 7025 1 1841 . 2 2 36 36 GLY HA2 H 1 3.818 0.03 . 1 . . . . 373 GLY HA2 . 7025 1 1842 . 2 2 36 36 GLY HA3 H 1 3.818 0.03 . 1 . . . . 373 GLY HA3 . 7025 1 1843 . 2 2 36 36 GLY C C 13 174.123 0.001 . 1 . . . . 373 GLY C . 7025 1 1844 . 2 2 36 36 GLY CA C 13 45.575 0.047 . 1 . . . . 373 GLY CA . 7025 1 1845 . 2 2 36 36 GLY N N 15 108.605 0.031 . 1 . . . . 373 GLY N . 7025 1 1846 . 2 2 37 37 HIS H H 1 8.025 0.017 . 1 . . . . 374 HIS H . 7025 1 1847 . 2 2 37 37 HIS HA H 1 4.573 0.03 . 1 . . . . 374 HIS HA . 7025 1 1848 . 2 2 37 37 HIS HB2 H 1 3.034 0.03 . 1 . . . . 374 HIS HB2 . 7025 1 1849 . 2 2 37 37 HIS HB3 H 1 3.034 0.03 . 1 . . . . 374 HIS HB3 . 7025 1 1850 . 2 2 37 37 HIS C C 13 175.336 0.002 . 1 . . . . 374 HIS C . 7025 1 1851 . 2 2 37 37 HIS CA C 13 56.214 0.125 . 1 . . . . 374 HIS CA . 7025 1 1852 . 2 2 37 37 HIS CB C 13 30.501 0.14 . 1 . . . . 374 HIS CB . 7025 1 1853 . 2 2 37 37 HIS N N 15 119.056 0.12 . 1 . . . . 374 HIS N . 7025 1 1854 . 2 2 38 38 LYS H H 1 8.201 0.014 . 1 . . . . 375 LYS H . 7025 1 1855 . 2 2 38 38 LYS HA H 1 4.215 0.03 . 1 . . . . 375 LYS HA . 7025 1 1856 . 2 2 38 38 LYS HB2 H 1 1.714 0.03 . 1 . . . . 375 LYS HB2 . 7025 1 1857 . 2 2 38 38 LYS HB3 H 1 1.714 0.03 . 1 . . . . 375 LYS HB3 . 7025 1 1858 . 2 2 38 38 LYS HG2 H 1 1.289 0.03 . 1 . . . . 375 LYS HG2 . 7025 1 1859 . 2 2 38 38 LYS HG3 H 1 1.289 0.03 . 1 . . . . 375 LYS HG3 . 7025 1 1860 . 2 2 38 38 LYS HD2 H 1 1.612 0.03 . 2 . . . . 375 LYS HD2 . 7025 1 1861 . 2 2 38 38 LYS HD3 H 1 1.616 0.03 . 2 . . . . 375 LYS HD3 . 7025 1 1862 . 2 2 38 38 LYS HE2 H 1 2.9 0.03 . 1 . . . . 375 LYS HE2 . 7025 1 1863 . 2 2 38 38 LYS HE3 H 1 2.9 0.03 . 1 . . . . 375 LYS HE3 . 7025 1 1864 . 2 2 38 38 LYS C C 13 176.471 0.004 . 1 . . . . 375 LYS C . 7025 1 1865 . 2 2 38 38 LYS CA C 13 56.358 0.059 . 1 . . . . 375 LYS CA . 7025 1 1866 . 2 2 38 38 LYS CB C 13 32.85 0.041 . 1 . . . . 375 LYS CB . 7025 1 1867 . 2 2 38 38 LYS CG C 13 24.781 0.3 . 1 . . . . 375 LYS CG . 7025 1 1868 . 2 2 38 38 LYS CD C 13 29.059 0.3 . 1 . . . . 375 LYS CD . 7025 1 1869 . 2 2 38 38 LYS CE C 13 42.026 0.3 . 1 . . . . 375 LYS CE . 7025 1 1870 . 2 2 38 38 LYS N N 15 122.343 0.027 . 1 . . . . 375 LYS N . 7025 1 1871 . 2 2 39 39 ARG H H 1 8.403 0.012 . 1 . . . . 376 ARG H . 7025 1 1872 . 2 2 39 39 ARG HA H 1 4.329 0.03 . 1 . . . . 376 ARG HA . 7025 1 1873 . 2 2 39 39 ARG HB2 H 1 1.726 0.03 . 2 . . . . 376 ARG HB2 . 7025 1 1874 . 2 2 39 39 ARG HB3 H 1 1.785 0.03 . 2 . . . . 376 ARG HB3 . 7025 1 1875 . 2 2 39 39 ARG HG2 H 1 1.545 0.03 . 1 . . . . 376 ARG HG2 . 7025 1 1876 . 2 2 39 39 ARG HG3 H 1 1.545 0.03 . 1 . . . . 376 ARG HG3 . 7025 1 1877 . 2 2 39 39 ARG HD2 H 1 3.084 0.03 . 1 . . . . 376 ARG HD2 . 7025 1 1878 . 2 2 39 39 ARG HD3 H 1 3.084 0.03 . 1 . . . . 376 ARG HD3 . 7025 1 1879 . 2 2 39 39 ARG C C 13 176.534 0.001 . 1 . . . . 376 ARG C . 7025 1 1880 . 2 2 39 39 ARG CA C 13 56.228 0.111 . 1 . . . . 376 ARG CA . 7025 1 1881 . 2 2 39 39 ARG CB C 13 30.718 0.055 . 1 . . . . 376 ARG CB . 7025 1 1882 . 2 2 39 39 ARG CG C 13 27.072 0.3 . 1 . . . . 376 ARG CG . 7025 1 1883 . 2 2 39 39 ARG CD C 13 43.309 0.3 . 1 . . . . 376 ARG CD . 7025 1 1884 . 2 2 39 39 ARG N N 15 122.512 0.055 . 1 . . . . 376 ARG N . 7025 1 1885 . 2 2 40 40 THR H H 1 8.169 0.015 . 1 . . . . 377 THR H . 7025 1 1886 . 2 2 40 40 THR HA H 1 4.301 0.03 . 1 . . . . 377 THR HA . 7025 1 1887 . 2 2 40 40 THR HB H 1 4.177 0.03 . 1 . . . . 377 THR HB . 7025 1 1888 . 2 2 40 40 THR HG21 H 1 1.133 0.03 . 1 . . . . 377 THR HG2 . 7025 1 1889 . 2 2 40 40 THR HG22 H 1 1.133 0.03 . 1 . . . . 377 THR HG2 . 7025 1 1890 . 2 2 40 40 THR HG23 H 1 1.133 0.03 . 1 . . . . 377 THR HG2 . 7025 1 1891 . 2 2 40 40 THR C C 13 175.036 0.002 . 1 . . . . 377 THR C . 7025 1 1892 . 2 2 40 40 THR CA C 13 61.968 0.052 . 1 . . . . 377 THR CA . 7025 1 1893 . 2 2 40 40 THR CB C 13 69.881 0.035 . 1 . . . . 377 THR CB . 7025 1 1894 . 2 2 40 40 THR CG2 C 13 21.532 0.3 . 1 . . . . 377 THR CG2 . 7025 1 1895 . 2 2 40 40 THR N N 15 115.157 0.016 . 1 . . . . 377 THR N . 7025 1 1896 . 2 2 41 41 GLY H H 1 8.416 0.013 . 1 . . . . 378 GLY H . 7025 1 1897 . 2 2 41 41 GLY HA2 H 1 3.94 0.03 . 1 . . . . 378 GLY HA2 . 7025 1 1898 . 2 2 41 41 GLY HA3 H 1 3.94 0.03 . 1 . . . . 378 GLY HA3 . 7025 1 1899 . 2 2 41 41 GLY C C 13 174.128 0.3 . 1 . . . . 378 GLY C . 7025 1 1900 . 2 2 41 41 GLY CA C 13 45.433 0.073 . 1 . . . . 378 GLY CA . 7025 1 1901 . 2 2 41 41 GLY N N 15 111.147 0.015 . 1 . . . . 378 GLY N . 7025 1 1902 . 2 2 42 42 SER H H 1 8.192 0.016 . 1 . . . . 379 SER H . 7025 1 1903 . 2 2 42 42 SER HA H 1 4.327 0.001 . 1 . . . . 379 SER HA . 7025 1 1904 . 2 2 42 42 SER HB2 H 1 3.711 0.03 . 1 . . . . 379 SER HB2 . 7025 1 1905 . 2 2 42 42 SER HB3 H 1 3.711 0.03 . 1 . . . . 379 SER HB3 . 7025 1 1906 . 2 2 42 42 SER C C 13 174.427 0.3 . 1 . . . . 379 SER C . 7025 1 1907 . 2 2 42 42 SER CA C 13 58.613 0.061 . 1 . . . . 379 SER CA . 7025 1 1908 . 2 2 42 42 SER CB C 13 63.981 0.074 . 1 . . . . 379 SER CB . 7025 1 1909 . 2 2 42 42 SER N N 15 115.472 0.039 . 1 . . . . 379 SER N . 7025 1 stop_ save_