data_18518 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18518 _Entry.Title ; LC3B OPTN-LIR Ptot complex structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-13 _Entry.Accession_date 2012-06-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details 'Complex structure of the autophagy modifier LC3B with synthetic OPTN-LIR peptide in totally phosphorylated form (all five serines are phosphoserines)' _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 Vladimir Rogov . V. . 18518 2 Alexis Rozenknop . . . 18518 3 Frank Loehr . . . 18518 4 Peter Guentert . . . 18518 5 Volker Doetsch . . . 18518 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18518 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'LC3 proteins' . 18518 Phosphoserine . 18518 'Protein-peptide complex' . 18518 'Selective autophagy' . 18518 'Signaling protein' . 18518 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18518 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 548 18518 '15N chemical shifts' 141 18518 '1H chemical shifts' 1028 18518 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 . . 2014-02-19 2012-06-13 update BMRB 'update entry citation' 18518 1 . . 2013-07-15 2012-06-13 original author 'original release' 18518 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LUE 'BMRB Entry Tracking System' 18518 PDB 3VTU 'Free LC3B crystall structure' 18518 PDB 3VTV 'OPTN LIR-LC3B crystall structure' 18518 PDB 3VTW 'T7 OPTN LIR-LC3B crystall structure' 18518 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18518 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23805866 _Citation.Full_citation . _Citation.Title 'Structural basis for phosphorylation-triggered autophagic clearance of Salmonella.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 454 _Citation.Journal_issue 3 _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 459 _Citation.Page_last 466 _Citation.Year 2013 _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 Vladimir Rogov . V. . 18518 1 2 Hironori Suzuki . . . 18518 1 3 Evgenij Fiskin . . . 18518 1 4 Philipp Wild . . . 18518 1 5 Andreas Kniss . . . 18518 1 6 Alexis Rozenknop . . . 18518 1 7 Ryuichi Kato . . . 18518 1 8 Masato Kawasaki . . . 18518 1 9 David McEwan . G. . 18518 1 10 Frank Lohr . . . 18518 1 11 Peter Guntert . . . 18518 1 12 Ivan Dikic . . . 18518 1 13 Soichi Wakatsuki . . . 18518 1 14 Volker Dotsch . . . 18518 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18518 _Assembly.ID 1 _Assembly.Name 'LC3B OPTN-LIR Ptot complex structure' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 18518 1 2 entity_2 2 $entity_2 B . yes native no no . . . 18518 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18518 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGKTFKQRRTFEQRVEDV RLIREQHPTKIPVIIERYKG EKQLPVLDKTKFLVPDHVNM SELIKIIRRRLQLNANQAFF LLVNGHSMVSVSTPISEVYE SEKDEDGFLYMVYASQETF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 are expression tag. Residues 5-119 correspond to residues 5-119 of human Microtubule-associated proteins 1A/1B light chain 3B (UniProtKB entry Q9GZQ8)' _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13965.232 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9GZQ8 . LC3B . . . . . . . . . . . . . . 18518 1 2 no BMRB 15877 . LC3 . . . . . 96.64 121 98.26 100.00 5.34e-76 . . . . 18518 1 3 no PDB 1UGM . "Crystal Structure Of Lc3" . . . . . 96.64 125 98.26 100.00 9.30e-76 . . . . 18518 1 4 no PDB 1V49 . "Solution Structure Of Microtubule-Associated Protein Light Chain-3" . . . . . 96.64 120 100.00 100.00 8.46e-77 . . . . 18518 1 5 no PDB 2K6Q . "Lc3 P62 Complex Structure" . . . . . 96.64 121 98.26 100.00 5.34e-76 . . . . 18518 1 6 no PDB 2LUE . "Lc3b Optn-lir Ptot Complex Structure" . . . . . 100.00 119 100.00 100.00 1.12e-80 . . . . 18518 1 7 no PDB 2Z0D . "The Crystal Structure Of Human Atg4b- Lc3(1-120) Complex" . . . . . 96.64 125 98.26 100.00 9.30e-76 . . . . 18518 1 8 no PDB 2Z0E . "The Crystal Structure Of Human Atg4b- Lc3(1-124) Complex" . . . . . 96.64 129 98.26 100.00 6.68e-76 . . . . 18518 1 9 no PDB 2ZJD . "Crystal Structure Of Lc3-P62 Complex" . . . . . 96.64 130 100.00 100.00 8.68e-77 . . . . 18518 1 10 no PDB 2ZZP . "The Crystal Structure Of Human Atg4b(C74s)- Lc3(1-124) Complex" . . . . . 96.64 129 98.26 100.00 6.68e-76 . . . . 18518 1 11 no PDB 3VTU . "Crystal Structure Of Human Lc3b_2-119" . . . . . 96.64 123 100.00 100.00 1.47e-76 . . . . 18518 1 12 no PDB 3VTV . "Crystal Structure Of Optineurin Lir-fused Human Lc3b_2-119" . . . . . 100.00 134 97.48 97.48 5.30e-77 . . . . 18518 1 13 no PDB 3VTW . "Crystal Structure Of T7-tagged Optineurin Lir-fused Human Lc3b_2-119" . . . . . 100.00 149 97.48 97.48 4.78e-77 . . . . 18518 1 14 no PDB 3WAO . "Crystal Structure Of Atg13 Lir-fused Human Lc3b_2-119" . . . . . 96.64 134 100.00 100.00 9.88e-77 . . . . 18518 1 15 no PDB 3X0W . "Crystal Structure Of Plekhm1 Lir-fused Human Lc3b_2-119" . . . . . 96.64 134 100.00 100.00 1.11e-76 . . . . 18518 1 16 no PDB 4WAA . "Crystal Structure Of Nix Lir-fused Human Lc3b_2-119" . . . . . 96.64 134 100.00 100.00 1.22e-76 . . . . 18518 1 17 no PDB 5D94 . "Crystal Structure Of Lc3-lir Peptide Complex" . . . . . 96.64 130 100.00 100.00 8.68e-77 . . . . 18518 1 18 no DBJ BAB15169 . "unnamed protein product [Homo sapiens]" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 19 no DBJ BAB22364 . "unnamed protein product [Mus musculus]" . . . . . 96.64 125 98.26 100.00 3.68e-76 . . . . 18518 1 20 no DBJ BAB22569 . "unnamed protein product [Mus musculus]" . . . . . 96.64 125 98.26 100.00 3.68e-76 . . . . 18518 1 21 no DBJ BAB22641 . "unnamed protein product [Mus musculus]" . . . . . 96.64 125 97.39 100.00 1.12e-75 . . . . 18518 1 22 no DBJ BAB22855 . "unnamed protein product [Mus musculus]" . . . . . 96.64 125 98.26 100.00 3.68e-76 . . . . 18518 1 23 no EMBL CAD38970 . "hypothetical protein [Homo sapiens]" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 24 no EMBL CAG31435 . "hypothetical protein RCJMB04_6g16 [Gallus gallus]" . . . . . 96.64 125 97.39 100.00 1.75e-75 . . . . 18518 1 25 no EMBL CAL38438 . "hypothetical protein [synthetic construct]" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 26 no GB AAA20645 . "light chain 3 subunit of microtubule-associated proteins 1A and 1B [Rattus norvegicus]" . . . . . 96.64 142 98.26 100.00 2.28e-76 . . . . 18518 1 27 no GB AAB72082 . "polyprotein, partial [Bovine viral diarrhea virus 1]" . . . . . 96.64 932 98.26 98.26 3.36e-69 . . . . 18518 1 28 no GB AAG09686 . "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 29 no GB AAG23182 . "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 30 no GB AAH18634 . "Microtubule-associated protein 1 light chain 3 beta [Homo sapiens]" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 31 no REF NP_001001169 . "microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" . . . . . 96.64 125 99.13 99.13 1.89e-76 . . . . 18518 1 32 no REF NP_001026632 . "microtubule-associated proteins 1A/1B light chain 3B [Gallus gallus]" . . . . . 96.64 125 97.39 100.00 1.75e-75 . . . . 18518 1 33 no REF NP_001078950 . "microtubule-associated proteins 1A/1B light chain 3 beta 2 precursor [Homo sapiens]" . . . . . 96.64 125 99.13 99.13 7.08e-76 . . . . 18518 1 34 no REF NP_001177219 . "microtubule-associated proteins 1A/1B light chain 3B [Sus scrofa]" . . . . . 96.64 125 99.13 99.13 1.89e-76 . . . . 18518 1 35 no REF NP_001180554 . "microtubule-associated protein 1 light chain 3 beta [Macaca mulatta]" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 36 no SP A6NCE7 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3 beta 2; AltName: Full=Microtubule-associated proteins 1A/1B l" . . . . . 96.64 125 99.13 99.13 7.08e-76 . . . . 18518 1 37 no SP O41515 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 96.64 125 99.13 99.13 1.89e-76 . . . . 18518 1 38 no SP Q62625 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 96.64 142 98.26 100.00 2.28e-76 . . . . 18518 1 39 no SP Q9CQV6 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 96.64 125 98.26 100.00 3.68e-76 . . . . 18518 1 40 no SP Q9GZQ8 . "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" . . . . . 96.64 125 100.00 100.00 5.82e-77 . . . . 18518 1 41 no TPG DAA20021 . "TPA: microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" . . . . . 96.64 125 99.13 99.13 1.89e-76 . . . . 18518 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 . GLY . 18518 1 2 . ALA . 18518 1 3 . MET . 18518 1 4 . GLY . 18518 1 5 . LYS . 18518 1 6 . THR . 18518 1 7 . PHE . 18518 1 8 . LYS . 18518 1 9 . GLN . 18518 1 10 . ARG . 18518 1 11 . ARG . 18518 1 12 . THR . 18518 1 13 . PHE . 18518 1 14 . GLU . 18518 1 15 . GLN . 18518 1 16 . ARG . 18518 1 17 . VAL . 18518 1 18 . GLU . 18518 1 19 . ASP . 18518 1 20 . VAL . 18518 1 21 . ARG . 18518 1 22 . LEU . 18518 1 23 . ILE . 18518 1 24 . ARG . 18518 1 25 . GLU . 18518 1 26 . GLN . 18518 1 27 . HIS . 18518 1 28 . PRO . 18518 1 29 . THR . 18518 1 30 . LYS . 18518 1 31 . ILE . 18518 1 32 . PRO . 18518 1 33 . VAL . 18518 1 34 . ILE . 18518 1 35 . ILE . 18518 1 36 . GLU . 18518 1 37 . ARG . 18518 1 38 . TYR . 18518 1 39 . LYS . 18518 1 40 . GLY . 18518 1 41 . GLU . 18518 1 42 . LYS . 18518 1 43 . GLN . 18518 1 44 . LEU . 18518 1 45 . PRO . 18518 1 46 . VAL . 18518 1 47 . LEU . 18518 1 48 . ASP . 18518 1 49 . LYS . 18518 1 50 . THR . 18518 1 51 . LYS . 18518 1 52 . PHE . 18518 1 53 . LEU . 18518 1 54 . VAL . 18518 1 55 . PRO . 18518 1 56 . ASP . 18518 1 57 . HIS . 18518 1 58 . VAL . 18518 1 59 . ASN . 18518 1 60 . MET . 18518 1 61 . SER . 18518 1 62 . GLU . 18518 1 63 . LEU . 18518 1 64 . ILE . 18518 1 65 . LYS . 18518 1 66 . ILE . 18518 1 67 . ILE . 18518 1 68 . ARG . 18518 1 69 . ARG . 18518 1 70 . ARG . 18518 1 71 . LEU . 18518 1 72 . GLN . 18518 1 73 . LEU . 18518 1 74 . ASN . 18518 1 75 . ALA . 18518 1 76 . ASN . 18518 1 77 . GLN . 18518 1 78 . ALA . 18518 1 79 . PHE . 18518 1 80 . PHE . 18518 1 81 . LEU . 18518 1 82 . LEU . 18518 1 83 . VAL . 18518 1 84 . ASN . 18518 1 85 . GLY . 18518 1 86 . HIS . 18518 1 87 . SER . 18518 1 88 . MET . 18518 1 89 . VAL . 18518 1 90 . SER . 18518 1 91 . VAL . 18518 1 92 . SER . 18518 1 93 . THR . 18518 1 94 . PRO . 18518 1 95 . ILE . 18518 1 96 . SER . 18518 1 97 . GLU . 18518 1 98 . VAL . 18518 1 99 . TYR . 18518 1 100 . GLU . 18518 1 101 . SER . 18518 1 102 . GLU . 18518 1 103 . LYS . 18518 1 104 . ASP . 18518 1 105 . GLU . 18518 1 106 . ASP . 18518 1 107 . GLY . 18518 1 108 . PHE . 18518 1 109 . LEU . 18518 1 110 . TYR . 18518 1 111 . MET . 18518 1 112 . VAL . 18518 1 113 . TYR . 18518 1 114 . ALA . 18518 1 115 . SER . 18518 1 116 . GLN . 18518 1 117 . GLU . 18518 1 118 . THR . 18518 1 119 . PHE . 18518 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 18518 1 . ALA 2 2 18518 1 . MET 3 3 18518 1 . GLY 4 4 18518 1 . LYS 5 5 18518 1 . THR 6 6 18518 1 . PHE 7 7 18518 1 . LYS 8 8 18518 1 . GLN 9 9 18518 1 . ARG 10 10 18518 1 . ARG 11 11 18518 1 . THR 12 12 18518 1 . PHE 13 13 18518 1 . GLU 14 14 18518 1 . GLN 15 15 18518 1 . ARG 16 16 18518 1 . VAL 17 17 18518 1 . GLU 18 18 18518 1 . ASP 19 19 18518 1 . VAL 20 20 18518 1 . ARG 21 21 18518 1 . LEU 22 22 18518 1 . ILE 23 23 18518 1 . ARG 24 24 18518 1 . GLU 25 25 18518 1 . GLN 26 26 18518 1 . HIS 27 27 18518 1 . PRO 28 28 18518 1 . THR 29 29 18518 1 . LYS 30 30 18518 1 . ILE 31 31 18518 1 . PRO 32 32 18518 1 . VAL 33 33 18518 1 . ILE 34 34 18518 1 . ILE 35 35 18518 1 . GLU 36 36 18518 1 . ARG 37 37 18518 1 . TYR 38 38 18518 1 . LYS 39 39 18518 1 . GLY 40 40 18518 1 . GLU 41 41 18518 1 . LYS 42 42 18518 1 . GLN 43 43 18518 1 . LEU 44 44 18518 1 . PRO 45 45 18518 1 . VAL 46 46 18518 1 . LEU 47 47 18518 1 . ASP 48 48 18518 1 . LYS 49 49 18518 1 . THR 50 50 18518 1 . LYS 51 51 18518 1 . PHE 52 52 18518 1 . LEU 53 53 18518 1 . VAL 54 54 18518 1 . PRO 55 55 18518 1 . ASP 56 56 18518 1 . HIS 57 57 18518 1 . VAL 58 58 18518 1 . ASN 59 59 18518 1 . MET 60 60 18518 1 . SER 61 61 18518 1 . GLU 62 62 18518 1 . LEU 63 63 18518 1 . ILE 64 64 18518 1 . LYS 65 65 18518 1 . ILE 66 66 18518 1 . ILE 67 67 18518 1 . ARG 68 68 18518 1 . ARG 69 69 18518 1 . ARG 70 70 18518 1 . LEU 71 71 18518 1 . GLN 72 72 18518 1 . LEU 73 73 18518 1 . ASN 74 74 18518 1 . ALA 75 75 18518 1 . ASN 76 76 18518 1 . GLN 77 77 18518 1 . ALA 78 78 18518 1 . PHE 79 79 18518 1 . PHE 80 80 18518 1 . LEU 81 81 18518 1 . LEU 82 82 18518 1 . VAL 83 83 18518 1 . ASN 84 84 18518 1 . GLY 85 85 18518 1 . HIS 86 86 18518 1 . SER 87 87 18518 1 . MET 88 88 18518 1 . VAL 89 89 18518 1 . SER 90 90 18518 1 . VAL 91 91 18518 1 . SER 92 92 18518 1 . THR 93 93 18518 1 . PRO 94 94 18518 1 . ILE 95 95 18518 1 . SER 96 96 18518 1 . GLU 97 97 18518 1 . VAL 98 98 18518 1 . TYR 99 99 18518 1 . GLU 100 100 18518 1 . SER 101 101 18518 1 . GLU 102 102 18518 1 . LYS 103 103 18518 1 . ASP 104 104 18518 1 . GLU 105 105 18518 1 . ASP 106 106 18518 1 . GLY 107 107 18518 1 . PHE 108 108 18518 1 . LEU 109 109 18518 1 . TYR 110 110 18518 1 . MET 111 111 18518 1 . VAL 112 112 18518 1 . TYR 113 113 18518 1 . ALA 114 114 18518 1 . SER 115 115 18518 1 . GLN 116 116 18518 1 . GLU 117 117 18518 1 . THR 118 118 18518 1 . PHE 119 119 18518 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18518 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code NXXGXXEDXFVEIRMAE _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 169-185 correspond to residues 169-185 of human Optineurin sequence (UniProtKB entry Q96CV9). All serines in the peptide are phosphoserines (SEP).' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2245.827 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q96CV9 . OPTN-LIR . . . . . . . . . . . . . . 18518 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 201 ASN . 18518 2 2 202 SEP . 18518 2 3 203 SEP . 18518 2 4 204 GLY . 18518 2 5 205 SEP . 18518 2 6 206 SEP . 18518 2 7 207 GLU . 18518 2 8 208 ASP . 18518 2 9 209 SEP . 18518 2 10 210 PHE . 18518 2 11 211 VAL . 18518 2 12 212 GLU . 18518 2 13 213 ILE . 18518 2 14 214 ARG . 18518 2 15 215 MET . 18518 2 16 216 ALA . 18518 2 17 217 GLU . 18518 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 . ASN 1 1 18518 2 . SEP 2 2 18518 2 . SEP 3 3 18518 2 . GLY 4 4 18518 2 . SEP 5 5 18518 2 . SEP 6 6 18518 2 . GLU 7 7 18518 2 . ASP 8 8 18518 2 . SEP 9 9 18518 2 . PHE 10 10 18518 2 . VAL 11 11 18518 2 . GLU 12 12 18518 2 . ILE 13 13 18518 2 . ARG 14 14 18518 2 . MET 15 15 18518 2 . ALA 16 16 18518 2 . GLU 17 17 18518 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 18518 _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 $entity_1 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18518 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18518 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 18518 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'NEB T7 Express' . . . . . . . . . . . . . . . pETm60_UB3 . . . . . . 18518 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18518 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 18518 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 18518 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 18518 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18518 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 18518 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 18518 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 18518 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 18518 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18518 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 18518 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 18518 SEP CA CA CA CA . C . . S 0 . . . 1 no no . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 18518 SEP CB CB CB CB . C . . N 0 . . . 1 no no . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 18518 SEP OG OG OG OG . O . . N 0 . . . 1 no no . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 18518 SEP C C C C . C . . N 0 . . . 1 no no . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 18518 SEP O O O O . O . . N 0 . . . 1 no no . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 18518 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 18518 SEP P P P P . P . . N 0 . . . 1 no no . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 18518 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 18518 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 18518 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 18518 SEP H H H H . H . . N 0 . . . 1 no no . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 18518 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 18518 SEP HA HA HA HA . H . . N 0 . . . 1 no no . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 18518 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 18518 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 18518 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 18518 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 18518 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 18518 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 18518 SEP 2 . SING N H no N 2 . 18518 SEP 3 . SING N H2 no N 3 . 18518 SEP 4 . SING CA CB no N 4 . 18518 SEP 5 . SING CA C no N 5 . 18518 SEP 6 . SING CA HA no N 6 . 18518 SEP 7 . SING CB OG no N 7 . 18518 SEP 8 . SING CB HB2 no N 8 . 18518 SEP 9 . SING CB HB3 no N 9 . 18518 SEP 10 . SING OG P no N 10 . 18518 SEP 11 . DOUB C O no N 11 . 18518 SEP 12 . SING C OXT no N 12 . 18518 SEP 13 . SING OXT HXT no N 13 . 18518 SEP 14 . DOUB P O1P no N 14 . 18518 SEP 15 . SING P O2P no N 15 . 18518 SEP 16 . SING P O3P no N 16 . 18518 SEP 17 . SING O2P HOP2 no N 17 . 18518 SEP 18 . SING O3P HOP3 no N 18 . 18518 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18518 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Assignment and distance restraints of LC3B in complex with OPTN-LIR Ptot' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.6 . . mM 0.05 . . . 18518 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 4.9 . . mM 0.5 . . . 18518 1 3 'sodium phosphate' 'natural abundance' . . . . . . 70 . . mM . . . . 18518 1 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 18518 1 5 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 18518 1 6 'Protease inhibitors cocktail' 'natural abundance' . . . . . . 5 . . mM . . . . 18518 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18518 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18518 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18518 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Assignment and distance restraints of OPTN-LIR in complex with LC3B Ptot' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 2.5 . . mM 0.05 . . . 18518 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.4 . . mM 0.04 . . . 18518 2 3 'sodium phosphate' 'natural abundance' . . . . . . 70 . . mM . . . . 18518 2 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 18518 2 5 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 18518 2 6 'Protease inhibitors cocktail' 'natural abundance' . . . . . . 5 . . mM . . . . 18518 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18518 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18518 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18518 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Conditions for assignments and distance restraints of LC3B / OPTN-LIR Ptot complex' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18518 1 pH 6.8 . pH 18518 1 pressure 1 . atm 18518 1 temperature 288 . K 18518 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18518 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18518 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18518 1 collection 18518 1 processing 18518 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18518 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18518 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18518 2 'data analysis' 18518 2 'peak picking' 18518 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18518 _Software.ID 3 _Software.Name CYANA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18518 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18518 3 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 18518 _Software.ID 4 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Guntert' . . 18518 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18518 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18518 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18518 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18518 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18518 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 18518 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18518 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 18518 1 2 spectrometer_2 Bruker Avance . 800 . . . 18518 1 3 spectrometer_3 Bruker Avance . 700 . . . 18518 1 4 spectrometer_4 Bruker Avance . 600 . . . 18518 1 5 spectrometer_5 Bruker Avance . 500 . . . 18518 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18518 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18518 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18518 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 18518 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18518 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18518 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18518 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18518 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18518 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18518 1 10 '3D NOESY-[13C,1H]-HSQC 13C/15N filtered in F1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18518 1 11 '2D 1H-1H NOESY F1,F2 13C/15N filtered' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18518 1 12 '3D NOESY-[15N,1H]-FHSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18518 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18518 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18518 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18518 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18518 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18518 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.13 _Assigned_chem_shift_list.Chem_shift_15N_err 0.13 _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 4 '3D HNCACB' . . . 18518 1 5 '3D HNCO' . . . 18518 1 6 '3D HCCH-TOCSY' . . . 18518 1 11 '2D 1H-1H NOESY F1,F2 13C/15N filtered' . . . 18518 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.833 0.030 . 2 . . . A 1 GLY HA2 . 18518 1 2 . 1 1 1 1 GLY HA3 H 1 3.833 0.030 . 2 . . . A 1 GLY HA3 . 18518 1 3 . 1 1 1 1 GLY H H 1 7.885 0.030 . 1 . . . A 1 GLY H1 . 18518 1 4 . 1 1 1 1 GLY CA C 13 43.514 0.030 . 1 . . . A 1 GLY CA . 18518 1 5 . 1 1 1 1 GLY N N 15 106.960 0.030 . 1 . . . A 1 GLY N . 18518 1 6 . 1 1 2 2 ALA HA H 1 4.336 0.030 . 1 . . . A 2 ALA HA . 18518 1 7 . 1 1 2 2 ALA HB1 H 1 1.402 0.030 . 1 . . . A 2 ALA HB1 . 18518 1 8 . 1 1 2 2 ALA HB2 H 1 1.402 0.030 . 1 . . . A 2 ALA HB2 . 18518 1 9 . 1 1 2 2 ALA HB3 H 1 1.402 0.030 . 1 . . . A 2 ALA HB3 . 18518 1 10 . 1 1 2 2 ALA C C 13 177.974 0.030 . 1 . . . A 2 ALA C . 18518 1 11 . 1 1 2 2 ALA CA C 13 52.785 0.030 . 1 . . . A 2 ALA CA . 18518 1 12 . 1 1 2 2 ALA CB C 13 19.444 0.030 . 1 . . . A 2 ALA CB . 18518 1 13 . 1 1 3 3 MET H H 1 8.638 0.030 . 1 . . . A 3 MET H . 18518 1 14 . 1 1 3 3 MET HA H 1 4.451 0.030 . 1 . . . A 3 MET HA . 18518 1 15 . 1 1 3 3 MET HB2 H 1 2.077 0.030 . 2 . . . A 3 MET HB2 . 18518 1 16 . 1 1 3 3 MET HB3 H 1 2.077 0.030 . 2 . . . A 3 MET HB3 . 18518 1 17 . 1 1 3 3 MET HG2 H 1 2.598 0.030 . 2 . . . A 3 MET HG2 . 18518 1 18 . 1 1 3 3 MET HG3 H 1 2.598 0.030 . 2 . . . A 3 MET HG3 . 18518 1 19 . 1 1 3 3 MET C C 13 176.913 0.030 . 1 . . . A 3 MET C . 18518 1 20 . 1 1 3 3 MET CA C 13 55.679 0.030 . 1 . . . A 3 MET CA . 18518 1 21 . 1 1 3 3 MET CB C 13 32.590 0.030 . 1 . . . A 3 MET CB . 18518 1 22 . 1 1 3 3 MET CG C 13 32.086 0.030 . 1 . . . A 3 MET CG . 18518 1 23 . 1 1 3 3 MET N N 15 119.311 0.030 . 1 . . . A 3 MET N . 18518 1 24 . 1 1 4 4 GLY H H 1 8.552 0.030 . 1 . . . A 4 GLY H . 18518 1 25 . 1 1 4 4 GLY HA2 H 1 3.940 0.030 . 2 . . . A 4 GLY HA2 . 18518 1 26 . 1 1 4 4 GLY HA3 H 1 3.940 0.030 . 2 . . . A 4 GLY HA3 . 18518 1 27 . 1 1 4 4 GLY C C 13 174.180 0.030 . 1 . . . A 4 GLY C . 18518 1 28 . 1 1 4 4 GLY CA C 13 45.495 0.030 . 1 . . . A 4 GLY CA . 18518 1 29 . 1 1 4 4 GLY N N 15 110.281 0.030 . 1 . . . A 4 GLY N . 18518 1 30 . 1 1 5 5 LYS H H 1 8.133 0.030 . 1 . . . A 5 LYS H . 18518 1 31 . 1 1 5 5 LYS HA H 1 4.509 0.030 . 1 . . . A 5 LYS HA . 18518 1 32 . 1 1 5 5 LYS HB2 H 1 1.768 0.030 . 1 . . . A 5 LYS HB2 . 18518 1 33 . 1 1 5 5 LYS HB3 H 1 1.721 0.030 . 1 . . . A 5 LYS HB3 . 18518 1 34 . 1 1 5 5 LYS HG2 H 1 1.489 0.030 . 1 . . . A 5 LYS HG2 . 18518 1 35 . 1 1 5 5 LYS HG3 H 1 1.341 0.030 . 1 . . . A 5 LYS HG3 . 18518 1 36 . 1 1 5 5 LYS HD2 H 1 1.551 0.030 . 1 . . . A 5 LYS HD2 . 18518 1 37 . 1 1 5 5 LYS HD3 H 1 1.551 0.030 . 1 . . . A 5 LYS HD3 . 18518 1 38 . 1 1 5 5 LYS HE2 H 1 2.945 0.030 . 1 . . . A 5 LYS HE2 . 18518 1 39 . 1 1 5 5 LYS HE3 H 1 2.945 0.030 . 1 . . . A 5 LYS HE3 . 18518 1 40 . 1 1 5 5 LYS C C 13 177.605 0.030 . 1 . . . A 5 LYS C . 18518 1 41 . 1 1 5 5 LYS CA C 13 56.134 0.030 . 1 . . . A 5 LYS CA . 18518 1 42 . 1 1 5 5 LYS CB C 13 34.813 0.030 . 1 . . . A 5 LYS CB . 18518 1 43 . 1 1 5 5 LYS CG C 13 25.585 0.030 . 1 . . . A 5 LYS CG . 18518 1 44 . 1 1 5 5 LYS CD C 13 29.497 0.030 . 1 . . . A 5 LYS CD . 18518 1 45 . 1 1 5 5 LYS CE C 13 42.170 0.030 . 1 . . . A 5 LYS CE . 18518 1 46 . 1 1 5 5 LYS N N 15 120.818 0.030 . 1 . . . A 5 LYS N . 18518 1 47 . 1 1 6 6 THR H H 1 8.483 0.030 . 1 . . . A 6 THR H . 18518 1 48 . 1 1 6 6 THR HA H 1 4.421 0.030 . 1 . . . A 6 THR HA . 18518 1 49 . 1 1 6 6 THR HB H 1 4.986 0.030 . 1 . . . A 6 THR HB . 18518 1 50 . 1 1 6 6 THR HG21 H 1 1.239 0.030 . 1 . . . A 6 THR HG21 . 18518 1 51 . 1 1 6 6 THR HG22 H 1 1.239 0.030 . 1 . . . A 6 THR HG22 . 18518 1 52 . 1 1 6 6 THR HG23 H 1 1.239 0.030 . 1 . . . A 6 THR HG23 . 18518 1 53 . 1 1 6 6 THR C C 13 175.524 0.030 . 1 . . . A 6 THR C . 18518 1 54 . 1 1 6 6 THR CA C 13 61.127 0.030 . 1 . . . A 6 THR CA . 18518 1 55 . 1 1 6 6 THR CB C 13 69.926 0.030 . 1 . . . A 6 THR CB . 18518 1 56 . 1 1 6 6 THR CG2 C 13 21.938 0.030 . 1 . . . A 6 THR CG2 . 18518 1 57 . 1 1 6 6 THR N N 15 114.781 0.030 . 1 . . . A 6 THR N . 18518 1 58 . 1 1 7 7 PHE H H 1 10.245 0.030 . 1 . . . A 7 PHE H . 18518 1 59 . 1 1 7 7 PHE HA H 1 4.005 0.030 . 1 . . . A 7 PHE HA . 18518 1 60 . 1 1 7 7 PHE HB2 H 1 3.136 0.030 . 2 . . . A 7 PHE HB2 . 18518 1 61 . 1 1 7 7 PHE HB3 H 1 3.007 0.030 . 2 . . . A 7 PHE HB3 . 18518 1 62 . 1 1 7 7 PHE HD1 H 1 7.346 0.030 . 3 . . . A 7 PHE HD1 . 18518 1 63 . 1 1 7 7 PHE HD2 H 1 7.346 0.030 . 3 . . . A 7 PHE HD2 . 18518 1 64 . 1 1 7 7 PHE HE1 H 1 7.209 0.030 . 3 . . . A 7 PHE HE1 . 18518 1 65 . 1 1 7 7 PHE HE2 H 1 7.209 0.030 . 3 . . . A 7 PHE HE2 . 18518 1 66 . 1 1 7 7 PHE HZ H 1 7.366 0.030 . 1 . . . A 7 PHE HZ . 18518 1 67 . 1 1 7 7 PHE C C 13 177.397 0.030 . 1 . . . A 7 PHE C . 18518 1 68 . 1 1 7 7 PHE CA C 13 63.393 0.030 . 1 . . . A 7 PHE CA . 18518 1 69 . 1 1 7 7 PHE CB C 13 39.567 0.030 . 1 . . . A 7 PHE CB . 18518 1 70 . 1 1 7 7 PHE CD1 C 13 131.312 0.030 . 3 . . . A 7 PHE CD1 . 18518 1 71 . 1 1 7 7 PHE CE1 C 13 131.327 0.030 . 3 . . . A 7 PHE CE1 . 18518 1 72 . 1 1 7 7 PHE CZ C 13 128.082 0.030 . 1 . . . A 7 PHE CZ . 18518 1 73 . 1 1 7 7 PHE N N 15 125.552 0.030 . 1 . . . A 7 PHE N . 18518 1 74 . 1 1 8 8 LYS H H 1 8.775 0.030 . 1 . . . A 8 LYS H . 18518 1 75 . 1 1 8 8 LYS HA H 1 3.835 0.030 . 1 . . . A 8 LYS HA . 18518 1 76 . 1 1 8 8 LYS HB2 H 1 1.672 0.030 . 1 . . . A 8 LYS HB2 . 18518 1 77 . 1 1 8 8 LYS HB3 H 1 1.672 0.030 . 1 . . . A 8 LYS HB3 . 18518 1 78 . 1 1 8 8 LYS HG2 H 1 1.715 0.030 . 1 . . . A 8 LYS HG2 . 18518 1 79 . 1 1 8 8 LYS HG3 H 1 1.238 0.030 . 1 . . . A 8 LYS HG3 . 18518 1 80 . 1 1 8 8 LYS HD2 H 1 1.474 0.030 . 1 . . . A 8 LYS HD2 . 18518 1 81 . 1 1 8 8 LYS HD3 H 1 1.385 0.030 . 1 . . . A 8 LYS HD3 . 18518 1 82 . 1 1 8 8 LYS HE2 H 1 2.680 0.030 . 1 . . . A 8 LYS HE2 . 18518 1 83 . 1 1 8 8 LYS HE3 H 1 2.130 0.030 . 1 . . . A 8 LYS HE3 . 18518 1 84 . 1 1 8 8 LYS C C 13 175.520 0.030 . 1 . . . A 8 LYS C . 18518 1 85 . 1 1 8 8 LYS CA C 13 59.993 0.030 . 1 . . . A 8 LYS CA . 18518 1 86 . 1 1 8 8 LYS CB C 13 33.689 0.030 . 1 . . . A 8 LYS CB . 18518 1 87 . 1 1 8 8 LYS CG C 13 27.017 0.030 . 1 . . . A 8 LYS CG . 18518 1 88 . 1 1 8 8 LYS CD C 13 30.927 0.030 . 1 . . . A 8 LYS CD . 18518 1 89 . 1 1 8 8 LYS CE C 13 41.764 0.030 . 1 . . . A 8 LYS CE . 18518 1 90 . 1 1 8 8 LYS N N 15 114.053 0.030 . 1 . . . A 8 LYS N . 18518 1 91 . 1 1 9 9 GLN H H 1 7.355 0.030 . 1 . . . A 9 GLN H . 18518 1 92 . 1 1 9 9 GLN HA H 1 4.149 0.030 . 1 . . . A 9 GLN HA . 18518 1 93 . 1 1 9 9 GLN HB2 H 1 2.248 0.030 . 2 . . . A 9 GLN HB2 . 18518 1 94 . 1 1 9 9 GLN HB3 H 1 1.975 0.030 . 2 . . . A 9 GLN HB3 . 18518 1 95 . 1 1 9 9 GLN HG2 H 1 2.345 0.030 . 2 . . . A 9 GLN HG2 . 18518 1 96 . 1 1 9 9 GLN HG3 H 1 2.345 0.030 . 2 . . . A 9 GLN HG3 . 18518 1 97 . 1 1 9 9 GLN HE21 H 1 7.607 0.030 . 2 . . . A 9 GLN HE21 . 18518 1 98 . 1 1 9 9 GLN HE22 H 1 6.881 0.030 . 2 . . . A 9 GLN HE22 . 18518 1 99 . 1 1 9 9 GLN C C 13 177.615 0.030 . 1 . . . A 9 GLN C . 18518 1 100 . 1 1 9 9 GLN CA C 13 56.819 0.030 . 1 . . . A 9 GLN CA . 18518 1 101 . 1 1 9 9 GLN CB C 13 30.019 0.030 . 1 . . . A 9 GLN CB . 18518 1 102 . 1 1 9 9 GLN CG C 13 34.681 0.030 . 1 . . . A 9 GLN CG . 18518 1 103 . 1 1 9 9 GLN CD C 13 180.738 0.030 . 1 . . . A 9 GLN CD . 18518 1 104 . 1 1 9 9 GLN N N 15 113.516 0.030 . 1 . . . A 9 GLN N . 18518 1 105 . 1 1 9 9 GLN NE2 N 15 111.896 0.030 . 1 . . . A 9 GLN NE2 . 18518 1 106 . 1 1 10 10 ARG H H 1 7.936 0.030 . 1 . . . A 10 ARG H . 18518 1 107 . 1 1 10 10 ARG HA H 1 4.302 0.030 . 1 . . . A 10 ARG HA . 18518 1 108 . 1 1 10 10 ARG HB2 H 1 1.906 0.030 . 1 . . . A 10 ARG HB2 . 18518 1 109 . 1 1 10 10 ARG HB3 H 1 1.628 0.030 . 1 . . . A 10 ARG HB3 . 18518 1 110 . 1 1 10 10 ARG HG2 H 1 1.656 0.030 . 1 . . . A 10 ARG HG2 . 18518 1 111 . 1 1 10 10 ARG HG3 H 1 1.589 0.030 . 1 . . . A 10 ARG HG3 . 18518 1 112 . 1 1 10 10 ARG HD2 H 1 3.142 0.030 . 1 . . . A 10 ARG HD2 . 18518 1 113 . 1 1 10 10 ARG HD3 H 1 3.142 0.030 . 1 . . . A 10 ARG HD3 . 18518 1 114 . 1 1 10 10 ARG HE H 1 8.345 0.030 . 1 . . . A 10 ARG HE . 18518 1 115 . 1 1 10 10 ARG HH12 H 1 6.880 0.030 . 1 . . . A 10 ARG HH12 . 18518 1 116 . 1 1 10 10 ARG HH22 H 1 7.560 0.030 . 1 . . . A 10 ARG HH22 . 18518 1 117 . 1 1 10 10 ARG C C 13 179.380 0.030 . 1 . . . A 10 ARG C . 18518 1 118 . 1 1 10 10 ARG CA C 13 57.268 0.030 . 1 . . . A 10 ARG CA . 18518 1 119 . 1 1 10 10 ARG CB C 13 31.642 0.030 . 1 . . . A 10 ARG CB . 18518 1 120 . 1 1 10 10 ARG CG C 13 27.752 0.030 . 1 . . . A 10 ARG CG . 18518 1 121 . 1 1 10 10 ARG CD C 13 43.493 0.030 . 1 . . . A 10 ARG CD . 18518 1 122 . 1 1 10 10 ARG N N 15 118.294 0.030 . 1 . . . A 10 ARG N . 18518 1 123 . 1 1 10 10 ARG NE N 15 84.900 0.030 . 1 . . . A 10 ARG NE . 18518 1 124 . 1 1 11 11 ARG H H 1 7.390 0.030 . 1 . . . A 11 ARG H . 18518 1 125 . 1 1 11 11 ARG HA H 1 4.680 0.030 . 1 . . . A 11 ARG HA . 18518 1 126 . 1 1 11 11 ARG HB2 H 1 1.387 0.030 . 1 . . . A 11 ARG HB2 . 18518 1 127 . 1 1 11 11 ARG HB3 H 1 0.851 0.030 . 1 . . . A 11 ARG HB3 . 18518 1 128 . 1 1 11 11 ARG HG2 H 1 1.275 0.030 . 1 . . . A 11 ARG HG2 . 18518 1 129 . 1 1 11 11 ARG HG3 H 1 1.275 0.030 . 1 . . . A 11 ARG HG3 . 18518 1 130 . 1 1 11 11 ARG HD2 H 1 3.043 0.030 . 1 . . . A 11 ARG HD2 . 18518 1 131 . 1 1 11 11 ARG HD3 H 1 2.815 0.030 . 1 . . . A 11 ARG HD3 . 18518 1 132 . 1 1 11 11 ARG HE H 1 8.525 0.030 . 1 . . . A 11 ARG HE . 18518 1 133 . 1 1 11 11 ARG HH12 H 1 7.215 0.030 . 1 . . . A 11 ARG HH12 . 18518 1 134 . 1 1 11 11 ARG HH22 H 1 7.256 0.030 . 1 . . . A 11 ARG HH22 . 18518 1 135 . 1 1 11 11 ARG CA C 13 53.453 0.030 . 1 . . . A 11 ARG CA . 18518 1 136 . 1 1 11 11 ARG CB C 13 32.938 0.030 . 1 . . . A 11 ARG CB . 18518 1 137 . 1 1 11 11 ARG CG C 13 26.625 0.030 . 1 . . . A 11 ARG CG . 18518 1 138 . 1 1 11 11 ARG CD C 13 43.000 0.030 . 1 . . . A 11 ARG CD . 18518 1 139 . 1 1 11 11 ARG N N 15 121.137 0.030 . 1 . . . A 11 ARG N . 18518 1 140 . 1 1 11 11 ARG NE N 15 84.210 0.030 . 1 . . . A 11 ARG NE . 18518 1 141 . 1 1 11 11 ARG NH1 N 15 72.531 0.030 . 1 . . . A 11 ARG NH1 . 18518 1 142 . 1 1 11 11 ARG NH2 N 15 72.478 0.030 . 1 . . . A 11 ARG NH2 . 18518 1 143 . 1 1 12 12 THR H H 1 8.953 0.030 . 1 . . . A 12 THR H . 18518 1 144 . 1 1 12 12 THR HA H 1 4.359 0.030 . 1 . . . A 12 THR HA . 18518 1 145 . 1 1 12 12 THR HB H 1 4.753 0.030 . 1 . . . A 12 THR HB . 18518 1 146 . 1 1 12 12 THR HG21 H 1 1.348 0.030 . 1 . . . A 12 THR HG21 . 18518 1 147 . 1 1 12 12 THR HG22 H 1 1.348 0.030 . 1 . . . A 12 THR HG22 . 18518 1 148 . 1 1 12 12 THR HG23 H 1 1.348 0.030 . 1 . . . A 12 THR HG23 . 18518 1 149 . 1 1 12 12 THR C C 13 174.989 0.030 . 1 . . . A 12 THR C . 18518 1 150 . 1 1 12 12 THR CA C 13 61.748 0.030 . 1 . . . A 12 THR CA . 18518 1 151 . 1 1 12 12 THR CB C 13 71.068 0.030 . 1 . . . A 12 THR CB . 18518 1 152 . 1 1 12 12 THR CG2 C 13 22.026 0.030 . 1 . . . A 12 THR CG2 . 18518 1 153 . 1 1 12 12 THR N N 15 116.819 0.030 . 1 . . . A 12 THR N . 18518 1 154 . 1 1 13 13 PHE H H 1 9.284 0.030 . 1 . . . A 13 PHE H . 18518 1 155 . 1 1 13 13 PHE HA H 1 4.028 0.030 . 1 . . . A 13 PHE HA . 18518 1 156 . 1 1 13 13 PHE HB2 H 1 3.357 0.030 . 2 . . . A 13 PHE HB2 . 18518 1 157 . 1 1 13 13 PHE HB3 H 1 3.001 0.030 . 2 . . . A 13 PHE HB3 . 18518 1 158 . 1 1 13 13 PHE HD1 H 1 7.311 0.030 . 3 . . . A 13 PHE HD1 . 18518 1 159 . 1 1 13 13 PHE HD2 H 1 7.311 0.030 . 3 . . . A 13 PHE HD2 . 18518 1 160 . 1 1 13 13 PHE HE1 H 1 7.209 0.030 . 3 . . . A 13 PHE HE1 . 18518 1 161 . 1 1 13 13 PHE HE2 H 1 7.209 0.030 . 3 . . . A 13 PHE HE2 . 18518 1 162 . 1 1 13 13 PHE HZ H 1 7.135 0.030 . 1 . . . A 13 PHE HZ . 18518 1 163 . 1 1 13 13 PHE C C 13 176.029 0.030 . 1 . . . A 13 PHE C . 18518 1 164 . 1 1 13 13 PHE CA C 13 62.864 0.030 . 1 . . . A 13 PHE CA . 18518 1 165 . 1 1 13 13 PHE CB C 13 39.560 0.030 . 1 . . . A 13 PHE CB . 18518 1 166 . 1 1 13 13 PHE CD2 C 13 131.874 0.030 . 3 . . . A 13 PHE CD2 . 18518 1 167 . 1 1 13 13 PHE CE2 C 13 131.327 0.030 . 3 . . . A 13 PHE CE2 . 18518 1 168 . 1 1 13 13 PHE CZ C 13 129.798 0.030 . 1 . . . A 13 PHE CZ . 18518 1 169 . 1 1 13 13 PHE N N 15 123.200 0.030 . 1 . . . A 13 PHE N . 18518 1 170 . 1 1 14 14 GLU H H 1 8.973 0.030 . 1 . . . A 14 GLU H . 18518 1 171 . 1 1 14 14 GLU HA H 1 3.794 0.030 . 1 . . . A 14 GLU HA . 18518 1 172 . 1 1 14 14 GLU HB2 H 1 2.066 0.030 . 1 . . . A 14 GLU HB2 . 18518 1 173 . 1 1 14 14 GLU HB3 H 1 1.970 0.030 . 1 . . . A 14 GLU HB3 . 18518 1 174 . 1 1 14 14 GLU HG2 H 1 2.551 0.030 . 1 . . . A 14 GLU HG2 . 18518 1 175 . 1 1 14 14 GLU HG3 H 1 2.405 0.030 . 1 . . . A 14 GLU HG3 . 18518 1 176 . 1 1 14 14 GLU C C 13 180.081 0.030 . 1 . . . A 14 GLU C . 18518 1 177 . 1 1 14 14 GLU CA C 13 60.619 0.030 . 1 . . . A 14 GLU CA . 18518 1 178 . 1 1 14 14 GLU CB C 13 28.852 0.030 . 1 . . . A 14 GLU CB . 18518 1 179 . 1 1 14 14 GLU CG C 13 37.580 0.030 . 1 . . . A 14 GLU CG . 18518 1 180 . 1 1 14 14 GLU N N 15 115.414 0.030 . 1 . . . A 14 GLU N . 18518 1 181 . 1 1 15 15 GLN H H 1 7.756 0.030 . 1 . . . A 15 GLN H . 18518 1 182 . 1 1 15 15 GLN HA H 1 4.000 0.030 . 1 . . . A 15 GLN HA . 18518 1 183 . 1 1 15 15 GLN HB2 H 1 2.369 0.030 . 2 . . . A 15 GLN HB2 . 18518 1 184 . 1 1 15 15 GLN HB3 H 1 1.864 0.030 . 2 . . . A 15 GLN HB3 . 18518 1 185 . 1 1 15 15 GLN HG2 H 1 2.464 0.030 . 2 . . . A 15 GLN HG2 . 18518 1 186 . 1 1 15 15 GLN HG3 H 1 2.355 0.030 . 2 . . . A 15 GLN HG3 . 18518 1 187 . 1 1 15 15 GLN HE21 H 1 7.753 0.030 . 2 . . . A 15 GLN HE21 . 18518 1 188 . 1 1 15 15 GLN HE22 H 1 6.965 0.030 . 2 . . . A 15 GLN HE22 . 18518 1 189 . 1 1 15 15 GLN C C 13 177.978 0.030 . 1 . . . A 15 GLN C . 18518 1 190 . 1 1 15 15 GLN CA C 13 58.835 0.030 . 1 . . . A 15 GLN CA . 18518 1 191 . 1 1 15 15 GLN CB C 13 29.370 0.030 . 1 . . . A 15 GLN CB . 18518 1 192 . 1 1 15 15 GLN CG C 13 34.935 0.030 . 1 . . . A 15 GLN CG . 18518 1 193 . 1 1 15 15 GLN CD C 13 180.549 0.030 . 1 . . . A 15 GLN CD . 18518 1 194 . 1 1 15 15 GLN N N 15 119.276 0.030 . 1 . . . A 15 GLN N . 18518 1 195 . 1 1 15 15 GLN NE2 N 15 112.918 0.030 . 1 . . . A 15 GLN NE2 . 18518 1 196 . 1 1 16 16 ARG H H 1 8.645 0.030 . 1 . . . A 16 ARG H . 18518 1 197 . 1 1 16 16 ARG HA H 1 4.270 0.030 . 1 . . . A 16 ARG HA . 18518 1 198 . 1 1 16 16 ARG HB2 H 1 2.215 0.030 . 1 . . . A 16 ARG HB2 . 18518 1 199 . 1 1 16 16 ARG HB3 H 1 2.215 0.030 . 1 . . . A 16 ARG HB3 . 18518 1 200 . 1 1 16 16 ARG HG2 H 1 1.482 0.030 . 1 . . . A 16 ARG HG2 . 18518 1 201 . 1 1 16 16 ARG HG3 H 1 1.482 0.030 . 1 . . . A 16 ARG HG3 . 18518 1 202 . 1 1 16 16 ARG HD2 H 1 2.864 0.030 . 1 . . . A 16 ARG HD2 . 18518 1 203 . 1 1 16 16 ARG HD3 H 1 2.864 0.030 . 1 . . . A 16 ARG HD3 . 18518 1 204 . 1 1 16 16 ARG C C 13 177.416 0.030 . 1 . . . A 16 ARG C . 18518 1 205 . 1 1 16 16 ARG CA C 13 61.375 0.030 . 1 . . . A 16 ARG CA . 18518 1 206 . 1 1 16 16 ARG CB C 13 30.605 0.030 . 1 . . . A 16 ARG CB . 18518 1 207 . 1 1 16 16 ARG CG C 13 27.034 0.030 . 1 . . . A 16 ARG CG . 18518 1 208 . 1 1 16 16 ARG CD C 13 41.789 0.030 . 1 . . . A 16 ARG CD . 18518 1 209 . 1 1 16 16 ARG N N 15 121.336 0.030 . 1 . . . A 16 ARG N . 18518 1 210 . 1 1 17 17 VAL H H 1 8.373 0.030 . 1 . . . A 17 VAL H . 18518 1 211 . 1 1 17 17 VAL HA H 1 3.857 0.030 . 1 . . . A 17 VAL HA . 18518 1 212 . 1 1 17 17 VAL HB H 1 1.765 0.030 . 1 . . . A 17 VAL HB . 18518 1 213 . 1 1 17 17 VAL HG11 H 1 0.511 0.030 . 1 . . . A 17 VAL HG11 . 18518 1 214 . 1 1 17 17 VAL HG12 H 1 0.511 0.030 . 1 . . . A 17 VAL HG12 . 18518 1 215 . 1 1 17 17 VAL HG13 H 1 0.511 0.030 . 1 . . . A 17 VAL HG13 . 18518 1 216 . 1 1 17 17 VAL HG21 H 1 0.820 0.030 . 1 . . . A 17 VAL HG21 . 18518 1 217 . 1 1 17 17 VAL HG22 H 1 0.820 0.030 . 1 . . . A 17 VAL HG22 . 18518 1 218 . 1 1 17 17 VAL HG23 H 1 0.820 0.030 . 1 . . . A 17 VAL HG23 . 18518 1 219 . 1 1 17 17 VAL C C 13 179.748 0.030 . 1 . . . A 17 VAL C . 18518 1 220 . 1 1 17 17 VAL CA C 13 65.726 0.030 . 1 . . . A 17 VAL CA . 18518 1 221 . 1 1 17 17 VAL CB C 13 32.194 0.030 . 1 . . . A 17 VAL CB . 18518 1 222 . 1 1 17 17 VAL CG1 C 13 23.021 0.030 . 2 . . . A 17 VAL CG1 . 18518 1 223 . 1 1 17 17 VAL CG2 C 13 21.119 0.030 . 2 . . . A 17 VAL CG2 . 18518 1 224 . 1 1 17 17 VAL N N 15 117.630 0.030 . 1 . . . A 17 VAL N . 18518 1 225 . 1 1 18 18 GLU H H 1 7.368 0.030 . 1 . . . A 18 GLU H . 18518 1 226 . 1 1 18 18 GLU HA H 1 4.302 0.030 . 1 . . . A 18 GLU HA . 18518 1 227 . 1 1 18 18 GLU HB2 H 1 2.080 0.030 . 1 . . . A 18 GLU HB2 . 18518 1 228 . 1 1 18 18 GLU HB3 H 1 2.080 0.030 . 1 . . . A 18 GLU HB3 . 18518 1 229 . 1 1 18 18 GLU HG2 H 1 2.358 0.030 . 1 . . . A 18 GLU HG2 . 18518 1 230 . 1 1 18 18 GLU HG3 H 1 2.358 0.030 . 1 . . . A 18 GLU HG3 . 18518 1 231 . 1 1 18 18 GLU C C 13 177.728 0.030 . 1 . . . A 18 GLU C . 18518 1 232 . 1 1 18 18 GLU CA C 13 58.486 0.030 . 1 . . . A 18 GLU CA . 18518 1 233 . 1 1 18 18 GLU CB C 13 29.382 0.030 . 1 . . . A 18 GLU CB . 18518 1 234 . 1 1 18 18 GLU CG C 13 35.196 0.030 . 1 . . . A 18 GLU CG . 18518 1 235 . 1 1 18 18 GLU N N 15 120.864 0.030 . 1 . . . A 18 GLU N . 18518 1 236 . 1 1 19 19 ASP H H 1 8.671 0.030 . 1 . . . A 19 ASP H . 18518 1 237 . 1 1 19 19 ASP HA H 1 4.434 0.030 . 1 . . . A 19 ASP HA . 18518 1 238 . 1 1 19 19 ASP HB2 H 1 3.491 0.030 . 1 . . . A 19 ASP HB2 . 18518 1 239 . 1 1 19 19 ASP HB3 H 1 2.865 0.030 . 1 . . . A 19 ASP HB3 . 18518 1 240 . 1 1 19 19 ASP C C 13 179.978 0.030 . 1 . . . A 19 ASP C . 18518 1 241 . 1 1 19 19 ASP CA C 13 57.422 0.030 . 1 . . . A 19 ASP CA . 18518 1 242 . 1 1 19 19 ASP CB C 13 41.287 0.030 . 1 . . . A 19 ASP CB . 18518 1 243 . 1 1 19 19 ASP N N 15 121.425 0.030 . 1 . . . A 19 ASP N . 18518 1 244 . 1 1 20 20 VAL H H 1 7.999 0.030 . 1 . . . A 20 VAL H . 18518 1 245 . 1 1 20 20 VAL HA H 1 3.205 0.030 . 1 . . . A 20 VAL HA . 18518 1 246 . 1 1 20 20 VAL HB H 1 2.475 0.030 . 1 . . . A 20 VAL HB . 18518 1 247 . 1 1 20 20 VAL HG11 H 1 0.004 0.030 . 1 . . . A 20 VAL HG11 . 18518 1 248 . 1 1 20 20 VAL HG12 H 1 0.004 0.030 . 1 . . . A 20 VAL HG12 . 18518 1 249 . 1 1 20 20 VAL HG13 H 1 0.004 0.030 . 1 . . . A 20 VAL HG13 . 18518 1 250 . 1 1 20 20 VAL HG21 H 1 0.725 0.030 . 1 . . . A 20 VAL HG21 . 18518 1 251 . 1 1 20 20 VAL HG22 H 1 0.725 0.030 . 1 . . . A 20 VAL HG22 . 18518 1 252 . 1 1 20 20 VAL HG23 H 1 0.725 0.030 . 1 . . . A 20 VAL HG23 . 18518 1 253 . 1 1 20 20 VAL C C 13 176.284 0.030 . 1 . . . A 20 VAL C . 18518 1 254 . 1 1 20 20 VAL CA C 13 66.315 0.030 . 1 . . . A 20 VAL CA . 18518 1 255 . 1 1 20 20 VAL CB C 13 31.107 0.030 . 1 . . . A 20 VAL CB . 18518 1 256 . 1 1 20 20 VAL CG1 C 13 22.352 0.030 . 2 . . . A 20 VAL CG1 . 18518 1 257 . 1 1 20 20 VAL CG2 C 13 21.658 0.030 . 2 . . . A 20 VAL CG2 . 18518 1 258 . 1 1 20 20 VAL N N 15 119.730 0.030 . 1 . . . A 20 VAL N . 18518 1 259 . 1 1 21 21 ARG H H 1 8.098 0.030 . 1 . . . A 21 ARG H . 18518 1 260 . 1 1 21 21 ARG HA H 1 3.814 0.030 . 1 . . . A 21 ARG HA . 18518 1 261 . 1 1 21 21 ARG HB2 H 1 2.044 0.030 . 1 . . . A 21 ARG HB2 . 18518 1 262 . 1 1 21 21 ARG HB3 H 1 1.843 0.030 . 1 . . . A 21 ARG HB3 . 18518 1 263 . 1 1 21 21 ARG HG2 H 1 1.672 0.030 . 1 . . . A 21 ARG HG2 . 18518 1 264 . 1 1 21 21 ARG HG3 H 1 1.492 0.030 . 1 . . . A 21 ARG HG3 . 18518 1 265 . 1 1 21 21 ARG HD2 H 1 3.286 0.030 . 1 . . . A 21 ARG HD2 . 18518 1 266 . 1 1 21 21 ARG HD3 H 1 3.048 0.030 . 1 . . . A 21 ARG HD3 . 18518 1 267 . 1 1 21 21 ARG HE H 1 8.155 0.030 . 1 . . . A 21 ARG HE . 18518 1 268 . 1 1 21 21 ARG HH11 H 1 7.053 0.030 . 1 . . . A 21 ARG HH11 . 18518 1 269 . 1 1 21 21 ARG HH12 H 1 6.835 0.030 . 1 . . . A 21 ARG HH12 . 18518 1 270 . 1 1 21 21 ARG HH21 H 1 7.118 0.030 . 1 . . . A 21 ARG HH21 . 18518 1 271 . 1 1 21 21 ARG HH22 H 1 6.990 0.030 . 1 . . . A 21 ARG HH22 . 18518 1 272 . 1 1 21 21 ARG C C 13 180.120 0.030 . 1 . . . A 21 ARG C . 18518 1 273 . 1 1 21 21 ARG CA C 13 59.830 0.030 . 1 . . . A 21 ARG CA . 18518 1 274 . 1 1 21 21 ARG CB C 13 29.946 0.030 . 1 . . . A 21 ARG CB . 18518 1 275 . 1 1 21 21 ARG CG C 13 27.251 0.030 . 1 . . . A 21 ARG CG . 18518 1 276 . 1 1 21 21 ARG CD C 13 43.030 0.030 . 1 . . . A 21 ARG CD . 18518 1 277 . 1 1 21 21 ARG N N 15 121.455 0.030 . 1 . . . A 21 ARG N . 18518 1 278 . 1 1 21 21 ARG NE N 15 82.820 0.030 . 1 . . . A 21 ARG NE . 18518 1 279 . 1 1 21 21 ARG NH1 N 15 71.770 0.030 . 1 . . . A 21 ARG NH1 . 18518 1 280 . 1 1 21 21 ARG NH2 N 15 71.770 0.030 . 1 . . . A 21 ARG NH2 . 18518 1 281 . 1 1 22 22 LEU H H 1 8.207 0.030 . 1 . . . A 22 LEU H . 18518 1 282 . 1 1 22 22 LEU HA H 1 4.049 0.030 . 1 . . . A 22 LEU HA . 18518 1 283 . 1 1 22 22 LEU HB2 H 1 1.883 0.030 . 2 . . . A 22 LEU HB2 . 18518 1 284 . 1 1 22 22 LEU HB3 H 1 1.580 0.030 . 2 . . . A 22 LEU HB3 . 18518 1 285 . 1 1 22 22 LEU HG H 1 1.716 0.030 . 1 . . . A 22 LEU HG . 18518 1 286 . 1 1 22 22 LEU HD11 H 1 0.871 0.030 . 1 . . . A 22 LEU HD11 . 18518 1 287 . 1 1 22 22 LEU HD12 H 1 0.871 0.030 . 1 . . . A 22 LEU HD12 . 18518 1 288 . 1 1 22 22 LEU HD13 H 1 0.871 0.030 . 1 . . . A 22 LEU HD13 . 18518 1 289 . 1 1 22 22 LEU HD21 H 1 0.886 0.030 . 1 . . . A 22 LEU HD21 . 18518 1 290 . 1 1 22 22 LEU HD22 H 1 0.886 0.030 . 1 . . . A 22 LEU HD22 . 18518 1 291 . 1 1 22 22 LEU HD23 H 1 0.886 0.030 . 1 . . . A 22 LEU HD23 . 18518 1 292 . 1 1 22 22 LEU C C 13 180.115 0.030 . 1 . . . A 22 LEU C . 18518 1 293 . 1 1 22 22 LEU CA C 13 57.790 0.030 . 1 . . . A 22 LEU CA . 18518 1 294 . 1 1 22 22 LEU CB C 13 42.142 0.030 . 1 . . . A 22 LEU CB . 18518 1 295 . 1 1 22 22 LEU CG C 13 27.287 0.030 . 1 . . . A 22 LEU CG . 18518 1 296 . 1 1 22 22 LEU CD1 C 13 25.108 0.030 . 2 . . . A 22 LEU CD1 . 18518 1 297 . 1 1 22 22 LEU CD2 C 13 23.680 0.030 . 2 . . . A 22 LEU CD2 . 18518 1 298 . 1 1 22 22 LEU N N 15 117.826 0.030 . 1 . . . A 22 LEU N . 18518 1 299 . 1 1 23 23 ILE H H 1 8.105 0.030 . 1 . . . A 23 ILE H . 18518 1 300 . 1 1 23 23 ILE HA H 1 4.013 0.030 . 1 . . . A 23 ILE HA . 18518 1 301 . 1 1 23 23 ILE HB H 1 1.715 0.030 . 1 . . . A 23 ILE HB . 18518 1 302 . 1 1 23 23 ILE HG12 H 1 1.198 0.030 . 2 . . . A 23 ILE HG12 . 18518 1 303 . 1 1 23 23 ILE HG13 H 1 0.325 0.030 . 2 . . . A 23 ILE HG13 . 18518 1 304 . 1 1 23 23 ILE HG21 H 1 0.733 0.030 . 1 . . . A 23 ILE HG21 . 18518 1 305 . 1 1 23 23 ILE HG22 H 1 0.733 0.030 . 1 . . . A 23 ILE HG22 . 18518 1 306 . 1 1 23 23 ILE HG23 H 1 0.733 0.030 . 1 . . . A 23 ILE HG23 . 18518 1 307 . 1 1 23 23 ILE HD11 H 1 0.610 0.030 . 1 . . . A 23 ILE HD11 . 18518 1 308 . 1 1 23 23 ILE HD12 H 1 0.610 0.030 . 1 . . . A 23 ILE HD12 . 18518 1 309 . 1 1 23 23 ILE HD13 H 1 0.610 0.030 . 1 . . . A 23 ILE HD13 . 18518 1 310 . 1 1 23 23 ILE C C 13 178.149 0.030 . 1 . . . A 23 ILE C . 18518 1 311 . 1 1 23 23 ILE CA C 13 62.171 0.030 . 1 . . . A 23 ILE CA . 18518 1 312 . 1 1 23 23 ILE CB C 13 38.106 0.030 . 1 . . . A 23 ILE CB . 18518 1 313 . 1 1 23 23 ILE CG1 C 13 30.002 0.030 . 1 . . . A 23 ILE CG1 . 18518 1 314 . 1 1 23 23 ILE CG2 C 13 19.059 0.030 . 1 . . . A 23 ILE CG2 . 18518 1 315 . 1 1 23 23 ILE CD1 C 13 13.811 0.030 . 1 . . . A 23 ILE CD1 . 18518 1 316 . 1 1 23 23 ILE N N 15 121.450 0.030 . 1 . . . A 23 ILE N . 18518 1 317 . 1 1 24 24 ARG H H 1 8.601 0.030 . 1 . . . A 24 ARG H . 18518 1 318 . 1 1 24 24 ARG HA H 1 3.987 0.030 . 1 . . . A 24 ARG HA . 18518 1 319 . 1 1 24 24 ARG HB2 H 1 1.946 0.030 . 1 . . . A 24 ARG HB2 . 18518 1 320 . 1 1 24 24 ARG HB3 H 1 1.792 0.030 . 1 . . . A 24 ARG HB3 . 18518 1 321 . 1 1 24 24 ARG HG2 H 1 1.783 0.030 . 1 . . . A 24 ARG HG2 . 18518 1 322 . 1 1 24 24 ARG HG3 H 1 1.648 0.030 . 1 . . . A 24 ARG HG3 . 18518 1 323 . 1 1 24 24 ARG HD2 H 1 3.274 0.030 . 1 . . . A 24 ARG HD2 . 18518 1 324 . 1 1 24 24 ARG HD3 H 1 3.054 0.030 . 1 . . . A 24 ARG HD3 . 18518 1 325 . 1 1 24 24 ARG HE H 1 7.315 0.030 . 1 . . . A 24 ARG HE . 18518 1 326 . 1 1 24 24 ARG HH12 H 1 6.530 0.030 . 1 . . . A 24 ARG HH12 . 18518 1 327 . 1 1 24 24 ARG HH22 H 1 7.116 0.030 . 1 . . . A 24 ARG HH22 . 18518 1 328 . 1 1 24 24 ARG C C 13 178.702 0.030 . 1 . . . A 24 ARG C . 18518 1 329 . 1 1 24 24 ARG CA C 13 57.718 0.030 . 1 . . . A 24 ARG CA . 18518 1 330 . 1 1 24 24 ARG CB C 13 28.769 0.030 . 1 . . . A 24 ARG CB . 18518 1 331 . 1 1 24 24 ARG CG C 13 27.352 0.030 . 1 . . . A 24 ARG CG . 18518 1 332 . 1 1 24 24 ARG CD C 13 42.597 0.030 . 1 . . . A 24 ARG CD . 18518 1 333 . 1 1 24 24 ARG N N 15 121.139 0.030 . 1 . . . A 24 ARG N . 18518 1 334 . 1 1 24 24 ARG NE N 15 83.405 0.030 . 1 . . . A 24 ARG NE . 18518 1 335 . 1 1 24 24 ARG NH1 N 15 71.595 0.030 . 1 . . . A 24 ARG NH1 . 18518 1 336 . 1 1 24 24 ARG NH2 N 15 71.595 0.030 . 1 . . . A 24 ARG NH2 . 18518 1 337 . 1 1 25 25 GLU H H 1 7.423 0.030 . 1 . . . A 25 GLU H . 18518 1 338 . 1 1 25 25 GLU HA H 1 4.026 0.030 . 1 . . . A 25 GLU HA . 18518 1 339 . 1 1 25 25 GLU HB2 H 1 2.155 0.030 . 1 . . . A 25 GLU HB2 . 18518 1 340 . 1 1 25 25 GLU HB3 H 1 2.116 0.030 . 1 . . . A 25 GLU HB3 . 18518 1 341 . 1 1 25 25 GLU HG2 H 1 2.370 0.030 . 1 . . . A 25 GLU HG2 . 18518 1 342 . 1 1 25 25 GLU HG3 H 1 2.267 0.030 . 1 . . . A 25 GLU HG3 . 18518 1 343 . 1 1 25 25 GLU C C 13 178.492 0.030 . 1 . . . A 25 GLU C . 18518 1 344 . 1 1 25 25 GLU CA C 13 58.780 0.030 . 1 . . . A 25 GLU CA . 18518 1 345 . 1 1 25 25 GLU CB C 13 30.001 0.030 . 1 . . . A 25 GLU CB . 18518 1 346 . 1 1 25 25 GLU CG C 13 36.595 0.030 . 1 . . . A 25 GLU CG . 18518 1 347 . 1 1 25 25 GLU N N 15 118.054 0.030 . 1 . . . A 25 GLU N . 18518 1 348 . 1 1 26 26 GLN H H 1 7.524 0.030 . 1 . . . A 26 GLN H . 18518 1 349 . 1 1 26 26 GLN HA H 1 3.936 0.030 . 1 . . . A 26 GLN HA . 18518 1 350 . 1 1 26 26 GLN HB2 H 1 1.925 0.030 . 2 . . . A 26 GLN HB2 . 18518 1 351 . 1 1 26 26 GLN HB3 H 1 1.649 0.030 . 2 . . . A 26 GLN HB3 . 18518 1 352 . 1 1 26 26 GLN HG2 H 1 2.359 0.030 . 2 . . . A 26 GLN HG2 . 18518 1 353 . 1 1 26 26 GLN HG3 H 1 2.062 0.030 . 2 . . . A 26 GLN HG3 . 18518 1 354 . 1 1 26 26 GLN HE21 H 1 7.448 0.030 . 2 . . . A 26 GLN HE21 . 18518 1 355 . 1 1 26 26 GLN HE22 H 1 6.830 0.030 . 2 . . . A 26 GLN HE22 . 18518 1 356 . 1 1 26 26 GLN C C 13 176.305 0.030 . 1 . . . A 26 GLN C . 18518 1 357 . 1 1 26 26 GLN CA C 13 57.503 0.030 . 1 . . . A 26 GLN CA . 18518 1 358 . 1 1 26 26 GLN CB C 13 30.207 0.030 . 1 . . . A 26 GLN CB . 18518 1 359 . 1 1 26 26 GLN CG C 13 33.966 0.030 . 1 . . . A 26 GLN CG . 18518 1 360 . 1 1 26 26 GLN CD C 13 179.885 0.030 . 1 . . . A 26 GLN CD . 18518 1 361 . 1 1 26 26 GLN N N 15 116.350 0.030 . 1 . . . A 26 GLN N . 18518 1 362 . 1 1 26 26 GLN NE2 N 15 111.288 0.030 . 1 . . . A 26 GLN NE2 . 18518 1 363 . 1 1 27 27 HIS H H 1 8.284 0.030 . 1 . . . A 27 HIS H . 18518 1 364 . 1 1 27 27 HIS HA H 1 4.930 0.030 . 1 . . . A 27 HIS HA . 18518 1 365 . 1 1 27 27 HIS HB2 H 1 2.975 0.030 . 2 . . . A 27 HIS HB2 . 18518 1 366 . 1 1 27 27 HIS HB3 H 1 2.527 0.030 . 2 . . . A 27 HIS HB3 . 18518 1 367 . 1 1 27 27 HIS HD2 H 1 6.743 0.030 . 1 . . . A 27 HIS HD2 . 18518 1 368 . 1 1 27 27 HIS HE1 H 1 7.816 0.030 . 1 . . . A 27 HIS HE1 . 18518 1 369 . 1 1 27 27 HIS CA C 13 53.054 0.030 . 1 . . . A 27 HIS CA . 18518 1 370 . 1 1 27 27 HIS CB C 13 30.747 0.030 . 1 . . . A 27 HIS CB . 18518 1 371 . 1 1 27 27 HIS CD2 C 13 119.599 0.030 . 1 . . . A 27 HIS CD2 . 18518 1 372 . 1 1 27 27 HIS CE1 C 13 138.326 0.030 . 1 . . . A 27 HIS CE1 . 18518 1 373 . 1 1 27 27 HIS N N 15 116.017 0.030 . 1 . . . A 27 HIS N . 18518 1 374 . 1 1 28 28 PRO HA H 1 4.581 0.030 . 1 . . . A 28 PRO HA . 18518 1 375 . 1 1 28 28 PRO HB2 H 1 2.446 0.030 . 2 . . . A 28 PRO HB2 . 18518 1 376 . 1 1 28 28 PRO HB3 H 1 1.994 0.030 . 2 . . . A 28 PRO HB3 . 18518 1 377 . 1 1 28 28 PRO HG2 H 1 2.037 0.030 . 2 . . . A 28 PRO HG2 . 18518 1 378 . 1 1 28 28 PRO HG3 H 1 1.926 0.030 . 2 . . . A 28 PRO HG3 . 18518 1 379 . 1 1 28 28 PRO HD2 H 1 3.605 0.030 . 2 . . . A 28 PRO HD2 . 18518 1 380 . 1 1 28 28 PRO HD3 H 1 3.249 0.030 . 2 . . . A 28 PRO HD3 . 18518 1 381 . 1 1 28 28 PRO CA C 13 64.919 0.030 . 1 . . . A 28 PRO CA . 18518 1 382 . 1 1 28 28 PRO CB C 13 32.455 0.030 . 1 . . . A 28 PRO CB . 18518 1 383 . 1 1 28 28 PRO CG C 13 27.383 0.030 . 1 . . . A 28 PRO CG . 18518 1 384 . 1 1 28 28 PRO CD C 13 50.158 0.030 . 1 . . . A 28 PRO CD . 18518 1 385 . 1 1 29 29 THR H H 1 7.890 0.030 . 1 . . . A 29 THR H . 18518 1 386 . 1 1 29 29 THR HA H 1 4.599 0.030 . 1 . . . A 29 THR HA . 18518 1 387 . 1 1 29 29 THR HB H 1 4.710 0.030 . 1 . . . A 29 THR HB . 18518 1 388 . 1 1 29 29 THR HG21 H 1 1.167 0.030 . 1 . . . A 29 THR HG21 . 18518 1 389 . 1 1 29 29 THR HG22 H 1 1.167 0.030 . 1 . . . A 29 THR HG22 . 18518 1 390 . 1 1 29 29 THR HG23 H 1 1.167 0.030 . 1 . . . A 29 THR HG23 . 18518 1 391 . 1 1 29 29 THR C C 13 172.884 0.030 . 1 . . . A 29 THR C . 18518 1 392 . 1 1 29 29 THR CA C 13 60.810 0.030 . 1 . . . A 29 THR CA . 18518 1 393 . 1 1 29 29 THR CB C 13 68.531 0.030 . 1 . . . A 29 THR CB . 18518 1 394 . 1 1 29 29 THR CG2 C 13 21.370 0.030 . 1 . . . A 29 THR CG2 . 18518 1 395 . 1 1 29 29 THR N N 15 107.011 0.030 . 1 . . . A 29 THR N . 18518 1 396 . 1 1 30 30 LYS H H 1 7.441 0.030 . 1 . . . A 30 LYS H . 18518 1 397 . 1 1 30 30 LYS HA H 1 4.858 0.030 . 1 . . . A 30 LYS HA . 18518 1 398 . 1 1 30 30 LYS HB2 H 1 1.496 0.030 . 1 . . . A 30 LYS HB2 . 18518 1 399 . 1 1 30 30 LYS HB3 H 1 1.130 0.030 . 1 . . . A 30 LYS HB3 . 18518 1 400 . 1 1 30 30 LYS HG2 H 1 1.390 0.030 . 1 . . . A 30 LYS HG2 . 18518 1 401 . 1 1 30 30 LYS HG3 H 1 1.124 0.030 . 1 . . . A 30 LYS HG3 . 18518 1 402 . 1 1 30 30 LYS HD2 H 1 1.368 0.030 . 1 . . . A 30 LYS HD2 . 18518 1 403 . 1 1 30 30 LYS HD3 H 1 1.126 0.030 . 1 . . . A 30 LYS HD3 . 18518 1 404 . 1 1 30 30 LYS HE2 H 1 2.972 0.030 . 1 . . . A 30 LYS HE2 . 18518 1 405 . 1 1 30 30 LYS HE3 H 1 2.883 0.030 . 1 . . . A 30 LYS HE3 . 18518 1 406 . 1 1 30 30 LYS C C 13 174.310 0.030 . 1 . . . A 30 LYS C . 18518 1 407 . 1 1 30 30 LYS CA C 13 53.751 0.030 . 1 . . . A 30 LYS CA . 18518 1 408 . 1 1 30 30 LYS CB C 13 35.804 0.030 . 1 . . . A 30 LYS CB . 18518 1 409 . 1 1 30 30 LYS CG C 13 25.832 0.030 . 1 . . . A 30 LYS CG . 18518 1 410 . 1 1 30 30 LYS CD C 13 29.241 0.030 . 1 . . . A 30 LYS CD . 18518 1 411 . 1 1 30 30 LYS CE C 13 42.571 0.030 . 1 . . . A 30 LYS CE . 18518 1 412 . 1 1 30 30 LYS N N 15 117.679 0.030 . 1 . . . A 30 LYS N . 18518 1 413 . 1 1 31 31 ILE H H 1 9.304 0.030 . 1 . . . A 31 ILE H . 18518 1 414 . 1 1 31 31 ILE HA H 1 4.105 0.030 . 1 . . . A 31 ILE HA . 18518 1 415 . 1 1 31 31 ILE HB H 1 1.756 0.030 . 1 . . . A 31 ILE HB . 18518 1 416 . 1 1 31 31 ILE HG12 H 1 1.263 0.030 . 2 . . . A 31 ILE HG12 . 18518 1 417 . 1 1 31 31 ILE HG13 H 1 0.941 0.030 . 2 . . . A 31 ILE HG13 . 18518 1 418 . 1 1 31 31 ILE HG21 H 1 0.388 0.030 . 1 . . . A 31 ILE HG21 . 18518 1 419 . 1 1 31 31 ILE HG22 H 1 0.388 0.030 . 1 . . . A 31 ILE HG22 . 18518 1 420 . 1 1 31 31 ILE HG23 H 1 0.388 0.030 . 1 . . . A 31 ILE HG23 . 18518 1 421 . 1 1 31 31 ILE HD11 H 1 0.315 0.030 . 1 . . . A 31 ILE HD11 . 18518 1 422 . 1 1 31 31 ILE HD12 H 1 0.315 0.030 . 1 . . . A 31 ILE HD12 . 18518 1 423 . 1 1 31 31 ILE HD13 H 1 0.315 0.030 . 1 . . . A 31 ILE HD13 . 18518 1 424 . 1 1 31 31 ILE CA C 13 54.801 0.030 . 1 . . . A 31 ILE CA . 18518 1 425 . 1 1 31 31 ILE CB C 13 38.265 0.030 . 1 . . . A 31 ILE CB . 18518 1 426 . 1 1 31 31 ILE CG1 C 13 27.820 0.030 . 1 . . . A 31 ILE CG1 . 18518 1 427 . 1 1 31 31 ILE CG2 C 13 17.110 0.030 . 1 . . . A 31 ILE CG2 . 18518 1 428 . 1 1 31 31 ILE CD1 C 13 10.188 0.030 . 1 . . . A 31 ILE CD1 . 18518 1 429 . 1 1 31 31 ILE N N 15 122.849 0.030 . 1 . . . A 31 ILE N . 18518 1 430 . 1 1 32 32 PRO HA H 1 5.159 0.030 . 1 . . . A 32 PRO HA . 18518 1 431 . 1 1 32 32 PRO HB2 H 1 2.229 0.030 . 2 . . . A 32 PRO HB2 . 18518 1 432 . 1 1 32 32 PRO HB3 H 1 1.612 0.030 . 2 . . . A 32 PRO HB3 . 18518 1 433 . 1 1 32 32 PRO HG2 H 1 2.588 0.030 . 2 . . . A 32 PRO HG2 . 18518 1 434 . 1 1 32 32 PRO HG3 H 1 1.618 0.030 . 2 . . . A 32 PRO HG3 . 18518 1 435 . 1 1 32 32 PRO HD2 H 1 3.507 0.030 . 2 . . . A 32 PRO HD2 . 18518 1 436 . 1 1 32 32 PRO HD3 H 1 3.350 0.030 . 2 . . . A 32 PRO HD3 . 18518 1 437 . 1 1 32 32 PRO C C 13 174.164 0.030 . 1 . . . A 32 PRO C . 18518 1 438 . 1 1 32 32 PRO CA C 13 61.503 0.030 . 1 . . . A 32 PRO CA . 18518 1 439 . 1 1 32 32 PRO CB C 13 31.145 0.030 . 1 . . . A 32 PRO CB . 18518 1 440 . 1 1 32 32 PRO CG C 13 27.057 0.030 . 1 . . . A 32 PRO CG . 18518 1 441 . 1 1 32 32 PRO CD C 13 50.073 0.030 . 1 . . . A 32 PRO CD . 18518 1 442 . 1 1 33 33 VAL H H 1 9.424 0.030 . 1 . . . A 33 VAL H . 18518 1 443 . 1 1 33 33 VAL HA H 1 5.213 0.030 . 1 . . . A 33 VAL HA . 18518 1 444 . 1 1 33 33 VAL HB H 1 1.916 0.030 . 1 . . . A 33 VAL HB . 18518 1 445 . 1 1 33 33 VAL HG11 H 1 0.894 0.030 . 1 . . . A 33 VAL HG11 . 18518 1 446 . 1 1 33 33 VAL HG12 H 1 0.894 0.030 . 1 . . . A 33 VAL HG12 . 18518 1 447 . 1 1 33 33 VAL HG13 H 1 0.894 0.030 . 1 . . . A 33 VAL HG13 . 18518 1 448 . 1 1 33 33 VAL HG21 H 1 0.909 0.030 . 1 . . . A 33 VAL HG21 . 18518 1 449 . 1 1 33 33 VAL HG22 H 1 0.909 0.030 . 1 . . . A 33 VAL HG22 . 18518 1 450 . 1 1 33 33 VAL HG23 H 1 0.909 0.030 . 1 . . . A 33 VAL HG23 . 18518 1 451 . 1 1 33 33 VAL C C 13 173.654 0.030 . 1 . . . A 33 VAL C . 18518 1 452 . 1 1 33 33 VAL CA C 13 60.044 0.030 . 1 . . . A 33 VAL CA . 18518 1 453 . 1 1 33 33 VAL CB C 13 35.604 0.030 . 1 . . . A 33 VAL CB . 18518 1 454 . 1 1 33 33 VAL CG1 C 13 23.239 0.030 . 2 . . . A 33 VAL CG1 . 18518 1 455 . 1 1 33 33 VAL CG2 C 13 22.481 0.030 . 2 . . . A 33 VAL CG2 . 18518 1 456 . 1 1 33 33 VAL N N 15 125.606 0.030 . 1 . . . A 33 VAL N . 18518 1 457 . 1 1 34 34 ILE H H 1 8.721 0.030 . 1 . . . A 34 ILE H . 18518 1 458 . 1 1 34 34 ILE HA H 1 4.833 0.030 . 1 . . . A 34 ILE HA . 18518 1 459 . 1 1 34 34 ILE HB H 1 1.534 0.030 . 1 . . . A 34 ILE HB . 18518 1 460 . 1 1 34 34 ILE HG12 H 1 0.454 0.030 . 2 . . . A 34 ILE HG12 . 18518 1 461 . 1 1 34 34 ILE HG13 H 1 -0.019 0.030 . 2 . . . A 34 ILE HG13 . 18518 1 462 . 1 1 34 34 ILE HG21 H 1 0.595 0.030 . 1 . . . A 34 ILE HG21 . 18518 1 463 . 1 1 34 34 ILE HG22 H 1 0.595 0.030 . 1 . . . A 34 ILE HG22 . 18518 1 464 . 1 1 34 34 ILE HG23 H 1 0.595 0.030 . 1 . . . A 34 ILE HG23 . 18518 1 465 . 1 1 34 34 ILE HD11 H 1 -0.879 0.030 . 1 . . . A 34 ILE HD11 . 18518 1 466 . 1 1 34 34 ILE HD12 H 1 -0.879 0.030 . 1 . . . A 34 ILE HD12 . 18518 1 467 . 1 1 34 34 ILE HD13 H 1 -0.879 0.030 . 1 . . . A 34 ILE HD13 . 18518 1 468 . 1 1 34 34 ILE C C 13 175.605 0.030 . 1 . . . A 34 ILE C . 18518 1 469 . 1 1 34 34 ILE CA C 13 56.765 0.030 . 1 . . . A 34 ILE CA . 18518 1 470 . 1 1 34 34 ILE CB C 13 36.799 0.030 . 1 . . . A 34 ILE CB . 18518 1 471 . 1 1 34 34 ILE CG1 C 13 25.414 0.030 . 1 . . . A 34 ILE CG1 . 18518 1 472 . 1 1 34 34 ILE CG2 C 13 16.804 0.030 . 1 . . . A 34 ILE CG2 . 18518 1 473 . 1 1 34 34 ILE CD1 C 13 9.075 0.030 . 1 . . . A 34 ILE CD1 . 18518 1 474 . 1 1 34 34 ILE N N 15 128.241 0.030 . 1 . . . A 34 ILE N . 18518 1 475 . 1 1 35 35 ILE H H 1 9.034 0.030 . 1 . . . A 35 ILE H . 18518 1 476 . 1 1 35 35 ILE HA H 1 4.836 0.030 . 1 . . . A 35 ILE HA . 18518 1 477 . 1 1 35 35 ILE HB H 1 1.751 0.030 . 1 . . . A 35 ILE HB . 18518 1 478 . 1 1 35 35 ILE HG12 H 1 1.583 0.030 . 2 . . . A 35 ILE HG12 . 18518 1 479 . 1 1 35 35 ILE HG13 H 1 0.797 0.030 . 2 . . . A 35 ILE HG13 . 18518 1 480 . 1 1 35 35 ILE HG21 H 1 0.785 0.030 . 1 . . . A 35 ILE HG21 . 18518 1 481 . 1 1 35 35 ILE HG22 H 1 0.785 0.030 . 1 . . . A 35 ILE HG22 . 18518 1 482 . 1 1 35 35 ILE HG23 H 1 0.785 0.030 . 1 . . . A 35 ILE HG23 . 18518 1 483 . 1 1 35 35 ILE HD11 H 1 0.220 0.030 . 1 . . . A 35 ILE HD11 . 18518 1 484 . 1 1 35 35 ILE HD12 H 1 0.220 0.030 . 1 . . . A 35 ILE HD12 . 18518 1 485 . 1 1 35 35 ILE HD13 H 1 0.220 0.030 . 1 . . . A 35 ILE HD13 . 18518 1 486 . 1 1 35 35 ILE C C 13 174.887 0.030 . 1 . . . A 35 ILE C . 18518 1 487 . 1 1 35 35 ILE CA C 13 60.945 0.030 . 1 . . . A 35 ILE CA . 18518 1 488 . 1 1 35 35 ILE CB C 13 39.210 0.030 . 1 . . . A 35 ILE CB . 18518 1 489 . 1 1 35 35 ILE CG1 C 13 27.831 0.030 . 1 . . . A 35 ILE CG1 . 18518 1 490 . 1 1 35 35 ILE CG2 C 13 18.156 0.030 . 1 . . . A 35 ILE CG2 . 18518 1 491 . 1 1 35 35 ILE CD1 C 13 12.442 0.030 . 1 . . . A 35 ILE CD1 . 18518 1 492 . 1 1 35 35 ILE N N 15 125.650 0.030 . 1 . . . A 35 ILE N . 18518 1 493 . 1 1 36 36 GLU H H 1 8.303 0.030 . 1 . . . A 36 GLU H . 18518 1 494 . 1 1 36 36 GLU HA H 1 4.861 0.030 . 1 . . . A 36 GLU HA . 18518 1 495 . 1 1 36 36 GLU HB2 H 1 2.190 0.030 . 1 . . . A 36 GLU HB2 . 18518 1 496 . 1 1 36 36 GLU HB3 H 1 1.946 0.030 . 1 . . . A 36 GLU HB3 . 18518 1 497 . 1 1 36 36 GLU HG2 H 1 2.355 0.030 . 1 . . . A 36 GLU HG2 . 18518 1 498 . 1 1 36 36 GLU HG3 H 1 2.307 0.030 . 1 . . . A 36 GLU HG3 . 18518 1 499 . 1 1 36 36 GLU C C 13 173.848 0.030 . 1 . . . A 36 GLU C . 18518 1 500 . 1 1 36 36 GLU CA C 13 53.932 0.030 . 1 . . . A 36 GLU CA . 18518 1 501 . 1 1 36 36 GLU CB C 13 35.282 0.030 . 1 . . . A 36 GLU CB . 18518 1 502 . 1 1 36 36 GLU CG C 13 38.958 0.030 . 1 . . . A 36 GLU CG . 18518 1 503 . 1 1 36 36 GLU N N 15 122.657 0.030 . 1 . . . A 36 GLU N . 18518 1 504 . 1 1 37 37 ARG H H 1 8.856 0.030 . 1 . . . A 37 ARG H . 18518 1 505 . 1 1 37 37 ARG HA H 1 2.726 0.030 . 1 . . . A 37 ARG HA . 18518 1 506 . 1 1 37 37 ARG HB2 H 1 1.764 0.030 . 1 . . . A 37 ARG HB2 . 18518 1 507 . 1 1 37 37 ARG HB3 H 1 1.528 0.030 . 1 . . . A 37 ARG HB3 . 18518 1 508 . 1 1 37 37 ARG HG2 H 1 1.862 0.030 . 1 . . . A 37 ARG HG2 . 18518 1 509 . 1 1 37 37 ARG HG3 H 1 1.061 0.030 . 1 . . . A 37 ARG HG3 . 18518 1 510 . 1 1 37 37 ARG HD2 H 1 3.072 0.030 . 1 . . . A 37 ARG HD2 . 18518 1 511 . 1 1 37 37 ARG HD3 H 1 2.913 0.030 . 1 . . . A 37 ARG HD3 . 18518 1 512 . 1 1 37 37 ARG HE H 1 7.037 0.030 . 1 . . . A 37 ARG HE . 18518 1 513 . 1 1 37 37 ARG HH12 H 1 6.498 0.030 . 1 . . . A 37 ARG HH12 . 18518 1 514 . 1 1 37 37 ARG HH22 H 1 6.555 0.030 . 1 . . . A 37 ARG HH22 . 18518 1 515 . 1 1 37 37 ARG C C 13 176.359 0.030 . 1 . . . A 37 ARG C . 18518 1 516 . 1 1 37 37 ARG CA C 13 56.359 0.030 . 1 . . . A 37 ARG CA . 18518 1 517 . 1 1 37 37 ARG CB C 13 31.341 0.030 . 1 . . . A 37 ARG CB . 18518 1 518 . 1 1 37 37 ARG CG C 13 26.739 0.030 . 1 . . . A 37 ARG CG . 18518 1 519 . 1 1 37 37 ARG CD C 13 44.321 0.030 . 1 . . . A 37 ARG CD . 18518 1 520 . 1 1 37 37 ARG N N 15 123.228 0.030 . 1 . . . A 37 ARG N . 18518 1 521 . 1 1 37 37 ARG NE N 15 83.315 0.030 . 1 . . . A 37 ARG NE . 18518 1 522 . 1 1 37 37 ARG NH1 N 15 69.721 0.030 . 1 . . . A 37 ARG NH1 . 18518 1 523 . 1 1 37 37 ARG NH2 N 15 70.893 0.030 . 1 . . . A 37 ARG NH2 . 18518 1 524 . 1 1 38 38 TYR H H 1 8.628 0.030 . 1 . . . A 38 TYR H . 18518 1 525 . 1 1 38 38 TYR HA H 1 4.352 0.030 . 1 . . . A 38 TYR HA . 18518 1 526 . 1 1 38 38 TYR HB2 H 1 2.943 0.030 . 2 . . . A 38 TYR HB2 . 18518 1 527 . 1 1 38 38 TYR HB3 H 1 2.758 0.030 . 2 . . . A 38 TYR HB3 . 18518 1 528 . 1 1 38 38 TYR HD1 H 1 6.963 0.030 . 3 . . . A 38 TYR HD1 . 18518 1 529 . 1 1 38 38 TYR HD2 H 1 6.963 0.030 . 3 . . . A 38 TYR HD2 . 18518 1 530 . 1 1 38 38 TYR HE1 H 1 6.566 0.030 . 3 . . . A 38 TYR HE1 . 18518 1 531 . 1 1 38 38 TYR HE2 H 1 6.566 0.030 . 3 . . . A 38 TYR HE2 . 18518 1 532 . 1 1 38 38 TYR C C 13 177.316 0.030 . 1 . . . A 38 TYR C . 18518 1 533 . 1 1 38 38 TYR CA C 13 57.712 0.030 . 1 . . . A 38 TYR CA . 18518 1 534 . 1 1 38 38 TYR CB C 13 39.472 0.030 . 1 . . . A 38 TYR CB . 18518 1 535 . 1 1 38 38 TYR CD2 C 13 132.998 0.030 . 3 . . . A 38 TYR CD2 . 18518 1 536 . 1 1 38 38 TYR CE2 C 13 118.101 0.030 . 3 . . . A 38 TYR CE2 . 18518 1 537 . 1 1 38 38 TYR N N 15 128.981 0.030 . 1 . . . A 38 TYR N . 18518 1 538 . 1 1 39 39 LYS H H 1 8.594 0.030 . 1 . . . A 39 LYS H . 18518 1 539 . 1 1 39 39 LYS HA H 1 3.822 0.030 . 1 . . . A 39 LYS HA . 18518 1 540 . 1 1 39 39 LYS HB2 H 1 1.668 0.030 . 1 . . . A 39 LYS HB2 . 18518 1 541 . 1 1 39 39 LYS HB3 H 1 1.550 0.030 . 1 . . . A 39 LYS HB3 . 18518 1 542 . 1 1 39 39 LYS HG2 H 1 1.141 0.030 . 1 . . . A 39 LYS HG2 . 18518 1 543 . 1 1 39 39 LYS HG3 H 1 1.107 0.030 . 1 . . . A 39 LYS HG3 . 18518 1 544 . 1 1 39 39 LYS HE2 H 1 2.901 0.030 . 1 . . . A 39 LYS HE2 . 18518 1 545 . 1 1 39 39 LYS HE3 H 1 2.901 0.030 . 1 . . . A 39 LYS HE3 . 18518 1 546 . 1 1 39 39 LYS CA C 13 58.887 0.030 . 1 . . . A 39 LYS CA . 18518 1 547 . 1 1 39 39 LYS CB C 13 31.771 0.030 . 1 . . . A 39 LYS CB . 18518 1 548 . 1 1 39 39 LYS CG C 13 23.939 0.030 . 1 . . . A 39 LYS CG . 18518 1 549 . 1 1 39 39 LYS N N 15 130.635 0.030 . 1 . . . A 39 LYS N . 18518 1 550 . 1 1 40 40 GLY H H 1 5.188 0.030 . 1 . . . A 40 GLY H . 18518 1 551 . 1 1 40 40 GLY HA2 H 1 4.014 0.030 . 1 . . . A 40 GLY HA2 . 18518 1 552 . 1 1 40 40 GLY HA3 H 1 3.202 0.030 . 2 . . . A 40 GLY HA3 . 18518 1 553 . 1 1 40 40 GLY C C 13 173.447 0.030 . 1 . . . A 40 GLY C . 18518 1 554 . 1 1 40 40 GLY CA C 13 44.663 0.030 . 1 . . . A 40 GLY CA . 18518 1 555 . 1 1 41 41 GLU H H 1 7.380 0.030 . 1 . . . A 41 GLU H . 18518 1 556 . 1 1 41 41 GLU HA H 1 4.257 0.030 . 1 . . . A 41 GLU HA . 18518 1 557 . 1 1 41 41 GLU HB2 H 1 2.472 0.030 . 1 . . . A 41 GLU HB2 . 18518 1 558 . 1 1 41 41 GLU HB3 H 1 2.054 0.030 . 1 . . . A 41 GLU HB3 . 18518 1 559 . 1 1 41 41 GLU HG2 H 1 2.448 0.030 . 1 . . . A 41 GLU HG2 . 18518 1 560 . 1 1 41 41 GLU HG3 H 1 2.270 0.030 . 1 . . . A 41 GLU HG3 . 18518 1 561 . 1 1 41 41 GLU C C 13 176.524 0.030 . 1 . . . A 41 GLU C . 18518 1 562 . 1 1 41 41 GLU CA C 13 56.525 0.030 . 1 . . . A 41 GLU CA . 18518 1 563 . 1 1 41 41 GLU CB C 13 30.985 0.030 . 1 . . . A 41 GLU CB . 18518 1 564 . 1 1 41 41 GLU CG C 13 37.199 0.030 . 1 . . . A 41 GLU CG . 18518 1 565 . 1 1 41 41 GLU N N 15 122.836 0.030 . 1 . . . A 41 GLU N . 18518 1 566 . 1 1 42 42 LYS H H 1 9.034 0.030 . 1 . . . A 42 LYS H . 18518 1 567 . 1 1 42 42 LYS HA H 1 4.675 0.030 . 1 . . . A 42 LYS HA . 18518 1 568 . 1 1 42 42 LYS HB2 H 1 1.972 0.030 . 1 . . . A 42 LYS HB2 . 18518 1 569 . 1 1 42 42 LYS HB3 H 1 1.738 0.030 . 1 . . . A 42 LYS HB3 . 18518 1 570 . 1 1 42 42 LYS HG2 H 1 1.507 0.030 . 1 . . . A 42 LYS HG2 . 18518 1 571 . 1 1 42 42 LYS HG3 H 1 1.410 0.030 . 1 . . . A 42 LYS HG3 . 18518 1 572 . 1 1 42 42 LYS HD2 H 1 1.681 0.030 . 1 . . . A 42 LYS HD2 . 18518 1 573 . 1 1 42 42 LYS HD3 H 1 1.633 0.030 . 1 . . . A 42 LYS HD3 . 18518 1 574 . 1 1 42 42 LYS HE2 H 1 2.982 0.030 . 1 . . . A 42 LYS HE2 . 18518 1 575 . 1 1 42 42 LYS HE3 H 1 2.982 0.030 . 1 . . . A 42 LYS HE3 . 18518 1 576 . 1 1 42 42 LYS C C 13 177.538 0.030 . 1 . . . A 42 LYS C . 18518 1 577 . 1 1 42 42 LYS CA C 13 55.840 0.030 . 1 . . . A 42 LYS CA . 18518 1 578 . 1 1 42 42 LYS CB C 13 34.979 0.030 . 1 . . . A 42 LYS CB . 18518 1 579 . 1 1 42 42 LYS CG C 13 24.474 0.030 . 1 . . . A 42 LYS CG . 18518 1 580 . 1 1 42 42 LYS CD C 13 28.762 0.030 . 1 . . . A 42 LYS CD . 18518 1 581 . 1 1 42 42 LYS CE C 13 42.197 0.030 . 1 . . . A 42 LYS CE . 18518 1 582 . 1 1 42 42 LYS N N 15 124.040 0.030 . 1 . . . A 42 LYS N . 18518 1 583 . 1 1 43 43 GLN H H 1 8.435 0.030 . 1 . . . A 43 GLN H . 18518 1 584 . 1 1 43 43 GLN HA H 1 4.542 0.030 . 1 . . . A 43 GLN HA . 18518 1 585 . 1 1 43 43 GLN HB2 H 1 2.292 0.030 . 2 . . . A 43 GLN HB2 . 18518 1 586 . 1 1 43 43 GLN HB3 H 1 2.202 0.030 . 2 . . . A 43 GLN HB3 . 18518 1 587 . 1 1 43 43 GLN HG2 H 1 2.479 0.030 . 2 . . . A 43 GLN HG2 . 18518 1 588 . 1 1 43 43 GLN HG3 H 1 2.399 0.030 . 2 . . . A 43 GLN HG3 . 18518 1 589 . 1 1 43 43 GLN HE21 H 1 7.593 0.030 . 2 . . . A 43 GLN HE21 . 18518 1 590 . 1 1 43 43 GLN HE22 H 1 6.962 0.030 . 2 . . . A 43 GLN HE22 . 18518 1 591 . 1 1 43 43 GLN C C 13 177.336 0.030 . 1 . . . A 43 GLN C . 18518 1 592 . 1 1 43 43 GLN CA C 13 57.673 0.030 . 1 . . . A 43 GLN CA . 18518 1 593 . 1 1 43 43 GLN CB C 13 30.782 0.030 . 1 . . . A 43 GLN CB . 18518 1 594 . 1 1 43 43 GLN CG C 13 34.197 0.030 . 1 . . . A 43 GLN CG . 18518 1 595 . 1 1 43 43 GLN CD C 13 180.164 0.030 . 1 . . . A 43 GLN CD . 18518 1 596 . 1 1 43 43 GLN N N 15 119.259 0.030 . 1 . . . A 43 GLN N . 18518 1 597 . 1 1 43 43 GLN NE2 N 15 111.676 0.030 . 1 . . . A 43 GLN NE2 . 18518 1 598 . 1 1 44 44 LEU H H 1 9.126 0.030 . 1 . . . A 44 LEU H . 18518 1 599 . 1 1 44 44 LEU HA H 1 4.695 0.030 . 1 . . . A 44 LEU HA . 18518 1 600 . 1 1 44 44 LEU HB2 H 1 1.808 0.030 . 2 . . . A 44 LEU HB2 . 18518 1 601 . 1 1 44 44 LEU HB3 H 1 1.719 0.030 . 2 . . . A 44 LEU HB3 . 18518 1 602 . 1 1 44 44 LEU HG H 1 2.034 0.030 . 1 . . . A 44 LEU HG . 18518 1 603 . 1 1 44 44 LEU HD11 H 1 1.183 0.030 . 1 . . . A 44 LEU HD11 . 18518 1 604 . 1 1 44 44 LEU HD12 H 1 1.183 0.030 . 1 . . . A 44 LEU HD12 . 18518 1 605 . 1 1 44 44 LEU HD13 H 1 1.183 0.030 . 1 . . . A 44 LEU HD13 . 18518 1 606 . 1 1 44 44 LEU HD21 H 1 1.247 0.030 . 1 . . . A 44 LEU HD21 . 18518 1 607 . 1 1 44 44 LEU HD22 H 1 1.247 0.030 . 1 . . . A 44 LEU HD22 . 18518 1 608 . 1 1 44 44 LEU HD23 H 1 1.247 0.030 . 1 . . . A 44 LEU HD23 . 18518 1 609 . 1 1 44 44 LEU CA C 13 53.245 0.030 . 1 . . . A 44 LEU CA . 18518 1 610 . 1 1 44 44 LEU CB C 13 43.596 0.030 . 1 . . . A 44 LEU CB . 18518 1 611 . 1 1 44 44 LEU CG C 13 27.605 0.030 . 1 . . . A 44 LEU CG . 18518 1 612 . 1 1 44 44 LEU CD1 C 13 28.403 0.030 . 2 . . . A 44 LEU CD1 . 18518 1 613 . 1 1 44 44 LEU CD2 C 13 24.667 0.030 . 2 . . . A 44 LEU CD2 . 18518 1 614 . 1 1 44 44 LEU N N 15 120.760 0.030 . 1 . . . A 44 LEU N . 18518 1 615 . 1 1 45 45 PRO HA H 1 4.717 0.030 . 1 . . . A 45 PRO HA . 18518 1 616 . 1 1 45 45 PRO HB2 H 1 2.442 0.030 . 2 . . . A 45 PRO HB2 . 18518 1 617 . 1 1 45 45 PRO HB3 H 1 1.997 0.030 . 2 . . . A 45 PRO HB3 . 18518 1 618 . 1 1 45 45 PRO HG2 H 1 2.183 0.030 . 2 . . . A 45 PRO HG2 . 18518 1 619 . 1 1 45 45 PRO HG3 H 1 2.065 0.030 . 2 . . . A 45 PRO HG3 . 18518 1 620 . 1 1 45 45 PRO HD2 H 1 4.015 0.030 . 2 . . . A 45 PRO HD2 . 18518 1 621 . 1 1 45 45 PRO HD3 H 1 3.420 0.030 . 2 . . . A 45 PRO HD3 . 18518 1 622 . 1 1 45 45 PRO C C 13 175.797 0.030 . 1 . . . A 45 PRO C . 18518 1 623 . 1 1 45 45 PRO CA C 13 62.111 0.030 . 1 . . . A 45 PRO CA . 18518 1 624 . 1 1 45 45 PRO CB C 13 32.592 0.030 . 1 . . . A 45 PRO CB . 18518 1 625 . 1 1 45 45 PRO CG C 13 27.184 0.030 . 1 . . . A 45 PRO CG . 18518 1 626 . 1 1 45 45 PRO CD C 13 50.420 0.030 . 1 . . . A 45 PRO CD . 18518 1 627 . 1 1 46 46 VAL H H 1 8.543 0.030 . 1 . . . A 46 VAL H . 18518 1 628 . 1 1 46 46 VAL HA H 1 3.867 0.030 . 1 . . . A 46 VAL HA . 18518 1 629 . 1 1 46 46 VAL HB H 1 2.043 0.030 . 1 . . . A 46 VAL HB . 18518 1 630 . 1 1 46 46 VAL HG11 H 1 0.995 0.030 . 1 . . . A 46 VAL HG11 . 18518 1 631 . 1 1 46 46 VAL HG12 H 1 0.995 0.030 . 1 . . . A 46 VAL HG12 . 18518 1 632 . 1 1 46 46 VAL HG13 H 1 0.995 0.030 . 1 . . . A 46 VAL HG13 . 18518 1 633 . 1 1 46 46 VAL HG21 H 1 0.998 0.030 . 1 . . . A 46 VAL HG21 . 18518 1 634 . 1 1 46 46 VAL HG22 H 1 0.998 0.030 . 1 . . . A 46 VAL HG22 . 18518 1 635 . 1 1 46 46 VAL HG23 H 1 0.998 0.030 . 1 . . . A 46 VAL HG23 . 18518 1 636 . 1 1 46 46 VAL C C 13 175.640 0.030 . 1 . . . A 46 VAL C . 18518 1 637 . 1 1 46 46 VAL CA C 13 62.944 0.030 . 1 . . . A 46 VAL CA . 18518 1 638 . 1 1 46 46 VAL CB C 13 32.799 0.030 . 1 . . . A 46 VAL CB . 18518 1 639 . 1 1 46 46 VAL CG1 C 13 21.291 0.030 . 2 . . . A 46 VAL CG1 . 18518 1 640 . 1 1 46 46 VAL CG2 C 13 20.991 0.030 . 2 . . . A 46 VAL CG2 . 18518 1 641 . 1 1 46 46 VAL N N 15 119.052 0.030 . 1 . . . A 46 VAL N . 18518 1 642 . 1 1 47 47 LEU H H 1 7.799 0.030 . 1 . . . A 47 LEU H . 18518 1 643 . 1 1 47 47 LEU HA H 1 4.309 0.030 . 1 . . . A 47 LEU HA . 18518 1 644 . 1 1 47 47 LEU HB2 H 1 2.127 0.030 . 2 . . . A 47 LEU HB2 . 18518 1 645 . 1 1 47 47 LEU HB3 H 1 1.655 0.030 . 2 . . . A 47 LEU HB3 . 18518 1 646 . 1 1 47 47 LEU HG H 1 1.668 0.030 . 1 . . . A 47 LEU HG . 18518 1 647 . 1 1 47 47 LEU HD11 H 1 0.959 0.030 . 1 . . . A 47 LEU HD11 . 18518 1 648 . 1 1 47 47 LEU HD12 H 1 0.959 0.030 . 1 . . . A 47 LEU HD12 . 18518 1 649 . 1 1 47 47 LEU HD13 H 1 0.959 0.030 . 1 . . . A 47 LEU HD13 . 18518 1 650 . 1 1 47 47 LEU HD21 H 1 0.964 0.030 . 1 . . . A 47 LEU HD21 . 18518 1 651 . 1 1 47 47 LEU HD22 H 1 0.964 0.030 . 1 . . . A 47 LEU HD22 . 18518 1 652 . 1 1 47 47 LEU HD23 H 1 0.964 0.030 . 1 . . . A 47 LEU HD23 . 18518 1 653 . 1 1 47 47 LEU C C 13 176.198 0.030 . 1 . . . A 47 LEU C . 18518 1 654 . 1 1 47 47 LEU CA C 13 55.006 0.030 . 1 . . . A 47 LEU CA . 18518 1 655 . 1 1 47 47 LEU CB C 13 43.832 0.030 . 1 . . . A 47 LEU CB . 18518 1 656 . 1 1 47 47 LEU CG C 13 27.300 0.030 . 1 . . . A 47 LEU CG . 18518 1 657 . 1 1 47 47 LEU CD1 C 13 25.834 0.030 . 2 . . . A 47 LEU CD1 . 18518 1 658 . 1 1 47 47 LEU CD2 C 13 25.134 0.030 . 2 . . . A 47 LEU CD2 . 18518 1 659 . 1 1 47 47 LEU N N 15 130.203 0.030 . 1 . . . A 47 LEU N . 18518 1 660 . 1 1 48 48 ASP H H 1 8.780 0.030 . 1 . . . A 48 ASP H . 18518 1 661 . 1 1 48 48 ASP HA H 1 4.263 0.030 . 1 . . . A 48 ASP HA . 18518 1 662 . 1 1 48 48 ASP HB2 H 1 2.848 0.030 . 1 . . . A 48 ASP HB2 . 18518 1 663 . 1 1 48 48 ASP HB3 H 1 2.738 0.030 . 1 . . . A 48 ASP HB3 . 18518 1 664 . 1 1 48 48 ASP C C 13 175.294 0.030 . 1 . . . A 48 ASP C . 18518 1 665 . 1 1 48 48 ASP CA C 13 55.832 0.030 . 1 . . . A 48 ASP CA . 18518 1 666 . 1 1 48 48 ASP CB C 13 40.184 0.030 . 1 . . . A 48 ASP CB . 18518 1 667 . 1 1 48 48 ASP N N 15 122.403 0.030 . 1 . . . A 48 ASP N . 18518 1 668 . 1 1 49 49 LYS H H 1 7.280 0.030 . 1 . . . A 49 LYS H . 18518 1 669 . 1 1 49 49 LYS HA H 1 4.585 0.030 . 1 . . . A 49 LYS HA . 18518 1 670 . 1 1 49 49 LYS HB2 H 1 1.495 0.030 . 1 . . . A 49 LYS HB2 . 18518 1 671 . 1 1 49 49 LYS HB3 H 1 1.289 0.030 . 1 . . . A 49 LYS HB3 . 18518 1 672 . 1 1 49 49 LYS HG2 H 1 1.197 0.030 . 1 . . . A 49 LYS HG2 . 18518 1 673 . 1 1 49 49 LYS HG3 H 1 1.197 0.030 . 1 . . . A 49 LYS HG3 . 18518 1 674 . 1 1 49 49 LYS HD2 H 1 1.724 0.030 . 1 . . . A 49 LYS HD2 . 18518 1 675 . 1 1 49 49 LYS HD3 H 1 1.520 0.030 . 1 . . . A 49 LYS HD3 . 18518 1 676 . 1 1 49 49 LYS HE2 H 1 2.839 0.030 . 1 . . . A 49 LYS HE2 . 18518 1 677 . 1 1 49 49 LYS HE3 H 1 2.783 0.030 . 1 . . . A 49 LYS HE3 . 18518 1 678 . 1 1 49 49 LYS C C 13 174.678 0.030 . 1 . . . A 49 LYS C . 18518 1 679 . 1 1 49 49 LYS CA C 13 53.652 0.030 . 1 . . . A 49 LYS CA . 18518 1 680 . 1 1 49 49 LYS CB C 13 35.945 0.030 . 1 . . . A 49 LYS CB . 18518 1 681 . 1 1 49 49 LYS CG C 13 24.453 0.030 . 1 . . . A 49 LYS CG . 18518 1 682 . 1 1 49 49 LYS CD C 13 28.231 0.030 . 1 . . . A 49 LYS CD . 18518 1 683 . 1 1 49 49 LYS CE C 13 42.185 0.030 . 1 . . . A 49 LYS CE . 18518 1 684 . 1 1 49 49 LYS N N 15 119.569 0.030 . 1 . . . A 49 LYS N . 18518 1 685 . 1 1 50 50 THR H H 1 8.042 0.030 . 1 . . . A 50 THR H . 18518 1 686 . 1 1 50 50 THR HA H 1 4.811 0.030 . 1 . . . A 50 THR HA . 18518 1 687 . 1 1 50 50 THR HB H 1 4.068 0.030 . 1 . . . A 50 THR HB . 18518 1 688 . 1 1 50 50 THR HG21 H 1 1.231 0.030 . 1 . . . A 50 THR HG21 . 18518 1 689 . 1 1 50 50 THR HG22 H 1 1.231 0.030 . 1 . . . A 50 THR HG22 . 18518 1 690 . 1 1 50 50 THR HG23 H 1 1.231 0.030 . 1 . . . A 50 THR HG23 . 18518 1 691 . 1 1 50 50 THR C C 13 172.425 0.030 . 1 . . . A 50 THR C . 18518 1 692 . 1 1 50 50 THR CA C 13 62.645 0.030 . 1 . . . A 50 THR CA . 18518 1 693 . 1 1 50 50 THR CB C 13 71.648 0.030 . 1 . . . A 50 THR CB . 18518 1 694 . 1 1 50 50 THR CG2 C 13 22.494 0.030 . 1 . . . A 50 THR CG2 . 18518 1 695 . 1 1 50 50 THR N N 15 110.862 0.030 . 1 . . . A 50 THR N . 18518 1 696 . 1 1 51 51 LYS H H 1 7.119 0.030 . 1 . . . A 51 LYS H . 18518 1 697 . 1 1 51 51 LYS HA H 1 4.625 0.030 . 1 . . . A 51 LYS HA . 18518 1 698 . 1 1 51 51 LYS HB2 H 1 0.889 0.030 . 1 . . . A 51 LYS HB2 . 18518 1 699 . 1 1 51 51 LYS HB3 H 1 0.431 0.030 . 1 . . . A 51 LYS HB3 . 18518 1 700 . 1 1 51 51 LYS HG2 H 1 0.934 0.030 . 1 . . . A 51 LYS HG2 . 18518 1 701 . 1 1 51 51 LYS HG3 H 1 0.335 0.030 . 1 . . . A 51 LYS HG3 . 18518 1 702 . 1 1 51 51 LYS HD2 H 1 1.014 0.030 . 1 . . . A 51 LYS HD2 . 18518 1 703 . 1 1 51 51 LYS HD3 H 1 1.014 0.030 . 1 . . . A 51 LYS HD3 . 18518 1 704 . 1 1 51 51 LYS HE2 H 1 1.840 0.030 . 1 . . . A 51 LYS HE2 . 18518 1 705 . 1 1 51 51 LYS HE3 H 1 1.840 0.030 . 1 . . . A 51 LYS HE3 . 18518 1 706 . 1 1 51 51 LYS C C 13 175.082 0.030 . 1 . . . A 51 LYS C . 18518 1 707 . 1 1 51 51 LYS CA C 13 54.704 0.030 . 1 . . . A 51 LYS CA . 18518 1 708 . 1 1 51 51 LYS CB C 13 32.376 0.030 . 1 . . . A 51 LYS CB . 18518 1 709 . 1 1 51 51 LYS CG C 13 23.122 0.030 . 1 . . . A 51 LYS CG . 18518 1 710 . 1 1 51 51 LYS CD C 13 29.504 0.030 . 1 . . . A 51 LYS CD . 18518 1 711 . 1 1 51 51 LYS CE C 13 40.905 0.030 . 1 . . . A 51 LYS CE . 18518 1 712 . 1 1 51 51 LYS N N 15 120.008 0.030 . 1 . . . A 51 LYS N . 18518 1 713 . 1 1 52 52 PHE H H 1 9.709 0.030 . 1 . . . A 52 PHE H . 18518 1 714 . 1 1 52 52 PHE HA H 1 5.337 0.030 . 1 . . . A 52 PHE HA . 18518 1 715 . 1 1 52 52 PHE HB2 H 1 2.732 0.030 . 2 . . . A 52 PHE HB2 . 18518 1 716 . 1 1 52 52 PHE HB3 H 1 2.661 0.030 . 2 . . . A 52 PHE HB3 . 18518 1 717 . 1 1 52 52 PHE HD1 H 1 6.983 0.030 . 3 . . . A 52 PHE HD1 . 18518 1 718 . 1 1 52 52 PHE HD2 H 1 6.983 0.030 . 3 . . . A 52 PHE HD2 . 18518 1 719 . 1 1 52 52 PHE HE1 H 1 6.963 0.030 . 3 . . . A 52 PHE HE1 . 18518 1 720 . 1 1 52 52 PHE HE2 H 1 6.963 0.030 . 3 . . . A 52 PHE HE2 . 18518 1 721 . 1 1 52 52 PHE HZ H 1 6.887 0.030 . 1 . . . A 52 PHE HZ . 18518 1 722 . 1 1 52 52 PHE C C 13 174.213 0.030 . 1 . . . A 52 PHE C . 18518 1 723 . 1 1 52 52 PHE CA C 13 56.611 0.030 . 1 . . . A 52 PHE CA . 18518 1 724 . 1 1 52 52 PHE CB C 13 43.140 0.030 . 1 . . . A 52 PHE CB . 18518 1 725 . 1 1 52 52 PHE CD2 C 13 131.960 0.030 . 3 . . . A 52 PHE CD2 . 18518 1 726 . 1 1 52 52 PHE CE2 C 13 130.080 0.030 . 3 . . . A 52 PHE CE2 . 18518 1 727 . 1 1 52 52 PHE CZ C 13 129.248 0.030 . 1 . . . A 52 PHE CZ . 18518 1 728 . 1 1 52 52 PHE N N 15 122.640 0.030 . 1 . . . A 52 PHE N . 18518 1 729 . 1 1 53 53 LEU H H 1 8.959 0.030 . 1 . . . A 53 LEU H . 18518 1 730 . 1 1 53 53 LEU HA H 1 4.947 0.030 . 1 . . . A 53 LEU HA . 18518 1 731 . 1 1 53 53 LEU HB2 H 1 1.294 0.030 . 2 . . . A 53 LEU HB2 . 18518 1 732 . 1 1 53 53 LEU HB3 H 1 0.935 0.030 . 2 . . . A 53 LEU HB3 . 18518 1 733 . 1 1 53 53 LEU HG H 1 1.096 0.030 . 1 . . . A 53 LEU HG . 18518 1 734 . 1 1 53 53 LEU HD11 H 1 -0.008 0.030 . 1 . . . A 53 LEU HD11 . 18518 1 735 . 1 1 53 53 LEU HD12 H 1 -0.008 0.030 . 1 . . . A 53 LEU HD12 . 18518 1 736 . 1 1 53 53 LEU HD13 H 1 -0.008 0.030 . 1 . . . A 53 LEU HD13 . 18518 1 737 . 1 1 53 53 LEU HD21 H 1 0.150 0.030 . 1 . . . A 53 LEU HD21 . 18518 1 738 . 1 1 53 53 LEU HD22 H 1 0.150 0.030 . 1 . . . A 53 LEU HD22 . 18518 1 739 . 1 1 53 53 LEU HD23 H 1 0.150 0.030 . 1 . . . A 53 LEU HD23 . 18518 1 740 . 1 1 53 53 LEU C C 13 175.769 0.030 . 1 . . . A 53 LEU C . 18518 1 741 . 1 1 53 53 LEU CA C 13 52.957 0.030 . 1 . . . A 53 LEU CA . 18518 1 742 . 1 1 53 53 LEU CB C 13 44.415 0.030 . 1 . . . A 53 LEU CB . 18518 1 743 . 1 1 53 53 LEU CG C 13 26.198 0.030 . 1 . . . A 53 LEU CG . 18518 1 744 . 1 1 53 53 LEU CD1 C 13 24.236 0.030 . 2 . . . A 53 LEU CD1 . 18518 1 745 . 1 1 53 53 LEU CD2 C 13 23.446 0.030 . 2 . . . A 53 LEU CD2 . 18518 1 746 . 1 1 53 53 LEU N N 15 122.157 0.030 . 1 . . . A 53 LEU N . 18518 1 747 . 1 1 54 54 VAL H H 1 8.922 0.030 . 1 . . . A 54 VAL H . 18518 1 748 . 1 1 54 54 VAL HA H 1 4.559 0.030 . 1 . . . A 54 VAL HA . 18518 1 749 . 1 1 54 54 VAL HB H 1 1.933 0.030 . 1 . . . A 54 VAL HB . 18518 1 750 . 1 1 54 54 VAL HG11 H 1 0.821 0.030 . 1 . . . A 54 VAL HG11 . 18518 1 751 . 1 1 54 54 VAL HG12 H 1 0.821 0.030 . 1 . . . A 54 VAL HG12 . 18518 1 752 . 1 1 54 54 VAL HG13 H 1 0.821 0.030 . 1 . . . A 54 VAL HG13 . 18518 1 753 . 1 1 54 54 VAL HG21 H 1 0.947 0.030 . 1 . . . A 54 VAL HG21 . 18518 1 754 . 1 1 54 54 VAL HG22 H 1 0.947 0.030 . 1 . . . A 54 VAL HG22 . 18518 1 755 . 1 1 54 54 VAL HG23 H 1 0.947 0.030 . 1 . . . A 54 VAL HG23 . 18518 1 756 . 1 1 54 54 VAL CA C 13 59.130 0.030 . 1 . . . A 54 VAL CA . 18518 1 757 . 1 1 54 54 VAL CB C 13 34.968 0.030 . 1 . . . A 54 VAL CB . 18518 1 758 . 1 1 54 54 VAL CG1 C 13 21.935 0.030 . 2 . . . A 54 VAL CG1 . 18518 1 759 . 1 1 54 54 VAL CG2 C 13 21.603 0.030 . 2 . . . A 54 VAL CG2 . 18518 1 760 . 1 1 54 54 VAL N N 15 124.919 0.030 . 1 . . . A 54 VAL N . 18518 1 761 . 1 1 55 55 PRO HA H 1 4.441 0.030 . 1 . . . A 55 PRO HA . 18518 1 762 . 1 1 55 55 PRO HB2 H 1 2.624 0.030 . 2 . . . A 55 PRO HB2 . 18518 1 763 . 1 1 55 55 PRO HB3 H 1 1.660 0.030 . 2 . . . A 55 PRO HB3 . 18518 1 764 . 1 1 55 55 PRO HG2 H 1 2.068 0.030 . 2 . . . A 55 PRO HG2 . 18518 1 765 . 1 1 55 55 PRO HG3 H 1 1.957 0.030 . 2 . . . A 55 PRO HG3 . 18518 1 766 . 1 1 55 55 PRO HD2 H 1 4.234 0.030 . 2 . . . A 55 PRO HD2 . 18518 1 767 . 1 1 55 55 PRO HD3 H 1 3.314 0.030 . 2 . . . A 55 PRO HD3 . 18518 1 768 . 1 1 55 55 PRO C C 13 176.594 0.030 . 1 . . . A 55 PRO C . 18518 1 769 . 1 1 55 55 PRO CA C 13 64.315 0.030 . 1 . . . A 55 PRO CA . 18518 1 770 . 1 1 55 55 PRO CB C 13 32.665 0.030 . 1 . . . A 55 PRO CB . 18518 1 771 . 1 1 55 55 PRO CG C 13 28.692 0.030 . 1 . . . A 55 PRO CG . 18518 1 772 . 1 1 55 55 PRO CD C 13 51.627 0.030 . 1 . . . A 55 PRO CD . 18518 1 773 . 1 1 56 56 ASP H H 1 8.347 0.030 . 1 . . . A 56 ASP H . 18518 1 774 . 1 1 56 56 ASP HA H 1 3.862 0.030 . 1 . . . A 56 ASP HA . 18518 1 775 . 1 1 56 56 ASP HB2 H 1 2.732 0.030 . 1 . . . A 56 ASP HB2 . 18518 1 776 . 1 1 56 56 ASP HB3 H 1 2.478 0.030 . 1 . . . A 56 ASP HB3 . 18518 1 777 . 1 1 56 56 ASP C C 13 175.809 0.030 . 1 . . . A 56 ASP C . 18518 1 778 . 1 1 56 56 ASP CA C 13 56.749 0.030 . 1 . . . A 56 ASP CA . 18518 1 779 . 1 1 56 56 ASP CB C 13 40.510 0.030 . 1 . . . A 56 ASP CB . 18518 1 780 . 1 1 56 56 ASP N N 15 120.522 0.030 . 1 . . . A 56 ASP N . 18518 1 781 . 1 1 57 57 HIS H H 1 7.557 0.030 . 1 . . . A 57 HIS H . 18518 1 782 . 1 1 57 57 HIS HA H 1 4.720 0.030 . 1 . . . A 57 HIS HA . 18518 1 783 . 1 1 57 57 HIS HB2 H 1 3.370 0.030 . 2 . . . A 57 HIS HB2 . 18518 1 784 . 1 1 57 57 HIS HB3 H 1 3.008 0.030 . 2 . . . A 57 HIS HB3 . 18518 1 785 . 1 1 57 57 HIS HD2 H 1 7.129 0.030 . 1 . . . A 57 HIS HD2 . 18518 1 786 . 1 1 57 57 HIS HE1 H 1 7.930 0.030 . 1 . . . A 57 HIS HE1 . 18518 1 787 . 1 1 57 57 HIS C C 13 176.507 0.030 . 1 . . . A 57 HIS C . 18518 1 788 . 1 1 57 57 HIS CA C 13 55.589 0.030 . 1 . . . A 57 HIS CA . 18518 1 789 . 1 1 57 57 HIS CB C 13 30.643 0.030 . 1 . . . A 57 HIS CB . 18518 1 790 . 1 1 57 57 HIS CD2 C 13 119.626 0.030 . 1 . . . A 57 HIS CD2 . 18518 1 791 . 1 1 57 57 HIS CE1 C 13 138.747 0.030 . 1 . . . A 57 HIS CE1 . 18518 1 792 . 1 1 57 57 HIS N N 15 113.482 0.030 . 1 . . . A 57 HIS N . 18518 1 793 . 1 1 58 58 VAL H H 1 7.345 0.030 . 1 . . . A 58 VAL H . 18518 1 794 . 1 1 58 58 VAL HA H 1 3.836 0.030 . 1 . . . A 58 VAL HA . 18518 1 795 . 1 1 58 58 VAL HB H 1 1.972 0.030 . 1 . . . A 58 VAL HB . 18518 1 796 . 1 1 58 58 VAL HG11 H 1 0.676 0.030 . 1 . . . A 58 VAL HG11 . 18518 1 797 . 1 1 58 58 VAL HG12 H 1 0.676 0.030 . 1 . . . A 58 VAL HG12 . 18518 1 798 . 1 1 58 58 VAL HG13 H 1 0.676 0.030 . 1 . . . A 58 VAL HG13 . 18518 1 799 . 1 1 58 58 VAL HG21 H 1 0.765 0.030 . 1 . . . A 58 VAL HG21 . 18518 1 800 . 1 1 58 58 VAL HG22 H 1 0.765 0.030 . 1 . . . A 58 VAL HG22 . 18518 1 801 . 1 1 58 58 VAL HG23 H 1 0.765 0.030 . 1 . . . A 58 VAL HG23 . 18518 1 802 . 1 1 58 58 VAL C C 13 175.019 0.030 . 1 . . . A 58 VAL C . 18518 1 803 . 1 1 58 58 VAL CA C 13 62.823 0.030 . 1 . . . A 58 VAL CA . 18518 1 804 . 1 1 58 58 VAL CB C 13 32.310 0.030 . 1 . . . A 58 VAL CB . 18518 1 805 . 1 1 58 58 VAL CG1 C 13 22.624 0.030 . 2 . . . A 58 VAL CG1 . 18518 1 806 . 1 1 58 58 VAL CG2 C 13 21.270 0.030 . 2 . . . A 58 VAL CG2 . 18518 1 807 . 1 1 58 58 VAL N N 15 123.279 0.030 . 1 . . . A 58 VAL N . 18518 1 808 . 1 1 59 59 ASN H H 1 8.735 0.030 . 1 . . . A 59 ASN H . 18518 1 809 . 1 1 59 59 ASN HA H 1 5.126 0.030 . 1 . . . A 59 ASN HA . 18518 1 810 . 1 1 59 59 ASN HB2 H 1 2.849 0.030 . 2 . . . A 59 ASN HB2 . 18518 1 811 . 1 1 59 59 ASN HB3 H 1 2.658 0.030 . 2 . . . A 59 ASN HB3 . 18518 1 812 . 1 1 59 59 ASN HD21 H 1 7.505 0.030 . 2 . . . A 59 ASN HD21 . 18518 1 813 . 1 1 59 59 ASN HD22 H 1 6.964 0.030 . 2 . . . A 59 ASN HD22 . 18518 1 814 . 1 1 59 59 ASN C C 13 176.558 0.030 . 1 . . . A 59 ASN C . 18518 1 815 . 1 1 59 59 ASN CA C 13 51.485 0.030 . 1 . . . A 59 ASN CA . 18518 1 816 . 1 1 59 59 ASN CB C 13 40.107 0.030 . 1 . . . A 59 ASN CB . 18518 1 817 . 1 1 59 59 ASN CG C 13 175.864 0.030 . 1 . . . A 59 ASN CG . 18518 1 818 . 1 1 59 59 ASN N N 15 123.781 0.030 . 1 . . . A 59 ASN N . 18518 1 819 . 1 1 59 59 ASN ND2 N 15 111.690 0.030 . 1 . . . A 59 ASN ND2 . 18518 1 820 . 1 1 60 60 MET H H 1 8.227 0.030 . 1 . . . A 60 MET H . 18518 1 821 . 1 1 60 60 MET HA H 1 4.395 0.030 . 1 . . . A 60 MET HA . 18518 1 822 . 1 1 60 60 MET HB2 H 1 2.273 0.030 . 2 . . . A 60 MET HB2 . 18518 1 823 . 1 1 60 60 MET HB3 H 1 2.060 0.030 . 2 . . . A 60 MET HB3 . 18518 1 824 . 1 1 60 60 MET HG2 H 1 2.796 0.030 . 2 . . . A 60 MET HG2 . 18518 1 825 . 1 1 60 60 MET HG3 H 1 2.719 0.030 . 2 . . . A 60 MET HG3 . 18518 1 826 . 1 1 60 60 MET HE1 H 1 1.973 0.030 . 1 . . . A 60 MET HE1 . 18518 1 827 . 1 1 60 60 MET HE2 H 1 1.973 0.030 . 1 . . . A 60 MET HE2 . 18518 1 828 . 1 1 60 60 MET HE3 H 1 1.973 0.030 . 1 . . . A 60 MET HE3 . 18518 1 829 . 1 1 60 60 MET C C 13 178.144 0.030 . 1 . . . A 60 MET C . 18518 1 830 . 1 1 60 60 MET CA C 13 57.097 0.030 . 1 . . . A 60 MET CA . 18518 1 831 . 1 1 60 60 MET CB C 13 30.140 0.030 . 1 . . . A 60 MET CB . 18518 1 832 . 1 1 60 60 MET CG C 13 32.330 0.030 . 1 . . . A 60 MET CG . 18518 1 833 . 1 1 60 60 MET CE C 13 16.217 0.030 . 1 . . . A 60 MET CE . 18518 1 834 . 1 1 60 60 MET N N 15 117.453 0.030 . 1 . . . A 60 MET N . 18518 1 835 . 1 1 61 61 SER H H 1 8.464 0.030 . 1 . . . A 61 SER H . 18518 1 836 . 1 1 61 61 SER HA H 1 4.111 0.030 . 1 . . . A 61 SER HA . 18518 1 837 . 1 1 61 61 SER HB2 H 1 3.898 0.030 . 2 . . . A 61 SER HB2 . 18518 1 838 . 1 1 61 61 SER HB3 H 1 3.898 0.030 . 2 . . . A 61 SER HB3 . 18518 1 839 . 1 1 61 61 SER C C 13 177.335 0.030 . 1 . . . A 61 SER C . 18518 1 840 . 1 1 61 61 SER CA C 13 61.590 0.030 . 1 . . . A 61 SER CA . 18518 1 841 . 1 1 61 61 SER CB C 13 62.402 0.030 . 1 . . . A 61 SER CB . 18518 1 842 . 1 1 61 61 SER N N 15 114.216 0.030 . 1 . . . A 61 SER N . 18518 1 843 . 1 1 62 62 GLU H H 1 7.994 0.030 . 1 . . . A 62 GLU H . 18518 1 844 . 1 1 62 62 GLU HA H 1 4.047 0.030 . 1 . . . A 62 GLU HA . 18518 1 845 . 1 1 62 62 GLU HB2 H 1 2.267 0.030 . 1 . . . A 62 GLU HB2 . 18518 1 846 . 1 1 62 62 GLU HB3 H 1 1.972 0.030 . 1 . . . A 62 GLU HB3 . 18518 1 847 . 1 1 62 62 GLU HG2 H 1 2.397 0.030 . 1 . . . A 62 GLU HG2 . 18518 1 848 . 1 1 62 62 GLU HG3 H 1 2.307 0.030 . 1 . . . A 62 GLU HG3 . 18518 1 849 . 1 1 62 62 GLU C C 13 178.686 0.030 . 1 . . . A 62 GLU C . 18518 1 850 . 1 1 62 62 GLU CA C 13 58.625 0.030 . 1 . . . A 62 GLU CA . 18518 1 851 . 1 1 62 62 GLU CB C 13 29.654 0.030 . 1 . . . A 62 GLU CB . 18518 1 852 . 1 1 62 62 GLU CG C 13 36.273 0.030 . 1 . . . A 62 GLU CG . 18518 1 853 . 1 1 62 62 GLU N N 15 123.004 0.030 . 1 . . . A 62 GLU N . 18518 1 854 . 1 1 63 63 LEU H H 1 8.130 0.030 . 1 . . . A 63 LEU H . 18518 1 855 . 1 1 63 63 LEU HA H 1 3.965 0.030 . 1 . . . A 63 LEU HA . 18518 1 856 . 1 1 63 63 LEU HB2 H 1 2.070 0.030 . 2 . . . A 63 LEU HB2 . 18518 1 857 . 1 1 63 63 LEU HB3 H 1 1.210 0.030 . 2 . . . A 63 LEU HB3 . 18518 1 858 . 1 1 63 63 LEU HG H 1 1.384 0.030 . 1 . . . A 63 LEU HG . 18518 1 859 . 1 1 63 63 LEU HD11 H 1 0.766 0.030 . 1 . . . A 63 LEU HD11 . 18518 1 860 . 1 1 63 63 LEU HD12 H 1 0.766 0.030 . 1 . . . A 63 LEU HD12 . 18518 1 861 . 1 1 63 63 LEU HD13 H 1 0.766 0.030 . 1 . . . A 63 LEU HD13 . 18518 1 862 . 1 1 63 63 LEU HD21 H 1 0.701 0.030 . 1 . . . A 63 LEU HD21 . 18518 1 863 . 1 1 63 63 LEU HD22 H 1 0.701 0.030 . 1 . . . A 63 LEU HD22 . 18518 1 864 . 1 1 63 63 LEU HD23 H 1 0.701 0.030 . 1 . . . A 63 LEU HD23 . 18518 1 865 . 1 1 63 63 LEU C C 13 178.046 0.030 . 1 . . . A 63 LEU C . 18518 1 866 . 1 1 63 63 LEU CA C 13 57.920 0.030 . 1 . . . A 63 LEU CA . 18518 1 867 . 1 1 63 63 LEU CB C 13 41.624 0.030 . 1 . . . A 63 LEU CB . 18518 1 868 . 1 1 63 63 LEU CG C 13 27.014 0.030 . 1 . . . A 63 LEU CG . 18518 1 869 . 1 1 63 63 LEU CD1 C 13 26.491 0.030 . 2 . . . A 63 LEU CD1 . 18518 1 870 . 1 1 63 63 LEU CD2 C 13 23.351 0.030 . 2 . . . A 63 LEU CD2 . 18518 1 871 . 1 1 63 63 LEU N N 15 120.818 0.030 . 1 . . . A 63 LEU N . 18518 1 872 . 1 1 64 64 ILE H H 1 8.488 0.030 . 1 . . . A 64 ILE H . 18518 1 873 . 1 1 64 64 ILE HA H 1 3.369 0.030 . 1 . . . A 64 ILE HA . 18518 1 874 . 1 1 64 64 ILE HB H 1 1.958 0.030 . 1 . . . A 64 ILE HB . 18518 1 875 . 1 1 64 64 ILE HG12 H 1 1.002 0.030 . 1 . . . A 64 ILE HG12 . 18518 1 876 . 1 1 64 64 ILE HG13 H 1 1.002 0.030 . 1 . . . A 64 ILE HG13 . 18518 1 877 . 1 1 64 64 ILE HG21 H 1 0.949 0.030 . 1 . . . A 64 ILE HG21 . 18518 1 878 . 1 1 64 64 ILE HG22 H 1 0.949 0.030 . 1 . . . A 64 ILE HG22 . 18518 1 879 . 1 1 64 64 ILE HG23 H 1 0.949 0.030 . 1 . . . A 64 ILE HG23 . 18518 1 880 . 1 1 64 64 ILE HD11 H 1 0.989 0.030 . 1 . . . A 64 ILE HD11 . 18518 1 881 . 1 1 64 64 ILE HD12 H 1 0.989 0.030 . 1 . . . A 64 ILE HD12 . 18518 1 882 . 1 1 64 64 ILE HD13 H 1 0.989 0.030 . 1 . . . A 64 ILE HD13 . 18518 1 883 . 1 1 64 64 ILE C C 13 177.127 0.030 . 1 . . . A 64 ILE C . 18518 1 884 . 1 1 64 64 ILE CA C 13 66.678 0.030 . 1 . . . A 64 ILE CA . 18518 1 885 . 1 1 64 64 ILE CB C 13 38.444 0.030 . 1 . . . A 64 ILE CB . 18518 1 886 . 1 1 64 64 ILE CG1 C 13 31.730 0.030 . 1 . . . A 64 ILE CG1 . 18518 1 887 . 1 1 64 64 ILE CG2 C 13 17.402 0.030 . 1 . . . A 64 ILE CG2 . 18518 1 888 . 1 1 64 64 ILE CD1 C 13 14.184 0.030 . 1 . . . A 64 ILE CD1 . 18518 1 889 . 1 1 64 64 ILE N N 15 118.528 0.030 . 1 . . . A 64 ILE N . 18518 1 890 . 1 1 65 65 LYS H H 1 7.347 0.030 . 1 . . . A 65 LYS H . 18518 1 891 . 1 1 65 65 LYS HA H 1 3.701 0.030 . 1 . . . A 65 LYS HA . 18518 1 892 . 1 1 65 65 LYS HB2 H 1 1.940 0.030 . 1 . . . A 65 LYS HB2 . 18518 1 893 . 1 1 65 65 LYS HB3 H 1 1.891 0.030 . 1 . . . A 65 LYS HB3 . 18518 1 894 . 1 1 65 65 LYS HG2 H 1 1.625 0.030 . 1 . . . A 65 LYS HG2 . 18518 1 895 . 1 1 65 65 LYS HG3 H 1 1.337 0.030 . 1 . . . A 65 LYS HG3 . 18518 1 896 . 1 1 65 65 LYS HD2 H 1 1.681 0.030 . 1 . . . A 65 LYS HD2 . 18518 1 897 . 1 1 65 65 LYS HD3 H 1 1.681 0.030 . 1 . . . A 65 LYS HD3 . 18518 1 898 . 1 1 65 65 LYS HE2 H 1 2.890 0.030 . 1 . . . A 65 LYS HE2 . 18518 1 899 . 1 1 65 65 LYS HE3 H 1 2.890 0.030 . 1 . . . A 65 LYS HE3 . 18518 1 900 . 1 1 65 65 LYS C C 13 179.291 0.030 . 1 . . . A 65 LYS C . 18518 1 901 . 1 1 65 65 LYS CA C 13 60.440 0.030 . 1 . . . A 65 LYS CA . 18518 1 902 . 1 1 65 65 LYS CB C 13 32.371 0.030 . 1 . . . A 65 LYS CB . 18518 1 903 . 1 1 65 65 LYS CG C 13 25.496 0.030 . 1 . . . A 65 LYS CG . 18518 1 904 . 1 1 65 65 LYS CD C 13 29.636 0.030 . 1 . . . A 65 LYS CD . 18518 1 905 . 1 1 65 65 LYS CE C 13 42.146 0.030 . 1 . . . A 65 LYS CE . 18518 1 906 . 1 1 65 65 LYS N N 15 118.336 0.030 . 1 . . . A 65 LYS N . 18518 1 907 . 1 1 66 66 ILE H H 1 7.901 0.030 . 1 . . . A 66 ILE H . 18518 1 908 . 1 1 66 66 ILE HA H 1 3.578 0.030 . 1 . . . A 66 ILE HA . 18518 1 909 . 1 1 66 66 ILE HB H 1 1.963 0.030 . 1 . . . A 66 ILE HB . 18518 1 910 . 1 1 66 66 ILE HG12 H 1 1.128 0.030 . 1 . . . A 66 ILE HG12 . 18518 1 911 . 1 1 66 66 ILE HG13 H 1 1.128 0.030 . 1 . . . A 66 ILE HG13 . 18518 1 912 . 1 1 66 66 ILE HG21 H 1 0.841 0.030 . 1 . . . A 66 ILE HG21 . 18518 1 913 . 1 1 66 66 ILE HG22 H 1 0.841 0.030 . 1 . . . A 66 ILE HG22 . 18518 1 914 . 1 1 66 66 ILE HG23 H 1 0.841 0.030 . 1 . . . A 66 ILE HG23 . 18518 1 915 . 1 1 66 66 ILE HD11 H 1 0.784 0.030 . 1 . . . A 66 ILE HD11 . 18518 1 916 . 1 1 66 66 ILE HD12 H 1 0.784 0.030 . 1 . . . A 66 ILE HD12 . 18518 1 917 . 1 1 66 66 ILE HD13 H 1 0.784 0.030 . 1 . . . A 66 ILE HD13 . 18518 1 918 . 1 1 66 66 ILE C C 13 178.873 0.030 . 1 . . . A 66 ILE C . 18518 1 919 . 1 1 66 66 ILE CA C 13 65.16 0.030 . 1 . . . A 66 ILE CA . 18518 1 920 . 1 1 66 66 ILE CB C 13 38.633 0.030 . 1 . . . A 66 ILE CB . 18518 1 921 . 1 1 66 66 ILE CG1 C 13 29.404 0.030 . 1 . . . A 66 ILE CG1 . 18518 1 922 . 1 1 66 66 ILE CG2 C 13 17.088 0.030 . 1 . . . A 66 ILE CG2 . 18518 1 923 . 1 1 66 66 ILE CD1 C 13 13.710 0.030 . 1 . . . A 66 ILE CD1 . 18518 1 924 . 1 1 66 66 ILE N N 15 120.171 0.030 . 1 . . . A 66 ILE N . 18518 1 925 . 1 1 67 67 ILE H H 1 8.290 0.030 . 1 . . . A 67 ILE H . 18518 1 926 . 1 1 67 67 ILE HA H 1 3.446 0.030 . 1 . . . A 67 ILE HA . 18518 1 927 . 1 1 67 67 ILE HB H 1 1.777 0.030 . 1 . . . A 67 ILE HB . 18518 1 928 . 1 1 67 67 ILE HG12 H 1 1.435 0.030 . 2 . . . A 67 ILE HG12 . 18518 1 929 . 1 1 67 67 ILE HG13 H 1 1.014 0.030 . 2 . . . A 67 ILE HG13 . 18518 1 930 . 1 1 67 67 ILE HG21 H 1 0.547 0.030 . 1 . . . A 67 ILE HG21 . 18518 1 931 . 1 1 67 67 ILE HG22 H 1 0.547 0.030 . 1 . . . A 67 ILE HG22 . 18518 1 932 . 1 1 67 67 ILE HG23 H 1 0.547 0.030 . 1 . . . A 67 ILE HG23 . 18518 1 933 . 1 1 67 67 ILE HD11 H 1 0.129 0.030 . 1 . . . A 67 ILE HD11 . 18518 1 934 . 1 1 67 67 ILE HD12 H 1 0.129 0.030 . 1 . . . A 67 ILE HD12 . 18518 1 935 . 1 1 67 67 ILE HD13 H 1 0.129 0.030 . 1 . . . A 67 ILE HD13 . 18518 1 936 . 1 1 67 67 ILE C C 13 177.150 0.030 . 1 . . . A 67 ILE C . 18518 1 937 . 1 1 67 67 ILE CA C 13 62.806 0.030 . 1 . . . A 67 ILE CA . 18518 1 938 . 1 1 67 67 ILE CB C 13 34.995 0.030 . 1 . . . A 67 ILE CB . 18518 1 939 . 1 1 67 67 ILE CG1 C 13 27.017 0.030 . 1 . . . A 67 ILE CG1 . 18518 1 940 . 1 1 67 67 ILE CG2 C 13 18.843 0.030 . 1 . . . A 67 ILE CG2 . 18518 1 941 . 1 1 67 67 ILE CD1 C 13 9.111 0.030 . 1 . . . A 67 ILE CD1 . 18518 1 942 . 1 1 67 67 ILE N N 15 121.185 0.030 . 1 . . . A 67 ILE N . 18518 1 943 . 1 1 68 68 ARG H H 1 8.438 0.030 . 1 . . . A 68 ARG H . 18518 1 944 . 1 1 68 68 ARG HA H 1 2.931 0.030 . 1 . . . A 68 ARG HA . 18518 1 945 . 1 1 68 68 ARG HB2 H 1 1.540 0.030 . 1 . . . A 68 ARG HB2 . 18518 1 946 . 1 1 68 68 ARG HB3 H 1 1.540 0.030 . 1 . . . A 68 ARG HB3 . 18518 1 947 . 1 1 68 68 ARG HG2 H 1 1.258 0.030 . 1 . . . A 68 ARG HG2 . 18518 1 948 . 1 1 68 68 ARG HG3 H 1 0.573 0.030 . 1 . . . A 68 ARG HG3 . 18518 1 949 . 1 1 68 68 ARG HD2 H 1 3.217 0.030 . 1 . . . A 68 ARG HD2 . 18518 1 950 . 1 1 68 68 ARG HD3 H 1 2.791 0.030 . 1 . . . A 68 ARG HD3 . 18518 1 951 . 1 1 68 68 ARG HE H 1 7.087 0.030 . 1 . . . A 68 ARG HE . 18518 1 952 . 1 1 68 68 ARG HH22 H 1 7.488 0.030 . 1 . . . A 68 ARG HH22 . 18518 1 953 . 1 1 68 68 ARG C C 13 178.496 0.030 . 1 . . . A 68 ARG C . 18518 1 954 . 1 1 68 68 ARG CA C 13 60.636 0.030 . 1 . . . A 68 ARG CA . 18518 1 955 . 1 1 68 68 ARG CB C 13 30.440 0.030 . 1 . . . A 68 ARG CB . 18518 1 956 . 1 1 68 68 ARG CG C 13 28.905 0.030 . 1 . . . A 68 ARG CG . 18518 1 957 . 1 1 68 68 ARG CD C 13 43.337 0.030 . 1 . . . A 68 ARG CD . 18518 1 958 . 1 1 68 68 ARG N N 15 119.173 0.030 . 1 . . . A 68 ARG N . 18518 1 959 . 1 1 68 68 ARG NE N 15 81.296 0.030 . 1 . . . A 68 ARG NE . 18518 1 960 . 1 1 69 69 ARG H H 1 7.497 0.030 . 1 . . . A 69 ARG H . 18518 1 961 . 1 1 69 69 ARG HA H 1 4.134 0.030 . 1 . . . A 69 ARG HA . 18518 1 962 . 1 1 69 69 ARG HB2 H 1 1.891 0.030 . 1 . . . A 69 ARG HB2 . 18518 1 963 . 1 1 69 69 ARG HB3 H 1 1.870 0.030 . 1 . . . A 69 ARG HB3 . 18518 1 964 . 1 1 69 69 ARG HG2 H 1 1.712 0.030 . 1 . . . A 69 ARG HG2 . 18518 1 965 . 1 1 69 69 ARG HG3 H 1 1.602 0.030 . 1 . . . A 69 ARG HG3 . 18518 1 966 . 1 1 69 69 ARG HD2 H 1 3.175 0.030 . 1 . . . A 69 ARG HD2 . 18518 1 967 . 1 1 69 69 ARG HD3 H 1 3.175 0.030 . 1 . . . A 69 ARG HD3 . 18518 1 968 . 1 1 69 69 ARG HE H 1 7.301 0.030 . 1 . . . A 69 ARG HE . 18518 1 969 . 1 1 69 69 ARG HH22 H 1 7.50 0.030 . 1 . . . A 69 ARG HH22 . 18518 1 970 . 1 1 69 69 ARG C C 13 180.262 0.030 . 1 . . . A 69 ARG C . 18518 1 971 . 1 1 69 69 ARG CA C 13 58.707 0.030 . 1 . . . A 69 ARG CA . 18518 1 972 . 1 1 69 69 ARG CB C 13 29.953 0.030 . 1 . . . A 69 ARG CB . 18518 1 973 . 1 1 69 69 ARG CG C 13 27.381 0.030 . 1 . . . A 69 ARG CG . 18518 1 974 . 1 1 69 69 ARG CD C 13 43.587 0.030 . 1 . . . A 69 ARG CD . 18518 1 975 . 1 1 69 69 ARG N N 15 116.511 0.030 . 1 . . . A 69 ARG N . 18518 1 976 . 1 1 69 69 ARG NE N 15 84.641 0.030 . 1 . . . A 69 ARG NE . 18518 1 977 . 1 1 70 70 ARG H H 1 8.075 0.030 . 1 . . . A 70 ARG H . 18518 1 978 . 1 1 70 70 ARG HA H 1 4.016 0.030 . 1 . . . A 70 ARG HA . 18518 1 979 . 1 1 70 70 ARG HB2 H 1 1.819 0.030 . 1 . . . A 70 ARG HB2 . 18518 1 980 . 1 1 70 70 ARG HB3 H 1 1.819 0.030 . 1 . . . A 70 ARG HB3 . 18518 1 981 . 1 1 70 70 ARG HG2 H 1 1.811 0.030 . 1 . . . A 70 ARG HG2 . 18518 1 982 . 1 1 70 70 ARG HG3 H 1 1.703 0.030 . 1 . . . A 70 ARG HG3 . 18518 1 983 . 1 1 70 70 ARG HD2 H 1 3.265 0.030 . 1 . . . A 70 ARG HD2 . 18518 1 984 . 1 1 70 70 ARG HD3 H 1 2.961 0.030 . 1 . . . A 70 ARG HD3 . 18518 1 985 . 1 1 70 70 ARG HE H 1 8.769 0.030 . 1 . . . A 70 ARG HE . 18518 1 986 . 1 1 70 70 ARG HH12 H 1 7.215 0.030 . 1 . . . A 70 ARG HH12 . 18518 1 987 . 1 1 70 70 ARG HH22 H 1 7.256 0.030 . 1 . . . A 70 ARG HH22 . 18518 1 988 . 1 1 70 70 ARG C C 13 178.700 0.030 . 1 . . . A 70 ARG C . 18518 1 989 . 1 1 70 70 ARG CA C 13 59.460 0.030 . 1 . . . A 70 ARG CA . 18518 1 990 . 1 1 70 70 ARG CB C 13 30.312 0.030 . 1 . . . A 70 ARG CB . 18518 1 991 . 1 1 70 70 ARG CG C 13 29.293 0.030 . 1 . . . A 70 ARG CG . 18518 1 992 . 1 1 70 70 ARG CD C 13 43.346 0.030 . 1 . . . A 70 ARG CD . 18518 1 993 . 1 1 70 70 ARG N N 15 123.297 0.030 . 1 . . . A 70 ARG N . 18518 1 994 . 1 1 70 70 ARG NE N 15 83.970 0.030 . 1 . . . A 70 ARG NE . 18518 1 995 . 1 1 70 70 ARG NH1 N 15 72.531 0.030 . 1 . . . A 70 ARG NH1 . 18518 1 996 . 1 1 70 70 ARG NH2 N 15 72.478 0.030 . 1 . . . A 70 ARG NH2 . 18518 1 997 . 1 1 71 71 LEU H H 1 7.719 0.030 . 1 . . . A 71 LEU H . 18518 1 998 . 1 1 71 71 LEU HA H 1 4.065 0.030 . 1 . . . A 71 LEU HA . 18518 1 999 . 1 1 71 71 LEU HB2 H 1 1.517 0.030 . 2 . . . A 71 LEU HB2 . 18518 1 1000 . 1 1 71 71 LEU HB3 H 1 1.313 0.030 . 2 . . . A 71 LEU HB3 . 18518 1 1001 . 1 1 71 71 LEU HG H 1 1.501 0.030 . 1 . . . A 71 LEU HG . 18518 1 1002 . 1 1 71 71 LEU HD11 H 1 0.304 0.030 . 1 . . . A 71 LEU HD11 . 18518 1 1003 . 1 1 71 71 LEU HD12 H 1 0.304 0.030 . 1 . . . A 71 LEU HD12 . 18518 1 1004 . 1 1 71 71 LEU HD13 H 1 0.304 0.030 . 1 . . . A 71 LEU HD13 . 18518 1 1005 . 1 1 71 71 LEU HD21 H 1 0.671 0.030 . 1 . . . A 71 LEU HD21 . 18518 1 1006 . 1 1 71 71 LEU HD22 H 1 0.671 0.030 . 1 . . . A 71 LEU HD22 . 18518 1 1007 . 1 1 71 71 LEU HD23 H 1 0.671 0.030 . 1 . . . A 71 LEU HD23 . 18518 1 1008 . 1 1 71 71 LEU C C 13 174.956 0.030 . 1 . . . A 71 LEU C . 18518 1 1009 . 1 1 71 71 LEU CA C 13 55.126 0.030 . 1 . . . A 71 LEU CA . 18518 1 1010 . 1 1 71 71 LEU CB C 13 43.246 0.030 . 1 . . . A 71 LEU CB . 18518 1 1011 . 1 1 71 71 LEU CG C 13 26.752 0.030 . 1 . . . A 71 LEU CG . 18518 1 1012 . 1 1 71 71 LEU CD1 C 13 27.349 0.030 . 2 . . . A 71 LEU CD1 . 18518 1 1013 . 1 1 71 71 LEU CD2 C 13 23.384 0.030 . 2 . . . A 71 LEU CD2 . 18518 1 1014 . 1 1 71 71 LEU N N 15 116.829 0.030 . 1 . . . A 71 LEU N . 18518 1 1015 . 1 1 72 72 GLN H H 1 7.744 0.030 . 1 . . . A 72 GLN H . 18518 1 1016 . 1 1 72 72 GLN HA H 1 3.836 0.030 . 1 . . . A 72 GLN HA . 18518 1 1017 . 1 1 72 72 GLN HB2 H 1 2.224 0.030 . 2 . . . A 72 GLN HB2 . 18518 1 1018 . 1 1 72 72 GLN HB3 H 1 2.162 0.030 . 2 . . . A 72 GLN HB3 . 18518 1 1019 . 1 1 72 72 GLN HG2 H 1 2.231 0.030 . 2 . . . A 72 GLN HG2 . 18518 1 1020 . 1 1 72 72 GLN HG3 H 1 2.231 0.030 . 2 . . . A 72 GLN HG3 . 18518 1 1021 . 1 1 72 72 GLN HE21 H 1 7.626 0.030 . 2 . . . A 72 GLN HE21 . 18518 1 1022 . 1 1 72 72 GLN HE22 H 1 6.871 0.030 . 2 . . . A 72 GLN HE22 . 18518 1 1023 . 1 1 72 72 GLN C C 13 175.683 0.030 . 1 . . . A 72 GLN C . 18518 1 1024 . 1 1 72 72 GLN CA C 13 56.325 0.030 . 1 . . . A 72 GLN CA . 18518 1 1025 . 1 1 72 72 GLN CB C 13 26.004 0.030 . 1 . . . A 72 GLN CB . 18518 1 1026 . 1 1 72 72 GLN CG C 13 34.309 0.030 . 1 . . . A 72 GLN CG . 18518 1 1027 . 1 1 72 72 GLN CD C 13 181.782 0.030 . 1 . . . A 72 GLN CD . 18518 1 1028 . 1 1 72 72 GLN N N 15 114.991 0.030 . 1 . . . A 72 GLN N . 18518 1 1029 . 1 1 72 72 GLN NE2 N 15 112.699 0.030 . 1 . . . A 72 GLN NE2 . 18518 1 1030 . 1 1 73 73 LEU H H 1 7.500 0.030 . 1 . . . A 73 LEU H . 18518 1 1031 . 1 1 73 73 LEU HA H 1 4.236 0.030 . 1 . . . A 73 LEU HA . 18518 1 1032 . 1 1 73 73 LEU HB2 H 1 1.302 0.030 . 2 . . . A 73 LEU HB2 . 18518 1 1033 . 1 1 73 73 LEU HB3 H 1 1.302 0.030 . 2 . . . A 73 LEU HB3 . 18518 1 1034 . 1 1 73 73 LEU HG H 1 1.588 0.030 . 1 . . . A 73 LEU HG . 18518 1 1035 . 1 1 73 73 LEU HD11 H 1 0.521 0.030 . 1 . . . A 73 LEU HD11 . 18518 1 1036 . 1 1 73 73 LEU HD12 H 1 0.521 0.030 . 1 . . . A 73 LEU HD12 . 18518 1 1037 . 1 1 73 73 LEU HD13 H 1 0.521 0.030 . 1 . . . A 73 LEU HD13 . 18518 1 1038 . 1 1 73 73 LEU HD21 H 1 0.675 0.030 . 1 . . . A 73 LEU HD21 . 18518 1 1039 . 1 1 73 73 LEU HD22 H 1 0.675 0.030 . 1 . . . A 73 LEU HD22 . 18518 1 1040 . 1 1 73 73 LEU HD23 H 1 0.675 0.030 . 1 . . . A 73 LEU HD23 . 18518 1 1041 . 1 1 73 73 LEU C C 13 178.762 0.030 . 1 . . . A 73 LEU C . 18518 1 1042 . 1 1 73 73 LEU CA C 13 54.386 0.030 . 1 . . . A 73 LEU CA . 18518 1 1043 . 1 1 73 73 LEU CB C 13 42.091 0.030 . 1 . . . A 73 LEU CB . 18518 1 1044 . 1 1 73 73 LEU CG C 13 25.976 0.030 . 1 . . . A 73 LEU CG . 18518 1 1045 . 1 1 73 73 LEU CD1 C 13 26.393 0.030 . 2 . . . A 73 LEU CD1 . 18518 1 1046 . 1 1 73 73 LEU CD2 C 13 22.632 0.030 . 2 . . . A 73 LEU CD2 . 18518 1 1047 . 1 1 73 73 LEU N N 15 115.045 0.030 . 1 . . . A 73 LEU N . 18518 1 1048 . 1 1 74 74 ASN H H 1 9.045 0.030 . 1 . . . A 74 ASN H . 18518 1 1049 . 1 1 74 74 ASN HA H 1 4.690 0.030 . 1 . . . A 74 ASN HA . 18518 1 1050 . 1 1 74 74 ASN HB2 H 1 2.907 0.030 . 2 . . . A 74 ASN HB2 . 18518 1 1051 . 1 1 74 74 ASN HB3 H 1 2.812 0.030 . 2 . . . A 74 ASN HB3 . 18518 1 1052 . 1 1 74 74 ASN HD21 H 1 7.784 0.030 . 2 . . . A 74 ASN HD21 . 18518 1 1053 . 1 1 74 74 ASN HD22 H 1 7.087 0.030 . 2 . . . A 74 ASN HD22 . 18518 1 1054 . 1 1 74 74 ASN C C 13 176.617 0.030 . 1 . . . A 74 ASN C . 18518 1 1055 . 1 1 74 74 ASN CA C 13 52.685 0.030 . 1 . . . A 74 ASN CA . 18518 1 1056 . 1 1 74 74 ASN CB C 13 39.598 0.030 . 1 . . . A 74 ASN CB . 18518 1 1057 . 1 1 74 74 ASN CG C 13 176.469 0.030 . 1 . . . A 74 ASN CG . 18518 1 1058 . 1 1 74 74 ASN N N 15 121.700 0.030 . 1 . . . A 74 ASN N . 18518 1 1059 . 1 1 74 74 ASN ND2 N 15 114.547 0.030 . 1 . . . A 74 ASN ND2 . 18518 1 1060 . 1 1 75 75 ALA H H 1 8.784 0.030 . 1 . . . A 75 ALA H . 18518 1 1061 . 1 1 75 75 ALA HA H 1 3.964 0.030 . 1 . . . A 75 ALA HA . 18518 1 1062 . 1 1 75 75 ALA HB1 H 1 1.365 0.030 . 1 . . . A 75 ALA HB1 . 18518 1 1063 . 1 1 75 75 ALA HB2 H 1 1.365 0.030 . 1 . . . A 75 ALA HB2 . 18518 1 1064 . 1 1 75 75 ALA HB3 H 1 1.365 0.030 . 1 . . . A 75 ALA HB3 . 18518 1 1065 . 1 1 75 75 ALA C C 13 178.131 0.030 . 1 . . . A 75 ALA C . 18518 1 1066 . 1 1 75 75 ALA CA C 13 54.868 0.030 . 1 . . . A 75 ALA CA . 18518 1 1067 . 1 1 75 75 ALA CB C 13 18.718 0.030 . 1 . . . A 75 ALA CB . 18518 1 1068 . 1 1 75 75 ALA N N 15 123.952 0.030 . 1 . . . A 75 ALA N . 18518 1 1069 . 1 1 76 76 ASN H H 1 8.391 0.030 . 1 . . . A 76 ASN H . 18518 1 1070 . 1 1 76 76 ASN HA H 1 4.580 0.030 . 1 . . . A 76 ASN HA . 18518 1 1071 . 1 1 76 76 ASN HB2 H 1 2.831 0.030 . 2 . . . A 76 ASN HB2 . 18518 1 1072 . 1 1 76 76 ASN HB3 H 1 2.831 0.030 . 2 . . . A 76 ASN HB3 . 18518 1 1073 . 1 1 76 76 ASN HD21 H 1 7.620 0.030 . 2 . . . A 76 ASN HD21 . 18518 1 1074 . 1 1 76 76 ASN HD22 H 1 6.915 0.030 . 2 . . . A 76 ASN HD22 . 18518 1 1075 . 1 1 76 76 ASN C C 13 175.448 0.030 . 1 . . . A 76 ASN C . 18518 1 1076 . 1 1 76 76 ASN CA C 13 53.214 0.030 . 1 . . . A 76 ASN CA . 18518 1 1077 . 1 1 76 76 ASN CB C 13 38.320 0.030 . 1 . . . A 76 ASN CB . 18518 1 1078 . 1 1 76 76 ASN CG C 13 177.398 0.030 . 1 . . . A 76 ASN CG . 18518 1 1079 . 1 1 76 76 ASN N N 15 112.295 0.030 . 1 . . . A 76 ASN N . 18518 1 1080 . 1 1 76 76 ASN ND2 N 15 112.603 0.030 . 1 . . . A 76 ASN ND2 . 18518 1 1081 . 1 1 77 77 GLN H H 1 7.552 0.030 . 1 . . . A 77 GLN H . 18518 1 1082 . 1 1 77 77 GLN HA H 1 4.273 0.030 . 1 . . . A 77 GLN HA . 18518 1 1083 . 1 1 77 77 GLN HB2 H 1 2.154 0.030 . 2 . . . A 77 GLN HB2 . 18518 1 1084 . 1 1 77 77 GLN HB3 H 1 1.995 0.030 . 2 . . . A 77 GLN HB3 . 18518 1 1085 . 1 1 77 77 GLN HG2 H 1 2.386 0.030 . 2 . . . A 77 GLN HG2 . 18518 1 1086 . 1 1 77 77 GLN HG3 H 1 2.327 0.030 . 2 . . . A 77 GLN HG3 . 18518 1 1087 . 1 1 77 77 GLN HE21 H 1 8.332 0.030 . 2 . . . A 77 GLN HE21 . 18518 1 1088 . 1 1 77 77 GLN HE22 H 1 7.393 0.030 . 2 . . . A 77 GLN HE22 . 18518 1 1089 . 1 1 77 77 GLN C C 13 175.045 0.030 . 1 . . . A 77 GLN C . 18518 1 1090 . 1 1 77 77 GLN CA C 13 55.805 0.030 . 1 . . . A 77 GLN CA . 18518 1 1091 . 1 1 77 77 GLN CB C 13 30.157 0.030 . 1 . . . A 77 GLN CB . 18518 1 1092 . 1 1 77 77 GLN CG C 13 35.103 0.030 . 1 . . . A 77 GLN CG . 18518 1 1093 . 1 1 77 77 GLN CD C 13 180.096 0.030 . 1 . . . A 77 GLN CD . 18518 1 1094 . 1 1 77 77 GLN N N 15 120.577 0.030 . 1 . . . A 77 GLN N . 18518 1 1095 . 1 1 77 77 GLN NE2 N 15 115.240 0.030 . 1 . . . A 77 GLN NE2 . 18518 1 1096 . 1 1 78 78 ALA H H 1 8.799 0.030 . 1 . . . A 78 ALA H . 18518 1 1097 . 1 1 78 78 ALA HA H 1 4.171 0.030 . 1 . . . A 78 ALA HA . 18518 1 1098 . 1 1 78 78 ALA HB1 H 1 1.526 0.030 . 1 . . . A 78 ALA HB1 . 18518 1 1099 . 1 1 78 78 ALA HB2 H 1 1.526 0.030 . 1 . . . A 78 ALA HB2 . 18518 1 1100 . 1 1 78 78 ALA HB3 H 1 1.526 0.030 . 1 . . . A 78 ALA HB3 . 18518 1 1101 . 1 1 78 78 ALA C C 13 176.512 0.030 . 1 . . . A 78 ALA C . 18518 1 1102 . 1 1 78 78 ALA CA C 13 52.842 0.030 . 1 . . . A 78 ALA CA . 18518 1 1103 . 1 1 78 78 ALA CB C 13 20.060 0.030 . 1 . . . A 78 ALA CB . 18518 1 1104 . 1 1 78 78 ALA N N 15 130.670 0.030 . 1 . . . A 78 ALA N . 18518 1 1105 . 1 1 79 79 PHE H H 1 7.664 0.030 . 1 . . . A 79 PHE H . 18518 1 1106 . 1 1 79 79 PHE HA H 1 4.434 0.030 . 1 . . . A 79 PHE HA . 18518 1 1107 . 1 1 79 79 PHE HB2 H 1 2.747 0.030 . 2 . . . A 79 PHE HB2 . 18518 1 1108 . 1 1 79 79 PHE HB3 H 1 2.557 0.030 . 2 . . . A 79 PHE HB3 . 18518 1 1109 . 1 1 79 79 PHE HD1 H 1 6.933 0.030 . 3 . . . A 79 PHE HD1 . 18518 1 1110 . 1 1 79 79 PHE HD2 H 1 6.933 0.030 . 3 . . . A 79 PHE HD2 . 18518 1 1111 . 1 1 79 79 PHE HE1 H 1 6.918 0.030 . 3 . . . A 79 PHE HE1 . 18518 1 1112 . 1 1 79 79 PHE HE2 H 1 6.918 0.030 . 3 . . . A 79 PHE HE2 . 18518 1 1113 . 1 1 79 79 PHE HZ H 1 6.584 0.030 . 1 . . . A 79 PHE HZ . 18518 1 1114 . 1 1 79 79 PHE C C 13 171.726 0.030 . 1 . . . A 79 PHE C . 18518 1 1115 . 1 1 79 79 PHE CA C 13 59.145 0.030 . 1 . . . A 79 PHE CA . 18518 1 1116 . 1 1 79 79 PHE CB C 13 42.171 0.030 . 1 . . . A 79 PHE CB . 18518 1 1117 . 1 1 79 79 PHE CD2 C 13 132.083 0.030 . 3 . . . A 79 PHE CD2 . 18518 1 1118 . 1 1 79 79 PHE CE2 C 13 131.232 0.030 . 3 . . . A 79 PHE CE2 . 18518 1 1119 . 1 1 79 79 PHE CZ C 13 128.719 0.030 . 1 . . . A 79 PHE CZ . 18518 1 1120 . 1 1 79 79 PHE N N 15 119.325 0.030 . 1 . . . A 79 PHE N . 18518 1 1121 . 1 1 80 80 PHE H H 1 8.508 0.030 . 1 . . . A 80 PHE H . 18518 1 1122 . 1 1 80 80 PHE HA H 1 4.392 0.030 . 1 . . . A 80 PHE HA . 18518 1 1123 . 1 1 80 80 PHE HB2 H 1 2.764 0.030 . 2 . . . A 80 PHE HB2 . 18518 1 1124 . 1 1 80 80 PHE HB3 H 1 2.396 0.030 . 2 . . . A 80 PHE HB3 . 18518 1 1125 . 1 1 80 80 PHE HD1 H 1 6.934 0.030 . 3 . . . A 80 PHE HD1 . 18518 1 1126 . 1 1 80 80 PHE HD2 H 1 6.934 0.030 . 3 . . . A 80 PHE HD2 . 18518 1 1127 . 1 1 80 80 PHE HE1 H 1 7.205 0.030 . 3 . . . A 80 PHE HE1 . 18518 1 1128 . 1 1 80 80 PHE HE2 H 1 7.205 0.030 . 3 . . . A 80 PHE HE2 . 18518 1 1129 . 1 1 80 80 PHE HZ H 1 7.270 0.030 . 1 . . . A 80 PHE HZ . 18518 1 1130 . 1 1 80 80 PHE C C 13 177.169 0.030 . 1 . . . A 80 PHE C . 18518 1 1131 . 1 1 80 80 PHE CA C 13 56.653 0.030 . 1 . . . A 80 PHE CA . 18518 1 1132 . 1 1 80 80 PHE CB C 13 41.933 0.030 . 1 . . . A 80 PHE CB . 18518 1 1133 . 1 1 80 80 PHE CD1 C 13 132.083 0.030 . 3 . . . A 80 PHE CD1 . 18518 1 1134 . 1 1 80 80 PHE CE1 C 13 130.885 0.030 . 3 . . . A 80 PHE CE1 . 18518 1 1135 . 1 1 80 80 PHE CZ C 13 129.552 0.030 . 1 . . . A 80 PHE CZ . 18518 1 1136 . 1 1 80 80 PHE N N 15 126.314 0.030 . 1 . . . A 80 PHE N . 18518 1 1137 . 1 1 81 81 LEU H H 1 8.229 0.030 . 1 . . . A 81 LEU H . 18518 1 1138 . 1 1 81 81 LEU HA H 1 4.851 0.030 . 1 . . . A 81 LEU HA . 18518 1 1139 . 1 1 81 81 LEU HB2 H 1 1.634 0.030 . 2 . . . A 81 LEU HB2 . 18518 1 1140 . 1 1 81 81 LEU HB3 H 1 1.273 0.030 . 2 . . . A 81 LEU HB3 . 18518 1 1141 . 1 1 81 81 LEU HG H 1 1.500 0.030 . 1 . . . A 81 LEU HG . 18518 1 1142 . 1 1 81 81 LEU HD11 H 1 0.837 0.030 . 1 . . . A 81 LEU HD11 . 18518 1 1143 . 1 1 81 81 LEU HD12 H 1 0.837 0.030 . 1 . . . A 81 LEU HD12 . 18518 1 1144 . 1 1 81 81 LEU HD13 H 1 0.837 0.030 . 1 . . . A 81 LEU HD13 . 18518 1 1145 . 1 1 81 81 LEU HD21 H 1 0.864 0.030 . 1 . . . A 81 LEU HD21 . 18518 1 1146 . 1 1 81 81 LEU HD22 H 1 0.864 0.030 . 1 . . . A 81 LEU HD22 . 18518 1 1147 . 1 1 81 81 LEU HD23 H 1 0.864 0.030 . 1 . . . A 81 LEU HD23 . 18518 1 1148 . 1 1 81 81 LEU C C 13 174.488 0.030 . 1 . . . A 81 LEU C . 18518 1 1149 . 1 1 81 81 LEU CA C 13 53.197 0.030 . 1 . . . A 81 LEU CA . 18518 1 1150 . 1 1 81 81 LEU CB C 13 45.100 0.030 . 1 . . . A 81 LEU CB . 18518 1 1151 . 1 1 81 81 LEU CG C 13 27.077 0.030 . 1 . . . A 81 LEU CG . 18518 1 1152 . 1 1 81 81 LEU CD1 C 13 25.995 0.030 . 2 . . . A 81 LEU CD1 . 18518 1 1153 . 1 1 81 81 LEU CD2 C 13 24.951 0.030 . 2 . . . A 81 LEU CD2 . 18518 1 1154 . 1 1 81 81 LEU N N 15 121.426 0.030 . 1 . . . A 81 LEU N . 18518 1 1155 . 1 1 82 82 LEU H H 1 9.400 0.030 . 1 . . . A 82 LEU H . 18518 1 1156 . 1 1 82 82 LEU HA H 1 4.833 0.030 . 1 . . . A 82 LEU HA . 18518 1 1157 . 1 1 82 82 LEU HB2 H 1 1.633 0.030 . 2 . . . A 82 LEU HB2 . 18518 1 1158 . 1 1 82 82 LEU HB3 H 1 0.999 0.030 . 2 . . . A 82 LEU HB3 . 18518 1 1159 . 1 1 82 82 LEU HG H 1 1.341 0.030 . 1 . . . A 82 LEU HG . 18518 1 1160 . 1 1 82 82 LEU HD11 H 1 0.597 0.030 . 1 . . . A 82 LEU HD11 . 18518 1 1161 . 1 1 82 82 LEU HD12 H 1 0.597 0.030 . 1 . . . A 82 LEU HD12 . 18518 1 1162 . 1 1 82 82 LEU HD13 H 1 0.597 0.030 . 1 . . . A 82 LEU HD13 . 18518 1 1163 . 1 1 82 82 LEU HD21 H 1 0.529 0.030 . 1 . . . A 82 LEU HD21 . 18518 1 1164 . 1 1 82 82 LEU HD22 H 1 0.529 0.030 . 1 . . . A 82 LEU HD22 . 18518 1 1165 . 1 1 82 82 LEU HD23 H 1 0.529 0.030 . 1 . . . A 82 LEU HD23 . 18518 1 1166 . 1 1 82 82 LEU C C 13 177.166 0.030 . 1 . . . A 82 LEU C . 18518 1 1167 . 1 1 82 82 LEU CA C 13 54.197 0.030 . 1 . . . A 82 LEU CA . 18518 1 1168 . 1 1 82 82 LEU CB C 13 43.442 0.030 . 1 . . . A 82 LEU CB . 18518 1 1169 . 1 1 82 82 LEU CG C 13 28.053 0.030 . 1 . . . A 82 LEU CG . 18518 1 1170 . 1 1 82 82 LEU CD1 C 13 24.955 0.030 . 2 . . . A 82 LEU CD1 . 18518 1 1171 . 1 1 82 82 LEU CD2 C 13 24.718 0.030 . 2 . . . A 82 LEU CD2 . 18518 1 1172 . 1 1 82 82 LEU N N 15 125.155 0.030 . 1 . . . A 82 LEU N . 18518 1 1173 . 1 1 83 83 VAL H H 1 8.721 0.030 . 1 . . . A 83 VAL H . 18518 1 1174 . 1 1 83 83 VAL HA H 1 4.379 0.030 . 1 . . . A 83 VAL HA . 18518 1 1175 . 1 1 83 83 VAL HB H 1 2.046 0.030 . 1 . . . A 83 VAL HB . 18518 1 1176 . 1 1 83 83 VAL HG11 H 1 1.072 0.030 . 1 . . . A 83 VAL HG11 . 18518 1 1177 . 1 1 83 83 VAL HG12 H 1 1.072 0.030 . 1 . . . A 83 VAL HG12 . 18518 1 1178 . 1 1 83 83 VAL HG13 H 1 1.072 0.030 . 1 . . . A 83 VAL HG13 . 18518 1 1179 . 1 1 83 83 VAL HG21 H 1 1.028 0.030 . 1 . . . A 83 VAL HG21 . 18518 1 1180 . 1 1 83 83 VAL HG22 H 1 1.028 0.030 . 1 . . . A 83 VAL HG22 . 18518 1 1181 . 1 1 83 83 VAL HG23 H 1 1.028 0.030 . 1 . . . A 83 VAL HG23 . 18518 1 1182 . 1 1 83 83 VAL C C 13 175.810 0.030 . 1 . . . A 83 VAL C . 18518 1 1183 . 1 1 83 83 VAL CA C 13 61.677 0.030 . 1 . . . A 83 VAL CA . 18518 1 1184 . 1 1 83 83 VAL CB C 13 33.758 0.030 . 1 . . . A 83 VAL CB . 18518 1 1185 . 1 1 83 83 VAL CG1 C 13 22.197 0.030 . 2 . . . A 83 VAL CG1 . 18518 1 1186 . 1 1 83 83 VAL CG2 C 13 22.028 0.030 . 2 . . . A 83 VAL CG2 . 18518 1 1187 . 1 1 83 83 VAL N N 15 123.886 0.030 . 1 . . . A 83 VAL N . 18518 1 1188 . 1 1 84 84 ASN H H 1 9.707 0.030 . 1 . . . A 84 ASN H . 18518 1 1189 . 1 1 84 84 ASN HA H 1 4.396 0.030 . 1 . . . A 84 ASN HA . 18518 1 1190 . 1 1 84 84 ASN HB2 H 1 3.205 0.030 . 2 . . . A 84 ASN HB2 . 18518 1 1191 . 1 1 84 84 ASN HB3 H 1 2.881 0.030 . 2 . . . A 84 ASN HB3 . 18518 1 1192 . 1 1 84 84 ASN HD21 H 1 8.626 0.030 . 2 . . . A 84 ASN HD21 . 18518 1 1193 . 1 1 84 84 ASN HD22 H 1 7.245 0.030 . 2 . . . A 84 ASN HD22 . 18518 1 1194 . 1 1 84 84 ASN C C 13 175.164 0.030 . 1 . . . A 84 ASN C . 18518 1 1195 . 1 1 84 84 ASN CA C 13 54.738 0.030 . 1 . . . A 84 ASN CA . 18518 1 1196 . 1 1 84 84 ASN CB C 13 37.950 0.030 . 1 . . . A 84 ASN CB . 18518 1 1197 . 1 1 84 84 ASN CG C 13 178.541 0.030 . 1 . . . A 84 ASN CG . 18518 1 1198 . 1 1 84 84 ASN N N 15 126.474 0.030 . 1 . . . A 84 ASN N . 18518 1 1199 . 1 1 84 84 ASN ND2 N 15 116.683 0.030 . 1 . . . A 84 ASN ND2 . 18518 1 1200 . 1 1 85 85 GLY H H 1 8.644 0.030 . 1 . . . A 85 GLY H . 18518 1 1201 . 1 1 85 85 GLY HA2 H 1 4.043 0.030 . 1 . . . A 85 GLY HA2 . 18518 1 1202 . 1 1 85 85 GLY HA3 H 1 3.343 0.030 . 2 . . . A 85 GLY HA3 . 18518 1 1203 . 1 1 85 85 GLY C C 13 173.680 0.030 . 1 . . . A 85 GLY C . 18518 1 1204 . 1 1 85 85 GLY CA C 13 45.603 0.030 . 1 . . . A 85 GLY CA . 18518 1 1205 . 1 1 85 85 GLY N N 15 101.296 0.030 . 1 . . . A 85 GLY N . 18518 1 1206 . 1 1 86 86 HIS H H 1 7.918 0.030 . 1 . . . A 86 HIS H . 18518 1 1207 . 1 1 86 86 HIS HA H 1 5.017 0.030 . 1 . . . A 86 HIS HA . 18518 1 1208 . 1 1 86 86 HIS HB2 H 1 3.274 0.030 . 2 . . . A 86 HIS HB2 . 18518 1 1209 . 1 1 86 86 HIS HB3 H 1 3.178 0.030 . 2 . . . A 86 HIS HB3 . 18518 1 1210 . 1 1 86 86 HIS HD2 H 1 7.253 0.030 . 1 . . . A 86 HIS HD2 . 18518 1 1211 . 1 1 86 86 HIS HE1 H 1 8.473 0.030 . 1 . . . A 86 HIS HE1 . 18518 1 1212 . 1 1 86 86 HIS C C 13 173.841 0.030 . 1 . . . A 86 HIS C . 18518 1 1213 . 1 1 86 86 HIS CA C 13 53.796 0.030 . 1 . . . A 86 HIS CA . 18518 1 1214 . 1 1 86 86 HIS CB C 13 31.280 0.030 . 1 . . . A 86 HIS CB . 18518 1 1215 . 1 1 86 86 HIS CD2 C 13 120.900 0.030 . 1 . . . A 86 HIS CD2 . 18518 1 1216 . 1 1 86 86 HIS CE1 C 13 136.443 0.030 . 1 . . . A 86 HIS CE1 . 18518 1 1217 . 1 1 86 86 HIS N N 15 117.238 0.030 . 1 . . . A 86 HIS N . 18518 1 1218 . 1 1 87 87 SER H H 1 8.977 0.030 . 1 . . . A 87 SER H . 18518 1 1219 . 1 1 87 87 SER HA H 1 4.699 0.030 . 1 . . . A 87 SER HA . 18518 1 1220 . 1 1 87 87 SER HB2 H 1 3.867 0.030 . 2 . . . A 87 SER HB2 . 18518 1 1221 . 1 1 87 87 SER HB3 H 1 3.867 0.030 . 2 . . . A 87 SER HB3 . 18518 1 1222 . 1 1 87 87 SER C C 13 175.904 0.030 . 1 . . . A 87 SER C . 18518 1 1223 . 1 1 87 87 SER CA C 13 58.271 0.030 . 1 . . . A 87 SER CA . 18518 1 1224 . 1 1 87 87 SER CB C 13 63.735 0.030 . 1 . . . A 87 SER CB . 18518 1 1225 . 1 1 87 87 SER N N 15 118.179 0.030 . 1 . . . A 87 SER N . 18518 1 1226 . 1 1 88 88 MET H H 1 9.184 0.030 . 1 . . . A 88 MET H . 18518 1 1227 . 1 1 88 88 MET HA H 1 4.830 0.030 . 1 . . . A 88 MET HA . 18518 1 1228 . 1 1 88 88 MET HB2 H 1 2.164 0.030 . 2 . . . A 88 MET HB2 . 18518 1 1229 . 1 1 88 88 MET HB3 H 1 1.979 0.030 . 2 . . . A 88 MET HB3 . 18518 1 1230 . 1 1 88 88 MET HG2 H 1 2.622 0.030 . 2 . . . A 88 MET HG2 . 18518 1 1231 . 1 1 88 88 MET HG3 H 1 2.622 0.030 . 2 . . . A 88 MET HG3 . 18518 1 1232 . 1 1 88 88 MET HE1 H 1 2.137 0.030 . 1 . . . A 88 MET HE1 . 18518 1 1233 . 1 1 88 88 MET HE2 H 1 2.137 0.030 . 1 . . . A 88 MET HE2 . 18518 1 1234 . 1 1 88 88 MET HE3 H 1 2.137 0.030 . 1 . . . A 88 MET HE3 . 18518 1 1235 . 1 1 88 88 MET C C 13 176.419 0.030 . 1 . . . A 88 MET C . 18518 1 1236 . 1 1 88 88 MET CA C 13 54.899 0.030 . 1 . . . A 88 MET CA . 18518 1 1237 . 1 1 88 88 MET CB C 13 33.336 0.030 . 1 . . . A 88 MET CB . 18518 1 1238 . 1 1 88 88 MET CG C 13 32.789 0.030 . 1 . . . A 88 MET CG . 18518 1 1239 . 1 1 88 88 MET CE C 13 18.218 0.030 . 1 . . . A 88 MET CE . 18518 1 1240 . 1 1 88 88 MET N N 15 125.472 0.030 . 1 . . . A 88 MET N . 18518 1 1241 . 1 1 89 89 VAL H H 1 8.233 0.030 . 1 . . . A 89 VAL H . 18518 1 1242 . 1 1 89 89 VAL HA H 1 4.232 0.030 . 1 . . . A 89 VAL HA . 18518 1 1243 . 1 1 89 89 VAL HB H 1 2.270 0.030 . 1 . . . A 89 VAL HB . 18518 1 1244 . 1 1 89 89 VAL HG11 H 1 1.049 0.030 . 1 . . . A 89 VAL HG11 . 18518 1 1245 . 1 1 89 89 VAL HG12 H 1 1.049 0.030 . 1 . . . A 89 VAL HG12 . 18518 1 1246 . 1 1 89 89 VAL HG13 H 1 1.049 0.030 . 1 . . . A 89 VAL HG13 . 18518 1 1247 . 1 1 89 89 VAL HG21 H 1 1.021 0.030 . 1 . . . A 89 VAL HG21 . 18518 1 1248 . 1 1 89 89 VAL HG22 H 1 1.021 0.030 . 1 . . . A 89 VAL HG22 . 18518 1 1249 . 1 1 89 89 VAL HG23 H 1 1.021 0.030 . 1 . . . A 89 VAL HG23 . 18518 1 1250 . 1 1 89 89 VAL C C 13 175.958 0.030 . 1 . . . A 89 VAL C . 18518 1 1251 . 1 1 89 89 VAL CA C 13 63.154 0.030 . 1 . . . A 89 VAL CA . 18518 1 1252 . 1 1 89 89 VAL CB C 13 31.878 0.030 . 1 . . . A 89 VAL CB . 18518 1 1253 . 1 1 89 89 VAL CG1 C 13 21.455 0.030 . 2 . . . A 89 VAL CG1 . 18518 1 1254 . 1 1 89 89 VAL CG2 C 13 19.503 0.030 . 2 . . . A 89 VAL CG2 . 18518 1 1255 . 1 1 89 89 VAL N N 15 120.747 0.030 . 1 . . . A 89 VAL N . 18518 1 1256 . 1 1 90 90 SER H H 1 8.482 0.030 . 1 . . . A 90 SER H . 18518 1 1257 . 1 1 90 90 SER HA H 1 4.590 0.030 . 1 . . . A 90 SER HA . 18518 1 1258 . 1 1 90 90 SER HB2 H 1 3.966 0.030 . 2 . . . A 90 SER HB2 . 18518 1 1259 . 1 1 90 90 SER HB3 H 1 3.930 0.030 . 2 . . . A 90 SER HB3 . 18518 1 1260 . 1 1 90 90 SER C C 13 175.741 0.030 . 1 . . . A 90 SER C . 18518 1 1261 . 1 1 90 90 SER CA C 13 57.717 0.030 . 1 . . . A 90 SER CA . 18518 1 1262 . 1 1 90 90 SER CB C 13 63.223 0.030 . 1 . . . A 90 SER CB . 18518 1 1263 . 1 1 90 90 SER N N 15 117.362 0.030 . 1 . . . A 90 SER N . 18518 1 1264 . 1 1 91 91 VAL H H 1 8.188 0.030 . 1 . . . A 91 VAL H . 18518 1 1265 . 1 1 91 91 VAL HA H 1 4.047 0.030 . 1 . . . A 91 VAL HA . 18518 1 1266 . 1 1 91 91 VAL HB H 1 2.199 0.030 . 1 . . . A 91 VAL HB . 18518 1 1267 . 1 1 91 91 VAL HG11 H 1 1.054 0.030 . 1 . . . A 91 VAL HG11 . 18518 1 1268 . 1 1 91 91 VAL HG12 H 1 1.054 0.030 . 1 . . . A 91 VAL HG12 . 18518 1 1269 . 1 1 91 91 VAL HG13 H 1 1.054 0.030 . 1 . . . A 91 VAL HG13 . 18518 1 1270 . 1 1 91 91 VAL HG21 H 1 1.052 0.030 . 1 . . . A 91 VAL HG21 . 18518 1 1271 . 1 1 91 91 VAL HG22 H 1 1.052 0.030 . 1 . . . A 91 VAL HG22 . 18518 1 1272 . 1 1 91 91 VAL HG23 H 1 1.052 0.030 . 1 . . . A 91 VAL HG23 . 18518 1 1273 . 1 1 91 91 VAL C C 13 176.329 0.030 . 1 . . . A 91 VAL C . 18518 1 1274 . 1 1 91 91 VAL CA C 13 63.492 0.030 . 1 . . . A 91 VAL CA . 18518 1 1275 . 1 1 91 91 VAL CB C 13 32.568 0.030 . 1 . . . A 91 VAL CB . 18518 1 1276 . 1 1 91 91 VAL CG1 C 13 21.322 0.030 . 2 . . . A 91 VAL CG1 . 18518 1 1277 . 1 1 91 91 VAL CG2 C 13 21.246 0.030 . 2 . . . A 91 VAL CG2 . 18518 1 1278 . 1 1 91 91 VAL N N 15 120.466 0.030 . 1 . . . A 91 VAL N . 18518 1 1279 . 1 1 92 92 SER H H 1 8.370 0.030 . 1 . . . A 92 SER H . 18518 1 1280 . 1 1 92 92 SER HA H 1 4.636 0.030 . 1 . . . A 92 SER HA . 18518 1 1281 . 1 1 92 92 SER HB2 H 1 4.004 0.030 . 2 . . . A 92 SER HB2 . 18518 1 1282 . 1 1 92 92 SER HB3 H 1 3.905 0.030 . 2 . . . A 92 SER HB3 . 18518 1 1283 . 1 1 92 92 SER C C 13 174.159 0.030 . 1 . . . A 92 SER C . 18518 1 1284 . 1 1 92 92 SER CA C 13 57.805 0.030 . 1 . . . A 92 SER CA . 18518 1 1285 . 1 1 92 92 SER CB C 13 63.046 0.030 . 1 . . . A 92 SER CB . 18518 1 1286 . 1 1 92 92 SER N N 15 116.398 0.030 . 1 . . . A 92 SER N . 18518 1 1287 . 1 1 93 93 THR H H 1 7.416 0.030 . 1 . . . A 93 THR H . 18518 1 1288 . 1 1 93 93 THR HA H 1 4.484 0.030 . 1 . . . A 93 THR HA . 18518 1 1289 . 1 1 93 93 THR HB H 1 3.864 0.030 . 1 . . . A 93 THR HB . 18518 1 1290 . 1 1 93 93 THR HG21 H 1 1.400 0.030 . 1 . . . A 93 THR HG21 . 18518 1 1291 . 1 1 93 93 THR HG22 H 1 1.400 0.030 . 1 . . . A 93 THR HG22 . 18518 1 1292 . 1 1 93 93 THR HG23 H 1 1.400 0.030 . 1 . . . A 93 THR HG23 . 18518 1 1293 . 1 1 93 93 THR CA C 13 60.884 0.030 . 1 . . . A 93 THR CA . 18518 1 1294 . 1 1 93 93 THR CB C 13 70.609 0.030 . 1 . . . A 93 THR CB . 18518 1 1295 . 1 1 93 93 THR CG2 C 13 22.023 0.030 . 1 . . . A 93 THR CG2 . 18518 1 1296 . 1 1 93 93 THR N N 15 119.211 0.030 . 1 . . . A 93 THR N . 18518 1 1297 . 1 1 94 94 PRO HA H 1 4.440 0.030 . 1 . . . A 94 PRO HA . 18518 1 1298 . 1 1 94 94 PRO HB2 H 1 2.451 0.030 . 2 . . . A 94 PRO HB2 . 18518 1 1299 . 1 1 94 94 PRO HB3 H 1 2.118 0.030 . 2 . . . A 94 PRO HB3 . 18518 1 1300 . 1 1 94 94 PRO HG2 H 1 2.164 0.030 . 2 . . . A 94 PRO HG2 . 18518 1 1301 . 1 1 94 94 PRO HG3 H 1 2.118 0.030 . 2 . . . A 94 PRO HG3 . 18518 1 1302 . 1 1 94 94 PRO HD2 H 1 4.064 0.030 . 2 . . . A 94 PRO HD2 . 18518 1 1303 . 1 1 94 94 PRO HD3 H 1 3.815 0.030 . 2 . . . A 94 PRO HD3 . 18518 1 1304 . 1 1 94 94 PRO C C 13 178.775 0.030 . 1 . . . A 94 PRO C . 18518 1 1305 . 1 1 94 94 PRO CA C 13 62.943 0.030 . 1 . . . A 94 PRO CA . 18518 1 1306 . 1 1 94 94 PRO CB C 13 32.649 0.030 . 1 . . . A 94 PRO CB . 18518 1 1307 . 1 1 94 94 PRO CG C 13 28.031 0.030 . 1 . . . A 94 PRO CG . 18518 1 1308 . 1 1 94 94 PRO CD C 13 51.555 0.030 . 1 . . . A 94 PRO CD . 18518 1 1309 . 1 1 95 95 ILE H H 1 9.305 0.030 . 1 . . . A 95 ILE H . 18518 1 1310 . 1 1 95 95 ILE HA H 1 3.949 0.030 . 1 . . . A 95 ILE HA . 18518 1 1311 . 1 1 95 95 ILE HB H 1 1.761 0.030 . 1 . . . A 95 ILE HB . 18518 1 1312 . 1 1 95 95 ILE HG12 H 1 1.365 0.030 . 2 . . . A 95 ILE HG12 . 18518 1 1313 . 1 1 95 95 ILE HG13 H 1 1.193 0.030 . 2 . . . A 95 ILE HG13 . 18518 1 1314 . 1 1 95 95 ILE HG21 H 1 0.888 0.030 . 1 . . . A 95 ILE HG21 . 18518 1 1315 . 1 1 95 95 ILE HG22 H 1 0.888 0.030 . 1 . . . A 95 ILE HG22 . 18518 1 1316 . 1 1 95 95 ILE HG23 H 1 0.888 0.030 . 1 . . . A 95 ILE HG23 . 18518 1 1317 . 1 1 95 95 ILE HD11 H 1 0.693 0.030 . 1 . . . A 95 ILE HD11 . 18518 1 1318 . 1 1 95 95 ILE HD12 H 1 0.693 0.030 . 1 . . . A 95 ILE HD12 . 18518 1 1319 . 1 1 95 95 ILE HD13 H 1 0.693 0.030 . 1 . . . A 95 ILE HD13 . 18518 1 1320 . 1 1 95 95 ILE C C 13 176.498 0.030 . 1 . . . A 95 ILE C . 18518 1 1321 . 1 1 95 95 ILE CA C 13 63.904 0.030 . 1 . . . A 95 ILE CA . 18518 1 1322 . 1 1 95 95 ILE CB C 13 38.182 0.030 . 1 . . . A 95 ILE CB . 18518 1 1323 . 1 1 95 95 ILE CG1 C 13 29.384 0.030 . 1 . . . A 95 ILE CG1 . 18518 1 1324 . 1 1 95 95 ILE CG2 C 13 18.060 0.030 . 1 . . . A 95 ILE CG2 . 18518 1 1325 . 1 1 95 95 ILE CD1 C 13 14.590 0.030 . 1 . . . A 95 ILE CD1 . 18518 1 1326 . 1 1 95 95 ILE N N 15 124.174 0.030 . 1 . . . A 95 ILE N . 18518 1 1327 . 1 1 96 96 SER H H 1 8.335 0.030 . 1 . . . A 96 SER H . 18518 1 1328 . 1 1 96 96 SER HA H 1 4.029 0.030 . 1 . . . A 96 SER HA . 18518 1 1329 . 1 1 96 96 SER HB2 H 1 3.988 0.030 . 2 . . . A 96 SER HB2 . 18518 1 1330 . 1 1 96 96 SER HB3 H 1 3.988 0.030 . 2 . . . A 96 SER HB3 . 18518 1 1331 . 1 1 96 96 SER C C 13 176.574 0.030 . 1 . . . A 96 SER C . 18518 1 1332 . 1 1 96 96 SER CA C 13 61.356 0.030 . 1 . . . A 96 SER CA . 18518 1 1333 . 1 1 96 96 SER CB C 13 61.723 0.030 . 1 . . . A 96 SER CB . 18518 1 1334 . 1 1 96 96 SER N N 15 116.920 0.030 . 1 . . . A 96 SER N . 18518 1 1335 . 1 1 97 97 GLU H H 1 7.376 0.030 . 1 . . . A 97 GLU H . 18518 1 1336 . 1 1 97 97 GLU HA H 1 4.278 0.030 . 1 . . . A 97 GLU HA . 18518 1 1337 . 1 1 97 97 GLU HB2 H 1 2.131 0.030 . 1 . . . A 97 GLU HB2 . 18518 1 1338 . 1 1 97 97 GLU HB3 H 1 2.131 0.030 . 1 . . . A 97 GLU HB3 . 18518 1 1339 . 1 1 97 97 GLU HG2 H 1 2.362 0.030 . 1 . . . A 97 GLU HG2 . 18518 1 1340 . 1 1 97 97 GLU HG3 H 1 2.268 0.030 . 1 . . . A 97 GLU HG3 . 18518 1 1341 . 1 1 97 97 GLU C C 13 179.716 0.030 . 1 . . . A 97 GLU C . 18518 1 1342 . 1 1 97 97 GLU CA C 13 58.792 0.030 . 1 . . . A 97 GLU CA . 18518 1 1343 . 1 1 97 97 GLU CB C 13 29.562 0.030 . 1 . . . A 97 GLU CB . 18518 1 1344 . 1 1 97 97 GLU CG C 13 36.557 0.030 . 1 . . . A 97 GLU CG . 18518 1 1345 . 1 1 97 97 GLU N N 15 123.255 0.030 . 1 . . . A 97 GLU N . 18518 1 1346 . 1 1 98 98 VAL H H 1 7.387 0.030 . 1 . . . A 98 VAL H . 18518 1 1347 . 1 1 98 98 VAL HA H 1 3.802 0.030 . 1 . . . A 98 VAL HA . 18518 1 1348 . 1 1 98 98 VAL HB H 1 2.180 0.030 . 1 . . . A 98 VAL HB . 18518 1 1349 . 1 1 98 98 VAL HG11 H 1 1.046 0.030 . 1 . . . A 98 VAL HG11 . 18518 1 1350 . 1 1 98 98 VAL HG12 H 1 1.046 0.030 . 1 . . . A 98 VAL HG12 . 18518 1 1351 . 1 1 98 98 VAL HG13 H 1 1.046 0.030 . 1 . . . A 98 VAL HG13 . 18518 1 1352 . 1 1 98 98 VAL HG21 H 1 1.046 0.030 . 1 . . . A 98 VAL HG21 . 18518 1 1353 . 1 1 98 98 VAL HG22 H 1 1.046 0.030 . 1 . . . A 98 VAL HG22 . 18518 1 1354 . 1 1 98 98 VAL HG23 H 1 1.046 0.030 . 1 . . . A 98 VAL HG23 . 18518 1 1355 . 1 1 98 98 VAL C C 13 177.637 0.030 . 1 . . . A 98 VAL C . 18518 1 1356 . 1 1 98 98 VAL CA C 13 65.824 0.030 . 1 . . . A 98 VAL CA . 18518 1 1357 . 1 1 98 98 VAL CB C 13 32.154 0.030 . 1 . . . A 98 VAL CB . 18518 1 1358 . 1 1 98 98 VAL CG1 C 13 22.143 0.030 . 2 . . . A 98 VAL CG1 . 18518 1 1359 . 1 1 98 98 VAL CG2 C 13 22.133 0.030 . 2 . . . A 98 VAL CG2 . 18518 1 1360 . 1 1 98 98 VAL N N 15 121.137 0.030 . 1 . . . A 98 VAL N . 18518 1 1361 . 1 1 99 99 TYR H H 1 9.048 0.030 . 1 . . . A 99 TYR H . 18518 1 1362 . 1 1 99 99 TYR HA H 1 3.990 0.030 . 1 . . . A 99 TYR HA . 18518 1 1363 . 1 1 99 99 TYR HB2 H 1 3.168 0.030 . 2 . . . A 99 TYR HB2 . 18518 1 1364 . 1 1 99 99 TYR HB3 H 1 3.024 0.030 . 2 . . . A 99 TYR HB3 . 18518 1 1365 . 1 1 99 99 TYR HD1 H 1 7.121 0.030 . 3 . . . A 99 TYR HD1 . 18518 1 1366 . 1 1 99 99 TYR HD2 H 1 7.121 0.030 . 3 . . . A 99 TYR HD2 . 18518 1 1367 . 1 1 99 99 TYR HE1 H 1 6.896 0.030 . 3 . . . A 99 TYR HE1 . 18518 1 1368 . 1 1 99 99 TYR HE2 H 1 6.896 0.030 . 3 . . . A 99 TYR HE2 . 18518 1 1369 . 1 1 99 99 TYR C C 13 176.081 0.030 . 1 . . . A 99 TYR C . 18518 1 1370 . 1 1 99 99 TYR CA C 13 62.223 0.030 . 1 . . . A 99 TYR CA . 18518 1 1371 . 1 1 99 99 TYR CB C 13 38.982 0.030 . 1 . . . A 99 TYR CB . 18518 1 1372 . 1 1 99 99 TYR CD2 C 13 133.673 0.030 . 3 . . . A 99 TYR CD2 . 18518 1 1373 . 1 1 99 99 TYR CE2 C 13 117.810 0.030 . 3 . . . A 99 TYR CE2 . 18518 1 1374 . 1 1 99 99 TYR N N 15 118.927 0.030 . 1 . . . A 99 TYR N . 18518 1 1375 . 1 1 100 100 GLU H H 1 7.422 0.030 . 1 . . . A 100 GLU H . 18518 1 1376 . 1 1 100 100 GLU HA H 1 3.846 0.030 . 1 . . . A 100 GLU HA . 18518 1 1377 . 1 1 100 100 GLU HB2 H 1 2.145 0.030 . 1 . . . A 100 GLU HB2 . 18518 1 1378 . 1 1 100 100 GLU HB3 H 1 2.145 0.030 . 1 . . . A 100 GLU HB3 . 18518 1 1379 . 1 1 100 100 GLU HG2 H 1 2.488 0.030 . 1 . . . A 100 GLU HG2 . 18518 1 1380 . 1 1 100 100 GLU HG3 H 1 2.457 0.030 . 1 . . . A 100 GLU HG3 . 18518 1 1381 . 1 1 100 100 GLU C C 13 177.989 0.030 . 1 . . . A 100 GLU C . 18518 1 1382 . 1 1 100 100 GLU CA C 13 59.087 0.030 . 1 . . . A 100 GLU CA . 18518 1 1383 . 1 1 100 100 GLU CB C 13 29.382 0.030 . 1 . . . A 100 GLU CB . 18518 1 1384 . 1 1 100 100 GLU CG C 13 35.688 0.030 . 1 . . . A 100 GLU CG . 18518 1 1385 . 1 1 100 100 GLU N N 15 113.894 0.030 . 1 . . . A 100 GLU N . 18518 1 1386 . 1 1 101 101 SER H H 1 7.424 0.030 . 1 . . . A 101 SER H . 18518 1 1387 . 1 1 101 101 SER HA H 1 4.524 0.030 . 1 . . . A 101 SER HA . 18518 1 1388 . 1 1 101 101 SER HB2 H 1 3.984 0.030 . 2 . . . A 101 SER HB2 . 18518 1 1389 . 1 1 101 101 SER HB3 H 1 3.984 0.030 . 2 . . . A 101 SER HB3 . 18518 1 1390 . 1 1 101 101 SER C C 13 176.628 0.030 . 1 . . . A 101 SER C . 18518 1 1391 . 1 1 101 101 SER CA C 13 60.349 0.030 . 1 . . . A 101 SER CA . 18518 1 1392 . 1 1 101 101 SER CB C 13 64.741 0.030 . 1 . . . A 101 SER CB . 18518 1 1393 . 1 1 101 101 SER N N 15 108.991 0.030 . 1 . . . A 101 SER N . 18518 1 1394 . 1 1 102 102 GLU H H 1 8.487 0.030 . 1 . . . A 102 GLU H . 18518 1 1395 . 1 1 102 102 GLU HA H 1 4.744 0.030 . 1 . . . A 102 GLU HA . 18518 1 1396 . 1 1 102 102 GLU HB2 H 1 2.244 0.030 . 1 . . . A 102 GLU HB2 . 18518 1 1397 . 1 1 102 102 GLU HB3 H 1 1.648 0.030 . 1 . . . A 102 GLU HB3 . 18518 1 1398 . 1 1 102 102 GLU HG2 H 1 2.382 0.030 . 1 . . . A 102 GLU HG2 . 18518 1 1399 . 1 1 102 102 GLU HG3 H 1 2.239 0.030 . 1 . . . A 102 GLU HG3 . 18518 1 1400 . 1 1 102 102 GLU C C 13 176.774 0.030 . 1 . . . A 102 GLU C . 18518 1 1401 . 1 1 102 102 GLU CA C 13 55.581 0.030 . 1 . . . A 102 GLU CA . 18518 1 1402 . 1 1 102 102 GLU CB C 13 30.697 0.030 . 1 . . . A 102 GLU CB . 18518 1 1403 . 1 1 102 102 GLU CG C 13 35.095 0.030 . 1 . . . A 102 GLU CG . 18518 1 1404 . 1 1 102 102 GLU N N 15 116.533 0.030 . 1 . . . A 102 GLU N . 18518 1 1405 . 1 1 103 103 LYS H H 1 7.831 0.030 . 1 . . . A 103 LYS H . 18518 1 1406 . 1 1 103 103 LYS HA H 1 4.178 0.030 . 1 . . . A 103 LYS HA . 18518 1 1407 . 1 1 103 103 LYS HB2 H 1 1.444 0.030 . 1 . . . A 103 LYS HB2 . 18518 1 1408 . 1 1 103 103 LYS HB3 H 1 1.305 0.030 . 1 . . . A 103 LYS HB3 . 18518 1 1409 . 1 1 103 103 LYS HG2 H 1 1.145 0.030 . 1 . . . A 103 LYS HG2 . 18518 1 1410 . 1 1 103 103 LYS HG3 H 1 1.040 0.030 . 1 . . . A 103 LYS HG3 . 18518 1 1411 . 1 1 103 103 LYS HD2 H 1 1.127 0.030 . 1 . . . A 103 LYS HD2 . 18518 1 1412 . 1 1 103 103 LYS HD3 H 1 0.596 0.030 . 1 . . . A 103 LYS HD3 . 18518 1 1413 . 1 1 103 103 LYS HE2 H 1 2.753 0.030 . 1 . . . A 103 LYS HE2 . 18518 1 1414 . 1 1 103 103 LYS HE3 H 1 2.696 0.030 . 1 . . . A 103 LYS HE3 . 18518 1 1415 . 1 1 103 103 LYS C C 13 175.018 0.030 . 1 . . . A 103 LYS C . 18518 1 1416 . 1 1 103 103 LYS CA C 13 57.329 0.030 . 1 . . . A 103 LYS CA . 18518 1 1417 . 1 1 103 103 LYS CB C 13 32.186 0.030 . 1 . . . A 103 LYS CB . 18518 1 1418 . 1 1 103 103 LYS CG C 13 22.656 0.030 . 1 . . . A 103 LYS CG . 18518 1 1419 . 1 1 103 103 LYS CD C 13 29.152 0.030 . 1 . . . A 103 LYS CD . 18518 1 1420 . 1 1 103 103 LYS CE C 13 42.314 0.030 . 1 . . . A 103 LYS CE . 18518 1 1421 . 1 1 103 103 LYS N N 15 118.370 0.030 . 1 . . . A 103 LYS N . 18518 1 1422 . 1 1 104 104 ASP H H 1 9.041 0.030 . 1 . . . A 104 ASP H . 18518 1 1423 . 1 1 104 104 ASP HA H 1 4.755 0.030 . 1 . . . A 104 ASP HA . 18518 1 1424 . 1 1 104 104 ASP HB2 H 1 3.910 0.030 . 1 . . . A 104 ASP HB2 . 18518 1 1425 . 1 1 104 104 ASP HB3 H 1 3.232 0.030 . 1 . . . A 104 ASP HB3 . 18518 1 1426 . 1 1 104 104 ASP C C 13 177.383 0.030 . 1 . . . A 104 ASP C . 18518 1 1427 . 1 1 104 104 ASP CA C 13 53.846 0.030 . 1 . . . A 104 ASP CA . 18518 1 1428 . 1 1 104 104 ASP CB C 13 43.411 0.030 . 1 . . . A 104 ASP CB . 18518 1 1429 . 1 1 104 104 ASP N N 15 123.500 0.030 . 1 . . . A 104 ASP N . 18518 1 1430 . 1 1 105 105 GLU H H 1 8.906 0.030 . 1 . . . A 105 GLU H . 18518 1 1431 . 1 1 105 105 GLU HA H 1 4.180 0.030 . 1 . . . A 105 GLU HA . 18518 1 1432 . 1 1 105 105 GLU HB2 H 1 2.217 0.030 . 1 . . . A 105 GLU HB2 . 18518 1 1433 . 1 1 105 105 GLU HB3 H 1 2.217 0.030 . 1 . . . A 105 GLU HB3 . 18518 1 1434 . 1 1 105 105 GLU HG2 H 1 2.505 0.030 . 1 . . . A 105 GLU HG2 . 18518 1 1435 . 1 1 105 105 GLU HG3 H 1 2.505 0.030 . 1 . . . A 105 GLU HG3 . 18518 1 1436 . 1 1 105 105 GLU C C 13 177.519 0.030 . 1 . . . A 105 GLU C . 18518 1 1437 . 1 1 105 105 GLU CA C 13 59.529 0.030 . 1 . . . A 105 GLU CA . 18518 1 1438 . 1 1 105 105 GLU CB C 13 30.044 0.030 . 1 . . . A 105 GLU CB . 18518 1 1439 . 1 1 105 105 GLU CG C 13 36.645 0.030 . 1 . . . A 105 GLU CG . 18518 1 1440 . 1 1 105 105 GLU N N 15 125.448 0.030 . 1 . . . A 105 GLU N . 18518 1 1441 . 1 1 106 106 ASP H H 1 10.036 0.030 . 1 . . . A 106 ASP H . 18518 1 1442 . 1 1 106 106 ASP HA H 1 4.179 0.030 . 1 . . . A 106 ASP HA . 18518 1 1443 . 1 1 106 106 ASP HB2 H 1 2.853 0.030 . 1 . . . A 106 ASP HB2 . 18518 1 1444 . 1 1 106 106 ASP HB3 H 1 2.671 0.030 . 1 . . . A 106 ASP HB3 . 18518 1 1445 . 1 1 106 106 ASP C C 13 176.223 0.030 . 1 . . . A 106 ASP C . 18518 1 1446 . 1 1 106 106 ASP CA C 13 54.756 0.030 . 1 . . . A 106 ASP CA . 18518 1 1447 . 1 1 106 106 ASP CB C 13 39.999 0.030 . 1 . . . A 106 ASP CB . 18518 1 1448 . 1 1 106 106 ASP N N 15 118.824 0.030 . 1 . . . A 106 ASP N . 18518 1 1449 . 1 1 107 107 GLY H H 1 8.001 0.030 . 1 . . . A 107 GLY H . 18518 1 1450 . 1 1 107 107 GLY HA2 H 1 4.470 0.030 . 1 . . . A 107 GLY HA2 . 18518 1 1451 . 1 1 107 107 GLY HA3 H 1 3.412 0.030 . 2 . . . A 107 GLY HA3 . 18518 1 1452 . 1 1 107 107 GLY C C 13 175.136 0.030 . 1 . . . A 107 GLY C . 18518 1 1453 . 1 1 107 107 GLY CA C 13 45.222 0.030 . 1 . . . A 107 GLY CA . 18518 1 1454 . 1 1 107 107 GLY N N 15 105.866 0.030 . 1 . . . A 107 GLY N . 18518 1 1455 . 1 1 108 108 PHE H H 1 9.912 0.030 . 1 . . . A 108 PHE H . 18518 1 1456 . 1 1 108 108 PHE HA H 1 4.662 0.030 . 1 . . . A 108 PHE HA . 18518 1 1457 . 1 1 108 108 PHE HB2 H 1 3.612 0.030 . 2 . . . A 108 PHE HB2 . 18518 1 1458 . 1 1 108 108 PHE HB3 H 1 2.100 0.030 . 2 . . . A 108 PHE HB3 . 18518 1 1459 . 1 1 108 108 PHE HD1 H 1 7.176 0.030 . 3 . . . A 108 PHE HD1 . 18518 1 1460 . 1 1 108 108 PHE HD2 H 1 7.176 0.030 . 3 . . . A 108 PHE HD2 . 18518 1 1461 . 1 1 108 108 PHE HE1 H 1 7.270 0.030 . 3 . . . A 108 PHE HE1 . 18518 1 1462 . 1 1 108 108 PHE HE2 H 1 7.270 0.030 . 3 . . . A 108 PHE HE2 . 18518 1 1463 . 1 1 108 108 PHE HZ H 1 6.781 0.030 . 1 . . . A 108 PHE HZ . 18518 1 1464 . 1 1 108 108 PHE C C 13 174.899 0.030 . 1 . . . A 108 PHE C . 18518 1 1465 . 1 1 108 108 PHE CA C 13 60.238 0.030 . 1 . . . A 108 PHE CA . 18518 1 1466 . 1 1 108 108 PHE CB C 13 40.365 0.030 . 1 . . . A 108 PHE CB . 18518 1 1467 . 1 1 108 108 PHE CD1 C 13 132.397 0.030 . 3 . . . A 108 PHE CD1 . 18518 1 1468 . 1 1 108 108 PHE CE1 C 13 129.552 0.030 . 3 . . . A 108 PHE CE1 . 18518 1 1469 . 1 1 108 108 PHE CZ C 13 130.332 0.030 . 1 . . . A 108 PHE CZ . 18518 1 1470 . 1 1 108 108 PHE N N 15 123.820 0.030 . 1 . . . A 108 PHE N . 18518 1 1471 . 1 1 109 109 LEU H H 1 7.997 0.030 . 1 . . . A 109 LEU H . 18518 1 1472 . 1 1 109 109 LEU HA H 1 5.030 0.030 . 1 . . . A 109 LEU HA . 18518 1 1473 . 1 1 109 109 LEU HB2 H 1 2.263 0.030 . 2 . . . A 109 LEU HB2 . 18518 1 1474 . 1 1 109 109 LEU HB3 H 1 1.480 0.030 . 2 . . . A 109 LEU HB3 . 18518 1 1475 . 1 1 109 109 LEU HG H 1 1.507 0.030 . 1 . . . A 109 LEU HG . 18518 1 1476 . 1 1 109 109 LEU HD11 H 1 0.849 0.030 . 1 . . . A 109 LEU HD11 . 18518 1 1477 . 1 1 109 109 LEU HD12 H 1 0.849 0.030 . 1 . . . A 109 LEU HD12 . 18518 1 1478 . 1 1 109 109 LEU HD13 H 1 0.849 0.030 . 1 . . . A 109 LEU HD13 . 18518 1 1479 . 1 1 109 109 LEU HD21 H 1 0.975 0.030 . 1 . . . A 109 LEU HD21 . 18518 1 1480 . 1 1 109 109 LEU HD22 H 1 0.975 0.030 . 1 . . . A 109 LEU HD22 . 18518 1 1481 . 1 1 109 109 LEU HD23 H 1 0.975 0.030 . 1 . . . A 109 LEU HD23 . 18518 1 1482 . 1 1 109 109 LEU C C 13 173.916 0.030 . 1 . . . A 109 LEU C . 18518 1 1483 . 1 1 109 109 LEU CA C 13 53.424 0.030 . 1 . . . A 109 LEU CA . 18518 1 1484 . 1 1 109 109 LEU CB C 13 45.203 0.030 . 1 . . . A 109 LEU CB . 18518 1 1485 . 1 1 109 109 LEU CG C 13 27.423 0.030 . 1 . . . A 109 LEU CG . 18518 1 1486 . 1 1 109 109 LEU CD1 C 13 26.746 0.030 . 2 . . . A 109 LEU CD1 . 18518 1 1487 . 1 1 109 109 LEU CD2 C 13 24.490 0.030 . 2 . . . A 109 LEU CD2 . 18518 1 1488 . 1 1 109 109 LEU N N 15 120.130 0.030 . 1 . . . A 109 LEU N . 18518 1 1489 . 1 1 110 110 TYR H H 1 9.377 0.030 . 1 . . . A 110 TYR H . 18518 1 1490 . 1 1 110 110 TYR HA H 1 5.003 0.030 . 1 . . . A 110 TYR HA . 18518 1 1491 . 1 1 110 110 TYR HB2 H 1 3.106 0.030 . 2 . . . A 110 TYR HB2 . 18518 1 1492 . 1 1 110 110 TYR HB3 H 1 2.943 0.030 . 2 . . . A 110 TYR HB3 . 18518 1 1493 . 1 1 110 110 TYR HD1 H 1 7.359 0.030 . 3 . . . A 110 TYR HD1 . 18518 1 1494 . 1 1 110 110 TYR HD2 H 1 7.359 0.030 . 3 . . . A 110 TYR HD2 . 18518 1 1495 . 1 1 110 110 TYR HE1 H 1 7.339 0.030 . 3 . . . A 110 TYR HE1 . 18518 1 1496 . 1 1 110 110 TYR HE2 H 1 7.339 0.030 . 3 . . . A 110 TYR HE2 . 18518 1 1497 . 1 1 110 110 TYR C C 13 176.671 0.030 . 1 . . . A 110 TYR C . 18518 1 1498 . 1 1 110 110 TYR CA C 13 59.058 0.030 . 1 . . . A 110 TYR CA . 18518 1 1499 . 1 1 110 110 TYR CB C 13 39.556 0.030 . 1 . . . A 110 TYR CB . 18518 1 1500 . 1 1 110 110 TYR CD2 C 13 132.715 0.030 . 3 . . . A 110 TYR CD2 . 18518 1 1501 . 1 1 110 110 TYR CE2 C 13 118.833 0.030 . 3 . . . A 110 TYR CE2 . 18518 1 1502 . 1 1 110 110 TYR N N 15 126.579 0.030 . 1 . . . A 110 TYR N . 18518 1 1503 . 1 1 111 111 MET H H 1 9.658 0.030 . 1 . . . A 111 MET H . 18518 1 1504 . 1 1 111 111 MET HA H 1 5.486 0.030 . 1 . . . A 111 MET HA . 18518 1 1505 . 1 1 111 111 MET HB2 H 1 1.940 0.030 . 2 . . . A 111 MET HB2 . 18518 1 1506 . 1 1 111 111 MET HB3 H 1 1.940 0.030 . 2 . . . A 111 MET HB3 . 18518 1 1507 . 1 1 111 111 MET HG2 H 1 2.434 0.030 . 2 . . . A 111 MET HG2 . 18518 1 1508 . 1 1 111 111 MET HG3 H 1 2.434 0.030 . 2 . . . A 111 MET HG3 . 18518 1 1509 . 1 1 111 111 MET HE1 H 1 1.823 0.030 . 1 . . . A 111 MET HE1 . 18518 1 1510 . 1 1 111 111 MET HE2 H 1 1.823 0.030 . 1 . . . A 111 MET HE2 . 18518 1 1511 . 1 1 111 111 MET HE3 H 1 1.823 0.030 . 1 . . . A 111 MET HE3 . 18518 1 1512 . 1 1 111 111 MET C C 13 175.695 0.030 . 1 . . . A 111 MET C . 18518 1 1513 . 1 1 111 111 MET CA C 13 54.124 0.030 . 1 . . . A 111 MET CA . 18518 1 1514 . 1 1 111 111 MET CB C 13 36.960 0.030 . 1 . . . A 111 MET CB . 18518 1 1515 . 1 1 111 111 MET CG C 13 33.582 0.030 . 1 . . . A 111 MET CG . 18518 1 1516 . 1 1 111 111 MET CE C 13 19.039 0.030 . 1 . . . A 111 MET CE . 18518 1 1517 . 1 1 111 111 MET N N 15 119.240 0.030 . 1 . . . A 111 MET N . 18518 1 1518 . 1 1 112 112 VAL H H 1 8.794 0.030 . 1 . . . A 112 VAL H . 18518 1 1519 . 1 1 112 112 VAL HA H 1 5.963 0.030 . 1 . . . A 112 VAL HA . 18518 1 1520 . 1 1 112 112 VAL HB H 1 1.946 0.030 . 1 . . . A 112 VAL HB . 18518 1 1521 . 1 1 112 112 VAL HG11 H 1 1.026 0.030 . 1 . . . A 112 VAL HG11 . 18518 1 1522 . 1 1 112 112 VAL HG12 H 1 1.026 0.030 . 1 . . . A 112 VAL HG12 . 18518 1 1523 . 1 1 112 112 VAL HG13 H 1 1.026 0.030 . 1 . . . A 112 VAL HG13 . 18518 1 1524 . 1 1 112 112 VAL HG21 H 1 1.005 0.030 . 1 . . . A 112 VAL HG21 . 18518 1 1525 . 1 1 112 112 VAL HG22 H 1 1.005 0.030 . 1 . . . A 112 VAL HG22 . 18518 1 1526 . 1 1 112 112 VAL HG23 H 1 1.005 0.030 . 1 . . . A 112 VAL HG23 . 18518 1 1527 . 1 1 112 112 VAL C C 13 175.058 0.030 . 1 . . . A 112 VAL C . 18518 1 1528 . 1 1 112 112 VAL CA C 13 58.911 0.030 . 1 . . . A 112 VAL CA . 18518 1 1529 . 1 1 112 112 VAL CB C 13 36.051 0.030 . 1 . . . A 112 VAL CB . 18518 1 1530 . 1 1 112 112 VAL CG1 C 13 21.825 0.030 . 2 . . . A 112 VAL CG1 . 18518 1 1531 . 1 1 112 112 VAL CG2 C 13 20.964 0.030 . 2 . . . A 112 VAL CG2 . 18518 1 1532 . 1 1 112 112 VAL N N 15 119.865 0.030 . 1 . . . A 112 VAL N . 18518 1 1533 . 1 1 113 113 TYR H H 1 8.315 0.030 . 1 . . . A 113 TYR H . 18518 1 1534 . 1 1 113 113 TYR HA H 1 6.118 0.030 . 1 . . . A 113 TYR HA . 18518 1 1535 . 1 1 113 113 TYR HB2 H 1 2.724 0.030 . 2 . . . A 113 TYR HB2 . 18518 1 1536 . 1 1 113 113 TYR HB3 H 1 2.427 0.030 . 2 . . . A 113 TYR HB3 . 18518 1 1537 . 1 1 113 113 TYR HD1 H 1 6.868 0.030 . 3 . . . A 113 TYR HD1 . 18518 1 1538 . 1 1 113 113 TYR HD2 H 1 6.868 0.030 . 3 . . . A 113 TYR HD2 . 18518 1 1539 . 1 1 113 113 TYR HE1 H 1 6.746 0.030 . 3 . . . A 113 TYR HE1 . 18518 1 1540 . 1 1 113 113 TYR HE2 H 1 6.746 0.030 . 3 . . . A 113 TYR HE2 . 18518 1 1541 . 1 1 113 113 TYR C C 13 173.375 0.030 . 1 . . . A 113 TYR C . 18518 1 1542 . 1 1 113 113 TYR CA C 13 54.153 0.030 . 1 . . . A 113 TYR CA . 18518 1 1543 . 1 1 113 113 TYR CB C 13 43.312 0.030 . 1 . . . A 113 TYR CB . 18518 1 1544 . 1 1 113 113 TYR CD1 C 13 133.570 0.030 . 3 . . . A 113 TYR CD1 . 18518 1 1545 . 1 1 113 113 TYR CE1 C 13 116.976 0.030 . 3 . . . A 113 TYR CE1 . 18518 1 1546 . 1 1 113 113 TYR N N 15 119.664 0.030 . 1 . . . A 113 TYR N . 18518 1 1547 . 1 1 114 114 ALA H H 1 8.465 0.030 . 1 . . . A 114 ALA H . 18518 1 1548 . 1 1 114 114 ALA HA H 1 4.800 0.030 . 1 . . . A 114 ALA HA . 18518 1 1549 . 1 1 114 114 ALA HB1 H 1 1.574 0.030 . 1 . . . A 114 ALA HB1 . 18518 1 1550 . 1 1 114 114 ALA HB2 H 1 1.574 0.030 . 1 . . . A 114 ALA HB2 . 18518 1 1551 . 1 1 114 114 ALA HB3 H 1 1.574 0.030 . 1 . . . A 114 ALA HB3 . 18518 1 1552 . 1 1 114 114 ALA C C 13 176.216 0.030 . 1 . . . A 114 ALA C . 18518 1 1553 . 1 1 114 114 ALA CA C 13 51.132 0.030 . 1 . . . A 114 ALA CA . 18518 1 1554 . 1 1 114 114 ALA CB C 13 24.596 0.030 . 1 . . . A 114 ALA CB . 18518 1 1555 . 1 1 114 114 ALA N N 15 119.763 0.030 . 1 . . . A 114 ALA N . 18518 1 1556 . 1 1 115 115 SER H H 1 9.915 0.030 . 1 . . . A 115 SER H . 18518 1 1557 . 1 1 115 115 SER HA H 1 4.496 0.030 . 1 . . . A 115 SER HA . 18518 1 1558 . 1 1 115 115 SER HB2 H 1 4.331 0.030 . 2 . . . A 115 SER HB2 . 18518 1 1559 . 1 1 115 115 SER HB3 H 1 3.889 0.030 . 2 . . . A 115 SER HB3 . 18518 1 1560 . 1 1 115 115 SER C C 13 172.671 0.030 . 1 . . . A 115 SER C . 18518 1 1561 . 1 1 115 115 SER CA C 13 58.651 0.030 . 1 . . . A 115 SER CA . 18518 1 1562 . 1 1 115 115 SER CB C 13 63.526 0.030 . 1 . . . A 115 SER CB . 18518 1 1563 . 1 1 115 115 SER N N 15 114.763 0.030 . 1 . . . A 115 SER N . 18518 1 1564 . 1 1 116 116 GLN H H 1 7.219 0.030 . 1 . . . A 116 GLN H . 18518 1 1565 . 1 1 116 116 GLN HA H 1 4.484 0.030 . 1 . . . A 116 GLN HA . 18518 1 1566 . 1 1 116 116 GLN HB2 H 1 1.969 0.030 . 2 . . . A 116 GLN HB2 . 18518 1 1567 . 1 1 116 116 GLN HB3 H 1 1.785 0.030 . 2 . . . A 116 GLN HB3 . 18518 1 1568 . 1 1 116 116 GLN HG2 H 1 2.036 0.030 . 2 . . . A 116 GLN HG2 . 18518 1 1569 . 1 1 116 116 GLN HG3 H 1 2.036 0.030 . 2 . . . A 116 GLN HG3 . 18518 1 1570 . 1 1 116 116 GLN HE21 H 1 7.647 0.030 . 2 . . . A 116 GLN HE21 . 18518 1 1571 . 1 1 116 116 GLN HE22 H 1 6.953 0.030 . 2 . . . A 116 GLN HE22 . 18518 1 1572 . 1 1 116 116 GLN C C 13 172.733 0.030 . 1 . . . A 116 GLN C . 18518 1 1573 . 1 1 116 116 GLN CA C 13 53.926 0.030 . 1 . . . A 116 GLN CA . 18518 1 1574 . 1 1 116 116 GLN CB C 13 32.358 0.030 . 1 . . . A 116 GLN CB . 18518 1 1575 . 1 1 116 116 GLN CG C 13 33.364 0.030 . 1 . . . A 116 GLN CG . 18518 1 1576 . 1 1 116 116 GLN CD C 13 180.772 0.030 . 1 . . . A 116 GLN CD . 18518 1 1577 . 1 1 116 116 GLN N N 15 116.611 0.030 . 1 . . . A 116 GLN N . 18518 1 1578 . 1 1 116 116 GLN NE2 N 15 113.252 0.030 . 1 . . . A 116 GLN NE2 . 18518 1 1579 . 1 1 117 117 GLU H H 1 7.882 0.030 . 1 . . . A 117 GLU H . 18518 1 1580 . 1 1 117 117 GLU HA H 1 3.287 0.030 . 1 . . . A 117 GLU HA . 18518 1 1581 . 1 1 117 117 GLU HB2 H 1 1.228 0.030 . 1 . . . A 117 GLU HB2 . 18518 1 1582 . 1 1 117 117 GLU HB3 H 1 1.118 0.030 . 1 . . . A 117 GLU HB3 . 18518 1 1583 . 1 1 117 117 GLU HG2 H 1 1.621 0.030 . 1 . . . A 117 GLU HG2 . 18518 1 1584 . 1 1 117 117 GLU HG3 H 1 1.456 0.030 . 1 . . . A 117 GLU HG3 . 18518 1 1585 . 1 1 117 117 GLU C C 13 175.168 0.030 . 1 . . . A 117 GLU C . 18518 1 1586 . 1 1 117 117 GLU CA C 13 56.882 0.030 . 1 . . . A 117 GLU CA . 18518 1 1587 . 1 1 117 117 GLU CB C 13 30.522 0.030 . 1 . . . A 117 GLU CB . 18518 1 1588 . 1 1 117 117 GLU CG C 13 36.442 0.030 . 1 . . . A 117 GLU CG . 18518 1 1589 . 1 1 117 117 GLU N N 15 117.623 0.030 . 1 . . . A 117 GLU N . 18518 1 1590 . 1 1 118 118 THR H H 1 6.992 0.030 . 1 . . . A 118 THR H . 18518 1 1591 . 1 1 118 118 THR HA H 1 4.066 0.030 . 1 . . . A 118 THR HA . 18518 1 1592 . 1 1 118 118 THR HB H 1 3.923 0.030 . 1 . . . A 118 THR HB . 18518 1 1593 . 1 1 118 118 THR HG21 H 1 0.929 0.030 . 1 . . . A 118 THR HG21 . 18518 1 1594 . 1 1 118 118 THR HG22 H 1 0.929 0.030 . 1 . . . A 118 THR HG22 . 18518 1 1595 . 1 1 118 118 THR HG23 H 1 0.929 0.030 . 1 . . . A 118 THR HG23 . 18518 1 1596 . 1 1 118 118 THR C C 13 172.355 0.030 . 1 . . . A 118 THR C . 18518 1 1597 . 1 1 118 118 THR CA C 13 60.029 0.030 . 1 . . . A 118 THR CA . 18518 1 1598 . 1 1 118 118 THR CB C 13 70.480 0.030 . 1 . . . A 118 THR CB . 18518 1 1599 . 1 1 118 118 THR CG2 C 13 21.105 0.030 . 1 . . . A 118 THR CG2 . 18518 1 1600 . 1 1 118 118 THR N N 15 109.820 0.030 . 1 . . . A 118 THR N . 18518 1 1601 . 1 1 119 119 PHE H H 1 7.787 0.030 . 1 . . . A 119 PHE H . 18518 1 1602 . 1 1 119 119 PHE HA H 1 4.259 0.030 . 1 . . . A 119 PHE HA . 18518 1 1603 . 1 1 119 119 PHE HB2 H 1 2.999 0.030 . 2 . . . A 119 PHE HB2 . 18518 1 1604 . 1 1 119 119 PHE HB3 H 1 2.663 0.030 . 2 . . . A 119 PHE HB3 . 18518 1 1605 . 1 1 119 119 PHE HD1 H 1 6.740 0.030 . 3 . . . A 119 PHE HD1 . 18518 1 1606 . 1 1 119 119 PHE HD2 H 1 6.740 0.030 . 3 . . . A 119 PHE HD2 . 18518 1 1607 . 1 1 119 119 PHE HE1 H 1 6.781 0.030 . 3 . . . A 119 PHE HE1 . 18518 1 1608 . 1 1 119 119 PHE HE2 H 1 6.781 0.030 . 3 . . . A 119 PHE HE2 . 18518 1 1609 . 1 1 119 119 PHE HZ H 1 6.765 0.030 . 1 . . . A 119 PHE HZ . 18518 1 1610 . 1 1 119 119 PHE CA C 13 58.551 0.030 . 1 . . . A 119 PHE CA . 18518 1 1611 . 1 1 119 119 PHE CB C 13 40.240 0.030 . 1 . . . A 119 PHE CB . 18518 1 1612 . 1 1 119 119 PHE CD2 C 13 131.492 0.030 . 3 . . . A 119 PHE CD2 . 18518 1 1613 . 1 1 119 119 PHE CE2 C 13 130.332 0.030 . 3 . . . A 119 PHE CE2 . 18518 1 1614 . 1 1 119 119 PHE CZ C 13 128.498 0.030 . 1 . . . A 119 PHE CZ . 18518 1 1615 . 1 1 119 119 PHE N N 15 126.786 0.030 . 1 . . . A 119 PHE N . 18518 1 1616 . 2 2 1 1 ASN H H 1 8.085 0.030 . 1 . . . . 201 ASN HN . 18518 1 1617 . 2 2 1 1 ASN HA H 1 4.305 0.030 . 1 . . . . 201 ASN HA . 18518 1 1618 . 2 2 1 1 ASN HB2 H 1 3.119 0.030 . 2 . . . . 201 ASN HB2 . 18518 1 1619 . 2 2 1 1 ASN HB3 H 1 3.025 0.030 . 2 . . . . 201 ASN HB3 . 18518 1 1620 . 2 2 1 1 ASN HD21 H 1 7.155 0.030 . 2 . . . . 201 ASN HD21 . 18518 1 1621 . 2 2 1 1 ASN HD22 H 1 7.155 0.030 . 2 . . . . 201 ASN HD22 . 18518 1 1622 . 2 2 2 2 SEP HA H 1 4.545 0.030 . 1 . . . . 202 SEP HA . 18518 1 1623 . 2 2 2 2 SEP HB2 H 1 4.126 0.030 . 1 . . . . 202 SEP HB2 . 18518 1 1624 . 2 2 2 2 SEP HB3 H 1 4.090 0.030 . 1 . . . . 202 SEP HB3 . 18518 1 1625 . 2 2 2 2 SEP H H 1 7.178 0.030 . 1 . . . . 202 SEP HN . 18518 1 1626 . 2 2 3 3 SEP HA H 1 4.300 0.030 . 1 . . . . 203 SEP HA . 18518 1 1627 . 2 2 3 3 SEP HB2 H 1 4.085 0.030 . 1 . . . . 203 SEP HB2 . 18518 1 1628 . 2 2 3 3 SEP HB3 H 1 4.026 0.030 . 1 . . . . 203 SEP HB3 . 18518 1 1629 . 2 2 3 3 SEP H H 1 8.579 0.030 . 1 . . . . 203 SEP HN . 18518 1 1630 . 2 2 4 4 GLY H H 1 9.089 0.030 . 1 . . . . 204 GLY HN . 18518 1 1631 . 2 2 4 4 GLY HA2 H 1 4.640 0.030 . 1 . . . . 204 GLY HA2 . 18518 1 1632 . 2 2 4 4 GLY HA3 H 1 4.525 0.030 . 2 . . . . 204 GLY HA3 . 18518 1 1633 . 2 2 5 5 SEP HA H 1 4.640 0.030 . 1 . . . . 205 SEP HA . 18518 1 1634 . 2 2 5 5 SEP HB2 H 1 4.140 0.030 . 1 . . . . 205 SEP HB2 . 18518 1 1635 . 2 2 5 5 SEP HB3 H 1 4.100 0.030 . 1 . . . . 205 SEP HB3 . 18518 1 1636 . 2 2 5 5 SEP H H 1 8.826 0.030 . 1 . . . . 205 SEP HN . 18518 1 1637 . 2 2 6 6 SEP HA H 1 4.560 0.030 . 1 . . . . 206 SEP HA . 18518 1 1638 . 2 2 6 6 SEP HB2 H 1 4.130 0.030 . 1 . . . . 206 SEP HB2 . 18518 1 1639 . 2 2 6 6 SEP HB3 H 1 4.100 0.030 . 1 . . . . 206 SEP HB3 . 18518 1 1640 . 2 2 6 6 SEP H H 1 8.297 0.030 . 1 . . . . 206 SEP HN . 18518 1 1641 . 2 2 7 7 GLU H H 1 8.923 0.030 . 1 . . . . 207 GLU HN . 18518 1 1642 . 2 2 7 7 GLU HA H 1 4.630 0.030 . 1 . . . . 207 GLU HA . 18518 1 1643 . 2 2 7 7 GLU HB2 H 1 1.965 0.030 . 1 . . . . 207 GLU HB2 . 18518 1 1644 . 2 2 7 7 GLU HB3 H 1 2.082 0.030 . 1 . . . . 207 GLU HB3 . 18518 1 1645 . 2 2 7 7 GLU HG2 H 1 2.177 0.030 . 1 . . . . 207 GLU HG2 . 18518 1 1646 . 2 2 7 7 GLU HG3 H 1 2.289 0.030 . 1 . . . . 207 GLU HG3 . 18518 1 1647 . 2 2 8 8 ASP H H 1 8.855 0.030 . 1 . . . . 208 ASP HN . 18518 1 1648 . 2 2 8 8 ASP HA H 1 4.630 0.030 . 1 . . . . 208 ASP HA . 18518 1 1649 . 2 2 8 8 ASP HB2 H 1 2.698 0.030 . 1 . . . . 208 ASP HB2 . 18518 1 1650 . 2 2 8 8 ASP HB3 H 1 2.557 0.030 . 1 . . . . 208 ASP HB3 . 18518 1 1651 . 2 2 9 9 SEP HA H 1 4.550 0.030 . 1 . . . . 209 SEP HA . 18518 1 1652 . 2 2 9 9 SEP HB2 H 1 4.135 0.030 . 1 . . . . 209 SEP HB2 . 18518 1 1653 . 2 2 9 9 SEP HB3 H 1 4.100 0.030 . 1 . . . . 209 SEP HB3 . 18518 1 1654 . 2 2 9 9 SEP H H 1 8.926 0.030 . 1 . . . . 209 SEP HN . 18518 1 1655 . 2 2 10 10 PHE H H 1 8.730 0.030 . 1 . . . . 210 PHE HN . 18518 1 1656 . 2 2 10 10 PHE HA H 1 4.042 0.030 . 1 . . . . 210 PHE HA . 18518 1 1657 . 2 2 10 10 PHE HB2 H 1 2.948 0.030 . 2 . . . . 210 PHE HB2 . 18518 1 1658 . 2 2 10 10 PHE HB3 H 1 2.932 0.030 . 2 . . . . 210 PHE HB3 . 18518 1 1659 . 2 2 10 10 PHE HD1 H 1 7.165 0.030 . 3 . . . . 210 PHE QD . 18518 1 1660 . 2 2 10 10 PHE HD2 H 1 7.165 0.030 . 3 . . . . 210 PHE QD . 18518 1 1661 . 2 2 10 10 PHE HE1 H 1 7.360 0.030 . 3 . . . . 210 PHE QE . 18518 1 1662 . 2 2 10 10 PHE HE2 H 1 7.360 0.030 . 3 . . . . 210 PHE QE . 18518 1 1663 . 2 2 10 10 PHE HZ H 1 7.207 0.030 . 1 . . . . 210 PHE HZ . 18518 1 1664 . 2 2 11 11 VAL H H 1 8.993 0.030 . 1 . . . . 211 VAL HN . 18518 1 1665 . 2 2 11 11 VAL HA H 1 4.035 0.030 . 1 . . . . 211 VAL HA . 18518 1 1666 . 2 2 11 11 VAL HB H 1 1.706 0.030 . 1 . . . . 211 VAL HB . 18518 1 1667 . 2 2 11 11 VAL HG11 H 1 0.816 0.030 . 1 . . . . 211 VAL QG1 . 18518 1 1668 . 2 2 11 11 VAL HG12 H 1 0.816 0.030 . 1 . . . . 211 VAL QG1 . 18518 1 1669 . 2 2 11 11 VAL HG13 H 1 0.816 0.030 . 1 . . . . 211 VAL QG1 . 18518 1 1670 . 2 2 11 11 VAL HG21 H 1 0.661 0.030 . 1 . . . . 211 VAL QG2 . 18518 1 1671 . 2 2 11 11 VAL HG22 H 1 0.661 0.030 . 1 . . . . 211 VAL QG2 . 18518 1 1672 . 2 2 11 11 VAL HG23 H 1 0.661 0.030 . 1 . . . . 211 VAL QG2 . 18518 1 1673 . 2 2 12 12 GLU H H 1 8.320 0.030 . 1 . . . . 212 GLU HN . 18518 1 1674 . 2 2 12 12 GLU HA H 1 4.555 0.030 . 1 . . . . 212 GLU HA . 18518 1 1675 . 2 2 12 12 GLU HB2 H 1 2.145 0.030 . 1 . . . . 212 GLU HB2 . 18518 1 1676 . 2 2 12 12 GLU HB3 H 1 1.968 0.030 . 1 . . . . 212 GLU HB3 . 18518 1 1677 . 2 2 12 12 GLU HG2 H 1 2.307 0.030 . 1 . . . . 212 GLU HG2 . 18518 1 1678 . 2 2 12 12 GLU HG3 H 1 2.199 0.030 . 1 . . . . 212 GLU HG3 . 18518 1 1679 . 2 2 13 13 ILE H H 1 8.299 0.030 . 1 . . . . 213 ILE HN . 18518 1 1680 . 2 2 13 13 ILE HA H 1 4.265 0.030 . 1 . . . . 213 ILE HA . 18518 1 1681 . 2 2 13 13 ILE HB H 1 1.861 0.030 . 1 . . . . 213 ILE HB . 18518 1 1682 . 2 2 13 13 ILE HG12 H 1 1.523 0.030 . 2 . . . . 213 ILE HG12 . 18518 1 1683 . 2 2 13 13 ILE HG13 H 1 1.466 0.030 . 2 . . . . 213 ILE HG13 . 18518 1 1684 . 2 2 13 13 ILE HG21 H 1 0.750 0.030 . 1 . . . . 213 ILE QG2 . 18518 1 1685 . 2 2 13 13 ILE HG22 H 1 0.750 0.030 . 1 . . . . 213 ILE QG2 . 18518 1 1686 . 2 2 13 13 ILE HG23 H 1 0.750 0.030 . 1 . . . . 213 ILE QG2 . 18518 1 1687 . 2 2 13 13 ILE HD11 H 1 0.895 0.030 . 1 . . . . 213 ILE QD1 . 18518 1 1688 . 2 2 13 13 ILE HD12 H 1 0.895 0.030 . 1 . . . . 213 ILE QD1 . 18518 1 1689 . 2 2 13 13 ILE HD13 H 1 0.895 0.030 . 1 . . . . 213 ILE QD1 . 18518 1 1690 . 2 2 14 14 ARG H H 1 8.469 0.030 . 1 . . . . 214 ARG HN . 18518 1 1691 . 2 2 14 14 ARG HA H 1 4.554 0.030 . 1 . . . . 214 ARG HA . 18518 1 1692 . 2 2 14 14 ARG HB2 H 1 1.403 0.030 . 1 . . . . 214 ARG HB2 . 18518 1 1693 . 2 2 14 14 ARG HB3 H 1 1.869 0.030 . 1 . . . . 214 ARG HB3 . 18518 1 1694 . 2 2 14 14 ARG HG2 H 1 1.866 0.030 . 1 . . . . 214 ARG HG2 . 18518 1 1695 . 2 2 14 14 ARG HG3 H 1 1.588 0.030 . 1 . . . . 214 ARG HG3 . 18518 1 1696 . 2 2 14 14 ARG HD2 H 1 3.193 0.030 . 1 . . . . 214 ARG QD . 18518 1 1697 . 2 2 14 14 ARG HD3 H 1 3.193 0.030 . 1 . . . . 214 ARG QD . 18518 1 1698 . 2 2 15 15 MET H H 1 8.718 0.030 . 1 . . . . 215 MET HN . 18518 1 1699 . 2 2 15 15 MET HA H 1 4.511 0.030 . 1 . . . . 215 MET HA . 18518 1 1700 . 2 2 15 15 MET HB2 H 1 2.170 0.030 . 2 . . . . 215 MET HB2 . 18518 1 1701 . 2 2 15 15 MET HB3 H 1 2.056 0.030 . 2 . . . . 215 MET HB3 . 18518 1 1702 . 2 2 15 15 MET HG2 H 1 2.636 0.030 . 2 . . . . 215 MET HG2 . 18518 1 1703 . 2 2 15 15 MET HG3 H 1 2.490 0.030 . 2 . . . . 215 MET HG3 . 18518 1 1704 . 2 2 15 15 MET HE1 H 1 1.967 0.030 . 1 . . . . 215 MET QE . 18518 1 1705 . 2 2 15 15 MET HE2 H 1 1.967 0.030 . 1 . . . . 215 MET QE . 18518 1 1706 . 2 2 15 15 MET HE3 H 1 1.967 0.030 . 1 . . . . 215 MET QE . 18518 1 1707 . 2 2 16 16 ALA H H 1 8.385 0.030 . 1 . . . . 216 ALA HN . 18518 1 1708 . 2 2 16 16 ALA HA H 1 4.372 0.030 . 1 . . . . 216 ALA HA . 18518 1 1709 . 2 2 16 16 ALA HB1 H 1 1.394 0.030 . 1 . . . . 216 ALA QB . 18518 1 1710 . 2 2 16 16 ALA HB2 H 1 1.394 0.030 . 1 . . . . 216 ALA QB . 18518 1 1711 . 2 2 16 16 ALA HB3 H 1 1.394 0.030 . 1 . . . . 216 ALA QB . 18518 1 1712 . 2 2 17 17 GLU H H 1 8.065 0.030 . 1 . . . . 217 GLU HN . 18518 1 1713 . 2 2 17 17 GLU HA H 1 4.091 0.030 . 1 . . . . 217 GLU HA . 18518 1 1714 . 2 2 17 17 GLU HB2 H 1 1.876 0.030 . 1 . . . . 217 GLU HB2 . 18518 1 1715 . 2 2 17 17 GLU HB3 H 1 2.048 0.030 . 1 . . . . 217 GLU HB3 . 18518 1 1716 . 2 2 17 17 GLU HG2 H 1 2.199 0.030 . 1 . . . . 217 GLU QG . 18518 1 1717 . 2 2 17 17 GLU HG3 H 1 2.199 0.030 . 1 . . . . 217 GLU QG . 18518 1 stop_ save_