data_18092 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18092 _Entry.Title ; Solution structure of the N-terminal domain of human polypeptide chain release factor eRF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-21 _Entry.Accession_date 2011-11-21 _Entry.Last_release_date 2012-05-22 _Entry.Original_release_date 2012-05-22 _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 SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vladimir Polshakov . I. . 18092 2 Boris Eliseev . D. . 18092 3 Berry Birdsall . . . 18092 4 Ludmila Frolova . Yu . 18092 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' . 18092 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'protein structure and dynamics' . 18092 'stop codon recognition' . 18092 'termination of protein synthesis' . 18092 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18092 heteronucl_NOEs 1 18092 heteronucl_T1_relaxation 1 18092 heteronucl_T2_relaxation 1 18092 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 18092 '15N chemical shifts' 152 18092 '1H chemical shifts' 1023 18092 'heteronuclear NOE values' 123 18092 'T1 relaxation values' 125 18092 'T2 relaxation values' 125 18092 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-22 2011-11-18 original author . 18092 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15366 ; NMR assignments of the C-terminal domain of human polypeptide release factor eRF1 ; 18092 BMRB 6116 'Backbone (H,CA,CB and N) resonance assignment of the N-terminal domain of human eRF1' 18092 BMRB 6763 'NMR assignments of the middle domain of human polypeptide release factor eRF1' 18092 PDB 1DT9 'Crystal structure of human eukaryotic release factor eRF1' 18092 PDB 2HST 'NMR structure and dynamics of the middle domain of human eRF1' 18092 PDB 2KTU 'NMR solution structure of the closed conformer of the C-domain of human eRF1' 18092 PDB 2KTV 'NMR solution structure of the open conformer of the C-domain of human eRF1' 18092 PDB 3E1Y 'Crystal structure of human eRF1/eRF3 complex' 18092 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18092 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22517631 _Citation.Full_citation . _Citation.Title 'Structure and dynamics in solution of the stop codon decoding N-terminal domain of the human polypeptide chain release factor eRF1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 21 _Citation.Journal_issue 6 _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 896 _Citation.Page_last 903 _Citation.Year 2012 _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 Polshakov . I. . 18092 1 2 Boris Eliseev . D. . 18092 1 3 Berry Birdsall . . . 18092 1 4 'Ludmila Yu' Frolova . . . 18092 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18092 _Assembly.ID 1 _Assembly.Name NeRF1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 NeRF1 1 $NeRF1 A . yes native no no . . . 18092 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NeRF1 _Entity.Sf_category entity _Entity.Sf_framecode NeRF1 _Entity.Entry_ID 18092 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NeRF1 _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 ; MADDPSAADRNVEIWKIKKL IKSLEAARGNGTSMISLIIP PKDQISRVAKMLADEFGTAS NIKSRVNRLSVLGAITSVQQ RLKLYNKVPPNGLVVYCGTI VTEEGKEKKVNIDFEPFKPI NTSLYLCDNKFHTEALTALL SDLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15698.317 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17822 . entity . . . . . 96.00 144 97.22 97.92 2.66e-97 . . . . 18092 1 2 no BMRB 19506 . eRF1 . . . . . 94.67 445 100.00 100.00 5.83e-95 . . . . 18092 1 3 no BMRB 25016 . entity . . . . . 94.67 142 99.30 100.00 5.44e-98 . . . . 18092 1 4 no BMRB 25020 . entity . . . . . 94.67 142 99.30 100.00 3.92e-98 . . . . 18092 1 5 no PDB 1DT9 . "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 6 no PDB 2LGT . "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Qfm(Y)f" . . . . . 96.00 144 97.22 97.92 2.66e-97 . . . . 18092 1 7 no PDB 2LLX . "Solution Structure Of The N-Terminal Domain Of Human Polypeptide Chain Release Factor Erf1" . . . . . 100.00 150 100.00 100.00 6.88e-106 . . . . 18092 1 8 no PDB 2MQ6 . "Solution Structure Of Y125f Mutant Of Erf1 N-domain" . . . . . 94.67 142 99.30 100.00 5.44e-98 . . . . 18092 1 9 no PDB 2MQ9 . "Solution Structure Of E55q Mutant Of Erf1 N-domain" . . . . . 94.67 142 99.30 100.00 3.92e-98 . . . . 18092 1 10 no PDB 3E1Y . "Crystal Structure Of Human Erf1ERF3 COMPLEX" . . . . . 94.67 451 100.00 100.00 6.34e-95 . . . . 18092 1 11 no PDB 3J5Y . "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" . . . . . 90.67 414 100.00 100.00 1.87e-90 . . . . 18092 1 12 no PDB 4D5N . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 92.00 436 100.00 100.00 6.58e-92 . . . . 18092 1 13 no PDB 4D61 . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 92.00 436 100.00 100.00 6.58e-92 . . . . 18092 1 14 no DBJ BAA85489 . "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 15 no DBJ BAC33839 . "unnamed protein product [Mus musculus]" . . . . . 94.67 437 100.00 100.00 2.37e-95 . . . . 18092 1 16 no DBJ BAE31210 . "unnamed protein product [Mus musculus]" . . . . . 61.33 387 100.00 100.00 8.52e-57 . . . . 18092 1 17 no DBJ BAE31619 . "unnamed protein product [Mus musculus]" . . . . . 61.33 387 100.00 100.00 8.52e-57 . . . . 18092 1 18 no DBJ BAE37589 . "unnamed protein product [Mus musculus]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 19 no EMBL CAA37987 . "suppressor [Xenopus laevis]" . . . . . 94.67 437 100.00 100.00 1.81e-95 . . . . 18092 1 20 no EMBL CAA57281 . "C11 protein [Homo sapiens]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 21 no EMBL CAA57282 . "C11 protein [Mesocricetus auratus]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 22 no EMBL CAA78620 . "XLCL1 [Xenopus laevis]" . . . . . 94.67 437 100.00 100.00 1.81e-95 . . . . 18092 1 23 no EMBL CAF90786 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 94.67 443 100.00 100.00 3.17e-95 . . . . 18092 1 24 no GB AAA36665 . "TB3-1 [Homo sapiens]" . . . . . 94.67 428 99.30 99.30 7.56e-94 . . . . 18092 1 25 no GB AAB49726 . "eukaryotic release factor 1 [Homo sapiens]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 26 no GB AAD43966 . "eRF1 [Homo sapiens]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 27 no GB AAH13717 . "Eukaryotic translation termination factor 1 [Mus musculus]" . . . . . 94.67 437 99.30 99.30 3.11e-94 . . . . 18092 1 28 no GB AAH14269 . "ETF1 protein [Homo sapiens]" . . . . . 72.67 404 100.00 100.00 1.05e-69 . . . . 18092 1 29 no REF NP_001008345 . "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 30 no REF NP_001069722 . "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 31 no REF NP_001076236 . "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 32 no REF NP_001084363 . "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" . . . . . 94.67 437 100.00 100.00 1.81e-95 . . . . 18092 1 33 no REF NP_001126989 . "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" . . . . . 94.67 437 100.00 100.00 2.02e-95 . . . . 18092 1 34 no SP P35615 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=O" . . . . . 94.67 437 100.00 100.00 1.81e-95 . . . . 18092 1 35 no SP P62495 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 36 no SP P62496 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 37 no SP P62497 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 1 38 no SP P62498 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" . . . . . 94.67 437 100.00 100.00 2.48e-95 . . . . 18092 1 39 no TPG DAA27419 . "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 94.67 437 100.00 100.00 2.22e-95 . . . . 18092 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 . MET . 18092 1 2 . ALA . 18092 1 3 . ASP . 18092 1 4 . ASP . 18092 1 5 . PRO . 18092 1 6 . SER . 18092 1 7 . ALA . 18092 1 8 . ALA . 18092 1 9 . ASP . 18092 1 10 . ARG . 18092 1 11 . ASN . 18092 1 12 . VAL . 18092 1 13 . GLU . 18092 1 14 . ILE . 18092 1 15 . TRP . 18092 1 16 . LYS . 18092 1 17 . ILE . 18092 1 18 . LYS . 18092 1 19 . LYS . 18092 1 20 . LEU . 18092 1 21 . ILE . 18092 1 22 . LYS . 18092 1 23 . SER . 18092 1 24 . LEU . 18092 1 25 . GLU . 18092 1 26 . ALA . 18092 1 27 . ALA . 18092 1 28 . ARG . 18092 1 29 . GLY . 18092 1 30 . ASN . 18092 1 31 . GLY . 18092 1 32 . THR . 18092 1 33 . SER . 18092 1 34 . MET . 18092 1 35 . ILE . 18092 1 36 . SER . 18092 1 37 . LEU . 18092 1 38 . ILE . 18092 1 39 . ILE . 18092 1 40 . PRO . 18092 1 41 . PRO . 18092 1 42 . LYS . 18092 1 43 . ASP . 18092 1 44 . GLN . 18092 1 45 . ILE . 18092 1 46 . SER . 18092 1 47 . ARG . 18092 1 48 . VAL . 18092 1 49 . ALA . 18092 1 50 . LYS . 18092 1 51 . MET . 18092 1 52 . LEU . 18092 1 53 . ALA . 18092 1 54 . ASP . 18092 1 55 . GLU . 18092 1 56 . PHE . 18092 1 57 . GLY . 18092 1 58 . THR . 18092 1 59 . ALA . 18092 1 60 . SER . 18092 1 61 . ASN . 18092 1 62 . ILE . 18092 1 63 . LYS . 18092 1 64 . SER . 18092 1 65 . ARG . 18092 1 66 . VAL . 18092 1 67 . ASN . 18092 1 68 . ARG . 18092 1 69 . LEU . 18092 1 70 . SER . 18092 1 71 . VAL . 18092 1 72 . LEU . 18092 1 73 . GLY . 18092 1 74 . ALA . 18092 1 75 . ILE . 18092 1 76 . THR . 18092 1 77 . SER . 18092 1 78 . VAL . 18092 1 79 . GLN . 18092 1 80 . GLN . 18092 1 81 . ARG . 18092 1 82 . LEU . 18092 1 83 . LYS . 18092 1 84 . LEU . 18092 1 85 . TYR . 18092 1 86 . ASN . 18092 1 87 . LYS . 18092 1 88 . VAL . 18092 1 89 . PRO . 18092 1 90 . PRO . 18092 1 91 . ASN . 18092 1 92 . GLY . 18092 1 93 . LEU . 18092 1 94 . VAL . 18092 1 95 . VAL . 18092 1 96 . TYR . 18092 1 97 . CYS . 18092 1 98 . GLY . 18092 1 99 . THR . 18092 1 100 . ILE . 18092 1 101 . VAL . 18092 1 102 . THR . 18092 1 103 . GLU . 18092 1 104 . GLU . 18092 1 105 . GLY . 18092 1 106 . LYS . 18092 1 107 . GLU . 18092 1 108 . LYS . 18092 1 109 . LYS . 18092 1 110 . VAL . 18092 1 111 . ASN . 18092 1 112 . ILE . 18092 1 113 . ASP . 18092 1 114 . PHE . 18092 1 115 . GLU . 18092 1 116 . PRO . 18092 1 117 . PHE . 18092 1 118 . LYS . 18092 1 119 . PRO . 18092 1 120 . ILE . 18092 1 121 . ASN . 18092 1 122 . THR . 18092 1 123 . SER . 18092 1 124 . LEU . 18092 1 125 . TYR . 18092 1 126 . LEU . 18092 1 127 . CYS . 18092 1 128 . ASP . 18092 1 129 . ASN . 18092 1 130 . LYS . 18092 1 131 . PHE . 18092 1 132 . HIS . 18092 1 133 . THR . 18092 1 134 . GLU . 18092 1 135 . ALA . 18092 1 136 . LEU . 18092 1 137 . THR . 18092 1 138 . ALA . 18092 1 139 . LEU . 18092 1 140 . LEU . 18092 1 141 . SER . 18092 1 142 . ASP . 18092 1 143 . LEU . 18092 1 144 . GLU . 18092 1 145 . HIS . 18092 1 146 . HIS . 18092 1 147 . HIS . 18092 1 148 . HIS . 18092 1 149 . HIS . 18092 1 150 . HIS . 18092 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18092 1 . ALA 2 2 18092 1 . ASP 3 3 18092 1 . ASP 4 4 18092 1 . PRO 5 5 18092 1 . SER 6 6 18092 1 . ALA 7 7 18092 1 . ALA 8 8 18092 1 . ASP 9 9 18092 1 . ARG 10 10 18092 1 . ASN 11 11 18092 1 . VAL 12 12 18092 1 . GLU 13 13 18092 1 . ILE 14 14 18092 1 . TRP 15 15 18092 1 . LYS 16 16 18092 1 . ILE 17 17 18092 1 . LYS 18 18 18092 1 . LYS 19 19 18092 1 . LEU 20 20 18092 1 . ILE 21 21 18092 1 . LYS 22 22 18092 1 . SER 23 23 18092 1 . LEU 24 24 18092 1 . GLU 25 25 18092 1 . ALA 26 26 18092 1 . ALA 27 27 18092 1 . ARG 28 28 18092 1 . GLY 29 29 18092 1 . ASN 30 30 18092 1 . GLY 31 31 18092 1 . THR 32 32 18092 1 . SER 33 33 18092 1 . MET 34 34 18092 1 . ILE 35 35 18092 1 . SER 36 36 18092 1 . LEU 37 37 18092 1 . ILE 38 38 18092 1 . ILE 39 39 18092 1 . PRO 40 40 18092 1 . PRO 41 41 18092 1 . LYS 42 42 18092 1 . ASP 43 43 18092 1 . GLN 44 44 18092 1 . ILE 45 45 18092 1 . SER 46 46 18092 1 . ARG 47 47 18092 1 . VAL 48 48 18092 1 . ALA 49 49 18092 1 . LYS 50 50 18092 1 . MET 51 51 18092 1 . LEU 52 52 18092 1 . ALA 53 53 18092 1 . ASP 54 54 18092 1 . GLU 55 55 18092 1 . PHE 56 56 18092 1 . GLY 57 57 18092 1 . THR 58 58 18092 1 . ALA 59 59 18092 1 . SER 60 60 18092 1 . ASN 61 61 18092 1 . ILE 62 62 18092 1 . LYS 63 63 18092 1 . SER 64 64 18092 1 . ARG 65 65 18092 1 . VAL 66 66 18092 1 . ASN 67 67 18092 1 . ARG 68 68 18092 1 . LEU 69 69 18092 1 . SER 70 70 18092 1 . VAL 71 71 18092 1 . LEU 72 72 18092 1 . GLY 73 73 18092 1 . ALA 74 74 18092 1 . ILE 75 75 18092 1 . THR 76 76 18092 1 . SER 77 77 18092 1 . VAL 78 78 18092 1 . GLN 79 79 18092 1 . GLN 80 80 18092 1 . ARG 81 81 18092 1 . LEU 82 82 18092 1 . LYS 83 83 18092 1 . LEU 84 84 18092 1 . TYR 85 85 18092 1 . ASN 86 86 18092 1 . LYS 87 87 18092 1 . VAL 88 88 18092 1 . PRO 89 89 18092 1 . PRO 90 90 18092 1 . ASN 91 91 18092 1 . GLY 92 92 18092 1 . LEU 93 93 18092 1 . VAL 94 94 18092 1 . VAL 95 95 18092 1 . TYR 96 96 18092 1 . CYS 97 97 18092 1 . GLY 98 98 18092 1 . THR 99 99 18092 1 . ILE 100 100 18092 1 . VAL 101 101 18092 1 . THR 102 102 18092 1 . GLU 103 103 18092 1 . GLU 104 104 18092 1 . GLY 105 105 18092 1 . LYS 106 106 18092 1 . GLU 107 107 18092 1 . LYS 108 108 18092 1 . LYS 109 109 18092 1 . VAL 110 110 18092 1 . ASN 111 111 18092 1 . ILE 112 112 18092 1 . ASP 113 113 18092 1 . PHE 114 114 18092 1 . GLU 115 115 18092 1 . PRO 116 116 18092 1 . PHE 117 117 18092 1 . LYS 118 118 18092 1 . PRO 119 119 18092 1 . ILE 120 120 18092 1 . ASN 121 121 18092 1 . THR 122 122 18092 1 . SER 123 123 18092 1 . LEU 124 124 18092 1 . TYR 125 125 18092 1 . LEU 126 126 18092 1 . CYS 127 127 18092 1 . ASP 128 128 18092 1 . ASN 129 129 18092 1 . LYS 130 130 18092 1 . PHE 131 131 18092 1 . HIS 132 132 18092 1 . THR 133 133 18092 1 . GLU 134 134 18092 1 . ALA 135 135 18092 1 . LEU 136 136 18092 1 . THR 137 137 18092 1 . ALA 138 138 18092 1 . LEU 139 139 18092 1 . LEU 140 140 18092 1 . SER 141 141 18092 1 . ASP 142 142 18092 1 . LEU 143 143 18092 1 . GLU 144 144 18092 1 . HIS 145 145 18092 1 . HIS 146 146 18092 1 . HIS 147 147 18092 1 . HIS 148 148 18092 1 . HIS 149 149 18092 1 . HIS 150 150 18092 1 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 18092 _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 $NeRF1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18092 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 18092 _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 $NeRF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) pUBS . . . . . . . . . . . . . . pET23b . . . . . . 18092 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_13C15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N_H2O _Sample.Entry_ID 18092 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NeRF1 '[U-99% 13C; U-99% 15N]' . . 1 $NeRF1 . . 1 . . mM . . . . 18092 1 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18092 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18092 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18092 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18092 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18092 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18092 1 stop_ save_ save_sample_13C15N_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N_D2O _Sample.Entry_ID 18092 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NeRF1 '[U-99% 13C; U-99% 15N]' . . 1 $NeRF1 . . 1 . . mM . . . . 18092 2 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18092 2 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18092 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18092 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18092 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18092 2 stop_ save_ save_sample_unl_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_unl_D2O _Sample.Entry_ID 18092 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NeRF1 'natural abundance' . . 1 $NeRF1 . . 1 . . mM . . . . 18092 3 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18092 3 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18092 3 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18092 3 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18092 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18092 3 stop_ save_ save_sample_15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode sample_15N_H2O _Sample.Entry_ID 18092 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NeRF1 '[U-99% 15N]' . . 1 $NeRF1 . . 1 . . mM . . . . 18092 4 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18092 4 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18092 4 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18092 4 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18092 4 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18092 4 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18092 4 stop_ save_ save_sample_15N_aniso _Sample.Sf_category sample _Sample.Sf_framecode sample_15N_aniso _Sample.Entry_ID 18092 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NeRF1 '[U-99% 15N]' . . 1 $NeRF1 . . 1 . . mM . . . . 18092 5 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18092 5 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18092 5 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 18092 5 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18092 5 6 C12E5 'natural abundance' . . . . . . 5.00 . . % . . . . 18092 5 7 hexanol 'natural abundance' . . . . . . 1.068 . . % . . . . 18092 5 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18092 5 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18092 5 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 18092 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.035 . M 18092 1 pH 6.8 . pH 18092 1 pressure 1 . atm 18092 1 temperature 298 . K 18092 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18092 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18092 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18092 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18092 _Software.ID 2 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18092 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18092 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18092 _Software.ID 3 _Software.Name NMRPipe _Software.Version 5.99 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18092 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18092 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18092 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18092 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18092 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18092 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18092 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18092 5 stop_ save_ save_AngleSearch _Software.Sf_category software _Software.Sf_framecode AngleSearch _Software.Entry_ID 18092 _Software.ID 6 _Software.Name AngleSearch _Software.Version 2.10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Polshakov, Feeney' . . 18092 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18092 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18092 _Software.ID 7 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18092 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18092 7 stop_ save_ save_NMRest _Software.Sf_category software _Software.Sf_framecode NMRest _Software.Entry_ID 18092 _Software.ID 8 _Software.Name NMRest _Software.Version 0.99 _Software.Details 'NMR restraints analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Polshakov vpolsha@gmail.com . 18092 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18092 8 stop_ save_ save_RelaxFit _Software.Sf_category software _Software.Sf_framecode RelaxFit _Software.Entry_ID 18092 _Software.ID 9 _Software.Name Relax _Software.Version 0.99 _Software.Details 'NMR relaxation data analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Polshakov vpolsha@gmail.com . 18092 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18092 9 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18092 _Software.ID 10 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18092 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18092 10 stop_ save_ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID 18092 _Software.ID 11 _Software.Name InsightII _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 18092 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18092 11 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 18092 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18092 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18092 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18092 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18092 _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 Varian INOVA . 800 'with cryoprobe' . . 18092 1 2 spectrometer_2 Varian INOVA . 600 . . . 18092 1 3 spectrometer_3 Bruker Avance . 600 'with cryoprobe' . . 18092 1 4 spectrometer_4 Bruker Avance . 600 . . . 18092 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 18092 _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 . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18092 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 3 '2D DQF-COSY' no . . . . . . . . . . 3 $sample_unl_D2O isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18092 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_unl_D2O isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18092 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18092 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18092 1 9 '3D HNHA' no . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 10 '3D HNHB' no . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18092 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18092 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18092 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18092 1 15 '2D IPAP' no . . . . . . . . . . 5 $sample_15N_aniso anisotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18092 1 16 '2D J-modulated 1H-15N HSQC' no . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 17 '15N{1H} NOE' no . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 18 '15N T1' no . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 1 19 '15N T2' no . . . . . . . . . . 4 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18092 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 18092 _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 . . . . . . . . . 18092 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18092 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18092 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 18092 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18092 1 2 '2D 1H-13C HSQC' . . . 18092 1 3 '2D DQF-COSY' . . . 18092 1 5 '3D CBCA(CO)NH' . . . 18092 1 7 '3D HNCACB' . . . 18092 1 8 '3D HBHA(CO)NH' . . . 18092 1 9 '3D HNHA' . . . 18092 1 10 '3D HNHB' . . . 18092 1 11 '3D H(CCO)NH' . . . 18092 1 12 '3D HCCH-TOCSY' . . . 18092 1 13 '3D 1H-15N NOESY' . . . 18092 1 14 '3D 1H-13C NOESY' . . . 18092 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.747 0.050 . 1 . . . . 1 MET HA . 18092 1 2 . 1 1 1 1 MET HB2 H 1 1.837 0.050 . 2 . . . . 1 MET HB2 . 18092 1 3 . 1 1 1 1 MET HB3 H 1 1.981 0.050 . 2 . . . . 1 MET HB3 . 18092 1 4 . 1 1 1 1 MET C C 13 176.963 0.100 . 1 . . . . 1 MET C . 18092 1 5 . 1 1 1 1 MET CB C 13 35.846 0.100 . 1 . . . . 1 MET CB . 18092 1 6 . 1 1 2 2 ALA H H 1 8.238 0.004 . 1 . . . . 2 ALA HN . 18092 1 7 . 1 1 2 2 ALA HA H 1 4.212 0.007 . 1 . . . . 2 ALA HA . 18092 1 8 . 1 1 2 2 ALA HB1 H 1 1.308 0.008 . 1 . . . . 2 ALA HB1 . 18092 1 9 . 1 1 2 2 ALA HB2 H 1 1.308 0.008 . 1 . . . . 2 ALA HB2 . 18092 1 10 . 1 1 2 2 ALA HB3 H 1 1.308 0.008 . 1 . . . . 2 ALA HB3 . 18092 1 11 . 1 1 2 2 ALA C C 13 177.764 0.100 . 1 . . . . 2 ALA C . 18092 1 12 . 1 1 2 2 ALA CA C 13 52.878 0.046 . 1 . . . . 2 ALA CA . 18092 1 13 . 1 1 2 2 ALA CB C 13 19.629 0.034 . 1 . . . . 2 ALA CB . 18092 1 14 . 1 1 2 2 ALA N N 15 129.550 0.041 . 1 . . . . 2 ALA N . 18092 1 15 . 1 1 3 3 ASP H H 1 8.316 0.003 . 1 . . . . 3 ASP HN . 18092 1 16 . 1 1 3 3 ASP HA H 1 4.522 0.009 . 1 . . . . 3 ASP HA . 18092 1 17 . 1 1 3 3 ASP HB2 H 1 2.530 0.050 . 2 . . . . 3 ASP HB2 . 18092 1 18 . 1 1 3 3 ASP HB3 H 1 2.612 0.050 . 2 . . . . 3 ASP HB3 . 18092 1 19 . 1 1 3 3 ASP C C 13 175.590 0.100 . 1 . . . . 3 ASP C . 18092 1 20 . 1 1 3 3 ASP CA C 13 54.340 0.052 . 1 . . . . 3 ASP CA . 18092 1 21 . 1 1 3 3 ASP CB C 13 41.382 0.015 . 1 . . . . 3 ASP CB . 18092 1 22 . 1 1 3 3 ASP N N 15 118.671 0.042 . 1 . . . . 3 ASP N . 18092 1 23 . 1 1 4 4 ASP H H 1 8.066 0.005 . 1 . . . . 4 ASP HN . 18092 1 24 . 1 1 4 4 ASP HA H 1 4.858 0.004 . 1 . . . . 4 ASP HA . 18092 1 25 . 1 1 4 4 ASP HB2 H 1 2.541 0.005 . 2 . . . . 4 ASP HB2 . 18092 1 26 . 1 1 4 4 ASP HB3 H 1 2.738 0.002 . 2 . . . . 4 ASP HB3 . 18092 1 27 . 1 1 4 4 ASP CA C 13 52.220 0.054 . 1 . . . . 4 ASP CA . 18092 1 28 . 1 1 4 4 ASP CB C 13 41.548 0.037 . 1 . . . . 4 ASP CB . 18092 1 29 . 1 1 4 4 ASP N N 15 121.157 0.034 . 1 . . . . 4 ASP N . 18092 1 30 . 1 1 5 5 PRO HA H 1 4.404 0.007 . 1 . . . . 5 PRO HA . 18092 1 31 . 1 1 5 5 PRO HB2 H 1 1.967 0.010 . 2 . . . . 5 PRO HB2 . 18092 1 32 . 1 1 5 5 PRO HB3 H 1 2.292 0.002 . 2 . . . . 5 PRO HB3 . 18092 1 33 . 1 1 5 5 PRO HG2 H 1 2.282 0.050 . 2 . . . . 5 PRO HG2 . 18092 1 34 . 1 1 5 5 PRO HG3 H 1 1.978 0.050 . 2 . . . . 5 PRO HG3 . 18092 1 35 . 1 1 5 5 PRO HD2 H 1 3.813 0.008 . 2 . . . . 5 PRO HD2 . 18092 1 36 . 1 1 5 5 PRO HD3 H 1 3.813 0.008 . 2 . . . . 5 PRO HD3 . 18092 1 37 . 1 1 5 5 PRO C C 13 177.401 0.100 . 1 . . . . 5 PRO C . 18092 1 38 . 1 1 5 5 PRO CA C 13 64.122 0.109 . 1 . . . . 5 PRO CA . 18092 1 39 . 1 1 5 5 PRO CB C 13 32.347 0.055 . 1 . . . . 5 PRO CB . 18092 1 40 . 1 1 5 5 PRO CD C 13 51.124 0.065 . 1 . . . . 5 PRO CD . 18092 1 41 . 1 1 6 6 SER H H 1 8.434 0.002 . 1 . . . . 6 SER HN . 18092 1 42 . 1 1 6 6 SER HA H 1 4.388 0.004 . 1 . . . . 6 SER HA . 18092 1 43 . 1 1 6 6 SER HB2 H 1 3.882 0.005 . 2 . . . . 6 SER HB2 . 18092 1 44 . 1 1 6 6 SER HB3 H 1 3.932 0.013 . 2 . . . . 6 SER HB3 . 18092 1 45 . 1 1 6 6 SER C C 13 174.808 0.100 . 1 . . . . 6 SER C . 18092 1 46 . 1 1 6 6 SER CA C 13 59.172 0.084 . 1 . . . . 6 SER CA . 18092 1 47 . 1 1 6 6 SER CB C 13 64.046 0.101 . 1 . . . . 6 SER CB . 18092 1 48 . 1 1 6 6 SER N N 15 115.281 0.038 . 1 . . . . 6 SER N . 18092 1 49 . 1 1 7 7 ALA H H 1 7.978 0.003 . 1 . . . . 7 ALA HN . 18092 1 50 . 1 1 7 7 ALA HA H 1 4.173 0.008 . 1 . . . . 7 ALA HA . 18092 1 51 . 1 1 7 7 ALA HB1 H 1 1.384 0.007 . 1 . . . . 7 ALA HB1 . 18092 1 52 . 1 1 7 7 ALA HB2 H 1 1.384 0.007 . 1 . . . . 7 ALA HB2 . 18092 1 53 . 1 1 7 7 ALA HB3 H 1 1.384 0.007 . 1 . . . . 7 ALA HB3 . 18092 1 54 . 1 1 7 7 ALA C C 13 178.085 0.100 . 1 . . . . 7 ALA C . 18092 1 55 . 1 1 7 7 ALA CA C 13 53.621 0.069 . 1 . . . . 7 ALA CA . 18092 1 56 . 1 1 7 7 ALA CB C 13 19.217 0.009 . 1 . . . . 7 ALA CB . 18092 1 57 . 1 1 7 7 ALA N N 15 125.427 0.029 . 1 . . . . 7 ALA N . 18092 1 58 . 1 1 8 8 ALA H H 1 8.032 0.004 . 1 . . . . 8 ALA HN . 18092 1 59 . 1 1 8 8 ALA HA H 1 4.147 0.008 . 1 . . . . 8 ALA HA . 18092 1 60 . 1 1 8 8 ALA HB1 H 1 1.347 0.005 . 1 . . . . 8 ALA HB1 . 18092 1 61 . 1 1 8 8 ALA HB2 H 1 1.347 0.005 . 1 . . . . 8 ALA HB2 . 18092 1 62 . 1 1 8 8 ALA HB3 H 1 1.347 0.005 . 1 . . . . 8 ALA HB3 . 18092 1 63 . 1 1 8 8 ALA C C 13 178.352 0.100 . 1 . . . . 8 ALA C . 18092 1 64 . 1 1 8 8 ALA CA C 13 53.828 0.081 . 1 . . . . 8 ALA CA . 18092 1 65 . 1 1 8 8 ALA CB C 13 19.123 0.040 . 1 . . . . 8 ALA CB . 18092 1 66 . 1 1 8 8 ALA N N 15 121.965 0.038 . 1 . . . . 8 ALA N . 18092 1 67 . 1 1 9 9 ASP H H 1 8.098 0.002 . 1 . . . . 9 ASP HN . 18092 1 68 . 1 1 9 9 ASP HA H 1 4.484 0.006 . 1 . . . . 9 ASP HA . 18092 1 69 . 1 1 9 9 ASP HB2 H 1 2.645 0.004 . 2 . . . . 9 ASP HB2 . 18092 1 70 . 1 1 9 9 ASP HB3 H 1 2.718 0.010 . 2 . . . . 9 ASP HB3 . 18092 1 71 . 1 1 9 9 ASP C C 13 177.292 0.100 . 1 . . . . 9 ASP C . 18092 1 72 . 1 1 9 9 ASP CA C 13 55.334 0.073 . 1 . . . . 9 ASP CA . 18092 1 73 . 1 1 9 9 ASP CB C 13 41.263 0.077 . 1 . . . . 9 ASP CB . 18092 1 74 . 1 1 9 9 ASP N N 15 118.961 0.035 . 1 . . . . 9 ASP N . 18092 1 75 . 1 1 10 10 ARG H H 1 8.192 0.003 . 1 . . . . 10 ARG HN . 18092 1 76 . 1 1 10 10 ARG HA H 1 4.003 0.008 . 1 . . . . 10 ARG HA . 18092 1 77 . 1 1 10 10 ARG HB2 H 1 1.804 0.006 . 2 . . . . 10 ARG HB2 . 18092 1 78 . 1 1 10 10 ARG HB3 H 1 1.804 0.006 . 2 . . . . 10 ARG HB3 . 18092 1 79 . 1 1 10 10 ARG HG2 H 1 1.563 0.010 . 2 . . . . 10 ARG HG2 . 18092 1 80 . 1 1 10 10 ARG HG3 H 1 1.563 0.010 . 2 . . . . 10 ARG HG3 . 18092 1 81 . 1 1 10 10 ARG HD2 H 1 3.125 0.011 . 2 . . . . 10 ARG HD2 . 18092 1 82 . 1 1 10 10 ARG HD3 H 1 3.125 0.011 . 2 . . . . 10 ARG HD3 . 18092 1 83 . 1 1 10 10 ARG C C 13 177.025 0.100 . 1 . . . . 10 ARG C . 18092 1 84 . 1 1 10 10 ARG CA C 13 58.021 0.079 . 1 . . . . 10 ARG CA . 18092 1 85 . 1 1 10 10 ARG CB C 13 30.456 0.019 . 1 . . . . 10 ARG CB . 18092 1 86 . 1 1 10 10 ARG CD C 13 43.501 0.029 . 1 . . . . 10 ARG CD . 18092 1 87 . 1 1 10 10 ARG N N 15 121.849 0.042 . 1 . . . . 10 ARG N . 18092 1 88 . 1 1 11 11 ASN H H 1 8.229 0.003 . 1 . . . . 11 ASN HN . 18092 1 89 . 1 1 11 11 ASN HA H 1 4.447 0.008 . 1 . . . . 11 ASN HA . 18092 1 90 . 1 1 11 11 ASN HB2 H 1 2.642 0.010 . 1 . . . . 11 ASN HB2 . 18092 1 91 . 1 1 11 11 ASN HB3 H 1 2.780 0.004 . 1 . . . . 11 ASN HB3 . 18092 1 92 . 1 1 11 11 ASN HD21 H 1 7.676 0.002 . 2 . . . . 11 ASN HD21 . 18092 1 93 . 1 1 11 11 ASN HD22 H 1 6.916 0.002 . 2 . . . . 11 ASN HD22 . 18092 1 94 . 1 1 11 11 ASN C C 13 177.118 0.100 . 1 . . . . 11 ASN C . 18092 1 95 . 1 1 11 11 ASN CA C 13 55.517 0.049 . 1 . . . . 11 ASN CA . 18092 1 96 . 1 1 11 11 ASN CB C 13 38.461 0.032 . 1 . . . . 11 ASN CB . 18092 1 97 . 1 1 11 11 ASN N N 15 117.683 0.043 . 1 . . . . 11 ASN N . 18092 1 98 . 1 1 11 11 ASN ND2 N 15 113.183 0.045 . 1 . . . . 11 ASN ND2 . 18092 1 99 . 1 1 12 12 VAL H H 1 7.855 0.004 . 1 . . . . 12 VAL HN . 18092 1 100 . 1 1 12 12 VAL HA H 1 3.781 0.006 . 1 . . . . 12 VAL HA . 18092 1 101 . 1 1 12 12 VAL HB H 1 2.149 0.003 . 1 . . . . 12 VAL HB . 18092 1 102 . 1 1 12 12 VAL HG11 H 1 0.916 0.005 . 2 . . . . 12 VAL HG11 . 18092 1 103 . 1 1 12 12 VAL HG12 H 1 0.916 0.005 . 2 . . . . 12 VAL HG12 . 18092 1 104 . 1 1 12 12 VAL HG13 H 1 0.916 0.005 . 2 . . . . 12 VAL HG13 . 18092 1 105 . 1 1 12 12 VAL HG21 H 1 0.989 0.007 . 2 . . . . 12 VAL HG21 . 18092 1 106 . 1 1 12 12 VAL HG22 H 1 0.989 0.007 . 2 . . . . 12 VAL HG22 . 18092 1 107 . 1 1 12 12 VAL HG23 H 1 0.989 0.007 . 2 . . . . 12 VAL HG23 . 18092 1 108 . 1 1 12 12 VAL C C 13 177.650 0.100 . 1 . . . . 12 VAL C . 18092 1 109 . 1 1 12 12 VAL CA C 13 65.858 0.040 . 1 . . . . 12 VAL CA . 18092 1 110 . 1 1 12 12 VAL CB C 13 32.099 0.035 . 1 . . . . 12 VAL CB . 18092 1 111 . 1 1 12 12 VAL CG2 C 13 22.183 0.075 . 2 . . . . 12 VAL CG2 . 18092 1 112 . 1 1 12 12 VAL N N 15 121.316 0.033 . 1 . . . . 12 VAL N . 18092 1 113 . 1 1 13 13 GLU H H 1 7.828 0.002 . 1 . . . . 13 GLU HN . 18092 1 114 . 1 1 13 13 GLU HA H 1 3.986 0.007 . 1 . . . . 13 GLU HA . 18092 1 115 . 1 1 13 13 GLU HB2 H 1 1.630 0.011 . 1 . . . . 13 GLU HB2 . 18092 1 116 . 1 1 13 13 GLU HB3 H 1 1.744 0.004 . 1 . . . . 13 GLU HB3 . 18092 1 117 . 1 1 13 13 GLU HG2 H 1 2.045 0.005 . 2 . . . . 13 GLU HG2 . 18092 1 118 . 1 1 13 13 GLU HG3 H 1 2.149 0.004 . 2 . . . . 13 GLU HG3 . 18092 1 119 . 1 1 13 13 GLU C C 13 179.181 0.100 . 1 . . . . 13 GLU C . 18092 1 120 . 1 1 13 13 GLU CA C 13 58.838 0.032 . 1 . . . . 13 GLU CA . 18092 1 121 . 1 1 13 13 GLU CB C 13 28.966 0.001 . 1 . . . . 13 GLU CB . 18092 1 122 . 1 1 13 13 GLU CG C 13 35.845 0.007 . 1 . . . . 13 GLU CG . 18092 1 123 . 1 1 13 13 GLU N N 15 119.897 0.038 . 1 . . . . 13 GLU N . 18092 1 124 . 1 1 14 14 ILE H H 1 7.894 0.006 . 1 . . . . 14 ILE HN . 18092 1 125 . 1 1 14 14 ILE HA H 1 3.383 0.006 . 1 . . . . 14 ILE HA . 18092 1 126 . 1 1 14 14 ILE HB H 1 1.744 0.003 . 1 . . . . 14 ILE HB . 18092 1 127 . 1 1 14 14 ILE HG12 H 1 1.414 0.012 . 2 . . . . 14 ILE HG12 . 18092 1 128 . 1 1 14 14 ILE HG13 H 1 1.414 0.012 . 2 . . . . 14 ILE HG13 . 18092 1 129 . 1 1 14 14 ILE HG21 H 1 0.672 0.003 . 1 . . . . 14 ILE HG21 . 18092 1 130 . 1 1 14 14 ILE HG22 H 1 0.672 0.003 . 1 . . . . 14 ILE HG22 . 18092 1 131 . 1 1 14 14 ILE HG23 H 1 0.672 0.003 . 1 . . . . 14 ILE HG23 . 18092 1 132 . 1 1 14 14 ILE HD11 H 1 0.675 0.006 . 1 . . . . 14 ILE HD11 . 18092 1 133 . 1 1 14 14 ILE HD12 H 1 0.675 0.006 . 1 . . . . 14 ILE HD12 . 18092 1 134 . 1 1 14 14 ILE HD13 H 1 0.675 0.006 . 1 . . . . 14 ILE HD13 . 18092 1 135 . 1 1 14 14 ILE C C 13 177.405 0.100 . 1 . . . . 14 ILE C . 18092 1 136 . 1 1 14 14 ILE CA C 13 65.406 0.059 . 1 . . . . 14 ILE CA . 18092 1 137 . 1 1 14 14 ILE CB C 13 38.188 0.062 . 1 . . . . 14 ILE CB . 18092 1 138 . 1 1 14 14 ILE CG2 C 13 17.463 0.090 . 1 . . . . 14 ILE CG2 . 18092 1 139 . 1 1 14 14 ILE CD1 C 13 13.530 0.092 . 1 . . . . 14 ILE CD1 . 18092 1 140 . 1 1 14 14 ILE N N 15 120.260 0.073 . 1 . . . . 14 ILE N . 18092 1 141 . 1 1 15 15 TRP H H 1 7.884 0.004 . 1 . . . . 15 TRP HN . 18092 1 142 . 1 1 15 15 TRP HA H 1 4.197 0.005 . 1 . . . . 15 TRP HA . 18092 1 143 . 1 1 15 15 TRP HB2 H 1 3.291 0.006 . 2 . . . . 15 TRP HB2 . 18092 1 144 . 1 1 15 15 TRP HB3 H 1 3.384 0.007 . 2 . . . . 15 TRP HB3 . 18092 1 145 . 1 1 15 15 TRP HD1 H 1 7.229 0.011 . 1 . . . . 15 TRP HD1 . 18092 1 146 . 1 1 15 15 TRP HE1 H 1 10.136 0.004 . 1 . . . . 15 TRP HE1 . 18092 1 147 . 1 1 15 15 TRP HE3 H 1 7.554 0.005 . 1 . . . . 15 TRP HE3 . 18092 1 148 . 1 1 15 15 TRP HZ2 H 1 7.421 0.005 . 1 . . . . 15 TRP HZ2 . 18092 1 149 . 1 1 15 15 TRP HZ3 H 1 7.041 0.002 . 1 . . . . 15 TRP HZ3 . 18092 1 150 . 1 1 15 15 TRP HH2 H 1 7.148 0.003 . 1 . . . . 15 TRP HH2 . 18092 1 151 . 1 1 15 15 TRP C C 13 178.505 0.100 . 1 . . . . 15 TRP C . 18092 1 152 . 1 1 15 15 TRP CA C 13 60.836 0.077 . 1 . . . . 15 TRP CA . 18092 1 153 . 1 1 15 15 TRP CB C 13 28.804 0.071 . 1 . . . . 15 TRP CB . 18092 1 154 . 1 1 15 15 TRP CZ2 C 13 113.174 2.436 . 1 . . . . 15 TRP CZ2 . 18092 1 155 . 1 1 15 15 TRP N N 15 120.258 0.062 . 1 . . . . 15 TRP N . 18092 1 156 . 1 1 15 15 TRP NE1 N 15 129.214 0.065 . 1 . . . . 15 TRP NE1 . 18092 1 157 . 1 1 16 16 LYS H H 1 8.046 0.004 . 1 . . . . 16 LYS HN . 18092 1 158 . 1 1 16 16 LYS HA H 1 3.659 0.005 . 1 . . . . 16 LYS HA . 18092 1 159 . 1 1 16 16 LYS HB2 H 1 1.740 0.003 . 1 . . . . 16 LYS HB2 . 18092 1 160 . 1 1 16 16 LYS HB3 H 1 1.839 0.004 . 1 . . . . 16 LYS HB3 . 18092 1 161 . 1 1 16 16 LYS HG2 H 1 1.207 0.007 . 2 . . . . 16 LYS HG2 . 18092 1 162 . 1 1 16 16 LYS HG3 H 1 1.207 0.007 . 2 . . . . 16 LYS HG3 . 18092 1 163 . 1 1 16 16 LYS HD2 H 1 1.574 0.003 . 2 . . . . 16 LYS HD2 . 18092 1 164 . 1 1 16 16 LYS HD3 H 1 1.574 0.003 . 2 . . . . 16 LYS HD3 . 18092 1 165 . 1 1 16 16 LYS C C 13 179.741 0.100 . 1 . . . . 16 LYS C . 18092 1 166 . 1 1 16 16 LYS CA C 13 60.286 0.064 . 1 . . . . 16 LYS CA . 18092 1 167 . 1 1 16 16 LYS CB C 13 33.043 0.046 . 1 . . . . 16 LYS CB . 18092 1 168 . 1 1 16 16 LYS CG C 13 25.585 0.020 . 1 . . . . 16 LYS CG . 18092 1 169 . 1 1 16 16 LYS N N 15 118.625 0.032 . 1 . . . . 16 LYS N . 18092 1 170 . 1 1 17 17 ILE H H 1 7.752 0.032 . 1 . . . . 17 ILE HN . 18092 1 171 . 1 1 17 17 ILE HA H 1 3.720 0.007 . 1 . . . . 17 ILE HA . 18092 1 172 . 1 1 17 17 ILE HB H 1 2.040 0.004 . 1 . . . . 17 ILE HB . 18092 1 173 . 1 1 17 17 ILE HG12 H 1 1.316 0.006 . 2 . . . . 17 ILE HG12 . 18092 1 174 . 1 1 17 17 ILE HG13 H 1 1.592 0.014 . 2 . . . . 17 ILE HG13 . 18092 1 175 . 1 1 17 17 ILE HG21 H 1 0.937 0.005 . 1 . . . . 17 ILE HG21 . 18092 1 176 . 1 1 17 17 ILE HG22 H 1 0.937 0.005 . 1 . . . . 17 ILE HG22 . 18092 1 177 . 1 1 17 17 ILE HG23 H 1 0.937 0.005 . 1 . . . . 17 ILE HG23 . 18092 1 178 . 1 1 17 17 ILE HD11 H 1 0.843 0.005 . 1 . . . . 17 ILE HD11 . 18092 1 179 . 1 1 17 17 ILE HD12 H 1 0.843 0.005 . 1 . . . . 17 ILE HD12 . 18092 1 180 . 1 1 17 17 ILE HD13 H 1 0.843 0.005 . 1 . . . . 17 ILE HD13 . 18092 1 181 . 1 1 17 17 ILE C C 13 177.299 0.100 . 1 . . . . 17 ILE C . 18092 1 182 . 1 1 17 17 ILE CA C 13 63.768 0.109 . 1 . . . . 17 ILE CA . 18092 1 183 . 1 1 17 17 ILE CB C 13 37.041 0.039 . 1 . . . . 17 ILE CB . 18092 1 184 . 1 1 17 17 ILE CG2 C 13 18.998 0.029 . 1 . . . . 17 ILE CG2 . 18092 1 185 . 1 1 17 17 ILE CD1 C 13 12.403 0.040 . 1 . . . . 17 ILE CD1 . 18092 1 186 . 1 1 17 17 ILE N N 15 120.137 0.026 . 1 . . . . 17 ILE N . 18092 1 187 . 1 1 18 18 LYS H H 1 8.402 0.004 . 1 . . . . 18 LYS HN . 18092 1 188 . 1 1 18 18 LYS HA H 1 3.743 0.006 . 1 . . . . 18 LYS HA . 18092 1 189 . 1 1 18 18 LYS HB2 H 1 1.726 0.010 . 2 . . . . 18 LYS HB2 . 18092 1 190 . 1 1 18 18 LYS HB3 H 1 1.769 0.008 . 2 . . . . 18 LYS HB3 . 18092 1 191 . 1 1 18 18 LYS HG2 H 1 1.249 0.014 . 2 . . . . 18 LYS HG2 . 18092 1 192 . 1 1 18 18 LYS HG3 H 1 1.249 0.014 . 2 . . . . 18 LYS HG3 . 18092 1 193 . 1 1 18 18 LYS HD2 H 1 1.430 0.003 . 2 . . . . 18 LYS HD2 . 18092 1 194 . 1 1 18 18 LYS HD3 H 1 1.430 0.003 . 2 . . . . 18 LYS HD3 . 18092 1 195 . 1 1 18 18 LYS HE2 H 1 2.668 0.050 . 2 . . . . 18 LYS HE2 . 18092 1 196 . 1 1 18 18 LYS HE3 H 1 2.783 0.050 . 2 . . . . 18 LYS HE3 . 18092 1 197 . 1 1 18 18 LYS C C 13 179.428 0.100 . 1 . . . . 18 LYS C . 18092 1 198 . 1 1 18 18 LYS CA C 13 61.205 0.097 . 1 . . . . 18 LYS CA . 18092 1 199 . 1 1 18 18 LYS CB C 13 32.748 0.022 . 1 . . . . 18 LYS CB . 18092 1 200 . 1 1 18 18 LYS CD C 13 29.645 0.187 . 1 . . . . 18 LYS CD . 18092 1 201 . 1 1 18 18 LYS N N 15 121.121 0.033 . 1 . . . . 18 LYS N . 18092 1 202 . 1 1 19 19 LYS H H 1 7.788 0.003 . 1 . . . . 19 LYS HN . 18092 1 203 . 1 1 19 19 LYS HA H 1 3.793 0.004 . 1 . . . . 19 LYS HA . 18092 1 204 . 1 1 19 19 LYS HB3 H 1 1.743 0.050 . 1 . . . . 19 LYS HB3 . 18092 1 205 . 1 1 19 19 LYS HG2 H 1 1.152 0.004 . 2 . . . . 19 LYS HG2 . 18092 1 206 . 1 1 19 19 LYS HG3 H 1 1.225 0.006 . 1 . . . . 19 LYS HG3 . 18092 1 207 . 1 1 19 19 LYS HD2 H 1 1.401 0.001 . 2 . . . . 19 LYS HD2 . 18092 1 208 . 1 1 19 19 LYS HD3 H 1 1.418 0.003 . 2 . . . . 19 LYS HD3 . 18092 1 209 . 1 1 19 19 LYS HE2 H 1 2.681 0.006 . 2 . . . . 19 LYS HE2 . 18092 1 210 . 1 1 19 19 LYS HE3 H 1 2.788 0.002 . 2 . . . . 19 LYS HE3 . 18092 1 211 . 1 1 19 19 LYS C C 13 178.941 0.100 . 1 . . . . 19 LYS C . 18092 1 212 . 1 1 19 19 LYS CA C 13 59.417 0.041 . 1 . . . . 19 LYS CA . 18092 1 213 . 1 1 19 19 LYS CB C 13 32.364 0.068 . 1 . . . . 19 LYS CB . 18092 1 214 . 1 1 19 19 LYS CG C 13 24.829 0.029 . 1 . . . . 19 LYS CG . 18092 1 215 . 1 1 19 19 LYS N N 15 118.522 0.040 . 1 . . . . 19 LYS N . 18092 1 216 . 1 1 20 20 LEU H H 1 7.671 0.002 . 1 . . . . 20 LEU HN . 18092 1 217 . 1 1 20 20 LEU HA H 1 3.981 0.003 . 1 . . . . 20 LEU HA . 18092 1 218 . 1 1 20 20 LEU HB2 H 1 1.596 0.005 . 2 . . . . 20 LEU HB2 . 18092 1 219 . 1 1 20 20 LEU HB3 H 1 1.538 0.008 . 2 . . . . 20 LEU HB3 . 18092 1 220 . 1 1 20 20 LEU HG H 1 1.326 0.003 . 1 . . . . 20 LEU HG . 18092 1 221 . 1 1 20 20 LEU HD11 H 1 0.666 0.006 . 2 . . . . 20 LEU HD11 . 18092 1 222 . 1 1 20 20 LEU HD12 H 1 0.666 0.006 . 2 . . . . 20 LEU HD12 . 18092 1 223 . 1 1 20 20 LEU HD13 H 1 0.666 0.006 . 2 . . . . 20 LEU HD13 . 18092 1 224 . 1 1 20 20 LEU HD21 H 1 0.666 0.006 . 2 . . . . 20 LEU HD21 . 18092 1 225 . 1 1 20 20 LEU HD22 H 1 0.666 0.006 . 2 . . . . 20 LEU HD22 . 18092 1 226 . 1 1 20 20 LEU HD23 H 1 0.666 0.006 . 2 . . . . 20 LEU HD23 . 18092 1 227 . 1 1 20 20 LEU C C 13 178.854 0.100 . 1 . . . . 20 LEU C . 18092 1 228 . 1 1 20 20 LEU CA C 13 58.163 0.054 . 1 . . . . 20 LEU CA . 18092 1 229 . 1 1 20 20 LEU CB C 13 42.091 0.024 . 1 . . . . 20 LEU CB . 18092 1 230 . 1 1 20 20 LEU CG C 13 27.062 0.018 . 1 . . . . 20 LEU CG . 18092 1 231 . 1 1 20 20 LEU CD1 C 13 23.676 0.033 . 2 . . . . 20 LEU CD1 . 18092 1 232 . 1 1 20 20 LEU CD2 C 13 23.764 0.077 . 2 . . . . 20 LEU CD2 . 18092 1 233 . 1 1 20 20 LEU N N 15 122.414 0.021 . 1 . . . . 20 LEU N . 18092 1 234 . 1 1 21 21 ILE H H 1 8.596 0.005 . 1 . . . . 21 ILE HN . 18092 1 235 . 1 1 21 21 ILE HA H 1 3.250 0.007 . 1 . . . . 21 ILE HA . 18092 1 236 . 1 1 21 21 ILE HB H 1 1.727 0.023 . 1 . . . . 21 ILE HB . 18092 1 237 . 1 1 21 21 ILE HG12 H 1 1.754 0.011 . 2 . . . . 21 ILE HG12 . 18092 1 238 . 1 1 21 21 ILE HG13 H 1 1.813 0.006 . 2 . . . . 21 ILE HG13 . 18092 1 239 . 1 1 21 21 ILE HG21 H 1 0.773 0.005 . 1 . . . . 21 ILE HG21 . 18092 1 240 . 1 1 21 21 ILE HG22 H 1 0.773 0.005 . 1 . . . . 21 ILE HG22 . 18092 1 241 . 1 1 21 21 ILE HG23 H 1 0.773 0.005 . 1 . . . . 21 ILE HG23 . 18092 1 242 . 1 1 21 21 ILE HD11 H 1 0.753 0.003 . 1 . . . . 21 ILE HD11 . 18092 1 243 . 1 1 21 21 ILE HD12 H 1 0.753 0.003 . 1 . . . . 21 ILE HD12 . 18092 1 244 . 1 1 21 21 ILE HD13 H 1 0.753 0.003 . 1 . . . . 21 ILE HD13 . 18092 1 245 . 1 1 21 21 ILE C C 13 177.421 0.100 . 1 . . . . 21 ILE C . 18092 1 246 . 1 1 21 21 ILE CA C 13 66.679 0.108 . 1 . . . . 21 ILE CA . 18092 1 247 . 1 1 21 21 ILE CB C 13 38.501 0.036 . 1 . . . . 21 ILE CB . 18092 1 248 . 1 1 21 21 ILE CG2 C 13 17.709 0.044 . 1 . . . . 21 ILE CG2 . 18092 1 249 . 1 1 21 21 ILE CD1 C 13 14.862 0.095 . 1 . . . . 21 ILE CD1 . 18092 1 250 . 1 1 21 21 ILE N N 15 118.974 0.027 . 1 . . . . 21 ILE N . 18092 1 251 . 1 1 22 22 LYS H H 1 7.478 0.006 . 1 . . . . 22 LYS HN . 18092 1 252 . 1 1 22 22 LYS HA H 1 3.996 0.006 . 1 . . . . 22 LYS HA . 18092 1 253 . 1 1 22 22 LYS HB2 H 1 1.810 0.002 . 2 . . . . 22 LYS HB2 . 18092 1 254 . 1 1 22 22 LYS HB3 H 1 1.810 0.002 . 2 . . . . 22 LYS HB3 . 18092 1 255 . 1 1 22 22 LYS HD2 H 1 1.429 0.003 . 2 . . . . 22 LYS HD2 . 18092 1 256 . 1 1 22 22 LYS HD3 H 1 1.429 0.003 . 2 . . . . 22 LYS HD3 . 18092 1 257 . 1 1 22 22 LYS C C 13 179.476 0.100 . 1 . . . . 22 LYS C . 18092 1 258 . 1 1 22 22 LYS CA C 13 59.162 0.054 . 1 . . . . 22 LYS CA . 18092 1 259 . 1 1 22 22 LYS CB C 13 32.205 0.048 . 1 . . . . 22 LYS CB . 18092 1 260 . 1 1 22 22 LYS N N 15 117.209 0.030 . 1 . . . . 22 LYS N . 18092 1 261 . 1 1 23 23 SER H H 1 7.775 0.004 . 1 . . . . 23 SER HN . 18092 1 262 . 1 1 23 23 SER HA H 1 4.191 0.004 . 1 . . . . 23 SER HA . 18092 1 263 . 1 1 23 23 SER HB2 H 1 3.883 0.006 . 2 . . . . 23 SER HB2 . 18092 1 264 . 1 1 23 23 SER HB3 H 1 3.883 0.006 . 2 . . . . 23 SER HB3 . 18092 1 265 . 1 1 23 23 SER C C 13 176.806 0.100 . 1 . . . . 23 SER C . 18092 1 266 . 1 1 23 23 SER CA C 13 61.543 0.116 . 1 . . . . 23 SER CA . 18092 1 267 . 1 1 23 23 SER CB C 13 63.250 0.088 . 1 . . . . 23 SER CB . 18092 1 268 . 1 1 23 23 SER N N 15 114.414 0.039 . 1 . . . . 23 SER N . 18092 1 269 . 1 1 24 24 LEU H H 1 8.240 0.005 . 1 . . . . 24 LEU HN . 18092 1 270 . 1 1 24 24 LEU HA H 1 4.080 0.011 . 1 . . . . 24 LEU HA . 18092 1 271 . 1 1 24 24 LEU HB2 H 1 0.773 0.001 . 1 . . . . 24 LEU HB2 . 18092 1 272 . 1 1 24 24 LEU HB3 H 1 1.611 0.050 . 1 . . . . 24 LEU HB3 . 18092 1 273 . 1 1 24 24 LEU HG H 1 1.530 0.005 . 1 . . . . 24 LEU HG . 18092 1 274 . 1 1 24 24 LEU HD11 H 1 -0.101 0.007 . 1 . . . . 24 LEU HD11 . 18092 1 275 . 1 1 24 24 LEU HD12 H 1 -0.101 0.007 . 1 . . . . 24 LEU HD12 . 18092 1 276 . 1 1 24 24 LEU HD13 H 1 -0.101 0.007 . 1 . . . . 24 LEU HD13 . 18092 1 277 . 1 1 24 24 LEU HD21 H 1 0.034 0.007 . 1 . . . . 24 LEU HD21 . 18092 1 278 . 1 1 24 24 LEU HD22 H 1 0.034 0.007 . 1 . . . . 24 LEU HD22 . 18092 1 279 . 1 1 24 24 LEU HD23 H 1 0.034 0.007 . 1 . . . . 24 LEU HD23 . 18092 1 280 . 1 1 24 24 LEU C C 13 179.692 0.100 . 1 . . . . 24 LEU C . 18092 1 281 . 1 1 24 24 LEU CA C 13 57.267 0.078 . 1 . . . . 24 LEU CA . 18092 1 282 . 1 1 24 24 LEU CB C 13 42.285 0.100 . 1 . . . . 24 LEU CB . 18092 1 283 . 1 1 24 24 LEU CG C 13 26.181 0.016 . 1 . . . . 24 LEU CG . 18092 1 284 . 1 1 24 24 LEU CD1 C 13 26.080 0.080 . 1 . . . . 24 LEU CD1 . 18092 1 285 . 1 1 24 24 LEU CD2 C 13 21.755 0.039 . 1 . . . . 24 LEU CD2 . 18092 1 286 . 1 1 24 24 LEU N N 15 121.125 0.058 . 1 . . . . 24 LEU N . 18092 1 287 . 1 1 25 25 GLU H H 1 8.486 0.003 . 1 . . . . 25 GLU HN . 18092 1 288 . 1 1 25 25 GLU HA H 1 4.039 0.005 . 1 . . . . 25 GLU HA . 18092 1 289 . 1 1 25 25 GLU HB2 H 1 1.973 0.011 . 1 . . . . 25 GLU HB2 . 18092 1 290 . 1 1 25 25 GLU HB3 H 1 2.068 0.009 . 1 . . . . 25 GLU HB3 . 18092 1 291 . 1 1 25 25 GLU HG2 H 1 2.237 0.005 . 2 . . . . 25 GLU HG2 . 18092 1 292 . 1 1 25 25 GLU HG3 H 1 2.338 0.005 . 2 . . . . 25 GLU HG3 . 18092 1 293 . 1 1 25 25 GLU C C 13 177.178 0.100 . 1 . . . . 25 GLU C . 18092 1 294 . 1 1 25 25 GLU CA C 13 59.078 0.025 . 1 . . . . 25 GLU CA . 18092 1 295 . 1 1 25 25 GLU CB C 13 29.918 0.013 . 1 . . . . 25 GLU CB . 18092 1 296 . 1 1 25 25 GLU N N 15 119.429 0.039 . 1 . . . . 25 GLU N . 18092 1 297 . 1 1 26 26 ALA H H 1 7.304 0.004 . 1 . . . . 26 ALA HN . 18092 1 298 . 1 1 26 26 ALA HA H 1 4.281 0.007 . 1 . . . . 26 ALA HA . 18092 1 299 . 1 1 26 26 ALA HB1 H 1 1.423 0.007 . 1 . . . . 26 ALA HB1 . 18092 1 300 . 1 1 26 26 ALA HB2 H 1 1.423 0.007 . 1 . . . . 26 ALA HB2 . 18092 1 301 . 1 1 26 26 ALA HB3 H 1 1.423 0.007 . 1 . . . . 26 ALA HB3 . 18092 1 302 . 1 1 26 26 ALA C C 13 177.477 0.100 . 1 . . . . 26 ALA C . 18092 1 303 . 1 1 26 26 ALA CA C 13 52.454 0.049 . 1 . . . . 26 ALA CA . 18092 1 304 . 1 1 26 26 ALA CB C 13 19.612 0.047 . 1 . . . . 26 ALA CB . 18092 1 305 . 1 1 26 26 ALA N N 15 118.498 0.034 . 1 . . . . 26 ALA N . 18092 1 306 . 1 1 27 27 ALA H H 1 6.990 0.003 . 1 . . . . 27 ALA HN . 18092 1 307 . 1 1 27 27 ALA HA H 1 4.215 0.005 . 1 . . . . 27 ALA HA . 18092 1 308 . 1 1 27 27 ALA HB1 H 1 1.441 0.009 . 1 . . . . 27 ALA HB1 . 18092 1 309 . 1 1 27 27 ALA HB2 H 1 1.441 0.009 . 1 . . . . 27 ALA HB2 . 18092 1 310 . 1 1 27 27 ALA HB3 H 1 1.441 0.009 . 1 . . . . 27 ALA HB3 . 18092 1 311 . 1 1 27 27 ALA C C 13 177.232 0.100 . 1 . . . . 27 ALA C . 18092 1 312 . 1 1 27 27 ALA CA C 13 52.896 0.051 . 1 . . . . 27 ALA CA . 18092 1 313 . 1 1 27 27 ALA CB C 13 19.758 0.040 . 1 . . . . 27 ALA CB . 18092 1 314 . 1 1 27 27 ALA N N 15 120.789 0.032 . 1 . . . . 27 ALA N . 18092 1 315 . 1 1 28 28 ARG H H 1 8.809 0.004 . 1 . . . . 28 ARG HN . 18092 1 316 . 1 1 28 28 ARG HA H 1 4.723 0.011 . 1 . . . . 28 ARG HA . 18092 1 317 . 1 1 28 28 ARG HB2 H 1 1.826 0.003 . 2 . . . . 28 ARG HB2 . 18092 1 318 . 1 1 28 28 ARG HB3 H 1 1.826 0.003 . 2 . . . . 28 ARG HB3 . 18092 1 319 . 1 1 28 28 ARG HG2 H 1 1.618 0.003 . 2 . . . . 28 ARG HG2 . 18092 1 320 . 1 1 28 28 ARG HG3 H 1 1.618 0.003 . 2 . . . . 28 ARG HG3 . 18092 1 321 . 1 1 28 28 ARG HD2 H 1 3.111 0.012 . 2 . . . . 28 ARG HD2 . 18092 1 322 . 1 1 28 28 ARG HD3 H 1 3.324 0.004 . 2 . . . . 28 ARG HD3 . 18092 1 323 . 1 1 28 28 ARG C C 13 174.914 0.100 . 1 . . . . 28 ARG C . 18092 1 324 . 1 1 28 28 ARG CA C 13 54.436 0.070 . 1 . . . . 28 ARG CA . 18092 1 325 . 1 1 28 28 ARG CB C 13 33.674 0.053 . 1 . . . . 28 ARG CB . 18092 1 326 . 1 1 28 28 ARG CG C 13 26.544 0.093 . 1 . . . . 28 ARG CG . 18092 1 327 . 1 1 28 28 ARG CD C 13 43.471 0.027 . 1 . . . . 28 ARG CD . 18092 1 328 . 1 1 28 28 ARG N N 15 123.612 0.031 . 1 . . . . 28 ARG N . 18092 1 329 . 1 1 29 29 GLY H H 1 8.120 0.006 . 1 . . . . 29 GLY HN . 18092 1 330 . 1 1 29 29 GLY HA2 H 1 3.679 0.006 . 2 . . . . 29 GLY HA2 . 18092 1 331 . 1 1 29 29 GLY HA3 H 1 4.421 0.008 . 2 . . . . 29 GLY HA3 . 18092 1 332 . 1 1 29 29 GLY C C 13 173.701 0.100 . 1 . . . . 29 GLY C . 18092 1 333 . 1 1 29 29 GLY CA C 13 44.898 0.111 . 1 . . . . 29 GLY CA . 18092 1 334 . 1 1 29 29 GLY N N 15 108.834 0.037 . 1 . . . . 29 GLY N . 18092 1 335 . 1 1 30 30 ASN H H 1 8.510 0.004 . 1 . . . . 30 ASN HN . 18092 1 336 . 1 1 30 30 ASN HA H 1 4.809 0.005 . 1 . . . . 30 ASN HA . 18092 1 337 . 1 1 30 30 ASN HB2 H 1 2.526 0.004 . 1 . . . . 30 ASN HB2 . 18092 1 338 . 1 1 30 30 ASN HB3 H 1 2.647 0.009 . 1 . . . . 30 ASN HB3 . 18092 1 339 . 1 1 30 30 ASN HD21 H 1 6.745 0.004 . 2 . . . . 30 ASN HD21 . 18092 1 340 . 1 1 30 30 ASN HD22 H 1 7.571 0.004 . 2 . . . . 30 ASN HD22 . 18092 1 341 . 1 1 30 30 ASN C C 13 175.416 0.100 . 1 . . . . 30 ASN C . 18092 1 342 . 1 1 30 30 ASN CA C 13 52.220 0.065 . 1 . . . . 30 ASN CA . 18092 1 343 . 1 1 30 30 ASN CB C 13 38.552 0.041 . 1 . . . . 30 ASN CB . 18092 1 344 . 1 1 30 30 ASN N N 15 119.448 0.026 . 1 . . . . 30 ASN N . 18092 1 345 . 1 1 30 30 ASN ND2 N 15 112.103 0.030 . 1 . . . . 30 ASN ND2 . 18092 1 346 . 1 1 31 31 GLY H H 1 8.155 0.003 . 1 . . . . 31 GLY HN . 18092 1 347 . 1 1 31 31 GLY HA2 H 1 3.775 0.008 . 2 . . . . 31 GLY HA2 . 18092 1 348 . 1 1 31 31 GLY HA3 H 1 3.994 0.007 . 2 . . . . 31 GLY HA3 . 18092 1 349 . 1 1 31 31 GLY C C 13 174.136 0.100 . 1 . . . . 31 GLY C . 18092 1 350 . 1 1 31 31 GLY CA C 13 45.545 0.041 . 1 . . . . 31 GLY CA . 18092 1 351 . 1 1 31 31 GLY N N 15 110.112 0.034 . 1 . . . . 31 GLY N . 18092 1 352 . 1 1 32 32 THR H H 1 8.125 0.005 . 1 . . . . 32 THR HN . 18092 1 353 . 1 1 32 32 THR HA H 1 3.967 0.011 . 1 . . . . 32 THR HA . 18092 1 354 . 1 1 32 32 THR HB H 1 4.196 0.007 . 1 . . . . 32 THR HB . 18092 1 355 . 1 1 32 32 THR HG21 H 1 1.111 0.004 . 1 . . . . 32 THR HG21 . 18092 1 356 . 1 1 32 32 THR HG22 H 1 1.111 0.004 . 1 . . . . 32 THR HG22 . 18092 1 357 . 1 1 32 32 THR HG23 H 1 1.111 0.004 . 1 . . . . 32 THR HG23 . 18092 1 358 . 1 1 32 32 THR C C 13 174.404 0.100 . 1 . . . . 32 THR C . 18092 1 359 . 1 1 32 32 THR CA C 13 59.937 0.108 . 1 . . . . 32 THR CA . 18092 1 360 . 1 1 32 32 THR CB C 13 68.757 0.066 . 1 . . . . 32 THR CB . 18092 1 361 . 1 1 32 32 THR CG2 C 13 21.668 0.198 . 1 . . . . 32 THR CG2 . 18092 1 362 . 1 1 32 32 THR N N 15 113.361 0.105 . 1 . . . . 32 THR N . 18092 1 363 . 1 1 33 33 SER H H 1 7.667 0.004 . 1 . . . . 33 SER HN . 18092 1 364 . 1 1 33 33 SER HA H 1 4.416 0.009 . 1 . . . . 33 SER HA . 18092 1 365 . 1 1 33 33 SER HB2 H 1 3.546 0.006 . 2 . . . . 33 SER HB2 . 18092 1 366 . 1 1 33 33 SER HB3 H 1 3.546 0.006 . 2 . . . . 33 SER HB3 . 18092 1 367 . 1 1 33 33 SER C C 13 173.497 0.100 . 1 . . . . 33 SER C . 18092 1 368 . 1 1 33 33 SER CA C 13 58.010 0.048 . 1 . . . . 33 SER CA . 18092 1 369 . 1 1 33 33 SER CB C 13 64.866 0.078 . 1 . . . . 33 SER CB . 18092 1 370 . 1 1 33 33 SER N N 15 114.669 0.044 . 1 . . . . 33 SER N . 18092 1 371 . 1 1 34 34 MET H H 1 8.615 0.004 . 1 . . . . 34 MET HN . 18092 1 372 . 1 1 34 34 MET HA H 1 4.854 0.009 . 1 . . . . 34 MET HA . 18092 1 373 . 1 1 34 34 MET HB2 H 1 1.187 0.007 . 1 . . . . 34 MET HB2 . 18092 1 374 . 1 1 34 34 MET HB3 H 1 1.450 0.007 . 1 . . . . 34 MET HB3 . 18092 1 375 . 1 1 34 34 MET HG2 H 1 1.679 0.016 . 2 . . . . 34 MET HG2 . 18092 1 376 . 1 1 34 34 MET HG3 H 1 1.781 0.006 . 2 . . . . 34 MET HG3 . 18092 1 377 . 1 1 34 34 MET HE1 H 1 0.888 0.011 . 1 . . . . 34 MET HE1 . 18092 1 378 . 1 1 34 34 MET HE2 H 1 0.888 0.011 . 1 . . . . 34 MET HE2 . 18092 1 379 . 1 1 34 34 MET HE3 H 1 0.888 0.011 . 1 . . . . 34 MET HE3 . 18092 1 380 . 1 1 34 34 MET C C 13 175.284 0.100 . 1 . . . . 34 MET C . 18092 1 381 . 1 1 34 34 MET CA C 13 55.196 0.100 . 1 . . . . 34 MET CA . 18092 1 382 . 1 1 34 34 MET CB C 13 35.093 0.086 . 1 . . . . 34 MET CB . 18092 1 383 . 1 1 34 34 MET CE C 13 17.924 0.010 . 1 . . . . 34 MET CE . 18092 1 384 . 1 1 34 34 MET N N 15 120.948 0.048 . 1 . . . . 34 MET N . 18092 1 385 . 1 1 35 35 ILE H H 1 9.686 0.004 . 1 . . . . 35 ILE HN . 18092 1 386 . 1 1 35 35 ILE HA H 1 5.122 0.012 . 1 . . . . 35 ILE HA . 18092 1 387 . 1 1 35 35 ILE HB H 1 1.836 0.017 . 1 . . . . 35 ILE HB . 18092 1 388 . 1 1 35 35 ILE HG12 H 1 1.183 0.006 . 2 . . . . 35 ILE HG12 . 18092 1 389 . 1 1 35 35 ILE HG13 H 1 1.655 0.006 . 2 . . . . 35 ILE HG13 . 18092 1 390 . 1 1 35 35 ILE HG21 H 1 0.909 0.004 . 1 . . . . 35 ILE HG21 . 18092 1 391 . 1 1 35 35 ILE HG22 H 1 0.909 0.004 . 1 . . . . 35 ILE HG22 . 18092 1 392 . 1 1 35 35 ILE HG23 H 1 0.909 0.004 . 1 . . . . 35 ILE HG23 . 18092 1 393 . 1 1 35 35 ILE HD11 H 1 0.926 0.010 . 1 . . . . 35 ILE HD11 . 18092 1 394 . 1 1 35 35 ILE HD12 H 1 0.926 0.010 . 1 . . . . 35 ILE HD12 . 18092 1 395 . 1 1 35 35 ILE HD13 H 1 0.926 0.010 . 1 . . . . 35 ILE HD13 . 18092 1 396 . 1 1 35 35 ILE C C 13 175.207 0.100 . 1 . . . . 35 ILE C . 18092 1 397 . 1 1 35 35 ILE CA C 13 60.899 0.064 . 1 . . . . 35 ILE CA . 18092 1 398 . 1 1 35 35 ILE CB C 13 40.734 0.048 . 1 . . . . 35 ILE CB . 18092 1 399 . 1 1 35 35 ILE CG2 C 13 18.294 0.146 . 1 . . . . 35 ILE CG2 . 18092 1 400 . 1 1 35 35 ILE CD1 C 13 14.290 0.027 . 1 . . . . 35 ILE CD1 . 18092 1 401 . 1 1 35 35 ILE N N 15 126.234 0.035 . 1 . . . . 35 ILE N . 18092 1 402 . 1 1 36 36 SER H H 1 8.498 0.004 . 1 . . . . 36 SER HN . 18092 1 403 . 1 1 36 36 SER HA H 1 5.037 0.016 . 1 . . . . 36 SER HA . 18092 1 404 . 1 1 36 36 SER HB2 H 1 3.902 0.011 . 2 . . . . 36 SER HB2 . 18092 1 405 . 1 1 36 36 SER HB3 H 1 3.902 0.011 . 2 . . . . 36 SER HB3 . 18092 1 406 . 1 1 36 36 SER C C 13 171.306 0.100 . 1 . . . . 36 SER C . 18092 1 407 . 1 1 36 36 SER CA C 13 57.498 0.066 . 1 . . . . 36 SER CA . 18092 1 408 . 1 1 36 36 SER CB C 13 65.124 0.159 . 1 . . . . 36 SER CB . 18092 1 409 . 1 1 36 36 SER N N 15 122.010 0.061 . 1 . . . . 36 SER N . 18092 1 410 . 1 1 37 37 LEU H H 1 8.806 0.005 . 1 . . . . 37 LEU HN . 18092 1 411 . 1 1 37 37 LEU HA H 1 5.293 0.021 . 1 . . . . 37 LEU HA . 18092 1 412 . 1 1 37 37 LEU HB2 H 1 1.211 0.013 . 1 . . . . 37 LEU HB2 . 18092 1 413 . 1 1 37 37 LEU HB3 H 1 1.835 0.009 . 1 . . . . 37 LEU HB3 . 18092 1 414 . 1 1 37 37 LEU HG H 1 1.362 0.006 . 1 . . . . 37 LEU HG . 18092 1 415 . 1 1 37 37 LEU HD11 H 1 1.043 0.007 . 1 . . . . 37 LEU HD11 . 18092 1 416 . 1 1 37 37 LEU HD12 H 1 1.043 0.007 . 1 . . . . 37 LEU HD12 . 18092 1 417 . 1 1 37 37 LEU HD13 H 1 1.043 0.007 . 1 . . . . 37 LEU HD13 . 18092 1 418 . 1 1 37 37 LEU HD21 H 1 0.716 0.005 . 1 . . . . 37 LEU HD21 . 18092 1 419 . 1 1 37 37 LEU HD22 H 1 0.716 0.005 . 1 . . . . 37 LEU HD22 . 18092 1 420 . 1 1 37 37 LEU HD23 H 1 0.716 0.005 . 1 . . . . 37 LEU HD23 . 18092 1 421 . 1 1 37 37 LEU C C 13 172.950 0.100 . 1 . . . . 37 LEU C . 18092 1 422 . 1 1 37 37 LEU CA C 13 53.657 0.070 . 1 . . . . 37 LEU CA . 18092 1 423 . 1 1 37 37 LEU CB C 13 45.572 0.052 . 1 . . . . 37 LEU CB . 18092 1 424 . 1 1 37 37 LEU CD1 C 13 24.308 0.071 . 1 . . . . 37 LEU CD1 . 18092 1 425 . 1 1 37 37 LEU CD2 C 13 27.665 0.058 . 1 . . . . 37 LEU CD2 . 18092 1 426 . 1 1 37 37 LEU N N 15 127.653 0.035 . 1 . . . . 37 LEU N . 18092 1 427 . 1 1 38 38 ILE H H 1 9.214 0.004 . 1 . . . . 38 ILE HN . 18092 1 428 . 1 1 38 38 ILE HA H 1 4.613 0.007 . 1 . . . . 38 ILE HA . 18092 1 429 . 1 1 38 38 ILE HB H 1 1.588 0.007 . 1 . . . . 38 ILE HB . 18092 1 430 . 1 1 38 38 ILE HG13 H 1 0.974 0.007 . 2 . . . . 38 ILE HG13 . 18092 1 431 . 1 1 38 38 ILE HG21 H 1 0.667 0.007 . 1 . . . . 38 ILE HG21 . 18092 1 432 . 1 1 38 38 ILE HG22 H 1 0.667 0.007 . 1 . . . . 38 ILE HG22 . 18092 1 433 . 1 1 38 38 ILE HG23 H 1 0.667 0.007 . 1 . . . . 38 ILE HG23 . 18092 1 434 . 1 1 38 38 ILE HD11 H 1 0.714 0.004 . 1 . . . . 38 ILE HD11 . 18092 1 435 . 1 1 38 38 ILE HD12 H 1 0.714 0.004 . 1 . . . . 38 ILE HD12 . 18092 1 436 . 1 1 38 38 ILE HD13 H 1 0.714 0.004 . 1 . . . . 38 ILE HD13 . 18092 1 437 . 1 1 38 38 ILE C C 13 175.091 0.100 . 1 . . . . 38 ILE C . 18092 1 438 . 1 1 38 38 ILE CA C 13 60.956 0.065 . 1 . . . . 38 ILE CA . 18092 1 439 . 1 1 38 38 ILE CB C 13 40.197 0.077 . 1 . . . . 38 ILE CB . 18092 1 440 . 1 1 38 38 ILE CG2 C 13 18.502 0.067 . 1 . . . . 38 ILE CG2 . 18092 1 441 . 1 1 38 38 ILE CD1 C 13 13.641 0.085 . 1 . . . . 38 ILE CD1 . 18092 1 442 . 1 1 38 38 ILE N N 15 125.925 0.051 . 1 . . . . 38 ILE N . 18092 1 443 . 1 1 39 39 ILE H H 1 9.232 0.005 . 1 . . . . 39 ILE HN . 18092 1 444 . 1 1 39 39 ILE HA H 1 4.543 0.007 . 1 . . . . 39 ILE HA . 18092 1 445 . 1 1 39 39 ILE HB H 1 1.759 0.009 . 1 . . . . 39 ILE HB . 18092 1 446 . 1 1 39 39 ILE HG12 H 1 0.805 0.008 . 2 . . . . 39 ILE HG12 . 18092 1 447 . 1 1 39 39 ILE HG13 H 1 1.404 0.007 . 2 . . . . 39 ILE HG13 . 18092 1 448 . 1 1 39 39 ILE HG21 H 1 0.894 0.007 . 1 . . . . 39 ILE HG21 . 18092 1 449 . 1 1 39 39 ILE HG22 H 1 0.894 0.007 . 1 . . . . 39 ILE HG22 . 18092 1 450 . 1 1 39 39 ILE HG23 H 1 0.894 0.007 . 1 . . . . 39 ILE HG23 . 18092 1 451 . 1 1 39 39 ILE HD11 H 1 0.629 0.005 . 1 . . . . 39 ILE HD11 . 18092 1 452 . 1 1 39 39 ILE HD12 H 1 0.629 0.005 . 1 . . . . 39 ILE HD12 . 18092 1 453 . 1 1 39 39 ILE HD13 H 1 0.629 0.005 . 1 . . . . 39 ILE HD13 . 18092 1 454 . 1 1 39 39 ILE CA C 13 57.776 0.035 . 1 . . . . 39 ILE CA . 18092 1 455 . 1 1 39 39 ILE CB C 13 40.878 0.100 . 1 . . . . 39 ILE CB . 18092 1 456 . 1 1 39 39 ILE CD1 C 13 15.120 0.075 . 1 . . . . 39 ILE CD1 . 18092 1 457 . 1 1 39 39 ILE N N 15 129.218 0.038 . 1 . . . . 39 ILE N . 18092 1 458 . 1 1 40 40 PRO HA H 1 4.869 0.011 . 1 . . . . 40 PRO HA . 18092 1 459 . 1 1 40 40 PRO HB2 H 1 2.080 0.003 . 2 . . . . 40 PRO HB2 . 18092 1 460 . 1 1 40 40 PRO HB3 H 1 2.080 0.003 . 2 . . . . 40 PRO HB3 . 18092 1 461 . 1 1 40 40 PRO HG2 H 1 1.796 0.202 . 2 . . . . 40 PRO HG2 . 18092 1 462 . 1 1 40 40 PRO HG3 H 1 1.796 0.202 . 2 . . . . 40 PRO HG3 . 18092 1 463 . 1 1 40 40 PRO HD2 H 1 3.708 0.013 . 2 . . . . 40 PRO HD2 . 18092 1 464 . 1 1 40 40 PRO HD3 H 1 4.037 0.015 . 2 . . . . 40 PRO HD3 . 18092 1 465 . 1 1 40 40 PRO CA C 13 61.994 0.083 . 1 . . . . 40 PRO CA . 18092 1 466 . 1 1 40 40 PRO CB C 13 31.303 0.046 . 1 . . . . 40 PRO CB . 18092 1 467 . 1 1 40 40 PRO CD C 13 50.727 0.055 . 1 . . . . 40 PRO CD . 18092 1 468 . 1 1 41 41 PRO HA H 1 3.950 0.006 . 1 . . . . 41 PRO HA . 18092 1 469 . 1 1 41 41 PRO HB2 H 1 1.759 0.004 . 2 . . . . 41 PRO HB2 . 18092 1 470 . 1 1 41 41 PRO HB3 H 1 2.463 0.015 . 2 . . . . 41 PRO HB3 . 18092 1 471 . 1 1 41 41 PRO HD2 H 1 3.510 0.009 . 2 . . . . 41 PRO HD2 . 18092 1 472 . 1 1 41 41 PRO HD3 H 1 3.645 0.008 . 2 . . . . 41 PRO HD3 . 18092 1 473 . 1 1 41 41 PRO C C 13 177.569 0.100 . 1 . . . . 41 PRO C . 18092 1 474 . 1 1 41 41 PRO CA C 13 64.434 0.123 . 1 . . . . 41 PRO CA . 18092 1 475 . 1 1 41 41 PRO CB C 13 32.614 0.091 . 1 . . . . 41 PRO CB . 18092 1 476 . 1 1 41 41 PRO CD C 13 50.551 0.036 . 1 . . . . 41 PRO CD . 18092 1 477 . 1 1 42 42 LYS H H 1 8.104 0.005 . 1 . . . . 42 LYS HN . 18092 1 478 . 1 1 42 42 LYS HA H 1 4.084 0.009 . 1 . . . . 42 LYS HA . 18092 1 479 . 1 1 42 42 LYS HB2 H 1 1.922 0.001 . 2 . . . . 42 LYS HB2 . 18092 1 480 . 1 1 42 42 LYS HB3 H 1 1.922 0.001 . 2 . . . . 42 LYS HB3 . 18092 1 481 . 1 1 42 42 LYS HG2 H 1 1.319 0.001 . 2 . . . . 42 LYS HG2 . 18092 1 482 . 1 1 42 42 LYS HG3 H 1 1.319 0.001 . 2 . . . . 42 LYS HG3 . 18092 1 483 . 1 1 42 42 LYS HD2 H 1 1.735 0.050 . 2 . . . . 42 LYS HD2 . 18092 1 484 . 1 1 42 42 LYS HD3 H 1 1.735 0.050 . 2 . . . . 42 LYS HD3 . 18092 1 485 . 1 1 42 42 LYS HE2 H 1 2.962 0.050 . 2 . . . . 42 LYS HE2 . 18092 1 486 . 1 1 42 42 LYS HE3 H 1 3.109 0.050 . 2 . . . . 42 LYS HE3 . 18092 1 487 . 1 1 42 42 LYS C C 13 176.121 0.100 . 1 . . . . 42 LYS C . 18092 1 488 . 1 1 42 42 LYS CA C 13 57.229 0.060 . 1 . . . . 42 LYS CA . 18092 1 489 . 1 1 42 42 LYS CB C 13 30.887 0.034 . 1 . . . . 42 LYS CB . 18092 1 490 . 1 1 42 42 LYS N N 15 112.826 0.037 . 1 . . . . 42 LYS N . 18092 1 491 . 1 1 43 43 ASP H H 1 7.447 0.003 . 1 . . . . 43 ASP HN . 18092 1 492 . 1 1 43 43 ASP HA H 1 4.637 0.003 . 1 . . . . 43 ASP HA . 18092 1 493 . 1 1 43 43 ASP HB2 H 1 2.537 0.002 . 2 . . . . 43 ASP HB2 . 18092 1 494 . 1 1 43 43 ASP HB3 H 1 2.588 0.004 . 2 . . . . 43 ASP HB3 . 18092 1 495 . 1 1 43 43 ASP C C 13 174.193 0.100 . 1 . . . . 43 ASP C . 18092 1 496 . 1 1 43 43 ASP CA C 13 53.122 0.018 . 1 . . . . 43 ASP CA . 18092 1 497 . 1 1 43 43 ASP CB C 13 42.691 0.071 . 1 . . . . 43 ASP CB . 18092 1 498 . 1 1 43 43 ASP N N 15 121.025 0.029 . 1 . . . . 43 ASP N . 18092 1 499 . 1 1 44 44 GLN H H 1 9.400 0.003 . 1 . . . . 44 GLN HN . 18092 1 500 . 1 1 44 44 GLN HA H 1 4.677 0.006 . 1 . . . . 44 GLN HA . 18092 1 501 . 1 1 44 44 GLN HB2 H 1 2.193 0.004 . 1 . . . . 44 GLN HB2 . 18092 1 502 . 1 1 44 44 GLN HB3 H 1 1.817 0.002 . 1 . . . . 44 GLN HB3 . 18092 1 503 . 1 1 44 44 GLN HG2 H 1 2.392 0.002 . 2 . . . . 44 GLN HG2 . 18092 1 504 . 1 1 44 44 GLN HG3 H 1 2.392 0.002 . 2 . . . . 44 GLN HG3 . 18092 1 505 . 1 1 44 44 GLN HE21 H 1 7.443 0.002 . 2 . . . . 44 GLN HE21 . 18092 1 506 . 1 1 44 44 GLN HE22 H 1 6.787 0.003 . 2 . . . . 44 GLN HE22 . 18092 1 507 . 1 1 44 44 GLN C C 13 176.893 0.100 . 1 . . . . 44 GLN C . 18092 1 508 . 1 1 44 44 GLN CA C 13 54.323 0.068 . 1 . . . . 44 GLN CA . 18092 1 509 . 1 1 44 44 GLN CB C 13 31.922 0.057 . 1 . . . . 44 GLN CB . 18092 1 510 . 1 1 44 44 GLN N N 15 116.980 0.043 . 1 . . . . 44 GLN N . 18092 1 511 . 1 1 44 44 GLN NE2 N 15 112.745 0.046 . 1 . . . . 44 GLN NE2 . 18092 1 512 . 1 1 45 45 ILE H H 1 8.896 0.005 . 1 . . . . 45 ILE HN . 18092 1 513 . 1 1 45 45 ILE HA H 1 3.500 0.004 . 1 . . . . 45 ILE HA . 18092 1 514 . 1 1 45 45 ILE HB H 1 1.828 0.003 . 1 . . . . 45 ILE HB . 18092 1 515 . 1 1 45 45 ILE HG12 H 1 1.292 0.004 . 2 . . . . 45 ILE HG12 . 18092 1 516 . 1 1 45 45 ILE HG13 H 1 1.292 0.004 . 2 . . . . 45 ILE HG13 . 18092 1 517 . 1 1 45 45 ILE HG21 H 1 0.857 0.005 . 1 . . . . 45 ILE HG21 . 18092 1 518 . 1 1 45 45 ILE HG22 H 1 0.857 0.005 . 1 . . . . 45 ILE HG22 . 18092 1 519 . 1 1 45 45 ILE HG23 H 1 0.857 0.005 . 1 . . . . 45 ILE HG23 . 18092 1 520 . 1 1 45 45 ILE HD11 H 1 0.508 0.006 . 1 . . . . 45 ILE HD11 . 18092 1 521 . 1 1 45 45 ILE HD12 H 1 0.508 0.006 . 1 . . . . 45 ILE HD12 . 18092 1 522 . 1 1 45 45 ILE HD13 H 1 0.508 0.006 . 1 . . . . 45 ILE HD13 . 18092 1 523 . 1 1 45 45 ILE C C 13 177.372 0.100 . 1 . . . . 45 ILE C . 18092 1 524 . 1 1 45 45 ILE CA C 13 63.637 0.116 . 1 . . . . 45 ILE CA . 18092 1 525 . 1 1 45 45 ILE CB C 13 36.651 0.100 . 1 . . . . 45 ILE CB . 18092 1 526 . 1 1 45 45 ILE CG2 C 13 17.620 0.075 . 1 . . . . 45 ILE CG2 . 18092 1 527 . 1 1 45 45 ILE CD1 C 13 11.397 0.034 . 1 . . . . 45 ILE CD1 . 18092 1 528 . 1 1 45 45 ILE N N 15 126.367 0.032 . 1 . . . . 45 ILE N . 18092 1 529 . 1 1 46 46 SER H H 1 8.564 0.004 . 1 . . . . 46 SER HN . 18092 1 530 . 1 1 46 46 SER HA H 1 4.087 0.006 . 1 . . . . 46 SER HA . 18092 1 531 . 1 1 46 46 SER HB2 H 1 3.844 0.014 . 2 . . . . 46 SER HB2 . 18092 1 532 . 1 1 46 46 SER HB3 H 1 3.844 0.014 . 2 . . . . 46 SER HB3 . 18092 1 533 . 1 1 46 46 SER C C 13 176.989 0.100 . 1 . . . . 46 SER C . 18092 1 534 . 1 1 46 46 SER CA C 13 61.133 0.031 . 1 . . . . 46 SER CA . 18092 1 535 . 1 1 46 46 SER CB C 13 62.080 0.026 . 1 . . . . 46 SER CB . 18092 1 536 . 1 1 46 46 SER N N 15 113.117 0.036 . 1 . . . . 46 SER N . 18092 1 537 . 1 1 47 47 ARG H H 1 6.954 0.002 . 1 . . . . 47 ARG HN . 18092 1 538 . 1 1 47 47 ARG HA H 1 4.018 0.005 . 1 . . . . 47 ARG HA . 18092 1 539 . 1 1 47 47 ARG HB2 H 1 1.947 0.007 . 1 . . . . 47 ARG HB2 . 18092 1 540 . 1 1 47 47 ARG HB3 H 1 2.089 0.015 . 1 . . . . 47 ARG HB3 . 18092 1 541 . 1 1 47 47 ARG HG2 H 1 1.470 0.007 . 2 . . . . 47 ARG HG2 . 18092 1 542 . 1 1 47 47 ARG HG3 H 1 1.710 0.007 . 2 . . . . 47 ARG HG3 . 18092 1 543 . 1 1 47 47 ARG HD2 H 1 3.029 0.004 . 2 . . . . 47 ARG HD2 . 18092 1 544 . 1 1 47 47 ARG HD3 H 1 3.339 0.006 . 2 . . . . 47 ARG HD3 . 18092 1 545 . 1 1 47 47 ARG C C 13 179.098 0.100 . 1 . . . . 47 ARG C . 18092 1 546 . 1 1 47 47 ARG CA C 13 59.446 0.095 . 1 . . . . 47 ARG CA . 18092 1 547 . 1 1 47 47 ARG CB C 13 30.474 0.028 . 1 . . . . 47 ARG CB . 18092 1 548 . 1 1 47 47 ARG CG C 13 27.145 0.061 . 1 . . . . 47 ARG CG . 18092 1 549 . 1 1 47 47 ARG CD C 13 42.312 0.040 . 1 . . . . 47 ARG CD . 18092 1 550 . 1 1 47 47 ARG N N 15 123.926 0.022 . 1 . . . . 47 ARG N . 18092 1 551 . 1 1 48 48 VAL H H 1 7.390 0.003 . 1 . . . . 48 VAL HN . 18092 1 552 . 1 1 48 48 VAL HA H 1 3.405 0.009 . 1 . . . . 48 VAL HA . 18092 1 553 . 1 1 48 48 VAL HB H 1 2.033 0.004 . 1 . . . . 48 VAL HB . 18092 1 554 . 1 1 48 48 VAL HG11 H 1 0.941 0.007 . 1 . . . . 48 VAL HG11 . 18092 1 555 . 1 1 48 48 VAL HG12 H 1 0.941 0.007 . 1 . . . . 48 VAL HG12 . 18092 1 556 . 1 1 48 48 VAL HG13 H 1 0.941 0.007 . 1 . . . . 48 VAL HG13 . 18092 1 557 . 1 1 48 48 VAL HG21 H 1 0.810 0.008 . 1 . . . . 48 VAL HG21 . 18092 1 558 . 1 1 48 48 VAL HG22 H 1 0.810 0.008 . 1 . . . . 48 VAL HG22 . 18092 1 559 . 1 1 48 48 VAL HG23 H 1 0.810 0.008 . 1 . . . . 48 VAL HG23 . 18092 1 560 . 1 1 48 48 VAL C C 13 177.354 0.100 . 1 . . . . 48 VAL C . 18092 1 561 . 1 1 48 48 VAL CA C 13 66.410 0.088 . 1 . . . . 48 VAL CA . 18092 1 562 . 1 1 48 48 VAL CB C 13 32.028 0.049 . 1 . . . . 48 VAL CB . 18092 1 563 . 1 1 48 48 VAL CG1 C 13 22.365 0.004 . 1 . . . . 48 VAL CG1 . 18092 1 564 . 1 1 48 48 VAL CG2 C 13 22.734 0.035 . 1 . . . . 48 VAL CG2 . 18092 1 565 . 1 1 48 48 VAL N N 15 121.478 0.032 . 1 . . . . 48 VAL N . 18092 1 566 . 1 1 49 49 ALA H H 1 8.867 0.002 . 1 . . . . 49 ALA HN . 18092 1 567 . 1 1 49 49 ALA HA H 1 3.941 0.004 . 1 . . . . 49 ALA HA . 18092 1 568 . 1 1 49 49 ALA HB1 H 1 1.365 0.003 . 1 . . . . 49 ALA HB1 . 18092 1 569 . 1 1 49 49 ALA HB2 H 1 1.365 0.003 . 1 . . . . 49 ALA HB2 . 18092 1 570 . 1 1 49 49 ALA HB3 H 1 1.365 0.003 . 1 . . . . 49 ALA HB3 . 18092 1 571 . 1 1 49 49 ALA C C 13 180.710 0.100 . 1 . . . . 49 ALA C . 18092 1 572 . 1 1 49 49 ALA CA C 13 55.665 0.044 . 1 . . . . 49 ALA CA . 18092 1 573 . 1 1 49 49 ALA CB C 13 18.289 0.065 . 1 . . . . 49 ALA CB . 18092 1 574 . 1 1 49 49 ALA N N 15 121.362 0.027 . 1 . . . . 49 ALA N . 18092 1 575 . 1 1 50 50 LYS H H 1 7.532 0.004 . 1 . . . . 50 LYS HN . 18092 1 576 . 1 1 50 50 LYS HA H 1 4.046 0.006 . 1 . . . . 50 LYS HA . 18092 1 577 . 1 1 50 50 LYS HB2 H 1 1.915 0.012 . 2 . . . . 50 LYS HB2 . 18092 1 578 . 1 1 50 50 LYS HB3 H 1 1.915 0.012 . 2 . . . . 50 LYS HB3 . 18092 1 579 . 1 1 50 50 LYS HG2 H 1 1.453 0.003 . 2 . . . . 50 LYS HG2 . 18092 1 580 . 1 1 50 50 LYS HG3 H 1 1.453 0.003 . 2 . . . . 50 LYS HG3 . 18092 1 581 . 1 1 50 50 LYS HD2 H 1 1.577 0.050 . 2 . . . . 50 LYS HD2 . 18092 1 582 . 1 1 50 50 LYS HD3 H 1 1.577 0.050 . 2 . . . . 50 LYS HD3 . 18092 1 583 . 1 1 50 50 LYS HE2 H 1 2.945 0.050 . 2 . . . . 50 LYS HE2 . 18092 1 584 . 1 1 50 50 LYS HE3 H 1 2.945 0.050 . 2 . . . . 50 LYS HE3 . 18092 1 585 . 1 1 50 50 LYS C C 13 177.575 0.100 . 1 . . . . 50 LYS C . 18092 1 586 . 1 1 50 50 LYS CA C 13 59.293 0.051 . 1 . . . . 50 LYS CA . 18092 1 587 . 1 1 50 50 LYS CB C 13 32.320 0.025 . 1 . . . . 50 LYS CB . 18092 1 588 . 1 1 50 50 LYS N N 15 119.979 0.036 . 1 . . . . 50 LYS N . 18092 1 589 . 1 1 51 51 MET H H 1 7.766 0.003 . 1 . . . . 51 MET HN . 18092 1 590 . 1 1 51 51 MET HA H 1 4.111 0.006 . 1 . . . . 51 MET HA . 18092 1 591 . 1 1 51 51 MET HB2 H 1 2.030 0.006 . 2 . . . . 51 MET HB2 . 18092 1 592 . 1 1 51 51 MET HB3 H 1 2.030 0.006 . 2 . . . . 51 MET HB3 . 18092 1 593 . 1 1 51 51 MET HG2 H 1 2.244 0.016 . 2 . . . . 51 MET HG2 . 18092 1 594 . 1 1 51 51 MET HG3 H 1 2.619 0.009 . 2 . . . . 51 MET HG3 . 18092 1 595 . 1 1 51 51 MET HE1 H 1 1.670 0.004 . 1 . . . . 51 MET HE1 . 18092 1 596 . 1 1 51 51 MET HE2 H 1 1.670 0.004 . 1 . . . . 51 MET HE2 . 18092 1 597 . 1 1 51 51 MET HE3 H 1 1.670 0.004 . 1 . . . . 51 MET HE3 . 18092 1 598 . 1 1 51 51 MET C C 13 179.016 0.100 . 1 . . . . 51 MET C . 18092 1 599 . 1 1 51 51 MET CA C 13 59.349 0.070 . 1 . . . . 51 MET CA . 18092 1 600 . 1 1 51 51 MET CB C 13 31.312 0.051 . 1 . . . . 51 MET CB . 18092 1 601 . 1 1 51 51 MET CG C 13 31.405 0.034 . 1 . . . . 51 MET CG . 18092 1 602 . 1 1 51 51 MET CE C 13 16.563 0.073 . 1 . . . . 51 MET CE . 18092 1 603 . 1 1 51 51 MET N N 15 121.192 0.037 . 1 . . . . 51 MET N . 18092 1 604 . 1 1 52 52 LEU H H 1 8.341 0.004 . 1 . . . . 52 LEU HN . 18092 1 605 . 1 1 52 52 LEU HA H 1 3.768 0.006 . 1 . . . . 52 LEU HA . 18092 1 606 . 1 1 52 52 LEU HB2 H 1 1.203 0.012 . 1 . . . . 52 LEU HB2 . 18092 1 607 . 1 1 52 52 LEU HB3 H 1 1.870 0.007 . 1 . . . . 52 LEU HB3 . 18092 1 608 . 1 1 52 52 LEU HG H 1 1.692 0.004 . 1 . . . . 52 LEU HG . 18092 1 609 . 1 1 52 52 LEU HD11 H 1 0.702 0.010 . 1 . . . . 52 LEU HD11 . 18092 1 610 . 1 1 52 52 LEU HD12 H 1 0.702 0.010 . 1 . . . . 52 LEU HD12 . 18092 1 611 . 1 1 52 52 LEU HD13 H 1 0.702 0.010 . 1 . . . . 52 LEU HD13 . 18092 1 612 . 1 1 52 52 LEU HD21 H 1 0.644 0.007 . 1 . . . . 52 LEU HD21 . 18092 1 613 . 1 1 52 52 LEU HD22 H 1 0.644 0.007 . 1 . . . . 52 LEU HD22 . 18092 1 614 . 1 1 52 52 LEU HD23 H 1 0.644 0.007 . 1 . . . . 52 LEU HD23 . 18092 1 615 . 1 1 52 52 LEU C C 13 178.482 0.100 . 1 . . . . 52 LEU C . 18092 1 616 . 1 1 52 52 LEU CA C 13 57.728 0.075 . 1 . . . . 52 LEU CA . 18092 1 617 . 1 1 52 52 LEU CB C 13 42.053 0.003 . 1 . . . . 52 LEU CB . 18092 1 618 . 1 1 52 52 LEU CD2 C 13 23.153 0.068 . 1 . . . . 52 LEU CD2 . 18092 1 619 . 1 1 52 52 LEU N N 15 119.178 0.029 . 1 . . . . 52 LEU N . 18092 1 620 . 1 1 53 53 ALA H H 1 7.846 0.004 . 1 . . . . 53 ALA HN . 18092 1 621 . 1 1 53 53 ALA HA H 1 4.084 0.007 . 1 . . . . 53 ALA HA . 18092 1 622 . 1 1 53 53 ALA HB1 H 1 1.444 0.002 . 1 . . . . 53 ALA HB1 . 18092 1 623 . 1 1 53 53 ALA HB2 H 1 1.444 0.002 . 1 . . . . 53 ALA HB2 . 18092 1 624 . 1 1 53 53 ALA HB3 H 1 1.444 0.002 . 1 . . . . 53 ALA HB3 . 18092 1 625 . 1 1 53 53 ALA C C 13 181.343 0.100 . 1 . . . . 53 ALA C . 18092 1 626 . 1 1 53 53 ALA CA C 13 55.215 0.038 . 1 . . . . 53 ALA CA . 18092 1 627 . 1 1 53 53 ALA CB C 13 18.081 0.068 . 1 . . . . 53 ALA CB . 18092 1 628 . 1 1 53 53 ALA N N 15 122.654 0.037 . 1 . . . . 53 ALA N . 18092 1 629 . 1 1 54 54 ASP H H 1 8.372 0.003 . 1 . . . . 54 ASP HN . 18092 1 630 . 1 1 54 54 ASP HA H 1 4.460 0.004 . 1 . . . . 54 ASP HA . 18092 1 631 . 1 1 54 54 ASP HB2 H 1 2.707 0.014 . 1 . . . . 54 ASP HB2 . 18092 1 632 . 1 1 54 54 ASP HB3 H 1 2.982 0.007 . 1 . . . . 54 ASP HB3 . 18092 1 633 . 1 1 54 54 ASP C C 13 179.710 0.100 . 1 . . . . 54 ASP C . 18092 1 634 . 1 1 54 54 ASP CA C 13 57.622 0.061 . 1 . . . . 54 ASP CA . 18092 1 635 . 1 1 54 54 ASP CB C 13 39.823 0.055 . 1 . . . . 54 ASP CB . 18092 1 636 . 1 1 54 54 ASP N N 15 122.465 0.026 . 1 . . . . 54 ASP N . 18092 1 637 . 1 1 55 55 GLU H H 1 8.396 0.005 . 1 . . . . 55 GLU HN . 18092 1 638 . 1 1 55 55 GLU HA H 1 4.046 0.007 . 1 . . . . 55 GLU HA . 18092 1 639 . 1 1 55 55 GLU HB2 H 1 2.033 0.002 . 2 . . . . 55 GLU HB2 . 18092 1 640 . 1 1 55 55 GLU HB3 H 1 2.123 0.007 . 2 . . . . 55 GLU HB3 . 18092 1 641 . 1 1 55 55 GLU C C 13 179.000 0.100 . 1 . . . . 55 GLU C . 18092 1 642 . 1 1 55 55 GLU CA C 13 59.006 0.040 . 1 . . . . 55 GLU CA . 18092 1 643 . 1 1 55 55 GLU CB C 13 29.383 0.100 . 1 . . . . 55 GLU CB . 18092 1 644 . 1 1 55 55 GLU N N 15 121.547 0.059 . 1 . . . . 55 GLU N . 18092 1 645 . 1 1 56 56 PHE H H 1 8.845 0.003 . 1 . . . . 56 PHE HN . 18092 1 646 . 1 1 56 56 PHE HA H 1 3.827 0.008 . 1 . . . . 56 PHE HA . 18092 1 647 . 1 1 56 56 PHE HB2 H 1 3.446 0.007 . 1 . . . . 56 PHE HB2 . 18092 1 648 . 1 1 56 56 PHE HB3 H 1 3.102 0.006 . 1 . . . . 56 PHE HB3 . 18092 1 649 . 1 1 56 56 PHE HD1 H 1 7.044 0.008 . 3 . . . . 56 PHE HD1 . 18092 1 650 . 1 1 56 56 PHE HD2 H 1 7.044 0.008 . 3 . . . . 56 PHE HD2 . 18092 1 651 . 1 1 56 56 PHE HE1 H 1 7.294 0.009 . 3 . . . . 56 PHE HE1 . 18092 1 652 . 1 1 56 56 PHE HE2 H 1 7.294 0.009 . 3 . . . . 56 PHE HE2 . 18092 1 653 . 1 1 56 56 PHE HZ H 1 7.246 0.003 . 1 . . . . 56 PHE HZ . 18092 1 654 . 1 1 56 56 PHE C C 13 178.149 0.100 . 1 . . . . 56 PHE C . 18092 1 655 . 1 1 56 56 PHE CA C 13 61.995 0.057 . 1 . . . . 56 PHE CA . 18092 1 656 . 1 1 56 56 PHE CB C 13 39.621 0.051 . 1 . . . . 56 PHE CB . 18092 1 657 . 1 1 56 56 PHE N N 15 122.847 0.029 . 1 . . . . 56 PHE N . 18092 1 658 . 1 1 57 57 GLY H H 1 8.118 0.006 . 1 . . . . 57 GLY HN . 18092 1 659 . 1 1 57 57 GLY HA2 H 1 3.869 0.009 . 2 . . . . 57 GLY HA2 . 18092 1 660 . 1 1 57 57 GLY HA3 H 1 4.079 0.007 . 2 . . . . 57 GLY HA3 . 18092 1 661 . 1 1 57 57 GLY C C 13 176.737 0.100 . 1 . . . . 57 GLY C . 18092 1 662 . 1 1 57 57 GLY CA C 13 47.449 0.103 . 1 . . . . 57 GLY CA . 18092 1 663 . 1 1 57 57 GLY N N 15 106.766 0.055 . 1 . . . . 57 GLY N . 18092 1 664 . 1 1 58 58 THR H H 1 8.136 0.004 . 1 . . . . 58 THR HN . 18092 1 665 . 1 1 58 58 THR HA H 1 4.018 0.006 . 1 . . . . 58 THR HA . 18092 1 666 . 1 1 58 58 THR HB H 1 4.207 0.006 . 1 . . . . 58 THR HB . 18092 1 667 . 1 1 58 58 THR HG21 H 1 1.224 0.006 . 1 . . . . 58 THR HG21 . 18092 1 668 . 1 1 58 58 THR HG22 H 1 1.224 0.006 . 1 . . . . 58 THR HG22 . 18092 1 669 . 1 1 58 58 THR HG23 H 1 1.224 0.006 . 1 . . . . 58 THR HG23 . 18092 1 670 . 1 1 58 58 THR C C 13 177.382 0.100 . 1 . . . . 58 THR C . 18092 1 671 . 1 1 58 58 THR CA C 13 65.830 0.057 . 1 . . . . 58 THR CA . 18092 1 672 . 1 1 58 58 THR CB C 13 68.908 0.103 . 1 . . . . 58 THR CB . 18092 1 673 . 1 1 58 58 THR CG2 C 13 22.287 0.127 . 1 . . . . 58 THR CG2 . 18092 1 674 . 1 1 58 58 THR N N 15 118.510 0.031 . 1 . . . . 58 THR N . 18092 1 675 . 1 1 59 59 ALA H H 1 8.532 0.002 . 1 . . . . 59 ALA HN . 18092 1 676 . 1 1 59 59 ALA HA H 1 4.086 0.003 . 1 . . . . 59 ALA HA . 18092 1 677 . 1 1 59 59 ALA HB1 H 1 1.328 0.007 . 1 . . . . 59 ALA HB1 . 18092 1 678 . 1 1 59 59 ALA HB2 H 1 1.328 0.007 . 1 . . . . 59 ALA HB2 . 18092 1 679 . 1 1 59 59 ALA HB3 H 1 1.328 0.007 . 1 . . . . 59 ALA HB3 . 18092 1 680 . 1 1 59 59 ALA C C 13 178.477 0.100 . 1 . . . . 59 ALA C . 18092 1 681 . 1 1 59 59 ALA CA C 13 54.298 0.021 . 1 . . . . 59 ALA CA . 18092 1 682 . 1 1 59 59 ALA CB C 13 18.843 0.063 . 1 . . . . 59 ALA CB . 18092 1 683 . 1 1 59 59 ALA N N 15 125.742 0.031 . 1 . . . . 59 ALA N . 18092 1 684 . 1 1 60 60 SER H H 1 7.631 0.005 . 1 . . . . 60 SER HN . 18092 1 685 . 1 1 60 60 SER HA H 1 3.908 0.011 . 1 . . . . 60 SER HA . 18092 1 686 . 1 1 60 60 SER HB2 H 1 3.785 0.007 . 1 . . . . 60 SER HB2 . 18092 1 687 . 1 1 60 60 SER HB3 H 1 3.975 0.014 . 1 . . . . 60 SER HB3 . 18092 1 688 . 1 1 60 60 SER C C 13 173.778 0.100 . 1 . . . . 60 SER C . 18092 1 689 . 1 1 60 60 SER CA C 13 61.667 0.052 . 1 . . . . 60 SER CA . 18092 1 690 . 1 1 60 60 SER CB C 13 63.407 0.038 . 1 . . . . 60 SER CB . 18092 1 691 . 1 1 60 60 SER N N 15 111.874 0.037 . 1 . . . . 60 SER N . 18092 1 692 . 1 1 61 61 ASN H H 1 7.498 0.004 . 1 . . . . 61 ASN HN . 18092 1 693 . 1 1 61 61 ASN HA H 1 4.680 0.009 . 1 . . . . 61 ASN HA . 18092 1 694 . 1 1 61 61 ASN HB2 H 1 2.906 0.008 . 1 . . . . 61 ASN HB2 . 18092 1 695 . 1 1 61 61 ASN HB3 H 1 2.746 0.003 . 1 . . . . 61 ASN HB3 . 18092 1 696 . 1 1 61 61 ASN HD21 H 1 7.471 0.002 . 2 . . . . 61 ASN HD21 . 18092 1 697 . 1 1 61 61 ASN HD22 H 1 6.944 0.003 . 2 . . . . 61 ASN HD22 . 18092 1 698 . 1 1 61 61 ASN C C 13 175.554 0.100 . 1 . . . . 61 ASN C . 18092 1 699 . 1 1 61 61 ASN CA C 13 53.418 0.060 . 1 . . . . 61 ASN CA . 18092 1 700 . 1 1 61 61 ASN CB C 13 39.718 0.004 . 1 . . . . 61 ASN CB . 18092 1 701 . 1 1 61 61 ASN N N 15 116.569 0.034 . 1 . . . . 61 ASN N . 18092 1 702 . 1 1 61 61 ASN ND2 N 15 113.989 0.041 . 1 . . . . 61 ASN ND2 . 18092 1 703 . 1 1 62 62 ILE H H 1 7.594 0.003 . 1 . . . . 62 ILE HN . 18092 1 704 . 1 1 62 62 ILE HA H 1 3.793 0.008 . 1 . . . . 62 ILE HA . 18092 1 705 . 1 1 62 62 ILE HB H 1 1.675 0.004 . 1 . . . . 62 ILE HB . 18092 1 706 . 1 1 62 62 ILE HG21 H 1 1.017 0.006 . 1 . . . . 62 ILE HG21 . 18092 1 707 . 1 1 62 62 ILE HG22 H 1 1.017 0.006 . 1 . . . . 62 ILE HG22 . 18092 1 708 . 1 1 62 62 ILE HG23 H 1 1.017 0.006 . 1 . . . . 62 ILE HG23 . 18092 1 709 . 1 1 62 62 ILE HD11 H 1 0.952 0.007 . 1 . . . . 62 ILE HD11 . 18092 1 710 . 1 1 62 62 ILE HD12 H 1 0.952 0.007 . 1 . . . . 62 ILE HD12 . 18092 1 711 . 1 1 62 62 ILE HD13 H 1 0.952 0.007 . 1 . . . . 62 ILE HD13 . 18092 1 712 . 1 1 62 62 ILE C C 13 177.149 0.100 . 1 . . . . 62 ILE C . 18092 1 713 . 1 1 62 62 ILE CA C 13 63.678 0.041 . 1 . . . . 62 ILE CA . 18092 1 714 . 1 1 62 62 ILE CB C 13 39.037 0.121 . 1 . . . . 62 ILE CB . 18092 1 715 . 1 1 62 62 ILE CG2 C 13 17.712 0.043 . 1 . . . . 62 ILE CG2 . 18092 1 716 . 1 1 62 62 ILE CD1 C 13 14.328 0.021 . 1 . . . . 62 ILE CD1 . 18092 1 717 . 1 1 62 62 ILE N N 15 123.349 0.035 . 1 . . . . 62 ILE N . 18092 1 718 . 1 1 63 63 LYS H H 1 8.530 0.006 . 1 . . . . 63 LYS HN . 18092 1 719 . 1 1 63 63 LYS HA H 1 3.974 0.011 . 1 . . . . 63 LYS HA . 18092 1 720 . 1 1 63 63 LYS HB2 H 1 1.801 0.001 . 2 . . . . 63 LYS HB2 . 18092 1 721 . 1 1 63 63 LYS HB3 H 1 1.801 0.001 . 2 . . . . 63 LYS HB3 . 18092 1 722 . 1 1 63 63 LYS HG2 H 1 1.439 0.050 . 2 . . . . 63 LYS HG2 . 18092 1 723 . 1 1 63 63 LYS HG3 H 1 1.541 0.050 . 2 . . . . 63 LYS HG3 . 18092 1 724 . 1 1 63 63 LYS C C 13 177.468 0.100 . 1 . . . . 63 LYS C . 18092 1 725 . 1 1 63 63 LYS CA C 13 59.071 0.055 . 1 . . . . 63 LYS CA . 18092 1 726 . 1 1 63 63 LYS CB C 13 32.736 0.187 . 1 . . . . 63 LYS CB . 18092 1 727 . 1 1 63 63 LYS N N 15 128.149 0.035 . 1 . . . . 63 LYS N . 18092 1 728 . 1 1 64 64 SER H H 1 7.720 0.003 . 1 . . . . 64 SER HN . 18092 1 729 . 1 1 64 64 SER HA H 1 4.456 0.005 . 1 . . . . 64 SER HA . 18092 1 730 . 1 1 64 64 SER HB2 H 1 3.735 0.007 . 1 . . . . 64 SER HB2 . 18092 1 731 . 1 1 64 64 SER HB3 H 1 3.993 0.005 . 1 . . . . 64 SER HB3 . 18092 1 732 . 1 1 64 64 SER CA C 13 57.131 0.030 . 1 . . . . 64 SER CA . 18092 1 733 . 1 1 64 64 SER CB C 13 63.442 0.068 . 1 . . . . 64 SER CB . 18092 1 734 . 1 1 64 64 SER N N 15 113.837 0.040 . 1 . . . . 64 SER N . 18092 1 735 . 1 1 65 65 ARG H H 1 8.843 0.050 . 1 . . . . 65 ARG HN . 18092 1 736 . 1 1 65 65 ARG HA H 1 3.837 0.006 . 1 . . . . 65 ARG HA . 18092 1 737 . 1 1 65 65 ARG HB2 H 1 1.838 0.010 . 1 . . . . 65 ARG HB2 . 18092 1 738 . 1 1 65 65 ARG HB3 H 1 1.928 0.007 . 1 . . . . 65 ARG HB3 . 18092 1 739 . 1 1 65 65 ARG HG2 H 1 1.525 0.050 . 2 . . . . 65 ARG HG2 . 18092 1 740 . 1 1 65 65 ARG HG3 H 1 1.608 0.050 . 2 . . . . 65 ARG HG3 . 18092 1 741 . 1 1 65 65 ARG HD2 H 1 3.202 0.004 . 2 . . . . 65 ARG HD2 . 18092 1 742 . 1 1 65 65 ARG HD3 H 1 3.202 0.004 . 2 . . . . 65 ARG HD3 . 18092 1 743 . 1 1 65 65 ARG C C 13 177.444 0.100 . 1 . . . . 65 ARG C . 18092 1 744 . 1 1 65 65 ARG CA C 13 60.161 0.060 . 1 . . . . 65 ARG CA . 18092 1 745 . 1 1 65 65 ARG CB C 13 30.450 0.036 . 1 . . . . 65 ARG CB . 18092 1 746 . 1 1 65 65 ARG N N 15 131.168 0.050 . 1 . . . . 65 ARG N . 18092 1 747 . 1 1 66 66 VAL H H 1 8.081 0.003 . 1 . . . . 66 VAL HN . 18092 1 748 . 1 1 66 66 VAL HA H 1 3.719 0.007 . 1 . . . . 66 VAL HA . 18092 1 749 . 1 1 66 66 VAL HB H 1 1.890 0.009 . 1 . . . . 66 VAL HB . 18092 1 750 . 1 1 66 66 VAL HG11 H 1 0.965 0.005 . 2 . . . . 66 VAL HG11 . 18092 1 751 . 1 1 66 66 VAL HG12 H 1 0.965 0.005 . 2 . . . . 66 VAL HG12 . 18092 1 752 . 1 1 66 66 VAL HG13 H 1 0.965 0.005 . 2 . . . . 66 VAL HG13 . 18092 1 753 . 1 1 66 66 VAL HG21 H 1 0.871 0.004 . 2 . . . . 66 VAL HG21 . 18092 1 754 . 1 1 66 66 VAL HG22 H 1 0.871 0.004 . 2 . . . . 66 VAL HG22 . 18092 1 755 . 1 1 66 66 VAL HG23 H 1 0.871 0.004 . 2 . . . . 66 VAL HG23 . 18092 1 756 . 1 1 66 66 VAL C C 13 178.347 0.100 . 1 . . . . 66 VAL C . 18092 1 757 . 1 1 66 66 VAL CA C 13 65.758 0.068 . 1 . . . . 66 VAL CA . 18092 1 758 . 1 1 66 66 VAL CB C 13 32.077 0.065 . 1 . . . . 66 VAL CB . 18092 1 759 . 1 1 66 66 VAL N N 15 116.499 0.037 . 1 . . . . 66 VAL N . 18092 1 760 . 1 1 67 67 ASN H H 1 7.517 0.008 . 1 . . . . 67 ASN HN . 18092 1 761 . 1 1 67 67 ASN HA H 1 4.547 0.006 . 1 . . . . 67 ASN HA . 18092 1 762 . 1 1 67 67 ASN HB2 H 1 2.674 0.006 . 1 . . . . 67 ASN HB2 . 18092 1 763 . 1 1 67 67 ASN HB3 H 1 2.781 0.006 . 1 . . . . 67 ASN HB3 . 18092 1 764 . 1 1 67 67 ASN HD21 H 1 7.530 0.001 . 2 . . . . 67 ASN HD21 . 18092 1 765 . 1 1 67 67 ASN HD22 H 1 6.942 0.002 . 2 . . . . 67 ASN HD22 . 18092 1 766 . 1 1 67 67 ASN C C 13 176.476 0.100 . 1 . . . . 67 ASN C . 18092 1 767 . 1 1 67 67 ASN CA C 13 55.770 0.063 . 1 . . . . 67 ASN CA . 18092 1 768 . 1 1 67 67 ASN CB C 13 38.629 0.064 . 1 . . . . 67 ASN CB . 18092 1 769 . 1 1 67 67 ASN N N 15 119.071 0.025 . 1 . . . . 67 ASN N . 18092 1 770 . 1 1 67 67 ASN ND2 N 15 111.191 0.019 . 1 . . . . 67 ASN ND2 . 18092 1 771 . 1 1 68 68 ARG H H 1 8.617 0.003 . 1 . . . . 68 ARG HN . 18092 1 772 . 1 1 68 68 ARG HA H 1 3.778 0.009 . 1 . . . . 68 ARG HA . 18092 1 773 . 1 1 68 68 ARG HB2 H 1 1.781 0.012 . 1 . . . . 68 ARG HB2 . 18092 1 774 . 1 1 68 68 ARG HB3 H 1 1.857 0.005 . 1 . . . . 68 ARG HB3 . 18092 1 775 . 1 1 68 68 ARG HG2 H 1 1.260 0.006 . 2 . . . . 68 ARG HG2 . 18092 1 776 . 1 1 68 68 ARG HG3 H 1 1.260 0.006 . 2 . . . . 68 ARG HG3 . 18092 1 777 . 1 1 68 68 ARG HD2 H 1 3.203 0.007 . 2 . . . . 68 ARG HD2 . 18092 1 778 . 1 1 68 68 ARG HD3 H 1 3.403 0.006 . 2 . . . . 68 ARG HD3 . 18092 1 779 . 1 1 68 68 ARG C C 13 177.416 0.100 . 1 . . . . 68 ARG C . 18092 1 780 . 1 1 68 68 ARG CA C 13 60.189 0.058 . 1 . . . . 68 ARG CA . 18092 1 781 . 1 1 68 68 ARG CB C 13 31.161 0.066 . 1 . . . . 68 ARG CB . 18092 1 782 . 1 1 68 68 ARG CD C 13 43.668 0.123 . 1 . . . . 68 ARG CD . 18092 1 783 . 1 1 68 68 ARG N N 15 121.424 0.056 . 1 . . . . 68 ARG N . 18092 1 784 . 1 1 69 69 LEU H H 1 8.251 0.003 . 1 . . . . 69 LEU HN . 18092 1 785 . 1 1 69 69 LEU HA H 1 3.953 0.013 . 1 . . . . 69 LEU HA . 18092 1 786 . 1 1 69 69 LEU HB2 H 1 1.515 0.008 . 1 . . . . 69 LEU HB2 . 18092 1 787 . 1 1 69 69 LEU HB3 H 1 1.825 0.005 . 1 . . . . 69 LEU HB3 . 18092 1 788 . 1 1 69 69 LEU HG H 1 1.842 0.003 . 1 . . . . 69 LEU HG . 18092 1 789 . 1 1 69 69 LEU HD11 H 1 0.850 0.008 . 2 . . . . 69 LEU HD11 . 18092 1 790 . 1 1 69 69 LEU HD12 H 1 0.850 0.008 . 2 . . . . 69 LEU HD12 . 18092 1 791 . 1 1 69 69 LEU HD13 H 1 0.850 0.008 . 2 . . . . 69 LEU HD13 . 18092 1 792 . 1 1 69 69 LEU HD21 H 1 0.850 0.008 . 2 . . . . 69 LEU HD21 . 18092 1 793 . 1 1 69 69 LEU HD22 H 1 0.850 0.008 . 2 . . . . 69 LEU HD22 . 18092 1 794 . 1 1 69 69 LEU HD23 H 1 0.850 0.008 . 2 . . . . 69 LEU HD23 . 18092 1 795 . 1 1 69 69 LEU C C 13 180.982 0.100 . 1 . . . . 69 LEU C . 18092 1 796 . 1 1 69 69 LEU CA C 13 58.335 0.023 . 1 . . . . 69 LEU CA . 18092 1 797 . 1 1 69 69 LEU CB C 13 41.404 0.074 . 1 . . . . 69 LEU CB . 18092 1 798 . 1 1 69 69 LEU CD1 C 13 22.876 0.100 . 2 . . . . 69 LEU CD1 . 18092 1 799 . 1 1 69 69 LEU N N 15 116.154 0.038 . 1 . . . . 69 LEU N . 18092 1 800 . 1 1 70 70 SER H H 1 7.776 0.004 . 1 . . . . 70 SER HN . 18092 1 801 . 1 1 70 70 SER HA H 1 4.254 0.005 . 1 . . . . 70 SER HA . 18092 1 802 . 1 1 70 70 SER HB2 H 1 3.876 0.019 . 1 . . . . 70 SER HB2 . 18092 1 803 . 1 1 70 70 SER HB3 H 1 4.036 0.015 . 1 . . . . 70 SER HB3 . 18092 1 804 . 1 1 70 70 SER C C 13 176.728 0.100 . 1 . . . . 70 SER C . 18092 1 805 . 1 1 70 70 SER CA C 13 62.031 0.029 . 1 . . . . 70 SER CA . 18092 1 806 . 1 1 70 70 SER CB C 13 63.271 0.047 . 1 . . . . 70 SER CB . 18092 1 807 . 1 1 70 70 SER N N 15 116.231 0.024 . 1 . . . . 70 SER N . 18092 1 808 . 1 1 71 71 VAL H H 1 8.074 0.003 . 1 . . . . 71 VAL HN . 18092 1 809 . 1 1 71 71 VAL HA H 1 3.688 0.009 . 1 . . . . 71 VAL HA . 18092 1 810 . 1 1 71 71 VAL HB H 1 1.982 0.007 . 1 . . . . 71 VAL HB . 18092 1 811 . 1 1 71 71 VAL HG11 H 1 0.953 0.011 . 2 . . . . 71 VAL HG11 . 18092 1 812 . 1 1 71 71 VAL HG12 H 1 0.953 0.011 . 2 . . . . 71 VAL HG12 . 18092 1 813 . 1 1 71 71 VAL HG13 H 1 0.953 0.011 . 2 . . . . 71 VAL HG13 . 18092 1 814 . 1 1 71 71 VAL HG21 H 1 1.021 0.007 . 2 . . . . 71 VAL HG21 . 18092 1 815 . 1 1 71 71 VAL HG22 H 1 1.021 0.007 . 2 . . . . 71 VAL HG22 . 18092 1 816 . 1 1 71 71 VAL HG23 H 1 1.021 0.007 . 2 . . . . 71 VAL HG23 . 18092 1 817 . 1 1 71 71 VAL C C 13 177.778 0.100 . 1 . . . . 71 VAL C . 18092 1 818 . 1 1 71 71 VAL CA C 13 67.158 0.036 . 1 . . . . 71 VAL CA . 18092 1 819 . 1 1 71 71 VAL CB C 13 32.406 0.072 . 1 . . . . 71 VAL CB . 18092 1 820 . 1 1 71 71 VAL CG1 C 13 22.167 0.153 . 2 . . . . 71 VAL CG1 . 18092 1 821 . 1 1 71 71 VAL CG2 C 13 23.347 0.100 . 2 . . . . 71 VAL CG2 . 18092 1 822 . 1 1 71 71 VAL N N 15 124.054 0.034 . 1 . . . . 71 VAL N . 18092 1 823 . 1 1 72 72 LEU H H 1 8.504 0.004 . 1 . . . . 72 LEU HN . 18092 1 824 . 1 1 72 72 LEU HA H 1 3.863 0.012 . 1 . . . . 72 LEU HA . 18092 1 825 . 1 1 72 72 LEU HB2 H 1 1.376 0.011 . 1 . . . . 72 LEU HB2 . 18092 1 826 . 1 1 72 72 LEU HB3 H 1 1.694 0.010 . 1 . . . . 72 LEU HB3 . 18092 1 827 . 1 1 72 72 LEU HG H 1 1.657 0.012 . 1 . . . . 72 LEU HG . 18092 1 828 . 1 1 72 72 LEU HD11 H 1 0.564 0.007 . 1 . . . . 72 LEU HD11 . 18092 1 829 . 1 1 72 72 LEU HD12 H 1 0.564 0.007 . 1 . . . . 72 LEU HD12 . 18092 1 830 . 1 1 72 72 LEU HD13 H 1 0.564 0.007 . 1 . . . . 72 LEU HD13 . 18092 1 831 . 1 1 72 72 LEU HD21 H 1 0.002 0.005 . 1 . . . . 72 LEU HD21 . 18092 1 832 . 1 1 72 72 LEU HD22 H 1 0.002 0.005 . 1 . . . . 72 LEU HD22 . 18092 1 833 . 1 1 72 72 LEU HD23 H 1 0.002 0.005 . 1 . . . . 72 LEU HD23 . 18092 1 834 . 1 1 72 72 LEU C C 13 180.778 0.100 . 1 . . . . 72 LEU C . 18092 1 835 . 1 1 72 72 LEU CA C 13 58.645 0.040 . 1 . . . . 72 LEU CA . 18092 1 836 . 1 1 72 72 LEU CB C 13 41.033 0.082 . 1 . . . . 72 LEU CB . 18092 1 837 . 1 1 72 72 LEU CG C 13 26.251 0.037 . 1 . . . . 72 LEU CG . 18092 1 838 . 1 1 72 72 LEU CD1 C 13 26.148 0.084 . 1 . . . . 72 LEU CD1 . 18092 1 839 . 1 1 72 72 LEU CD2 C 13 22.709 0.045 . 1 . . . . 72 LEU CD2 . 18092 1 840 . 1 1 72 72 LEU N N 15 118.256 0.039 . 1 . . . . 72 LEU N . 18092 1 841 . 1 1 73 73 GLY H H 1 8.168 0.002 . 1 . . . . 73 GLY HN . 18092 1 842 . 1 1 73 73 GLY HA2 H 1 3.856 0.005 . 2 . . . . 73 GLY HA2 . 18092 1 843 . 1 1 73 73 GLY HA3 H 1 3.973 0.010 . 2 . . . . 73 GLY HA3 . 18092 1 844 . 1 1 73 73 GLY C C 13 176.177 0.100 . 1 . . . . 73 GLY C . 18092 1 845 . 1 1 73 73 GLY CA C 13 47.339 0.084 . 1 . . . . 73 GLY CA . 18092 1 846 . 1 1 73 73 GLY N N 15 106.122 0.035 . 1 . . . . 73 GLY N . 18092 1 847 . 1 1 74 74 ALA H H 1 7.799 0.005 . 1 . . . . 74 ALA HN . 18092 1 848 . 1 1 74 74 ALA HA H 1 4.274 0.006 . 1 . . . . 74 ALA HA . 18092 1 849 . 1 1 74 74 ALA HB1 H 1 1.555 0.008 . 1 . . . . 74 ALA HB1 . 18092 1 850 . 1 1 74 74 ALA HB2 H 1 1.555 0.008 . 1 . . . . 74 ALA HB2 . 18092 1 851 . 1 1 74 74 ALA HB3 H 1 1.555 0.008 . 1 . . . . 74 ALA HB3 . 18092 1 852 . 1 1 74 74 ALA C C 13 179.364 0.100 . 1 . . . . 74 ALA C . 18092 1 853 . 1 1 74 74 ALA CA C 13 55.869 0.073 . 1 . . . . 74 ALA CA . 18092 1 854 . 1 1 74 74 ALA CB C 13 18.403 0.075 . 1 . . . . 74 ALA CB . 18092 1 855 . 1 1 74 74 ALA N N 15 126.721 0.039 . 1 . . . . 74 ALA N . 18092 1 856 . 1 1 75 75 ILE H H 1 8.761 0.004 . 1 . . . . 75 ILE HN . 18092 1 857 . 1 1 75 75 ILE HA H 1 3.469 0.004 . 1 . . . . 75 ILE HA . 18092 1 858 . 1 1 75 75 ILE HB H 1 1.951 0.011 . 1 . . . . 75 ILE HB . 18092 1 859 . 1 1 75 75 ILE HG12 H 1 2.046 0.002 . 2 . . . . 75 ILE HG12 . 18092 1 860 . 1 1 75 75 ILE HG13 H 1 2.046 0.002 . 2 . . . . 75 ILE HG13 . 18092 1 861 . 1 1 75 75 ILE HG21 H 1 1.018 0.003 . 1 . . . . 75 ILE HG21 . 18092 1 862 . 1 1 75 75 ILE HG22 H 1 1.018 0.003 . 1 . . . . 75 ILE HG22 . 18092 1 863 . 1 1 75 75 ILE HG23 H 1 1.018 0.003 . 1 . . . . 75 ILE HG23 . 18092 1 864 . 1 1 75 75 ILE HD11 H 1 0.803 0.004 . 1 . . . . 75 ILE HD11 . 18092 1 865 . 1 1 75 75 ILE HD12 H 1 0.803 0.004 . 1 . . . . 75 ILE HD12 . 18092 1 866 . 1 1 75 75 ILE HD13 H 1 0.803 0.004 . 1 . . . . 75 ILE HD13 . 18092 1 867 . 1 1 75 75 ILE C C 13 178.428 0.100 . 1 . . . . 75 ILE C . 18092 1 868 . 1 1 75 75 ILE CA C 13 66.869 0.090 . 1 . . . . 75 ILE CA . 18092 1 869 . 1 1 75 75 ILE CB C 13 38.879 0.100 . 1 . . . . 75 ILE CB . 18092 1 870 . 1 1 75 75 ILE CG2 C 13 18.584 0.050 . 1 . . . . 75 ILE CG2 . 18092 1 871 . 1 1 75 75 ILE CD1 C 13 14.946 0.016 . 1 . . . . 75 ILE CD1 . 18092 1 872 . 1 1 75 75 ILE N N 15 119.066 0.041 . 1 . . . . 75 ILE N . 18092 1 873 . 1 1 76 76 THR H H 1 8.488 0.005 . 1 . . . . 76 THR HN . 18092 1 874 . 1 1 76 76 THR HA H 1 4.190 0.007 . 1 . . . . 76 THR HA . 18092 1 875 . 1 1 76 76 THR HB H 1 4.342 0.005 . 1 . . . . 76 THR HB . 18092 1 876 . 1 1 76 76 THR HG21 H 1 1.274 0.003 . 1 . . . . 76 THR HG21 . 18092 1 877 . 1 1 76 76 THR HG22 H 1 1.274 0.003 . 1 . . . . 76 THR HG22 . 18092 1 878 . 1 1 76 76 THR HG23 H 1 1.274 0.003 . 1 . . . . 76 THR HG23 . 18092 1 879 . 1 1 76 76 THR C C 13 177.017 0.100 . 1 . . . . 76 THR C . 18092 1 880 . 1 1 76 76 THR CA C 13 67.026 0.098 . 1 . . . . 76 THR CA . 18092 1 881 . 1 1 76 76 THR CB C 13 69.102 0.090 . 1 . . . . 76 THR CB . 18092 1 882 . 1 1 76 76 THR CG2 C 13 21.694 0.036 . 1 . . . . 76 THR CG2 . 18092 1 883 . 1 1 76 76 THR N N 15 115.188 0.043 . 1 . . . . 76 THR N . 18092 1 884 . 1 1 77 77 SER H H 1 7.907 0.003 . 1 . . . . 77 SER HN . 18092 1 885 . 1 1 77 77 SER HA H 1 4.245 0.006 . 1 . . . . 77 SER HA . 18092 1 886 . 1 1 77 77 SER HB2 H 1 4.065 0.025 . 2 . . . . 77 SER HB2 . 18092 1 887 . 1 1 77 77 SER HB3 H 1 4.170 0.004 . 2 . . . . 77 SER HB3 . 18092 1 888 . 1 1 77 77 SER C C 13 176.999 0.100 . 1 . . . . 77 SER C . 18092 1 889 . 1 1 77 77 SER CA C 13 62.924 0.068 . 1 . . . . 77 SER CA . 18092 1 890 . 1 1 77 77 SER CB C 13 63.641 0.100 . 1 . . . . 77 SER CB . 18092 1 891 . 1 1 77 77 SER N N 15 117.964 0.042 . 1 . . . . 77 SER N . 18092 1 892 . 1 1 78 78 VAL H H 1 8.240 0.005 . 1 . . . . 78 VAL HN . 18092 1 893 . 1 1 78 78 VAL HA H 1 3.699 0.008 . 1 . . . . 78 VAL HA . 18092 1 894 . 1 1 78 78 VAL HB H 1 2.278 0.008 . 1 . . . . 78 VAL HB . 18092 1 895 . 1 1 78 78 VAL HG11 H 1 0.916 0.003 . 1 . . . . 78 VAL HG11 . 18092 1 896 . 1 1 78 78 VAL HG12 H 1 0.916 0.003 . 1 . . . . 78 VAL HG12 . 18092 1 897 . 1 1 78 78 VAL HG13 H 1 0.916 0.003 . 1 . . . . 78 VAL HG13 . 18092 1 898 . 1 1 78 78 VAL HG21 H 1 1.124 0.005 . 1 . . . . 78 VAL HG21 . 18092 1 899 . 1 1 78 78 VAL HG22 H 1 1.124 0.005 . 1 . . . . 78 VAL HG22 . 18092 1 900 . 1 1 78 78 VAL HG23 H 1 1.124 0.005 . 1 . . . . 78 VAL HG23 . 18092 1 901 . 1 1 78 78 VAL C C 13 178.003 0.100 . 1 . . . . 78 VAL C . 18092 1 902 . 1 1 78 78 VAL CA C 13 67.151 0.068 . 1 . . . . 78 VAL CA . 18092 1 903 . 1 1 78 78 VAL CB C 13 31.531 0.088 . 1 . . . . 78 VAL CB . 18092 1 904 . 1 1 78 78 VAL CG2 C 13 24.219 0.023 . 1 . . . . 78 VAL CG2 . 18092 1 905 . 1 1 78 78 VAL N N 15 123.707 0.063 . 1 . . . . 78 VAL N . 18092 1 906 . 1 1 79 79 GLN H H 1 8.785 0.004 . 1 . . . . 79 GLN HN . 18092 1 907 . 1 1 79 79 GLN HA H 1 3.927 0.005 . 1 . . . . 79 GLN HA . 18092 1 908 . 1 1 79 79 GLN HB2 H 1 1.854 0.007 . 1 . . . . 79 GLN HB2 . 18092 1 909 . 1 1 79 79 GLN HB3 H 1 2.169 0.002 . 1 . . . . 79 GLN HB3 . 18092 1 910 . 1 1 79 79 GLN HG2 H 1 2.425 0.012 . 2 . . . . 79 GLN HG2 . 18092 1 911 . 1 1 79 79 GLN HG3 H 1 2.425 0.012 . 2 . . . . 79 GLN HG3 . 18092 1 912 . 1 1 79 79 GLN HE21 H 1 7.088 0.005 . 2 . . . . 79 GLN HE21 . 18092 1 913 . 1 1 79 79 GLN HE22 H 1 6.497 0.001 . 2 . . . . 79 GLN HE22 . 18092 1 914 . 1 1 79 79 GLN C C 13 179.543 0.100 . 1 . . . . 79 GLN C . 18092 1 915 . 1 1 79 79 GLN CA C 13 59.918 0.012 . 1 . . . . 79 GLN CA . 18092 1 916 . 1 1 79 79 GLN CB C 13 29.626 0.051 . 1 . . . . 79 GLN CB . 18092 1 917 . 1 1 79 79 GLN N N 15 119.165 0.042 . 1 . . . . 79 GLN N . 18092 1 918 . 1 1 79 79 GLN NE2 N 15 108.961 0.036 . 1 . . . . 79 GLN NE2 . 18092 1 919 . 1 1 80 80 GLN H H 1 7.994 0.002 . 1 . . . . 80 GLN HN . 18092 1 920 . 1 1 80 80 GLN HA H 1 3.917 0.004 . 1 . . . . 80 GLN HA . 18092 1 921 . 1 1 80 80 GLN HB2 H 1 2.095 0.009 . 1 . . . . 80 GLN HB2 . 18092 1 922 . 1 1 80 80 GLN HB3 H 1 2.232 0.016 . 1 . . . . 80 GLN HB3 . 18092 1 923 . 1 1 80 80 GLN HG2 H 1 2.548 0.007 . 2 . . . . 80 GLN HG2 . 18092 1 924 . 1 1 80 80 GLN HG3 H 1 2.435 0.004 . 2 . . . . 80 GLN HG3 . 18092 1 925 . 1 1 80 80 GLN HE21 H 1 7.338 0.002 . 2 . . . . 80 GLN HE21 . 18092 1 926 . 1 1 80 80 GLN HE22 H 1 6.855 0.004 . 2 . . . . 80 GLN HE22 . 18092 1 927 . 1 1 80 80 GLN C C 13 178.614 0.100 . 1 . . . . 80 GLN C . 18092 1 928 . 1 1 80 80 GLN CA C 13 58.904 0.042 . 1 . . . . 80 GLN CA . 18092 1 929 . 1 1 80 80 GLN CB C 13 28.514 0.070 . 1 . . . . 80 GLN CB . 18092 1 930 . 1 1 80 80 GLN CG C 13 34.135 0.007 . 1 . . . . 80 GLN CG . 18092 1 931 . 1 1 80 80 GLN N N 15 116.260 0.040 . 1 . . . . 80 GLN N . 18092 1 932 . 1 1 80 80 GLN NE2 N 15 111.868 0.206 . 1 . . . . 80 GLN NE2 . 18092 1 933 . 1 1 81 81 ARG H H 1 7.654 0.004 . 1 . . . . 81 ARG HN . 18092 1 934 . 1 1 81 81 ARG HA H 1 4.142 0.006 . 1 . . . . 81 ARG HA . 18092 1 935 . 1 1 81 81 ARG HB2 H 1 1.913 0.011 . 1 . . . . 81 ARG HB2 . 18092 1 936 . 1 1 81 81 ARG HB3 H 1 2.006 0.011 . 1 . . . . 81 ARG HB3 . 18092 1 937 . 1 1 81 81 ARG HG2 H 1 1.623 0.003 . 2 . . . . 81 ARG HG2 . 18092 1 938 . 1 1 81 81 ARG HG3 H 1 1.955 0.004 . 2 . . . . 81 ARG HG3 . 18092 1 939 . 1 1 81 81 ARG HD2 H 1 3.123 0.005 . 2 . . . . 81 ARG HD2 . 18092 1 940 . 1 1 81 81 ARG HD3 H 1 3.123 0.005 . 2 . . . . 81 ARG HD3 . 18092 1 941 . 1 1 81 81 ARG HE H 1 7.793 0.002 . 1 . . . . 81 ARG HE . 18092 1 942 . 1 1 81 81 ARG C C 13 178.730 0.100 . 1 . . . . 81 ARG C . 18092 1 943 . 1 1 81 81 ARG CA C 13 57.033 0.061 . 1 . . . . 81 ARG CA . 18092 1 944 . 1 1 81 81 ARG CB C 13 28.856 0.114 . 1 . . . . 81 ARG CB . 18092 1 945 . 1 1 81 81 ARG CG C 13 25.354 0.027 . 1 . . . . 81 ARG CG . 18092 1 946 . 1 1 81 81 ARG CD C 13 41.765 0.030 . 1 . . . . 81 ARG CD . 18092 1 947 . 1 1 81 81 ARG N N 15 118.448 0.034 . 1 . . . . 81 ARG N . 18092 1 948 . 1 1 81 81 ARG NE N 15 82.449 0.017 . 1 . . . . 81 ARG NE . 18092 1 949 . 1 1 82 82 LEU H H 1 8.281 0.004 . 1 . . . . 82 LEU HN . 18092 1 950 . 1 1 82 82 LEU HA H 1 4.013 0.006 . 1 . . . . 82 LEU HA . 18092 1 951 . 1 1 82 82 LEU HB2 H 1 1.483 0.005 . 1 . . . . 82 LEU HB2 . 18092 1 952 . 1 1 82 82 LEU HB3 H 1 1.694 0.003 . 1 . . . . 82 LEU HB3 . 18092 1 953 . 1 1 82 82 LEU HG H 1 1.789 0.004 . 1 . . . . 82 LEU HG . 18092 1 954 . 1 1 82 82 LEU HD11 H 1 0.633 0.007 . 1 . . . . 82 LEU HD11 . 18092 1 955 . 1 1 82 82 LEU HD12 H 1 0.633 0.007 . 1 . . . . 82 LEU HD12 . 18092 1 956 . 1 1 82 82 LEU HD13 H 1 0.633 0.007 . 1 . . . . 82 LEU HD13 . 18092 1 957 . 1 1 82 82 LEU HD21 H 1 0.577 0.008 . 1 . . . . 82 LEU HD21 . 18092 1 958 . 1 1 82 82 LEU HD22 H 1 0.577 0.008 . 1 . . . . 82 LEU HD22 . 18092 1 959 . 1 1 82 82 LEU HD23 H 1 0.577 0.008 . 1 . . . . 82 LEU HD23 . 18092 1 960 . 1 1 82 82 LEU C C 13 178.727 0.100 . 1 . . . . 82 LEU C . 18092 1 961 . 1 1 82 82 LEU CA C 13 57.769 0.053 . 1 . . . . 82 LEU CA . 18092 1 962 . 1 1 82 82 LEU CB C 13 41.554 0.057 . 1 . . . . 82 LEU CB . 18092 1 963 . 1 1 82 82 LEU CG C 13 26.755 0.011 . 1 . . . . 82 LEU CG . 18092 1 964 . 1 1 82 82 LEU CD1 C 13 25.786 0.034 . 1 . . . . 82 LEU CD1 . 18092 1 965 . 1 1 82 82 LEU CD2 C 13 23.230 0.059 . 1 . . . . 82 LEU CD2 . 18092 1 966 . 1 1 82 82 LEU N N 15 116.778 0.035 . 1 . . . . 82 LEU N . 18092 1 967 . 1 1 83 83 LYS H H 1 7.210 0.004 . 1 . . . . 83 LYS HN . 18092 1 968 . 1 1 83 83 LYS HA H 1 4.100 0.003 . 1 . . . . 83 LYS HA . 18092 1 969 . 1 1 83 83 LYS HB2 H 1 1.830 0.002 . 2 . . . . 83 LYS HB2 . 18092 1 970 . 1 1 83 83 LYS HB3 H 1 1.830 0.002 . 2 . . . . 83 LYS HB3 . 18092 1 971 . 1 1 83 83 LYS HG2 H 1 1.707 0.050 . 2 . . . . 83 LYS HG2 . 18092 1 972 . 1 1 83 83 LYS HG3 H 1 1.707 0.050 . 2 . . . . 83 LYS HG3 . 18092 1 973 . 1 1 83 83 LYS HD2 H 1 1.591 0.007 . 2 . . . . 83 LYS HD2 . 18092 1 974 . 1 1 83 83 LYS HD3 H 1 1.591 0.007 . 2 . . . . 83 LYS HD3 . 18092 1 975 . 1 1 83 83 LYS HE2 H 1 2.838 0.031 . 2 . . . . 83 LYS HE2 . 18092 1 976 . 1 1 83 83 LYS HE3 H 1 2.838 0.031 . 2 . . . . 83 LYS HE3 . 18092 1 977 . 1 1 83 83 LYS C C 13 177.351 0.100 . 1 . . . . 83 LYS C . 18092 1 978 . 1 1 83 83 LYS CA C 13 58.115 0.049 . 1 . . . . 83 LYS CA . 18092 1 979 . 1 1 83 83 LYS CB C 13 32.625 0.014 . 1 . . . . 83 LYS CB . 18092 1 980 . 1 1 83 83 LYS N N 15 114.654 0.042 . 1 . . . . 83 LYS N . 18092 1 981 . 1 1 84 84 LEU H H 1 7.383 0.002 . 1 . . . . 84 LEU HN . 18092 1 982 . 1 1 84 84 LEU HA H 1 4.005 0.009 . 1 . . . . 84 LEU HA . 18092 1 983 . 1 1 84 84 LEU HB2 H 1 1.235 0.004 . 1 . . . . 84 LEU HB2 . 18092 1 984 . 1 1 84 84 LEU HB3 H 1 1.716 0.010 . 1 . . . . 84 LEU HB3 . 18092 1 985 . 1 1 84 84 LEU HG H 1 1.695 0.008 . 1 . . . . 84 LEU HG . 18092 1 986 . 1 1 84 84 LEU HD11 H 1 0.875 0.005 . 1 . . . . 84 LEU HD11 . 18092 1 987 . 1 1 84 84 LEU HD12 H 1 0.875 0.005 . 1 . . . . 84 LEU HD12 . 18092 1 988 . 1 1 84 84 LEU HD13 H 1 0.875 0.005 . 1 . . . . 84 LEU HD13 . 18092 1 989 . 1 1 84 84 LEU HD21 H 1 0.731 0.003 . 1 . . . . 84 LEU HD21 . 18092 1 990 . 1 1 84 84 LEU HD22 H 1 0.731 0.003 . 1 . . . . 84 LEU HD22 . 18092 1 991 . 1 1 84 84 LEU HD23 H 1 0.731 0.003 . 1 . . . . 84 LEU HD23 . 18092 1 992 . 1 1 84 84 LEU C C 13 176.614 0.100 . 1 . . . . 84 LEU C . 18092 1 993 . 1 1 84 84 LEU CA C 13 55.724 0.064 . 1 . . . . 84 LEU CA . 18092 1 994 . 1 1 84 84 LEU CB C 13 41.260 0.031 . 1 . . . . 84 LEU CB . 18092 1 995 . 1 1 84 84 LEU CD1 C 13 25.174 0.068 . 1 . . . . 84 LEU CD1 . 18092 1 996 . 1 1 84 84 LEU CD2 C 13 22.450 0.019 . 1 . . . . 84 LEU CD2 . 18092 1 997 . 1 1 84 84 LEU N N 15 117.279 0.032 . 1 . . . . 84 LEU N . 18092 1 998 . 1 1 85 85 TYR H H 1 7.777 0.003 . 1 . . . . 85 TYR HN . 18092 1 999 . 1 1 85 85 TYR HA H 1 4.399 0.004 . 1 . . . . 85 TYR HA . 18092 1 1000 . 1 1 85 85 TYR HB2 H 1 2.801 0.003 . 2 . . . . 85 TYR HB2 . 18092 1 1001 . 1 1 85 85 TYR HB3 H 1 2.801 0.003 . 2 . . . . 85 TYR HB3 . 18092 1 1002 . 1 1 85 85 TYR HD1 H 1 7.134 0.006 . 3 . . . . 85 TYR HD1 . 18092 1 1003 . 1 1 85 85 TYR HD2 H 1 7.134 0.006 . 3 . . . . 85 TYR HD2 . 18092 1 1004 . 1 1 85 85 TYR HE1 H 1 6.615 0.007 . 3 . . . . 85 TYR HE1 . 18092 1 1005 . 1 1 85 85 TYR HE2 H 1 6.615 0.007 . 3 . . . . 85 TYR HE2 . 18092 1 1006 . 1 1 85 85 TYR CA C 13 58.088 0.030 . 1 . . . . 85 TYR CA . 18092 1 1007 . 1 1 85 85 TYR CB C 13 40.124 0.100 . 1 . . . . 85 TYR CB . 18092 1 1008 . 1 1 85 85 TYR N N 15 119.156 0.030 . 1 . . . . 85 TYR N . 18092 1 1009 . 1 1 86 86 ASN H H 1 7.764 0.050 . 1 . . . . 86 ASN HN . 18092 1 1010 . 1 1 86 86 ASN HA H 1 4.625 0.004 . 1 . . . . 86 ASN HA . 18092 1 1011 . 1 1 86 86 ASN HB2 H 1 2.777 0.006 . 2 . . . . 86 ASN HB2 . 18092 1 1012 . 1 1 86 86 ASN HB3 H 1 2.777 0.006 . 2 . . . . 86 ASN HB3 . 18092 1 1013 . 1 1 86 86 ASN HD21 H 1 7.584 0.003 . 2 . . . . 86 ASN HD21 . 18092 1 1014 . 1 1 86 86 ASN HD22 H 1 6.895 0.003 . 2 . . . . 86 ASN HD22 . 18092 1 1015 . 1 1 86 86 ASN C C 13 174.975 0.100 . 1 . . . . 86 ASN C . 18092 1 1016 . 1 1 86 86 ASN CA C 13 54.121 0.088 . 1 . . . . 86 ASN CA . 18092 1 1017 . 1 1 86 86 ASN CB C 13 39.372 0.045 . 1 . . . . 86 ASN CB . 18092 1 1018 . 1 1 86 86 ASN N N 15 114.743 0.050 . 1 . . . . 86 ASN N . 18092 1 1019 . 1 1 86 86 ASN ND2 N 15 112.726 0.164 . 1 . . . . 86 ASN ND2 . 18092 1 1020 . 1 1 87 87 LYS H H 1 7.752 0.004 . 1 . . . . 87 LYS HN . 18092 1 1021 . 1 1 87 87 LYS HA H 1 4.591 0.005 . 1 . . . . 87 LYS HA . 18092 1 1022 . 1 1 87 87 LYS HB2 H 1 1.687 0.016 . 1 . . . . 87 LYS HB2 . 18092 1 1023 . 1 1 87 87 LYS HB3 H 1 1.853 0.003 . 1 . . . . 87 LYS HB3 . 18092 1 1024 . 1 1 87 87 LYS HG2 H 1 1.197 0.008 . 2 . . . . 87 LYS HG2 . 18092 1 1025 . 1 1 87 87 LYS HG3 H 1 1.295 0.010 . 2 . . . . 87 LYS HG3 . 18092 1 1026 . 1 1 87 87 LYS HD2 H 1 1.385 0.003 . 2 . . . . 87 LYS HD2 . 18092 1 1027 . 1 1 87 87 LYS HD3 H 1 1.385 0.003 . 2 . . . . 87 LYS HD3 . 18092 1 1028 . 1 1 87 87 LYS HE2 H 1 2.973 0.007 . 2 . . . . 87 LYS HE2 . 18092 1 1029 . 1 1 87 87 LYS HE3 H 1 2.973 0.007 . 2 . . . . 87 LYS HE3 . 18092 1 1030 . 1 1 87 87 LYS C C 13 175.093 0.100 . 1 . . . . 87 LYS C . 18092 1 1031 . 1 1 87 87 LYS CA C 13 54.588 0.060 . 1 . . . . 87 LYS CA . 18092 1 1032 . 1 1 87 87 LYS CB C 13 35.204 0.049 . 1 . . . . 87 LYS CB . 18092 1 1033 . 1 1 87 87 LYS CG C 13 24.876 0.014 . 1 . . . . 87 LYS CG . 18092 1 1034 . 1 1 87 87 LYS N N 15 115.723 0.035 . 1 . . . . 87 LYS N . 18092 1 1035 . 1 1 88 88 VAL H H 1 8.472 0.003 . 1 . . . . 88 VAL HN . 18092 1 1036 . 1 1 88 88 VAL HA H 1 3.753 0.013 . 1 . . . . 88 VAL HA . 18092 1 1037 . 1 1 88 88 VAL HB H 1 1.894 0.010 . 1 . . . . 88 VAL HB . 18092 1 1038 . 1 1 88 88 VAL HG11 H 1 0.969 0.005 . 1 . . . . 88 VAL HG11 . 18092 1 1039 . 1 1 88 88 VAL HG12 H 1 0.969 0.005 . 1 . . . . 88 VAL HG12 . 18092 1 1040 . 1 1 88 88 VAL HG13 H 1 0.969 0.005 . 1 . . . . 88 VAL HG13 . 18092 1 1041 . 1 1 88 88 VAL HG21 H 1 0.717 0.008 . 1 . . . . 88 VAL HG21 . 18092 1 1042 . 1 1 88 88 VAL HG22 H 1 0.717 0.008 . 1 . . . . 88 VAL HG22 . 18092 1 1043 . 1 1 88 88 VAL HG23 H 1 0.717 0.008 . 1 . . . . 88 VAL HG23 . 18092 1 1044 . 1 1 88 88 VAL CA C 13 62.389 0.158 . 1 . . . . 88 VAL CA . 18092 1 1045 . 1 1 88 88 VAL CB C 13 32.892 0.100 . 1 . . . . 88 VAL CB . 18092 1 1046 . 1 1 88 88 VAL CG1 C 13 21.501 0.076 . 1 . . . . 88 VAL CG1 . 18092 1 1047 . 1 1 88 88 VAL CG2 C 13 23.863 0.062 . 1 . . . . 88 VAL CG2 . 18092 1 1048 . 1 1 88 88 VAL N N 15 124.643 0.036 . 1 . . . . 88 VAL N . 18092 1 1049 . 1 1 89 89 PRO HA H 1 4.618 0.006 . 1 . . . . 89 PRO HA . 18092 1 1050 . 1 1 89 89 PRO HB2 H 1 2.057 0.009 . 2 . . . . 89 PRO HB2 . 18092 1 1051 . 1 1 89 89 PRO HB3 H 1 2.455 0.006 . 2 . . . . 89 PRO HB3 . 18092 1 1052 . 1 1 89 89 PRO HG2 H 1 2.095 0.050 . 2 . . . . 89 PRO HG2 . 18092 1 1053 . 1 1 89 89 PRO HG3 H 1 1.965 0.005 . 2 . . . . 89 PRO HG3 . 18092 1 1054 . 1 1 89 89 PRO HD2 H 1 3.137 0.006 . 2 . . . . 89 PRO HD2 . 18092 1 1055 . 1 1 89 89 PRO HD3 H 1 3.137 0.006 . 2 . . . . 89 PRO HD3 . 18092 1 1056 . 1 1 89 89 PRO CA C 13 62.660 0.223 . 1 . . . . 89 PRO CA . 18092 1 1057 . 1 1 89 89 PRO CB C 13 30.339 0.050 . 1 . . . . 89 PRO CB . 18092 1 1058 . 1 1 89 89 PRO CD C 13 51.708 0.125 . 1 . . . . 89 PRO CD . 18092 1 1059 . 1 1 90 90 PRO HA H 1 4.196 0.003 . 1 . . . . 90 PRO HA . 18092 1 1060 . 1 1 90 90 PRO HB2 H 1 1.863 0.006 . 2 . . . . 90 PRO HB2 . 18092 1 1061 . 1 1 90 90 PRO HB3 H 1 2.288 0.005 . 2 . . . . 90 PRO HB3 . 18092 1 1062 . 1 1 90 90 PRO HD2 H 1 3.793 0.006 . 2 . . . . 90 PRO HD2 . 18092 1 1063 . 1 1 90 90 PRO HD3 H 1 3.914 0.006 . 2 . . . . 90 PRO HD3 . 18092 1 1064 . 1 1 90 90 PRO C C 13 177.614 0.100 . 1 . . . . 90 PRO C . 18092 1 1065 . 1 1 90 90 PRO CA C 13 66.376 0.139 . 1 . . . . 90 PRO CA . 18092 1 1066 . 1 1 90 90 PRO CB C 13 32.540 0.100 . 1 . . . . 90 PRO CB . 18092 1 1067 . 1 1 90 90 PRO CD C 13 50.529 0.035 . 1 . . . . 90 PRO CD . 18092 1 1068 . 1 1 91 91 ASN H H 1 9.227 0.003 . 1 . . . . 91 ASN HN . 18092 1 1069 . 1 1 91 91 ASN HA H 1 4.771 0.004 . 1 . . . . 91 ASN HA . 18092 1 1070 . 1 1 91 91 ASN HB2 H 1 2.669 0.005 . 1 . . . . 91 ASN HB2 . 18092 1 1071 . 1 1 91 91 ASN HB3 H 1 3.045 0.004 . 1 . . . . 91 ASN HB3 . 18092 1 1072 . 1 1 91 91 ASN HD21 H 1 6.225 0.004 . 2 . . . . 91 ASN HD21 . 18092 1 1073 . 1 1 91 91 ASN HD22 H 1 7.038 0.003 . 2 . . . . 91 ASN HD22 . 18092 1 1074 . 1 1 91 91 ASN C C 13 174.942 0.100 . 1 . . . . 91 ASN C . 18092 1 1075 . 1 1 91 91 ASN CA C 13 52.346 0.054 . 1 . . . . 91 ASN CA . 18092 1 1076 . 1 1 91 91 ASN CB C 13 37.916 0.034 . 1 . . . . 91 ASN CB . 18092 1 1077 . 1 1 91 91 ASN N N 15 112.190 0.039 . 1 . . . . 91 ASN N . 18092 1 1078 . 1 1 91 91 ASN ND2 N 15 106.737 0.059 . 1 . . . . 91 ASN ND2 . 18092 1 1079 . 1 1 92 92 GLY H H 1 7.955 0.003 . 1 . . . . 92 GLY HN . 18092 1 1080 . 1 1 92 92 GLY HA2 H 1 4.458 0.009 . 2 . . . . 92 GLY HA2 . 18092 1 1081 . 1 1 92 92 GLY HA3 H 1 3.070 0.013 . 2 . . . . 92 GLY HA3 . 18092 1 1082 . 1 1 92 92 GLY C C 13 170.710 0.100 . 1 . . . . 92 GLY C . 18092 1 1083 . 1 1 92 92 GLY CA C 13 43.395 0.070 . 1 . . . . 92 GLY CA . 18092 1 1084 . 1 1 92 92 GLY N N 15 108.202 0.043 . 1 . . . . 92 GLY N . 18092 1 1085 . 1 1 93 93 LEU H H 1 8.674 0.003 . 1 . . . . 93 LEU HN . 18092 1 1086 . 1 1 93 93 LEU HA H 1 4.483 0.006 . 1 . . . . 93 LEU HA . 18092 1 1087 . 1 1 93 93 LEU HB2 H 1 1.298 0.008 . 1 . . . . 93 LEU HB2 . 18092 1 1088 . 1 1 93 93 LEU HB3 H 1 0.710 0.007 . 1 . . . . 93 LEU HB3 . 18092 1 1089 . 1 1 93 93 LEU HG H 1 0.925 0.007 . 1 . . . . 93 LEU HG . 18092 1 1090 . 1 1 93 93 LEU HD11 H 1 -0.097 0.008 . 1 . . . . 93 LEU HD11 . 18092 1 1091 . 1 1 93 93 LEU HD12 H 1 -0.097 0.008 . 1 . . . . 93 LEU HD12 . 18092 1 1092 . 1 1 93 93 LEU HD13 H 1 -0.097 0.008 . 1 . . . . 93 LEU HD13 . 18092 1 1093 . 1 1 93 93 LEU HD21 H 1 0.253 0.005 . 1 . . . . 93 LEU HD21 . 18092 1 1094 . 1 1 93 93 LEU HD22 H 1 0.253 0.005 . 1 . . . . 93 LEU HD22 . 18092 1 1095 . 1 1 93 93 LEU HD23 H 1 0.253 0.005 . 1 . . . . 93 LEU HD23 . 18092 1 1096 . 1 1 93 93 LEU C C 13 172.990 0.100 . 1 . . . . 93 LEU C . 18092 1 1097 . 1 1 93 93 LEU CA C 13 54.166 0.101 . 1 . . . . 93 LEU CA . 18092 1 1098 . 1 1 93 93 LEU CB C 13 47.819 0.077 . 1 . . . . 93 LEU CB . 18092 1 1099 . 1 1 93 93 LEU CG C 13 26.879 0.060 . 1 . . . . 93 LEU CG . 18092 1 1100 . 1 1 93 93 LEU CD1 C 13 24.947 0.043 . 1 . . . . 93 LEU CD1 . 18092 1 1101 . 1 1 93 93 LEU CD2 C 13 22.780 0.069 . 1 . . . . 93 LEU CD2 . 18092 1 1102 . 1 1 93 93 LEU N N 15 116.921 0.043 . 1 . . . . 93 LEU N . 18092 1 1103 . 1 1 94 94 VAL H H 1 8.212 0.004 . 1 . . . . 94 VAL HN . 18092 1 1104 . 1 1 94 94 VAL HA H 1 4.252 0.010 . 1 . . . . 94 VAL HA . 18092 1 1105 . 1 1 94 94 VAL HB H 1 0.673 0.007 . 1 . . . . 94 VAL HB . 18092 1 1106 . 1 1 94 94 VAL HG11 H 1 0.414 0.004 . 2 . . . . 94 VAL HG11 . 18092 1 1107 . 1 1 94 94 VAL HG12 H 1 0.414 0.004 . 2 . . . . 94 VAL HG12 . 18092 1 1108 . 1 1 94 94 VAL HG13 H 1 0.414 0.004 . 2 . . . . 94 VAL HG13 . 18092 1 1109 . 1 1 94 94 VAL HG21 H 1 0.420 0.004 . 2 . . . . 94 VAL HG21 . 18092 1 1110 . 1 1 94 94 VAL HG22 H 1 0.420 0.004 . 2 . . . . 94 VAL HG22 . 18092 1 1111 . 1 1 94 94 VAL HG23 H 1 0.420 0.004 . 2 . . . . 94 VAL HG23 . 18092 1 1112 . 1 1 94 94 VAL C C 13 173.736 0.100 . 1 . . . . 94 VAL C . 18092 1 1113 . 1 1 94 94 VAL CA C 13 60.871 0.030 . 1 . . . . 94 VAL CA . 18092 1 1114 . 1 1 94 94 VAL CB C 13 32.758 0.077 . 1 . . . . 94 VAL CB . 18092 1 1115 . 1 1 94 94 VAL CG1 C 13 23.224 0.059 . 2 . . . . 94 VAL CG1 . 18092 1 1116 . 1 1 94 94 VAL CG2 C 13 21.349 0.034 . 2 . . . . 94 VAL CG2 . 18092 1 1117 . 1 1 94 94 VAL N N 15 125.788 0.025 . 1 . . . . 94 VAL N . 18092 1 1118 . 1 1 95 95 VAL H H 1 8.874 0.005 . 1 . . . . 95 VAL HN . 18092 1 1119 . 1 1 95 95 VAL HA H 1 4.781 0.010 . 1 . . . . 95 VAL HA . 18092 1 1120 . 1 1 95 95 VAL HB H 1 1.901 0.006 . 1 . . . . 95 VAL HB . 18092 1 1121 . 1 1 95 95 VAL HG11 H 1 0.924 0.004 . 1 . . . . 95 VAL HG11 . 18092 1 1122 . 1 1 95 95 VAL HG12 H 1 0.924 0.004 . 1 . . . . 95 VAL HG12 . 18092 1 1123 . 1 1 95 95 VAL HG13 H 1 0.924 0.004 . 1 . . . . 95 VAL HG13 . 18092 1 1124 . 1 1 95 95 VAL HG21 H 1 0.578 0.007 . 1 . . . . 95 VAL HG21 . 18092 1 1125 . 1 1 95 95 VAL HG22 H 1 0.578 0.007 . 1 . . . . 95 VAL HG22 . 18092 1 1126 . 1 1 95 95 VAL HG23 H 1 0.578 0.007 . 1 . . . . 95 VAL HG23 . 18092 1 1127 . 1 1 95 95 VAL C C 13 173.339 0.100 . 1 . . . . 95 VAL C . 18092 1 1128 . 1 1 95 95 VAL CA C 13 60.693 0.092 . 1 . . . . 95 VAL CA . 18092 1 1129 . 1 1 95 95 VAL CB C 13 35.659 0.056 . 1 . . . . 95 VAL CB . 18092 1 1130 . 1 1 95 95 VAL CG1 C 13 22.882 0.046 . 1 . . . . 95 VAL CG1 . 18092 1 1131 . 1 1 95 95 VAL CG2 C 13 20.959 0.046 . 1 . . . . 95 VAL CG2 . 18092 1 1132 . 1 1 95 95 VAL N N 15 125.167 0.057 . 1 . . . . 95 VAL N . 18092 1 1133 . 1 1 96 96 TYR H H 1 8.736 0.003 . 1 . . . . 96 TYR HN . 18092 1 1134 . 1 1 96 96 TYR HA H 1 5.465 0.006 . 1 . . . . 96 TYR HA . 18092 1 1135 . 1 1 96 96 TYR HB2 H 1 1.743 0.016 . 1 . . . . 96 TYR HB2 . 18092 1 1136 . 1 1 96 96 TYR HB3 H 1 2.037 0.007 . 1 . . . . 96 TYR HB3 . 18092 1 1137 . 1 1 96 96 TYR HD1 H 1 6.888 0.013 . 3 . . . . 96 TYR HD1 . 18092 1 1138 . 1 1 96 96 TYR HD2 H 1 6.888 0.013 . 3 . . . . 96 TYR HD2 . 18092 1 1139 . 1 1 96 96 TYR HE1 H 1 6.582 0.004 . 3 . . . . 96 TYR HE1 . 18092 1 1140 . 1 1 96 96 TYR HE2 H 1 6.582 0.004 . 3 . . . . 96 TYR HE2 . 18092 1 1141 . 1 1 96 96 TYR C C 13 175.694 0.100 . 1 . . . . 96 TYR C . 18092 1 1142 . 1 1 96 96 TYR CA C 13 56.672 0.059 . 1 . . . . 96 TYR CA . 18092 1 1143 . 1 1 96 96 TYR CB C 13 40.997 0.157 . 1 . . . . 96 TYR CB . 18092 1 1144 . 1 1 96 96 TYR N N 15 123.256 0.042 . 1 . . . . 96 TYR N . 18092 1 1145 . 1 1 97 97 CYS H H 1 8.710 0.005 . 1 . . . . 97 CYS HN . 18092 1 1146 . 1 1 97 97 CYS HA H 1 5.723 0.008 . 1 . . . . 97 CYS HA . 18092 1 1147 . 1 1 97 97 CYS HB2 H 1 2.862 0.012 . 2 . . . . 97 CYS HB2 . 18092 1 1148 . 1 1 97 97 CYS HB3 H 1 2.782 0.010 . 2 . . . . 97 CYS HB3 . 18092 1 1149 . 1 1 97 97 CYS C C 13 173.635 0.100 . 1 . . . . 97 CYS C . 18092 1 1150 . 1 1 97 97 CYS CA C 13 56.800 0.073 . 1 . . . . 97 CYS CA . 18092 1 1151 . 1 1 97 97 CYS CB C 13 32.574 0.071 . 1 . . . . 97 CYS CB . 18092 1 1152 . 1 1 97 97 CYS N N 15 119.230 0.023 . 1 . . . . 97 CYS N . 18092 1 1153 . 1 1 98 98 GLY H H 1 8.949 0.003 . 1 . . . . 98 GLY HN . 18092 1 1154 . 1 1 98 98 GLY HA2 H 1 4.471 0.011 . 2 . . . . 98 GLY HA2 . 18092 1 1155 . 1 1 98 98 GLY HA3 H 1 4.557 0.014 . 2 . . . . 98 GLY HA3 . 18092 1 1156 . 1 1 98 98 GLY C C 13 171.344 0.100 . 1 . . . . 98 GLY C . 18092 1 1157 . 1 1 98 98 GLY CA C 13 46.370 0.027 . 1 . . . . 98 GLY CA . 18092 1 1158 . 1 1 98 98 GLY N N 15 111.517 0.045 . 1 . . . . 98 GLY N . 18092 1 1159 . 1 1 99 99 THR H H 1 8.032 0.003 . 1 . . . . 99 THR HN . 18092 1 1160 . 1 1 99 99 THR HA H 1 4.962 0.006 . 1 . . . . 99 THR HA . 18092 1 1161 . 1 1 99 99 THR HB H 1 3.911 0.010 . 1 . . . . 99 THR HB . 18092 1 1162 . 1 1 99 99 THR HG21 H 1 1.080 0.006 . 1 . . . . 99 THR HG21 . 18092 1 1163 . 1 1 99 99 THR HG22 H 1 1.080 0.006 . 1 . . . . 99 THR HG22 . 18092 1 1164 . 1 1 99 99 THR HG23 H 1 1.080 0.006 . 1 . . . . 99 THR HG23 . 18092 1 1165 . 1 1 99 99 THR C C 13 173.271 0.100 . 1 . . . . 99 THR C . 18092 1 1166 . 1 1 99 99 THR CA C 13 62.512 0.103 . 1 . . . . 99 THR CA . 18092 1 1167 . 1 1 99 99 THR CB C 13 70.307 0.141 . 1 . . . . 99 THR CB . 18092 1 1168 . 1 1 99 99 THR CG2 C 13 22.129 0.094 . 1 . . . . 99 THR CG2 . 18092 1 1169 . 1 1 99 99 THR N N 15 118.145 0.027 . 1 . . . . 99 THR N . 18092 1 1170 . 1 1 100 100 ILE H H 1 8.993 0.004 . 1 . . . . 100 ILE HN . 18092 1 1171 . 1 1 100 100 ILE HA H 1 4.655 0.011 . 1 . . . . 100 ILE HA . 18092 1 1172 . 1 1 100 100 ILE HB H 1 1.950 0.011 . 1 . . . . 100 ILE HB . 18092 1 1173 . 1 1 100 100 ILE HG12 H 1 1.275 0.008 . 2 . . . . 100 ILE HG12 . 18092 1 1174 . 1 1 100 100 ILE HG13 H 1 1.275 0.008 . 2 . . . . 100 ILE HG13 . 18092 1 1175 . 1 1 100 100 ILE HG21 H 1 0.724 0.006 . 1 . . . . 100 ILE HG21 . 18092 1 1176 . 1 1 100 100 ILE HG22 H 1 0.724 0.006 . 1 . . . . 100 ILE HG22 . 18092 1 1177 . 1 1 100 100 ILE HG23 H 1 0.724 0.006 . 1 . . . . 100 ILE HG23 . 18092 1 1178 . 1 1 100 100 ILE HD11 H 1 0.755 0.004 . 1 . . . . 100 ILE HD11 . 18092 1 1179 . 1 1 100 100 ILE HD12 H 1 0.755 0.004 . 1 . . . . 100 ILE HD12 . 18092 1 1180 . 1 1 100 100 ILE HD13 H 1 0.755 0.004 . 1 . . . . 100 ILE HD13 . 18092 1 1181 . 1 1 100 100 ILE C C 13 174.513 0.100 . 1 . . . . 100 ILE C . 18092 1 1182 . 1 1 100 100 ILE CA C 13 59.247 0.055 . 1 . . . . 100 ILE CA . 18092 1 1183 . 1 1 100 100 ILE CB C 13 40.846 0.063 . 1 . . . . 100 ILE CB . 18092 1 1184 . 1 1 100 100 ILE CG2 C 13 18.537 0.054 . 1 . . . . 100 ILE CG2 . 18092 1 1185 . 1 1 100 100 ILE CD1 C 13 14.457 0.112 . 1 . . . . 100 ILE CD1 . 18092 1 1186 . 1 1 100 100 ILE N N 15 122.297 0.036 . 1 . . . . 100 ILE N . 18092 1 1187 . 1 1 101 101 VAL H H 1 8.436 0.003 . 1 . . . . 101 VAL HN . 18092 1 1188 . 1 1 101 101 VAL HA H 1 4.802 0.004 . 1 . . . . 101 VAL HA . 18092 1 1189 . 1 1 101 101 VAL HB H 1 1.754 0.004 . 1 . . . . 101 VAL HB . 18092 1 1190 . 1 1 101 101 VAL HG11 H 1 0.832 0.005 . 2 . . . . 101 VAL HG11 . 18092 1 1191 . 1 1 101 101 VAL HG12 H 1 0.832 0.005 . 2 . . . . 101 VAL HG12 . 18092 1 1192 . 1 1 101 101 VAL HG13 H 1 0.832 0.005 . 2 . . . . 101 VAL HG13 . 18092 1 1193 . 1 1 101 101 VAL HG21 H 1 0.792 0.008 . 2 . . . . 101 VAL HG21 . 18092 1 1194 . 1 1 101 101 VAL HG22 H 1 0.792 0.008 . 2 . . . . 101 VAL HG22 . 18092 1 1195 . 1 1 101 101 VAL HG23 H 1 0.792 0.008 . 2 . . . . 101 VAL HG23 . 18092 1 1196 . 1 1 101 101 VAL C C 13 177.410 0.100 . 1 . . . . 101 VAL C . 18092 1 1197 . 1 1 101 101 VAL CA C 13 60.992 0.091 . 1 . . . . 101 VAL CA . 18092 1 1198 . 1 1 101 101 VAL CB C 13 33.386 0.052 . 1 . . . . 101 VAL CB . 18092 1 1199 . 1 1 101 101 VAL CG1 C 13 21.250 0.091 . 2 . . . . 101 VAL CG1 . 18092 1 1200 . 1 1 101 101 VAL CG2 C 13 21.345 0.042 . 2 . . . . 101 VAL CG2 . 18092 1 1201 . 1 1 101 101 VAL N N 15 120.403 0.031 . 1 . . . . 101 VAL N . 18092 1 1202 . 1 1 102 102 THR H H 1 8.983 0.003 . 1 . . . . 102 THR HN . 18092 1 1203 . 1 1 102 102 THR HA H 1 4.499 0.007 . 1 . . . . 102 THR HA . 18092 1 1204 . 1 1 102 102 THR HB H 1 4.674 0.011 . 1 . . . . 102 THR HB . 18092 1 1205 . 1 1 102 102 THR HG21 H 1 1.189 0.008 . 1 . . . . 102 THR HG21 . 18092 1 1206 . 1 1 102 102 THR HG22 H 1 1.189 0.008 . 1 . . . . 102 THR HG22 . 18092 1 1207 . 1 1 102 102 THR HG23 H 1 1.189 0.008 . 1 . . . . 102 THR HG23 . 18092 1 1208 . 1 1 102 102 THR C C 13 176.695 0.100 . 1 . . . . 102 THR C . 18092 1 1209 . 1 1 102 102 THR CA C 13 61.023 0.084 . 1 . . . . 102 THR CA . 18092 1 1210 . 1 1 102 102 THR CB C 13 71.707 0.098 . 1 . . . . 102 THR CB . 18092 1 1211 . 1 1 102 102 THR CG2 C 13 21.965 0.012 . 1 . . . . 102 THR CG2 . 18092 1 1212 . 1 1 102 102 THR N N 15 118.137 0.034 . 1 . . . . 102 THR N . 18092 1 1213 . 1 1 103 103 GLU H H 1 9.388 0.010 . 1 . . . . 103 GLU HN . 18092 1 1214 . 1 1 103 103 GLU HA H 1 4.086 0.004 . 1 . . . . 103 GLU HA . 18092 1 1215 . 1 1 103 103 GLU HB2 H 1 2.055 0.003 . 2 . . . . 103 GLU HB2 . 18092 1 1216 . 1 1 103 103 GLU HB3 H 1 2.055 0.003 . 2 . . . . 103 GLU HB3 . 18092 1 1217 . 1 1 103 103 GLU HG2 H 1 2.339 0.030 . 2 . . . . 103 GLU HG2 . 18092 1 1218 . 1 1 103 103 GLU HG3 H 1 2.339 0.030 . 2 . . . . 103 GLU HG3 . 18092 1 1219 . 1 1 103 103 GLU C C 13 177.231 0.100 . 1 . . . . 103 GLU C . 18092 1 1220 . 1 1 103 103 GLU CA C 13 59.338 0.061 . 1 . . . . 103 GLU CA . 18092 1 1221 . 1 1 103 103 GLU CB C 13 29.293 0.033 . 1 . . . . 103 GLU CB . 18092 1 1222 . 1 1 103 103 GLU N N 15 121.413 0.089 . 1 . . . . 103 GLU N . 18092 1 1223 . 1 1 104 104 GLU H H 1 7.868 0.004 . 1 . . . . 104 GLU HN . 18092 1 1224 . 1 1 104 104 GLU HA H 1 4.323 0.004 . 1 . . . . 104 GLU HA . 18092 1 1225 . 1 1 104 104 GLU HB2 H 1 2.128 0.008 . 1 . . . . 104 GLU HB2 . 18092 1 1226 . 1 1 104 104 GLU HB3 H 1 1.845 0.008 . 1 . . . . 104 GLU HB3 . 18092 1 1227 . 1 1 104 104 GLU HG2 H 1 2.223 0.010 . 2 . . . . 104 GLU HG2 . 18092 1 1228 . 1 1 104 104 GLU HG3 H 1 2.223 0.010 . 2 . . . . 104 GLU HG3 . 18092 1 1229 . 1 1 104 104 GLU C C 13 176.539 0.100 . 1 . . . . 104 GLU C . 18092 1 1230 . 1 1 104 104 GLU CA C 13 56.639 0.057 . 1 . . . . 104 GLU CA . 18092 1 1231 . 1 1 104 104 GLU CB C 13 30.107 0.052 . 1 . . . . 104 GLU CB . 18092 1 1232 . 1 1 104 104 GLU N N 15 115.523 0.048 . 1 . . . . 104 GLU N . 18092 1 1233 . 1 1 105 105 GLY H H 1 8.187 0.003 . 1 . . . . 105 GLY HN . 18092 1 1234 . 1 1 105 105 GLY HA2 H 1 3.514 0.007 . 2 . . . . 105 GLY HA2 . 18092 1 1235 . 1 1 105 105 GLY HA3 H 1 4.113 0.008 . 2 . . . . 105 GLY HA3 . 18092 1 1236 . 1 1 105 105 GLY C C 13 174.248 0.100 . 1 . . . . 105 GLY C . 18092 1 1237 . 1 1 105 105 GLY CA C 13 45.519 0.186 . 1 . . . . 105 GLY CA . 18092 1 1238 . 1 1 105 105 GLY N N 15 108.488 0.038 . 1 . . . . 105 GLY N . 18092 1 1239 . 1 1 106 106 LYS H H 1 7.071 0.003 . 1 . . . . 106 LYS HN . 18092 1 1240 . 1 1 106 106 LYS HA H 1 4.470 0.003 . 1 . . . . 106 LYS HA . 18092 1 1241 . 1 1 106 106 LYS HB2 H 1 1.812 0.009 . 1 . . . . 106 LYS HB2 . 18092 1 1242 . 1 1 106 106 LYS HB3 H 1 1.631 0.010 . 1 . . . . 106 LYS HB3 . 18092 1 1243 . 1 1 106 106 LYS HG2 H 1 1.274 0.004 . 2 . . . . 106 LYS HG2 . 18092 1 1244 . 1 1 106 106 LYS HG3 H 1 1.274 0.004 . 2 . . . . 106 LYS HG3 . 18092 1 1245 . 1 1 106 106 LYS HD2 H 1 1.621 0.050 . 2 . . . . 106 LYS HD2 . 18092 1 1246 . 1 1 106 106 LYS HD3 H 1 1.621 0.050 . 2 . . . . 106 LYS HD3 . 18092 1 1247 . 1 1 106 106 LYS HE2 H 1 2.906 0.050 . 2 . . . . 106 LYS HE2 . 18092 1 1248 . 1 1 106 106 LYS HE3 H 1 2.906 0.050 . 2 . . . . 106 LYS HE3 . 18092 1 1249 . 1 1 106 106 LYS C C 13 175.257 0.100 . 1 . . . . 106 LYS C . 18092 1 1250 . 1 1 106 106 LYS CA C 13 54.929 0.055 . 1 . . . . 106 LYS CA . 18092 1 1251 . 1 1 106 106 LYS CB C 13 33.851 0.058 . 1 . . . . 106 LYS CB . 18092 1 1252 . 1 1 106 106 LYS N N 15 119.060 0.036 . 1 . . . . 106 LYS N . 18092 1 1253 . 1 1 107 107 GLU H H 1 8.479 0.003 . 1 . . . . 107 GLU HN . 18092 1 1254 . 1 1 107 107 GLU HA H 1 5.126 0.005 . 1 . . . . 107 GLU HA . 18092 1 1255 . 1 1 107 107 GLU HB2 H 1 1.762 0.008 . 1 . . . . 107 GLU HB2 . 18092 1 1256 . 1 1 107 107 GLU HB3 H 1 1.877 0.009 . 1 . . . . 107 GLU HB3 . 18092 1 1257 . 1 1 107 107 GLU HG2 H 1 1.986 0.007 . 2 . . . . 107 GLU HG2 . 18092 1 1258 . 1 1 107 107 GLU HG3 H 1 2.271 0.003 . 2 . . . . 107 GLU HG3 . 18092 1 1259 . 1 1 107 107 GLU C C 13 176.925 0.100 . 1 . . . . 107 GLU C . 18092 1 1260 . 1 1 107 107 GLU CA C 13 55.906 0.072 . 1 . . . . 107 GLU CA . 18092 1 1261 . 1 1 107 107 GLU CB C 13 31.931 0.094 . 1 . . . . 107 GLU CB . 18092 1 1262 . 1 1 107 107 GLU N N 15 121.186 0.021 . 1 . . . . 107 GLU N . 18092 1 1263 . 1 1 108 108 LYS H H 1 9.036 0.003 . 1 . . . . 108 LYS HN . 18092 1 1264 . 1 1 108 108 LYS HA H 1 4.592 0.005 . 1 . . . . 108 LYS HA . 18092 1 1265 . 1 1 108 108 LYS HB2 H 1 1.618 0.015 . 1 . . . . 108 LYS HB2 . 18092 1 1266 . 1 1 108 108 LYS HB3 H 1 1.521 0.002 . 1 . . . . 108 LYS HB3 . 18092 1 1267 . 1 1 108 108 LYS HG2 H 1 1.204 0.002 . 2 . . . . 108 LYS HG2 . 18092 1 1268 . 1 1 108 108 LYS HG3 H 1 1.302 0.003 . 2 . . . . 108 LYS HG3 . 18092 1 1269 . 1 1 108 108 LYS HE2 H 1 2.871 0.018 . 2 . . . . 108 LYS HE2 . 18092 1 1270 . 1 1 108 108 LYS HE3 H 1 2.871 0.018 . 2 . . . . 108 LYS HE3 . 18092 1 1271 . 1 1 108 108 LYS C C 13 174.281 0.100 . 1 . . . . 108 LYS C . 18092 1 1272 . 1 1 108 108 LYS CA C 13 55.416 0.035 . 1 . . . . 108 LYS CA . 18092 1 1273 . 1 1 108 108 LYS CB C 13 36.427 0.055 . 1 . . . . 108 LYS CB . 18092 1 1274 . 1 1 108 108 LYS N N 15 124.475 0.028 . 1 . . . . 108 LYS N . 18092 1 1275 . 1 1 109 109 LYS H H 1 8.688 0.002 . 1 . . . . 109 LYS HN . 18092 1 1276 . 1 1 109 109 LYS HA H 1 4.825 0.009 . 1 . . . . 109 LYS HA . 18092 1 1277 . 1 1 109 109 LYS HB2 H 1 1.773 0.005 . 2 . . . . 109 LYS HB2 . 18092 1 1278 . 1 1 109 109 LYS HB3 H 1 1.819 0.007 . 2 . . . . 109 LYS HB3 . 18092 1 1279 . 1 1 109 109 LYS HG2 H 1 1.442 0.008 . 2 . . . . 109 LYS HG2 . 18092 1 1280 . 1 1 109 109 LYS HG3 H 1 1.442 0.008 . 2 . . . . 109 LYS HG3 . 18092 1 1281 . 1 1 109 109 LYS HD2 H 1 1.641 0.006 . 2 . . . . 109 LYS HD2 . 18092 1 1282 . 1 1 109 109 LYS HD3 H 1 1.641 0.006 . 2 . . . . 109 LYS HD3 . 18092 1 1283 . 1 1 109 109 LYS HE2 H 1 2.921 0.003 . 2 . . . . 109 LYS HE2 . 18092 1 1284 . 1 1 109 109 LYS HE3 H 1 2.921 0.003 . 2 . . . . 109 LYS HE3 . 18092 1 1285 . 1 1 109 109 LYS C C 13 176.453 0.100 . 1 . . . . 109 LYS C . 18092 1 1286 . 1 1 109 109 LYS CA C 13 56.238 0.105 . 1 . . . . 109 LYS CA . 18092 1 1287 . 1 1 109 109 LYS CB C 13 33.363 0.102 . 1 . . . . 109 LYS CB . 18092 1 1288 . 1 1 109 109 LYS N N 15 124.525 0.032 . 1 . . . . 109 LYS N . 18092 1 1289 . 1 1 110 110 VAL H H 1 8.943 0.004 . 1 . . . . 110 VAL HN . 18092 1 1290 . 1 1 110 110 VAL HA H 1 4.258 0.004 . 1 . . . . 110 VAL HA . 18092 1 1291 . 1 1 110 110 VAL HB H 1 1.994 0.006 . 1 . . . . 110 VAL HB . 18092 1 1292 . 1 1 110 110 VAL HG11 H 1 0.786 0.007 . 1 . . . . 110 VAL HG11 . 18092 1 1293 . 1 1 110 110 VAL HG12 H 1 0.786 0.007 . 1 . . . . 110 VAL HG12 . 18092 1 1294 . 1 1 110 110 VAL HG13 H 1 0.786 0.007 . 1 . . . . 110 VAL HG13 . 18092 1 1295 . 1 1 110 110 VAL HG21 H 1 0.904 0.006 . 1 . . . . 110 VAL HG21 . 18092 1 1296 . 1 1 110 110 VAL HG22 H 1 0.904 0.006 . 1 . . . . 110 VAL HG22 . 18092 1 1297 . 1 1 110 110 VAL HG23 H 1 0.904 0.006 . 1 . . . . 110 VAL HG23 . 18092 1 1298 . 1 1 110 110 VAL C C 13 174.997 0.100 . 1 . . . . 110 VAL C . 18092 1 1299 . 1 1 110 110 VAL CA C 13 61.759 0.083 . 1 . . . . 110 VAL CA . 18092 1 1300 . 1 1 110 110 VAL CB C 13 34.764 0.058 . 1 . . . . 110 VAL CB . 18092 1 1301 . 1 1 110 110 VAL CG1 C 13 21.197 0.038 . 1 . . . . 110 VAL CG1 . 18092 1 1302 . 1 1 110 110 VAL CG2 C 13 21.517 0.049 . 1 . . . . 110 VAL CG2 . 18092 1 1303 . 1 1 110 110 VAL N N 15 124.370 0.030 . 1 . . . . 110 VAL N . 18092 1 1304 . 1 1 111 111 ASN H H 1 8.870 0.005 . 1 . . . . 111 ASN HN . 18092 1 1305 . 1 1 111 111 ASN HA H 1 5.456 0.007 . 1 . . . . 111 ASN HA . 18092 1 1306 . 1 1 111 111 ASN HB2 H 1 2.585 0.012 . 2 . . . . 111 ASN HB2 . 18092 1 1307 . 1 1 111 111 ASN HB3 H 1 2.668 0.005 . 2 . . . . 111 ASN HB3 . 18092 1 1308 . 1 1 111 111 ASN HD21 H 1 7.666 0.003 . 2 . . . . 111 ASN HD21 . 18092 1 1309 . 1 1 111 111 ASN HD22 H 1 6.477 0.002 . 2 . . . . 111 ASN HD22 . 18092 1 1310 . 1 1 111 111 ASN C C 13 173.098 0.100 . 1 . . . . 111 ASN C . 18092 1 1311 . 1 1 111 111 ASN CA C 13 53.621 0.061 . 1 . . . . 111 ASN CA . 18092 1 1312 . 1 1 111 111 ASN CB C 13 41.171 0.061 . 1 . . . . 111 ASN CB . 18092 1 1313 . 1 1 111 111 ASN N N 15 125.928 0.125 . 1 . . . . 111 ASN N . 18092 1 1314 . 1 1 111 111 ASN ND2 N 15 111.371 0.050 . 1 . . . . 111 ASN ND2 . 18092 1 1315 . 1 1 112 112 ILE H H 1 9.049 0.002 . 1 . . . . 112 ILE HN . 18092 1 1316 . 1 1 112 112 ILE HA H 1 4.517 0.010 . 1 . . . . 112 ILE HA . 18092 1 1317 . 1 1 112 112 ILE HB H 1 1.992 0.008 . 1 . . . . 112 ILE HB . 18092 1 1318 . 1 1 112 112 ILE HG12 H 1 1.183 0.004 . 2 . . . . 112 ILE HG12 . 18092 1 1319 . 1 1 112 112 ILE HG13 H 1 1.503 0.006 . 2 . . . . 112 ILE HG13 . 18092 1 1320 . 1 1 112 112 ILE HG21 H 1 1.070 0.005 . 1 . . . . 112 ILE HG21 . 18092 1 1321 . 1 1 112 112 ILE HG22 H 1 1.070 0.005 . 1 . . . . 112 ILE HG22 . 18092 1 1322 . 1 1 112 112 ILE HG23 H 1 1.070 0.005 . 1 . . . . 112 ILE HG23 . 18092 1 1323 . 1 1 112 112 ILE HD11 H 1 0.763 0.008 . 1 . . . . 112 ILE HD11 . 18092 1 1324 . 1 1 112 112 ILE HD12 H 1 0.763 0.008 . 1 . . . . 112 ILE HD12 . 18092 1 1325 . 1 1 112 112 ILE HD13 H 1 0.763 0.008 . 1 . . . . 112 ILE HD13 . 18092 1 1326 . 1 1 112 112 ILE C C 13 173.286 0.100 . 1 . . . . 112 ILE C . 18092 1 1327 . 1 1 112 112 ILE CA C 13 60.520 0.032 . 1 . . . . 112 ILE CA . 18092 1 1328 . 1 1 112 112 ILE CB C 13 41.928 0.044 . 1 . . . . 112 ILE CB . 18092 1 1329 . 1 1 112 112 ILE CG1 C 13 27.741 0.080 . 1 . . . . 112 ILE CG1 . 18092 1 1330 . 1 1 112 112 ILE CG2 C 13 17.999 0.056 . 1 . . . . 112 ILE CG2 . 18092 1 1331 . 1 1 112 112 ILE CD1 C 13 14.186 0.112 . 1 . . . . 112 ILE CD1 . 18092 1 1332 . 1 1 112 112 ILE N N 15 125.527 0.052 . 1 . . . . 112 ILE N . 18092 1 1333 . 1 1 113 113 ASP H H 1 8.185 0.003 . 1 . . . . 113 ASP HN . 18092 1 1334 . 1 1 113 113 ASP HA H 1 5.887 0.007 . 1 . . . . 113 ASP HA . 18092 1 1335 . 1 1 113 113 ASP HB2 H 1 2.572 0.007 . 1 . . . . 113 ASP HB2 . 18092 1 1336 . 1 1 113 113 ASP HB3 H 1 2.303 0.005 . 1 . . . . 113 ASP HB3 . 18092 1 1337 . 1 1 113 113 ASP C C 13 174.379 0.100 . 1 . . . . 113 ASP C . 18092 1 1338 . 1 1 113 113 ASP CA C 13 52.595 0.053 . 1 . . . . 113 ASP CA . 18092 1 1339 . 1 1 113 113 ASP CB C 13 44.389 0.102 . 1 . . . . 113 ASP CB . 18092 1 1340 . 1 1 113 113 ASP N N 15 122.103 0.034 . 1 . . . . 113 ASP N . 18092 1 1341 . 1 1 114 114 PHE H H 1 8.759 0.003 . 1 . . . . 114 PHE HN . 18092 1 1342 . 1 1 114 114 PHE HA H 1 4.841 0.007 . 1 . . . . 114 PHE HA . 18092 1 1343 . 1 1 114 114 PHE HB2 H 1 3.374 0.006 . 1 . . . . 114 PHE HB2 . 18092 1 1344 . 1 1 114 114 PHE HB3 H 1 2.906 0.008 . 1 . . . . 114 PHE HB3 . 18092 1 1345 . 1 1 114 114 PHE HD1 H 1 6.804 0.011 . 3 . . . . 114 PHE HD1 . 18092 1 1346 . 1 1 114 114 PHE HD2 H 1 6.804 0.011 . 3 . . . . 114 PHE HD2 . 18092 1 1347 . 1 1 114 114 PHE HE1 H 1 6.967 0.011 . 3 . . . . 114 PHE HE1 . 18092 1 1348 . 1 1 114 114 PHE HE2 H 1 6.967 0.011 . 3 . . . . 114 PHE HE2 . 18092 1 1349 . 1 1 114 114 PHE HZ H 1 6.983 0.012 . 1 . . . . 114 PHE HZ . 18092 1 1350 . 1 1 114 114 PHE C C 13 171.887 0.100 . 1 . . . . 114 PHE C . 18092 1 1351 . 1 1 114 114 PHE CA C 13 56.946 0.046 . 1 . . . . 114 PHE CA . 18092 1 1352 . 1 1 114 114 PHE CB C 13 40.250 0.027 . 1 . . . . 114 PHE CB . 18092 1 1353 . 1 1 114 114 PHE N N 15 115.681 0.047 . 1 . . . . 114 PHE N . 18092 1 1354 . 1 1 115 115 GLU H H 1 8.682 0.003 . 1 . . . . 115 GLU HN . 18092 1 1355 . 1 1 115 115 GLU HA H 1 4.979 0.009 . 1 . . . . 115 GLU HA . 18092 1 1356 . 1 1 115 115 GLU HB2 H 1 1.784 0.011 . 2 . . . . 115 GLU HB2 . 18092 1 1357 . 1 1 115 115 GLU HB3 H 1 1.784 0.011 . 2 . . . . 115 GLU HB3 . 18092 1 1358 . 1 1 115 115 GLU HG2 H 1 2.137 0.011 . 2 . . . . 115 GLU HG2 . 18092 1 1359 . 1 1 115 115 GLU HG3 H 1 2.137 0.011 . 2 . . . . 115 GLU HG3 . 18092 1 1360 . 1 1 115 115 GLU CA C 13 52.001 0.051 . 1 . . . . 115 GLU CA . 18092 1 1361 . 1 1 115 115 GLU CB C 13 31.880 0.009 . 1 . . . . 115 GLU CB . 18092 1 1362 . 1 1 115 115 GLU N N 15 123.969 0.035 . 1 . . . . 115 GLU N . 18092 1 1363 . 1 1 116 116 PRO HA H 1 4.682 0.009 . 1 . . . . 116 PRO HA . 18092 1 1364 . 1 1 116 116 PRO HB2 H 1 1.932 0.006 . 1 . . . . 116 PRO HB2 . 18092 1 1365 . 1 1 116 116 PRO HB3 H 1 2.377 0.008 . 1 . . . . 116 PRO HB3 . 18092 1 1366 . 1 1 116 116 PRO HG2 H 1 2.086 0.010 . 2 . . . . 116 PRO HG2 . 18092 1 1367 . 1 1 116 116 PRO HD2 H 1 3.342 0.010 . 2 . . . . 116 PRO HD2 . 18092 1 1368 . 1 1 116 116 PRO HD3 H 1 3.342 0.010 . 2 . . . . 116 PRO HD3 . 18092 1 1369 . 1 1 116 116 PRO C C 13 176.168 0.100 . 1 . . . . 116 PRO C . 18092 1 1370 . 1 1 116 116 PRO CA C 13 62.864 0.058 . 1 . . . . 116 PRO CA . 18092 1 1371 . 1 1 116 116 PRO CB C 13 32.950 0.086 . 1 . . . . 116 PRO CB . 18092 1 1372 . 1 1 116 116 PRO CD C 13 50.343 0.018 . 1 . . . . 116 PRO CD . 18092 1 1373 . 1 1 117 117 PHE H H 1 7.708 0.006 . 1 . . . . 117 PHE HN . 18092 1 1374 . 1 1 117 117 PHE HA H 1 4.347 0.007 . 1 . . . . 117 PHE HA . 18092 1 1375 . 1 1 117 117 PHE HB2 H 1 3.029 0.010 . 1 . . . . 117 PHE HB2 . 18092 1 1376 . 1 1 117 117 PHE HB3 H 1 3.308 0.005 . 1 . . . . 117 PHE HB3 . 18092 1 1377 . 1 1 117 117 PHE HD1 H 1 7.206 0.009 . 3 . . . . 117 PHE HD1 . 18092 1 1378 . 1 1 117 117 PHE HD2 H 1 7.206 0.009 . 3 . . . . 117 PHE HD2 . 18092 1 1379 . 1 1 117 117 PHE HE1 H 1 7.196 0.001 . 3 . . . . 117 PHE HE1 . 18092 1 1380 . 1 1 117 117 PHE HE2 H 1 7.196 0.001 . 3 . . . . 117 PHE HE2 . 18092 1 1381 . 1 1 117 117 PHE C C 13 173.840 0.100 . 1 . . . . 117 PHE C . 18092 1 1382 . 1 1 117 117 PHE CA C 13 58.929 0.086 . 1 . . . . 117 PHE CA . 18092 1 1383 . 1 1 117 117 PHE CB C 13 39.085 0.048 . 1 . . . . 117 PHE CB . 18092 1 1384 . 1 1 117 117 PHE N N 15 115.810 0.043 . 1 . . . . 117 PHE N . 18092 1 1385 . 1 1 118 118 LYS H H 1 7.026 0.004 . 1 . . . . 118 LYS HN . 18092 1 1386 . 1 1 118 118 LYS HA H 1 4.367 0.004 . 1 . . . . 118 LYS HA . 18092 1 1387 . 1 1 118 118 LYS HB2 H 1 1.544 0.007 . 1 . . . . 118 LYS HB2 . 18092 1 1388 . 1 1 118 118 LYS HB3 H 1 1.244 0.002 . 1 . . . . 118 LYS HB3 . 18092 1 1389 . 1 1 118 118 LYS HE2 H 1 2.867 0.008 . 2 . . . . 118 LYS HE2 . 18092 1 1390 . 1 1 118 118 LYS HE3 H 1 2.867 0.008 . 2 . . . . 118 LYS HE3 . 18092 1 1391 . 1 1 118 118 LYS CA C 13 53.006 0.029 . 1 . . . . 118 LYS CA . 18092 1 1392 . 1 1 118 118 LYS CB C 13 34.393 0.031 . 1 . . . . 118 LYS CB . 18092 1 1393 . 1 1 118 118 LYS N N 15 118.362 0.046 . 1 . . . . 118 LYS N . 18092 1 1394 . 1 1 119 119 PRO HA H 1 4.552 0.005 . 1 . . . . 119 PRO HA . 18092 1 1395 . 1 1 119 119 PRO HB2 H 1 1.694 0.006 . 2 . . . . 119 PRO HB2 . 18092 1 1396 . 1 1 119 119 PRO HB3 H 1 2.027 0.014 . 2 . . . . 119 PRO HB3 . 18092 1 1397 . 1 1 119 119 PRO HD2 H 1 3.425 0.005 . 2 . . . . 119 PRO HD2 . 18092 1 1398 . 1 1 119 119 PRO HD3 H 1 3.425 0.005 . 2 . . . . 119 PRO HD3 . 18092 1 1399 . 1 1 119 119 PRO C C 13 176.602 0.100 . 1 . . . . 119 PRO C . 18092 1 1400 . 1 1 119 119 PRO CA C 13 63.272 0.046 . 1 . . . . 119 PRO CA . 18092 1 1401 . 1 1 119 119 PRO CB C 13 32.409 0.030 . 1 . . . . 119 PRO CB . 18092 1 1402 . 1 1 119 119 PRO CD C 13 50.150 0.044 . 1 . . . . 119 PRO CD . 18092 1 1403 . 1 1 120 120 ILE H H 1 7.662 0.004 . 1 . . . . 120 ILE HN . 18092 1 1404 . 1 1 120 120 ILE HA H 1 4.183 0.005 . 1 . . . . 120 ILE HA . 18092 1 1405 . 1 1 120 120 ILE HB H 1 1.587 0.005 . 1 . . . . 120 ILE HB . 18092 1 1406 . 1 1 120 120 ILE HG12 H 1 1.530 0.013 . 2 . . . . 120 ILE HG12 . 18092 1 1407 . 1 1 120 120 ILE HG13 H 1 1.061 0.006 . 2 . . . . 120 ILE HG13 . 18092 1 1408 . 1 1 120 120 ILE HG21 H 1 0.924 0.003 . 1 . . . . 120 ILE HG21 . 18092 1 1409 . 1 1 120 120 ILE HG22 H 1 0.924 0.003 . 1 . . . . 120 ILE HG22 . 18092 1 1410 . 1 1 120 120 ILE HG23 H 1 0.924 0.003 . 1 . . . . 120 ILE HG23 . 18092 1 1411 . 1 1 120 120 ILE HD11 H 1 0.702 0.005 . 1 . . . . 120 ILE HD11 . 18092 1 1412 . 1 1 120 120 ILE HD12 H 1 0.702 0.005 . 1 . . . . 120 ILE HD12 . 18092 1 1413 . 1 1 120 120 ILE HD13 H 1 0.702 0.005 . 1 . . . . 120 ILE HD13 . 18092 1 1414 . 1 1 120 120 ILE C C 13 174.542 0.100 . 1 . . . . 120 ILE C . 18092 1 1415 . 1 1 120 120 ILE CA C 13 60.195 0.058 . 1 . . . . 120 ILE CA . 18092 1 1416 . 1 1 120 120 ILE CB C 13 40.349 0.103 . 1 . . . . 120 ILE CB . 18092 1 1417 . 1 1 120 120 ILE CG2 C 13 18.102 0.076 . 1 . . . . 120 ILE CG2 . 18092 1 1418 . 1 1 120 120 ILE CD1 C 13 14.588 0.065 . 1 . . . . 120 ILE CD1 . 18092 1 1419 . 1 1 120 120 ILE N N 15 121.795 0.039 . 1 . . . . 120 ILE N . 18092 1 1420 . 1 1 121 121 ASN H H 1 8.252 0.003 . 1 . . . . 121 ASN HN . 18092 1 1421 . 1 1 121 121 ASN HA H 1 4.821 0.008 . 1 . . . . 121 ASN HA . 18092 1 1422 . 1 1 121 121 ASN HB2 H 1 2.788 0.006 . 1 . . . . 121 ASN HB2 . 18092 1 1423 . 1 1 121 121 ASN HB3 H 1 2.529 0.004 . 1 . . . . 121 ASN HB3 . 18092 1 1424 . 1 1 121 121 ASN HD21 H 1 7.447 0.003 . 2 . . . . 121 ASN HD21 . 18092 1 1425 . 1 1 121 121 ASN HD22 H 1 6.673 0.002 . 2 . . . . 121 ASN HD22 . 18092 1 1426 . 1 1 121 121 ASN C C 13 174.708 0.100 . 1 . . . . 121 ASN C . 18092 1 1427 . 1 1 121 121 ASN CA C 13 53.351 0.094 . 1 . . . . 121 ASN CA . 18092 1 1428 . 1 1 121 121 ASN CB C 13 39.470 0.113 . 1 . . . . 121 ASN CB . 18092 1 1429 . 1 1 121 121 ASN N N 15 121.422 0.040 . 1 . . . . 121 ASN N . 18092 1 1430 . 1 1 121 121 ASN ND2 N 15 112.339 0.047 . 1 . . . . 121 ASN ND2 . 18092 1 1431 . 1 1 122 122 THR H H 1 7.065 0.003 . 1 . . . . 122 THR HN . 18092 1 1432 . 1 1 122 122 THR HA H 1 4.311 0.008 . 1 . . . . 122 THR HA . 18092 1 1433 . 1 1 122 122 THR HB H 1 3.797 0.009 . 1 . . . . 122 THR HB . 18092 1 1434 . 1 1 122 122 THR HG21 H 1 1.007 0.007 . 1 . . . . 122 THR HG21 . 18092 1 1435 . 1 1 122 122 THR HG22 H 1 1.007 0.007 . 1 . . . . 122 THR HG22 . 18092 1 1436 . 1 1 122 122 THR HG23 H 1 1.007 0.007 . 1 . . . . 122 THR HG23 . 18092 1 1437 . 1 1 122 122 THR C C 13 170.769 0.100 . 1 . . . . 122 THR C . 18092 1 1438 . 1 1 122 122 THR CA C 13 61.132 0.054 . 1 . . . . 122 THR CA . 18092 1 1439 . 1 1 122 122 THR CB C 13 70.835 0.092 . 1 . . . . 122 THR CB . 18092 1 1440 . 1 1 122 122 THR CG2 C 13 21.143 0.066 . 1 . . . . 122 THR CG2 . 18092 1 1441 . 1 1 122 122 THR N N 15 114.573 0.048 . 1 . . . . 122 THR N . 18092 1 1442 . 1 1 123 123 SER H H 1 7.883 0.004 . 1 . . . . 123 SER HN . 18092 1 1443 . 1 1 123 123 SER HA H 1 4.642 0.013 . 1 . . . . 123 SER HA . 18092 1 1444 . 1 1 123 123 SER HB2 H 1 3.665 0.004 . 2 . . . . 123 SER HB2 . 18092 1 1445 . 1 1 123 123 SER HB3 H 1 3.665 0.004 . 2 . . . . 123 SER HB3 . 18092 1 1446 . 1 1 123 123 SER C C 13 173.659 0.100 . 1 . . . . 123 SER C . 18092 1 1447 . 1 1 123 123 SER CA C 13 56.718 0.091 . 1 . . . . 123 SER CA . 18092 1 1448 . 1 1 123 123 SER CB C 13 64.777 0.060 . 1 . . . . 123 SER CB . 18092 1 1449 . 1 1 123 123 SER N N 15 115.764 0.043 . 1 . . . . 123 SER N . 18092 1 1450 . 1 1 124 124 LEU H H 1 8.506 0.004 . 1 . . . . 124 LEU HN . 18092 1 1451 . 1 1 124 124 LEU HA H 1 4.575 0.007 . 1 . . . . 124 LEU HA . 18092 1 1452 . 1 1 124 124 LEU HB2 H 1 1.460 0.011 . 1 . . . . 124 LEU HB2 . 18092 1 1453 . 1 1 124 124 LEU HB3 H 1 1.351 0.009 . 1 . . . . 124 LEU HB3 . 18092 1 1454 . 1 1 124 124 LEU HG H 1 1.746 0.005 . 1 . . . . 124 LEU HG . 18092 1 1455 . 1 1 124 124 LEU HD11 H 1 0.703 0.010 . 2 . . . . 124 LEU HD11 . 18092 1 1456 . 1 1 124 124 LEU HD12 H 1 0.703 0.010 . 2 . . . . 124 LEU HD12 . 18092 1 1457 . 1 1 124 124 LEU HD13 H 1 0.703 0.010 . 2 . . . . 124 LEU HD13 . 18092 1 1458 . 1 1 124 124 LEU HD21 H 1 0.791 0.005 . 2 . . . . 124 LEU HD21 . 18092 1 1459 . 1 1 124 124 LEU HD22 H 1 0.791 0.005 . 2 . . . . 124 LEU HD22 . 18092 1 1460 . 1 1 124 124 LEU HD23 H 1 0.791 0.005 . 2 . . . . 124 LEU HD23 . 18092 1 1461 . 1 1 124 124 LEU C C 13 174.622 0.100 . 1 . . . . 124 LEU C . 18092 1 1462 . 1 1 124 124 LEU CA C 13 55.342 0.055 . 1 . . . . 124 LEU CA . 18092 1 1463 . 1 1 124 124 LEU CB C 13 47.204 0.048 . 1 . . . . 124 LEU CB . 18092 1 1464 . 1 1 124 124 LEU CD1 C 13 26.257 0.047 . 2 . . . . 124 LEU CD1 . 18092 1 1465 . 1 1 124 124 LEU CD2 C 13 23.737 0.096 . 2 . . . . 124 LEU CD2 . 18092 1 1466 . 1 1 124 124 LEU N N 15 126.453 0.035 . 1 . . . . 124 LEU N . 18092 1 1467 . 1 1 125 125 TYR H H 1 8.291 0.002 . 1 . . . . 125 TYR HN . 18092 1 1468 . 1 1 125 125 TYR HA H 1 5.157 0.005 . 1 . . . . 125 TYR HA . 18092 1 1469 . 1 1 125 125 TYR HB2 H 1 2.674 0.005 . 1 . . . . 125 TYR HB2 . 18092 1 1470 . 1 1 125 125 TYR HB3 H 1 2.998 0.008 . 1 . . . . 125 TYR HB3 . 18092 1 1471 . 1 1 125 125 TYR HD1 H 1 6.876 0.011 . 3 . . . . 125 TYR HD1 . 18092 1 1472 . 1 1 125 125 TYR HD2 H 1 6.876 0.011 . 3 . . . . 125 TYR HD2 . 18092 1 1473 . 1 1 125 125 TYR HE1 H 1 6.547 0.007 . 3 . . . . 125 TYR HE1 . 18092 1 1474 . 1 1 125 125 TYR HE2 H 1 6.547 0.007 . 3 . . . . 125 TYR HE2 . 18092 1 1475 . 1 1 125 125 TYR C C 13 173.506 0.100 . 1 . . . . 125 TYR C . 18092 1 1476 . 1 1 125 125 TYR CA C 13 58.678 0.063 . 1 . . . . 125 TYR CA . 18092 1 1477 . 1 1 125 125 TYR CB C 13 40.583 0.114 . 1 . . . . 125 TYR CB . 18092 1 1478 . 1 1 125 125 TYR N N 15 125.550 0.033 . 1 . . . . 125 TYR N . 18092 1 1479 . 1 1 126 126 LEU H H 1 8.240 0.005 . 1 . . . . 126 LEU HN . 18092 1 1480 . 1 1 126 126 LEU HA H 1 4.195 0.011 . 1 . . . . 126 LEU HA . 18092 1 1481 . 1 1 126 126 LEU HB2 H 1 1.313 0.014 . 1 . . . . 126 LEU HB2 . 18092 1 1482 . 1 1 126 126 LEU HB3 H 1 1.246 0.015 . 1 . . . . 126 LEU HB3 . 18092 1 1483 . 1 1 126 126 LEU HG H 1 1.291 0.004 . 1 . . . . 126 LEU HG . 18092 1 1484 . 1 1 126 126 LEU HD11 H 1 0.420 0.010 . 1 . . . . 126 LEU HD11 . 18092 1 1485 . 1 1 126 126 LEU HD12 H 1 0.420 0.010 . 1 . . . . 126 LEU HD12 . 18092 1 1486 . 1 1 126 126 LEU HD13 H 1 0.420 0.010 . 1 . . . . 126 LEU HD13 . 18092 1 1487 . 1 1 126 126 LEU HD21 H 1 0.724 0.006 . 1 . . . . 126 LEU HD21 . 18092 1 1488 . 1 1 126 126 LEU HD22 H 1 0.724 0.006 . 1 . . . . 126 LEU HD22 . 18092 1 1489 . 1 1 126 126 LEU HD23 H 1 0.724 0.006 . 1 . . . . 126 LEU HD23 . 18092 1 1490 . 1 1 126 126 LEU C C 13 173.695 0.100 . 1 . . . . 126 LEU C . 18092 1 1491 . 1 1 126 126 LEU CA C 13 54.264 0.057 . 1 . . . . 126 LEU CA . 18092 1 1492 . 1 1 126 126 LEU CB C 13 47.535 0.074 . 1 . . . . 126 LEU CB . 18092 1 1493 . 1 1 126 126 LEU CD1 C 13 24.442 0.019 . 1 . . . . 126 LEU CD1 . 18092 1 1494 . 1 1 126 126 LEU CD2 C 13 24.180 0.064 . 1 . . . . 126 LEU CD2 . 18092 1 1495 . 1 1 126 126 LEU N N 15 128.108 0.051 . 1 . . . . 126 LEU N . 18092 1 1496 . 1 1 127 127 CYS H H 1 8.402 0.003 . 1 . . . . 127 CYS HN . 18092 1 1497 . 1 1 127 127 CYS HA H 1 5.047 0.006 . 1 . . . . 127 CYS HA . 18092 1 1498 . 1 1 127 127 CYS HB2 H 1 2.477 0.007 . 1 . . . . 127 CYS HB2 . 18092 1 1499 . 1 1 127 127 CYS HB3 H 1 2.784 0.008 . 1 . . . . 127 CYS HB3 . 18092 1 1500 . 1 1 127 127 CYS C C 13 173.508 0.100 . 1 . . . . 127 CYS C . 18092 1 1501 . 1 1 127 127 CYS CA C 13 57.448 0.079 . 1 . . . . 127 CYS CA . 18092 1 1502 . 1 1 127 127 CYS CB C 13 27.026 0.148 . 1 . . . . 127 CYS CB . 18092 1 1503 . 1 1 127 127 CYS N N 15 124.036 0.028 . 1 . . . . 127 CYS N . 18092 1 1504 . 1 1 128 128 ASP H H 1 9.313 0.005 . 1 . . . . 128 ASP HN . 18092 1 1505 . 1 1 128 128 ASP HA H 1 5.058 0.007 . 1 . . . . 128 ASP HA . 18092 1 1506 . 1 1 128 128 ASP HB2 H 1 2.638 0.011 . 1 . . . . 128 ASP HB2 . 18092 1 1507 . 1 1 128 128 ASP HB3 H 1 3.252 0.020 . 1 . . . . 128 ASP HB3 . 18092 1 1508 . 1 1 128 128 ASP C C 13 174.016 0.100 . 1 . . . . 128 ASP C . 18092 1 1509 . 1 1 128 128 ASP CA C 13 52.923 0.075 . 1 . . . . 128 ASP CA . 18092 1 1510 . 1 1 128 128 ASP CB C 13 45.376 0.073 . 1 . . . . 128 ASP CB . 18092 1 1511 . 1 1 128 128 ASP N N 15 127.604 0.038 . 1 . . . . 128 ASP N . 18092 1 1512 . 1 1 129 129 ASN H H 1 9.437 0.005 . 1 . . . . 129 ASN HN . 18092 1 1513 . 1 1 129 129 ASN HA H 1 4.806 0.008 . 1 . . . . 129 ASN HA . 18092 1 1514 . 1 1 129 129 ASN HB2 H 1 3.029 0.008 . 1 . . . . 129 ASN HB2 . 18092 1 1515 . 1 1 129 129 ASN HB3 H 1 2.526 0.006 . 1 . . . . 129 ASN HB3 . 18092 1 1516 . 1 1 129 129 ASN HD21 H 1 7.474 0.002 . 2 . . . . 129 ASN HD21 . 18092 1 1517 . 1 1 129 129 ASN HD22 H 1 6.629 0.003 . 2 . . . . 129 ASN HD22 . 18092 1 1518 . 1 1 129 129 ASN C C 13 173.229 0.100 . 1 . . . . 129 ASN C . 18092 1 1519 . 1 1 129 129 ASN CA C 13 53.169 0.081 . 1 . . . . 129 ASN CA . 18092 1 1520 . 1 1 129 129 ASN CB C 13 38.674 0.048 . 1 . . . . 129 ASN CB . 18092 1 1521 . 1 1 129 129 ASN N N 15 119.152 0.040 . 1 . . . . 129 ASN N . 18092 1 1522 . 1 1 129 129 ASN ND2 N 15 109.868 0.032 . 1 . . . . 129 ASN ND2 . 18092 1 1523 . 1 1 130 130 LYS H H 1 7.197 0.003 . 1 . . . . 130 LYS HN . 18092 1 1524 . 1 1 130 130 LYS HA H 1 4.270 0.005 . 1 . . . . 130 LYS HA . 18092 1 1525 . 1 1 130 130 LYS HB2 H 1 1.628 0.003 . 1 . . . . 130 LYS HB2 . 18092 1 1526 . 1 1 130 130 LYS HB3 H 1 1.757 0.021 . 1 . . . . 130 LYS HB3 . 18092 1 1527 . 1 1 130 130 LYS C C 13 175.211 0.100 . 1 . . . . 130 LYS C . 18092 1 1528 . 1 1 130 130 LYS CA C 13 54.533 0.067 . 1 . . . . 130 LYS CA . 18092 1 1529 . 1 1 130 130 LYS CB C 13 34.492 0.018 . 1 . . . . 130 LYS CB . 18092 1 1530 . 1 1 130 130 LYS N N 15 113.353 0.031 . 1 . . . . 130 LYS N . 18092 1 1531 . 1 1 131 131 PHE H H 1 9.513 0.006 . 1 . . . . 131 PHE HN . 18092 1 1532 . 1 1 131 131 PHE HA H 1 4.686 0.013 . 1 . . . . 131 PHE HA . 18092 1 1533 . 1 1 131 131 PHE HB2 H 1 2.673 0.006 . 1 . . . . 131 PHE HB2 . 18092 1 1534 . 1 1 131 131 PHE HB3 H 1 2.394 0.009 . 1 . . . . 131 PHE HB3 . 18092 1 1535 . 1 1 131 131 PHE HD1 H 1 7.333 0.008 . 3 . . . . 131 PHE HD1 . 18092 1 1536 . 1 1 131 131 PHE HD2 H 1 7.333 0.008 . 3 . . . . 131 PHE HD2 . 18092 1 1537 . 1 1 131 131 PHE HE1 H 1 7.094 0.007 . 3 . . . . 131 PHE HE1 . 18092 1 1538 . 1 1 131 131 PHE HE2 H 1 7.094 0.007 . 3 . . . . 131 PHE HE2 . 18092 1 1539 . 1 1 131 131 PHE HZ H 1 6.690 0.005 . 1 . . . . 131 PHE HZ . 18092 1 1540 . 1 1 131 131 PHE C C 13 174.919 0.100 . 1 . . . . 131 PHE C . 18092 1 1541 . 1 1 131 131 PHE CA C 13 57.121 0.088 . 1 . . . . 131 PHE CA . 18092 1 1542 . 1 1 131 131 PHE CB C 13 39.815 0.048 . 1 . . . . 131 PHE CB . 18092 1 1543 . 1 1 131 131 PHE N N 15 120.593 0.041 . 1 . . . . 131 PHE N . 18092 1 1544 . 1 1 132 132 HIS H H 1 8.991 0.006 . 1 . . . . 132 HIS HN . 18092 1 1545 . 1 1 132 132 HIS HA H 1 4.766 0.005 . 1 . . . . 132 HIS HA . 18092 1 1546 . 1 1 132 132 HIS HB2 H 1 3.555 0.040 . 1 . . . . 132 HIS HB2 . 18092 1 1547 . 1 1 132 132 HIS HB3 H 1 2.880 0.005 . 1 . . . . 132 HIS HB3 . 18092 1 1548 . 1 1 132 132 HIS HD2 H 1 7.164 0.016 . 1 . . . . 132 HIS HD2 . 18092 1 1549 . 1 1 132 132 HIS C C 13 176.356 0.100 . 1 . . . . 132 HIS C . 18092 1 1550 . 1 1 132 132 HIS CA C 13 56.999 0.100 . 1 . . . . 132 HIS CA . 18092 1 1551 . 1 1 132 132 HIS CB C 13 30.517 0.043 . 1 . . . . 132 HIS CB . 18092 1 1552 . 1 1 132 132 HIS N N 15 121.459 0.033 . 1 . . . . 132 HIS N . 18092 1 1553 . 1 1 133 133 THR H H 1 8.742 0.004 . 1 . . . . 133 THR HN . 18092 1 1554 . 1 1 133 133 THR HA H 1 4.380 0.008 . 1 . . . . 133 THR HA . 18092 1 1555 . 1 1 133 133 THR HB H 1 4.477 0.011 . 1 . . . . 133 THR HB . 18092 1 1556 . 1 1 133 133 THR HG21 H 1 0.818 0.016 . 1 . . . . 133 THR HG21 . 18092 1 1557 . 1 1 133 133 THR HG22 H 1 0.818 0.016 . 1 . . . . 133 THR HG22 . 18092 1 1558 . 1 1 133 133 THR HG23 H 1 0.818 0.016 . 1 . . . . 133 THR HG23 . 18092 1 1559 . 1 1 133 133 THR C C 13 175.621 0.100 . 1 . . . . 133 THR C . 18092 1 1560 . 1 1 133 133 THR CA C 13 62.055 0.073 . 1 . . . . 133 THR CA . 18092 1 1561 . 1 1 133 133 THR CB C 13 69.418 0.066 . 1 . . . . 133 THR CB . 18092 1 1562 . 1 1 133 133 THR N N 15 116.721 0.062 . 1 . . . . 133 THR N . 18092 1 1563 . 1 1 134 134 GLU H H 1 9.788 0.009 . 1 . . . . 134 GLU HN . 18092 1 1564 . 1 1 134 134 GLU HA H 1 4.049 0.007 . 1 . . . . 134 GLU HA . 18092 1 1565 . 1 1 134 134 GLU HB2 H 1 2.060 0.007 . 2 . . . . 134 GLU HB2 . 18092 1 1566 . 1 1 134 134 GLU HB3 H 1 2.060 0.007 . 2 . . . . 134 GLU HB3 . 18092 1 1567 . 1 1 134 134 GLU HG2 H 1 2.420 0.010 . 2 . . . . 134 GLU HG2 . 18092 1 1568 . 1 1 134 134 GLU HG3 H 1 2.420 0.010 . 2 . . . . 134 GLU HG3 . 18092 1 1569 . 1 1 134 134 GLU C C 13 178.915 0.100 . 1 . . . . 134 GLU C . 18092 1 1570 . 1 1 134 134 GLU CA C 13 61.078 0.031 . 1 . . . . 134 GLU CA . 18092 1 1571 . 1 1 134 134 GLU CB C 13 28.588 0.100 . 1 . . . . 134 GLU CB . 18092 1 1572 . 1 1 134 134 GLU N N 15 127.904 0.041 . 1 . . . . 134 GLU N . 18092 1 1573 . 1 1 135 135 ALA H H 1 9.046 0.005 . 1 . . . . 135 ALA HN . 18092 1 1574 . 1 1 135 135 ALA HA H 1 4.179 0.010 . 1 . . . . 135 ALA HA . 18092 1 1575 . 1 1 135 135 ALA HB1 H 1 1.350 0.006 . 1 . . . . 135 ALA HB1 . 18092 1 1576 . 1 1 135 135 ALA HB2 H 1 1.350 0.006 . 1 . . . . 135 ALA HB2 . 18092 1 1577 . 1 1 135 135 ALA HB3 H 1 1.350 0.006 . 1 . . . . 135 ALA HB3 . 18092 1 1578 . 1 1 135 135 ALA C C 13 180.064 0.100 . 1 . . . . 135 ALA C . 18092 1 1579 . 1 1 135 135 ALA CA C 13 54.811 0.073 . 1 . . . . 135 ALA CA . 18092 1 1580 . 1 1 135 135 ALA CB C 13 19.016 0.045 . 1 . . . . 135 ALA CB . 18092 1 1581 . 1 1 135 135 ALA N N 15 121.101 0.050 . 1 . . . . 135 ALA N . 18092 1 1582 . 1 1 136 136 LEU H H 1 7.659 0.004 . 1 . . . . 136 LEU HN . 18092 1 1583 . 1 1 136 136 LEU HA H 1 4.198 0.011 . 1 . . . . 136 LEU HA . 18092 1 1584 . 1 1 136 136 LEU HB2 H 1 1.482 0.010 . 1 . . . . 136 LEU HB2 . 18092 1 1585 . 1 1 136 136 LEU HB3 H 1 2.052 0.003 . 1 . . . . 136 LEU HB3 . 18092 1 1586 . 1 1 136 136 LEU HG H 1 1.838 0.006 . 1 . . . . 136 LEU HG . 18092 1 1587 . 1 1 136 136 LEU HD11 H 1 1.068 0.007 . 2 . . . . 136 LEU HD11 . 18092 1 1588 . 1 1 136 136 LEU HD12 H 1 1.068 0.007 . 2 . . . . 136 LEU HD12 . 18092 1 1589 . 1 1 136 136 LEU HD13 H 1 1.068 0.007 . 2 . . . . 136 LEU HD13 . 18092 1 1590 . 1 1 136 136 LEU HD21 H 1 0.955 0.006 . 2 . . . . 136 LEU HD21 . 18092 1 1591 . 1 1 136 136 LEU HD22 H 1 0.955 0.006 . 2 . . . . 136 LEU HD22 . 18092 1 1592 . 1 1 136 136 LEU HD23 H 1 0.955 0.006 . 2 . . . . 136 LEU HD23 . 18092 1 1593 . 1 1 136 136 LEU C C 13 178.410 0.100 . 1 . . . . 136 LEU C . 18092 1 1594 . 1 1 136 136 LEU CA C 13 56.756 0.023 . 1 . . . . 136 LEU CA . 18092 1 1595 . 1 1 136 136 LEU CB C 13 41.969 0.045 . 1 . . . . 136 LEU CB . 18092 1 1596 . 1 1 136 136 LEU CD1 C 13 26.648 0.061 . 2 . . . . 136 LEU CD1 . 18092 1 1597 . 1 1 136 136 LEU CD2 C 13 23.004 0.051 . 2 . . . . 136 LEU CD2 . 18092 1 1598 . 1 1 136 136 LEU N N 15 115.943 0.031 . 1 . . . . 136 LEU N . 18092 1 1599 . 1 1 137 137 THR H H 1 7.999 0.004 . 1 . . . . 137 THR HN . 18092 1 1600 . 1 1 137 137 THR HA H 1 3.742 0.008 . 1 . . . . 137 THR HA . 18092 1 1601 . 1 1 137 137 THR HB H 1 4.183 0.007 . 1 . . . . 137 THR HB . 18092 1 1602 . 1 1 137 137 THR HG21 H 1 1.196 0.004 . 1 . . . . 137 THR HG21 . 18092 1 1603 . 1 1 137 137 THR HG22 H 1 1.196 0.004 . 1 . . . . 137 THR HG22 . 18092 1 1604 . 1 1 137 137 THR HG23 H 1 1.196 0.004 . 1 . . . . 137 THR HG23 . 18092 1 1605 . 1 1 137 137 THR C C 13 177.170 0.100 . 1 . . . . 137 THR C . 18092 1 1606 . 1 1 137 137 THR CA C 13 67.023 0.110 . 1 . . . . 137 THR CA . 18092 1 1607 . 1 1 137 137 THR CB C 13 68.608 0.179 . 1 . . . . 137 THR CB . 18092 1 1608 . 1 1 137 137 THR CG2 C 13 22.335 0.111 . 1 . . . . 137 THR CG2 . 18092 1 1609 . 1 1 137 137 THR N N 15 116.620 0.074 . 1 . . . . 137 THR N . 18092 1 1610 . 1 1 138 138 ALA H H 1 7.949 0.002 . 1 . . . . 138 ALA HN . 18092 1 1611 . 1 1 138 138 ALA HA H 1 4.146 0.009 . 1 . . . . 138 ALA HA . 18092 1 1612 . 1 1 138 138 ALA HB1 H 1 1.435 0.005 . 1 . . . . 138 ALA HB1 . 18092 1 1613 . 1 1 138 138 ALA HB2 H 1 1.435 0.005 . 1 . . . . 138 ALA HB2 . 18092 1 1614 . 1 1 138 138 ALA HB3 H 1 1.435 0.005 . 1 . . . . 138 ALA HB3 . 18092 1 1615 . 1 1 138 138 ALA C C 13 179.680 0.100 . 1 . . . . 138 ALA C . 18092 1 1616 . 1 1 138 138 ALA CA C 13 55.196 0.078 . 1 . . . . 138 ALA CA . 18092 1 1617 . 1 1 138 138 ALA CB C 13 18.335 0.044 . 1 . . . . 138 ALA CB . 18092 1 1618 . 1 1 138 138 ALA N N 15 123.900 0.040 . 1 . . . . 138 ALA N . 18092 1 1619 . 1 1 139 139 LEU H H 1 7.483 0.002 . 1 . . . . 139 LEU HN . 18092 1 1620 . 1 1 139 139 LEU HA H 1 4.140 0.010 . 1 . . . . 139 LEU HA . 18092 1 1621 . 1 1 139 139 LEU HB2 H 1 1.817 0.004 . 2 . . . . 139 LEU HB2 . 18092 1 1622 . 1 1 139 139 LEU HB3 H 1 1.905 0.009 . 2 . . . . 139 LEU HB3 . 18092 1 1623 . 1 1 139 139 LEU HG H 1 1.747 0.012 . 1 . . . . 139 LEU HG . 18092 1 1624 . 1 1 139 139 LEU HD11 H 1 0.847 0.008 . 2 . . . . 139 LEU HD11 . 18092 1 1625 . 1 1 139 139 LEU HD12 H 1 0.847 0.008 . 2 . . . . 139 LEU HD12 . 18092 1 1626 . 1 1 139 139 LEU HD13 H 1 0.847 0.008 . 2 . . . . 139 LEU HD13 . 18092 1 1627 . 1 1 139 139 LEU HD21 H 1 0.721 0.006 . 2 . . . . 139 LEU HD21 . 18092 1 1628 . 1 1 139 139 LEU HD22 H 1 0.721 0.006 . 2 . . . . 139 LEU HD22 . 18092 1 1629 . 1 1 139 139 LEU HD23 H 1 0.721 0.006 . 2 . . . . 139 LEU HD23 . 18092 1 1630 . 1 1 139 139 LEU C C 13 178.274 0.100 . 1 . . . . 139 LEU C . 18092 1 1631 . 1 1 139 139 LEU CA C 13 57.648 0.107 . 1 . . . . 139 LEU CA . 18092 1 1632 . 1 1 139 139 LEU CB C 13 42.361 0.074 . 1 . . . . 139 LEU CB . 18092 1 1633 . 1 1 139 139 LEU CD2 C 13 24.606 0.122 . 2 . . . . 139 LEU CD2 . 18092 1 1634 . 1 1 139 139 LEU N N 15 118.721 0.044 . 1 . . . . 139 LEU N . 18092 1 1635 . 1 1 140 140 LEU H H 1 7.789 0.003 . 1 . . . . 140 LEU HN . 18092 1 1636 . 1 1 140 140 LEU HA H 1 4.150 0.007 . 1 . . . . 140 LEU HA . 18092 1 1637 . 1 1 140 140 LEU HB2 H 1 1.696 0.005 . 1 . . . . 140 LEU HB2 . 18092 1 1638 . 1 1 140 140 LEU HB3 H 1 1.827 0.007 . 1 . . . . 140 LEU HB3 . 18092 1 1639 . 1 1 140 140 LEU HD11 H 1 0.848 0.006 . 2 . . . . 140 LEU HD11 . 18092 1 1640 . 1 1 140 140 LEU HD12 H 1 0.848 0.006 . 2 . . . . 140 LEU HD12 . 18092 1 1641 . 1 1 140 140 LEU HD13 H 1 0.848 0.006 . 2 . . . . 140 LEU HD13 . 18092 1 1642 . 1 1 140 140 LEU HD21 H 1 0.848 0.006 . 2 . . . . 140 LEU HD21 . 18092 1 1643 . 1 1 140 140 LEU HD22 H 1 0.848 0.006 . 2 . . . . 140 LEU HD22 . 18092 1 1644 . 1 1 140 140 LEU HD23 H 1 0.848 0.006 . 2 . . . . 140 LEU HD23 . 18092 1 1645 . 1 1 140 140 LEU C C 13 178.248 0.100 . 1 . . . . 140 LEU C . 18092 1 1646 . 1 1 140 140 LEU CA C 13 56.830 0.042 . 1 . . . . 140 LEU CA . 18092 1 1647 . 1 1 140 140 LEU CB C 13 41.926 0.155 . 1 . . . . 140 LEU CB . 18092 1 1648 . 1 1 140 140 LEU CD1 C 13 25.608 0.100 . 2 . . . . 140 LEU CD1 . 18092 1 1649 . 1 1 140 140 LEU CD2 C 13 25.331 0.100 . 2 . . . . 140 LEU CD2 . 18092 1 1650 . 1 1 140 140 LEU N N 15 116.629 0.050 . 1 . . . . 140 LEU N . 18092 1 1651 . 1 1 141 141 SER H H 1 7.845 0.003 . 1 . . . . 141 SER HN . 18092 1 1652 . 1 1 141 141 SER HA H 1 4.291 0.010 . 1 . . . . 141 SER HA . 18092 1 1653 . 1 1 141 141 SER HB2 H 1 3.929 0.006 . 2 . . . . 141 SER HB2 . 18092 1 1654 . 1 1 141 141 SER HB3 H 1 3.929 0.006 . 2 . . . . 141 SER HB3 . 18092 1 1655 . 1 1 141 141 SER C C 13 175.698 0.100 . 1 . . . . 141 SER C . 18092 1 1656 . 1 1 141 141 SER CA C 13 60.753 0.032 . 1 . . . . 141 SER CA . 18092 1 1657 . 1 1 141 141 SER CB C 13 63.441 0.231 . 1 . . . . 141 SER CB . 18092 1 1658 . 1 1 141 141 SER N N 15 114.250 0.039 . 1 . . . . 141 SER N . 18092 1 1659 . 1 1 142 142 ASP H H 1 8.048 0.005 . 1 . . . . 142 ASP HN . 18092 1 1660 . 1 1 142 142 ASP HA H 1 4.553 0.004 . 1 . . . . 142 ASP HA . 18092 1 1661 . 1 1 142 142 ASP HB2 H 1 2.743 0.006 . 2 . . . . 142 ASP HB2 . 18092 1 1662 . 1 1 142 142 ASP HB3 H 1 2.743 0.006 . 2 . . . . 142 ASP HB3 . 18092 1 1663 . 1 1 142 142 ASP C C 13 177.373 0.100 . 1 . . . . 142 ASP C . 18092 1 1664 . 1 1 142 142 ASP CA C 13 56.032 0.012 . 1 . . . . 142 ASP CA . 18092 1 1665 . 1 1 142 142 ASP CB C 13 41.264 0.010 . 1 . . . . 142 ASP CB . 18092 1 1666 . 1 1 142 142 ASP N N 15 121.240 0.024 . 1 . . . . 142 ASP N . 18092 1 1667 . 1 1 143 143 LEU H H 1 7.959 0.003 . 1 . . . . 143 LEU HN . 18092 1 1668 . 1 1 143 143 LEU HA H 1 4.174 0.007 . 1 . . . . 143 LEU HA . 18092 1 1669 . 1 1 143 143 LEU HB2 H 1 1.494 0.002 . 2 . . . . 143 LEU HB2 . 18092 1 1670 . 1 1 143 143 LEU HB3 H 1 1.764 0.006 . 2 . . . . 143 LEU HB3 . 18092 1 1671 . 1 1 143 143 LEU C C 13 178.177 0.100 . 1 . . . . 143 LEU C . 18092 1 1672 . 1 1 143 143 LEU CA C 13 56.528 0.100 . 1 . . . . 143 LEU CA . 18092 1 1673 . 1 1 143 143 LEU CB C 13 42.652 0.037 . 1 . . . . 143 LEU CB . 18092 1 1674 . 1 1 143 143 LEU N N 15 119.913 0.051 . 1 . . . . 143 LEU N . 18092 1 1675 . 1 1 144 144 GLU H H 1 8.185 0.003 . 1 . . . . 144 GLU HN . 18092 1 1676 . 1 1 144 144 GLU HA H 1 4.086 0.006 . 1 . . . . 144 GLU HA . 18092 1 1677 . 1 1 144 144 GLU HB2 H 1 1.877 0.001 . 2 . . . . 144 GLU HB2 . 18092 1 1678 . 1 1 144 144 GLU HB3 H 1 1.877 0.001 . 2 . . . . 144 GLU HB3 . 18092 1 1679 . 1 1 144 144 GLU C C 13 176.693 0.100 . 1 . . . . 144 GLU C . 18092 1 1680 . 1 1 144 144 GLU CA C 13 57.753 0.100 . 1 . . . . 144 GLU CA . 18092 1 1681 . 1 1 144 144 GLU CB C 13 30.425 0.100 . 1 . . . . 144 GLU CB . 18092 1 1682 . 1 1 144 144 GLU N N 15 118.710 0.032 . 1 . . . . 144 GLU N . 18092 1 1683 . 1 1 145 145 HIS H H 1 8.013 0.005 . 1 . . . . 145 HIS HN . 18092 1 1684 . 1 1 145 145 HIS HA H 1 4.542 0.003 . 1 . . . . 145 HIS HA . 18092 1 1685 . 1 1 145 145 HIS HB2 H 1 2.994 0.003 . 2 . . . . 145 HIS HB2 . 18092 1 1686 . 1 1 145 145 HIS HB3 H 1 3.061 0.050 . 2 . . . . 145 HIS HB3 . 18092 1 1687 . 1 1 145 145 HIS C C 13 173.976 0.100 . 1 . . . . 145 HIS C . 18092 1 1688 . 1 1 145 145 HIS CA C 13 56.467 0.196 . 1 . . . . 145 HIS CA . 18092 1 1689 . 1 1 145 145 HIS CB C 13 30.580 0.119 . 1 . . . . 145 HIS CB . 18092 1 1690 . 1 1 145 145 HIS N N 15 118.379 0.027 . 1 . . . . 145 HIS N . 18092 1 1691 . 1 1 146 146 HIS H H 1 7.970 0.002 . 1 . . . . 146 HIS HN . 18092 1 1692 . 1 1 146 146 HIS HA H 1 4.356 0.050 . 1 . . . . 146 HIS HA . 18092 1 1693 . 1 1 146 146 HIS HB2 H 1 3.088 0.050 . 2 . . . . 146 HIS HB2 . 18092 1 1694 . 1 1 146 146 HIS HB3 H 1 3.088 0.050 . 2 . . . . 146 HIS HB3 . 18092 1 1695 . 1 1 146 146 HIS CA C 13 57.632 0.100 . 1 . . . . 146 HIS CA . 18092 1 1696 . 1 1 146 146 HIS CB C 13 30.819 0.100 . 1 . . . . 146 HIS CB . 18092 1 1697 . 1 1 146 146 HIS N N 15 125.471 0.027 . 1 . . . . 146 HIS N . 18092 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18092 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1.000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 17 '15N{1H} NOE' . . . 18092 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 -0.012 0.222 . . . 6 SER N . 6 SER HN 18092 1 2 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 0.188 0.014 . . . 8 ALA N . 8 ALA HN 18092 1 3 . 1 1 9 9 ASP N N 15 . 1 1 9 9 ASP H H 1 0.323 0.017 . . . 9 ASP N . 9 ASP HN 18092 1 4 . 1 1 10 10 ARG N N 15 . 1 1 10 10 ARG H H 1 0.444 0.036 . . . 10 ARG N . 10 ARG HN 18092 1 5 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.531 0.031 . . . 11 ASN N . 11 ASN HN 18092 1 6 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.596 0.04 . . . 12 VAL N . 12 VAL HN 18092 1 7 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.689 0.092 . . . 13 GLU N . 13 GLU HN 18092 1 8 . 1 1 16 16 LYS N N 15 . 1 1 16 16 LYS H H 1 0.556 0.021 . . . 16 LYS N . 16 LYS HN 18092 1 9 . 1 1 17 17 ILE N N 15 . 1 1 17 17 ILE H H 1 0.818 0.053 . . . 17 ILE N . 17 ILE HN 18092 1 10 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.727 0.04 . . . 18 LYS N . 18 LYS HN 18092 1 11 . 1 1 19 19 LYS N N 15 . 1 1 19 19 LYS H H 1 0.781 0.036 . . . 19 LYS N . 19 LYS HN 18092 1 12 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.732 0.037 . . . 20 LEU N . 20 LEU HN 18092 1 13 . 1 1 21 21 ILE N N 15 . 1 1 21 21 ILE H H 1 0.79 0.059 . . . 21 ILE N . 21 ILE HN 18092 1 14 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.791 0.049 . . . 22 LYS N . 22 LYS HN 18092 1 15 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.773 0.038 . . . 23 SER N . 23 SER HN 18092 1 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.645 0.05 . . . 24 LEU N . 24 LEU HN 18092 1 17 . 1 1 25 25 GLU N N 15 . 1 1 25 25 GLU H H 1 0.804 0.064 . . . 25 GLU N . 25 GLU HN 18092 1 18 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.72 0.038 . . . 26 ALA N . 26 ALA HN 18092 1 19 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.703 0.035 . . . 27 ALA N . 27 ALA HN 18092 1 20 . 1 1 28 28 ARG N N 15 . 1 1 28 28 ARG H H 1 0.652 0.049 . . . 28 ARG N . 28 ARG HN 18092 1 21 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.71 0.046 . . . 29 GLY N . 29 GLY HN 18092 1 22 . 1 1 30 30 ASN N N 15 . 1 1 30 30 ASN H H 1 0.60 0.063 . . . 30 ASN N . 30 ASN HN 18092 1 23 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.396 0.052 . . . 31 GLY N . 31 GLY HN 18092 1 24 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.578 0.115 . . . 32 THR N . 32 THR HN 18092 1 25 . 1 1 33 33 SER N N 15 . 1 1 33 33 SER H H 1 0.618 0.046 . . . 33 SER N . 33 SER HN 18092 1 26 . 1 1 34 34 MET N N 15 . 1 1 34 34 MET H H 1 0.821 0.056 . . . 34 MET N . 34 MET HN 18092 1 27 . 1 1 35 35 ILE N N 15 . 1 1 35 35 ILE H H 1 0.788 0.068 . . . 35 ILE N . 35 ILE HN 18092 1 28 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.808 0.082 . . . 36 SER N . 36 SER HN 18092 1 29 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.749 0.058 . . . 37 LEU N . 37 LEU HN 18092 1 30 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.782 0.069 . . . 38 ILE N . 38 ILE HN 18092 1 31 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.846 0.061 . . . 39 ILE N . 39 ILE HN 18092 1 32 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.724 0.056 . . . 42 LYS N . 42 LYS HN 18092 1 33 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.80 0.039 . . . 43 ASP N . 43 ASP HN 18092 1 34 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 0.714 0.035 . . . 44 GLN N . 44 GLN HN 18092 1 35 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.777 0.074 . . . 45 ILE N . 45 ILE HN 18092 1 36 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.791 0.04 . . . 46 SER N . 46 SER HN 18092 1 37 . 1 1 47 47 ARG N N 15 . 1 1 47 47 ARG H H 1 0.809 0.048 . . . 47 ARG N . 47 ARG HN 18092 1 38 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.776 0.049 . . . 48 VAL N . 48 VAL HN 18092 1 39 . 1 1 49 49 ALA N N 15 . 1 1 49 49 ALA H H 1 0.764 0.034 . . . 49 ALA N . 49 ALA HN 18092 1 40 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.788 0.038 . . . 50 LYS N . 50 LYS HN 18092 1 41 . 1 1 51 51 MET N N 15 . 1 1 51 51 MET H H 1 0.767 0.047 . . . 51 MET N . 51 MET HN 18092 1 42 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.865 0.051 . . . 52 LEU N . 52 LEU HN 18092 1 43 . 1 1 53 53 ALA N N 15 . 1 1 53 53 ALA H H 1 0.802 0.035 . . . 53 ALA N . 53 ALA HN 18092 1 44 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.824 0.041 . . . 54 ASP N . 54 ASP HN 18092 1 45 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.797 0.097 . . . 55 GLU N . 55 GLU HN 18092 1 46 . 1 1 56 56 PHE N N 15 . 1 1 56 56 PHE H H 1 0.782 0.048 . . . 56 PHE N . 56 PHE HN 18092 1 47 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.767 0.113 . . . 57 GLY N . 57 GLY HN 18092 1 48 . 1 1 58 58 THR N N 15 . 1 1 58 58 THR H H 1 0.72 0.033 . . . 58 THR N . 58 THR HN 18092 1 49 . 1 1 59 59 ALA N N 15 . 1 1 59 59 ALA H H 1 0.709 0.033 . . . 59 ALA N . 59 ALA HN 18092 1 50 . 1 1 60 60 SER N N 15 . 1 1 60 60 SER H H 1 0.732 0.028 . . . 60 SER N . 60 SER HN 18092 1 51 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.658 0.038 . . . 61 ASN N . 61 ASN HN 18092 1 52 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.633 0.037 . . . 62 ILE N . 62 ILE HN 18092 1 53 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.708 0.081 . . . 63 LYS N . 63 LYS HN 18092 1 54 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.575 0.057 . . . 64 SER N . 64 SER HN 18092 1 55 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.663 0.038 . . . 66 VAL N . 66 VAL HN 18092 1 56 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.755 0.087 . . . 67 ASN N . 67 ASN HN 18092 1 57 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.735 0.049 . . . 68 ARG N . 68 ARG HN 18092 1 58 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.696 0.044 . . . 69 LEU N . 69 LEU HN 18092 1 59 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.771 0.05 . . . 70 SER N . 70 SER HN 18092 1 60 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.772 0.044 . . . 71 VAL N . 71 VAL HN 18092 1 61 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.863 0.062 . . . 72 LEU N . 72 LEU HN 18092 1 62 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.848 0.217 . . . 73 GLY N . 73 GLY HN 18092 1 63 . 1 1 74 74 ALA N N 15 . 1 1 74 74 ALA H H 1 0.841 0.042 . . . 74 ALA N . 74 ALA HN 18092 1 64 . 1 1 76 76 THR N N 15 . 1 1 76 76 THR H H 1 0.829 0.04 . . . 76 THR N . 76 THR HN 18092 1 65 . 1 1 77 77 SER N N 15 . 1 1 77 77 SER H H 1 0.835 0.04 . . . 77 SER N . 77 SER HN 18092 1 66 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.742 0.044 . . . 78 VAL N . 78 VAL HN 18092 1 67 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.82 0.04 . . . 80 GLN N . 80 GLN HN 18092 1 68 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.746 0.043 . . . 81 ARG N . 81 ARG HN 18092 1 69 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.767 0.04 . . . 82 LEU N . 82 LEU HN 18092 1 70 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.822 0.036 . . . 83 LYS N . 83 LYS HN 18092 1 71 . 1 1 84 84 LEU N N 15 . 1 1 84 84 LEU H H 1 0.741 0.038 . . . 84 LEU N . 84 LEU HN 18092 1 72 . 1 1 85 85 TYR N N 15 . 1 1 85 85 TYR H H 1 0.756 0.04 . . . 85 TYR N . 85 TYR HN 18092 1 73 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.687 0.028 . . . 87 LYS N . 87 LYS HN 18092 1 74 . 1 1 88 88 VAL N N 15 . 1 1 88 88 VAL H H 1 0.716 0.028 . . . 88 VAL N . 88 VAL HN 18092 1 75 . 1 1 91 91 ASN N N 15 . 1 1 91 91 ASN H H 1 0.74 0.045 . . . 91 ASN N . 91 ASN HN 18092 1 76 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.825 0.038 . . . 92 GLY N . 92 GLY HN 18092 1 77 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.81 0.054 . . . 93 LEU N . 93 LEU HN 18092 1 78 . 1 1 94 94 VAL N N 15 . 1 1 94 94 VAL H H 1 0.742 0.053 . . . 94 VAL N . 94 VAL HN 18092 1 79 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.828 0.065 . . . 95 VAL N . 95 VAL HN 18092 1 80 . 1 1 96 96 TYR N N 15 . 1 1 96 96 TYR H H 1 0.81 0.064 . . . 96 TYR N . 96 TYR HN 18092 1 81 . 1 1 97 97 CYS N N 15 . 1 1 97 97 CYS H H 1 0.799 0.069 . . . 97 CYS N . 97 CYS HN 18092 1 82 . 1 1 98 98 GLY N N 15 . 1 1 98 98 GLY H H 1 0.862 0.05 . . . 98 GLY N . 98 GLY HN 18092 1 83 . 1 1 99 99 THR N N 15 . 1 1 99 99 THR H H 1 0.631 0.072 . . . 99 THR N . 99 THR HN 18092 1 84 . 1 1 100 100 ILE N N 15 . 1 1 100 100 ILE H H 1 0.669 0.05 . . . 100 ILE N . 100 ILE HN 18092 1 85 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.714 0.047 . . . 101 VAL N . 101 VAL HN 18092 1 86 . 1 1 102 102 THR N N 15 . 1 1 102 102 THR H H 1 0.616 0.029 . . . 102 THR N . 102 THR HN 18092 1 87 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.481 0.04 . . . 104 GLU N . 104 GLU HN 18092 1 88 . 1 1 105 105 GLY N N 15 . 1 1 105 105 GLY H H 1 0.55 0.024 . . . 105 GLY N . 105 GLY HN 18092 1 89 . 1 1 106 106 LYS N N 15 . 1 1 106 106 LYS H H 1 0.484 0.027 . . . 106 LYS N . 106 LYS HN 18092 1 90 . 1 1 107 107 GLU N N 15 . 1 1 107 107 GLU H H 1 0.567 0.023 . . . 107 GLU N . 107 GLU HN 18092 1 91 . 1 1 108 108 LYS N N 15 . 1 1 108 108 LYS H H 1 0.651 0.033 . . . 108 LYS N . 108 LYS HN 18092 1 92 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.654 0.036 . . . 109 LYS N . 109 LYS HN 18092 1 93 . 1 1 110 110 VAL N N 15 . 1 1 110 110 VAL H H 1 0.634 0.051 . . . 110 VAL N . 110 VAL HN 18092 1 94 . 1 1 111 111 ASN N N 15 . 1 1 111 111 ASN H H 1 0.717 0.075 . . . 111 ASN N . 111 ASN HN 18092 1 95 . 1 1 112 112 ILE N N 15 . 1 1 112 112 ILE H H 1 0.692 0.049 . . . 112 ILE N . 112 ILE HN 18092 1 96 . 1 1 113 113 ASP N N 15 . 1 1 113 113 ASP H H 1 0.892 0.047 . . . 113 ASP N . 113 ASP HN 18092 1 97 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.883 0.049 . . . 114 PHE N . 114 PHE HN 18092 1 98 . 1 1 115 115 GLU N N 15 . 1 1 115 115 GLU H H 1 0.837 0.053 . . . 115 GLU N . 115 GLU HN 18092 1 99 . 1 1 117 117 PHE N N 15 . 1 1 117 117 PHE H H 1 0.697 0.128 . . . 117 PHE N . 117 PHE HN 18092 1 100 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.707 0.048 . . . 118 LYS N . 118 LYS HN 18092 1 101 . 1 1 120 120 ILE N N 15 . 1 1 120 120 ILE H H 1 0.785 0.049 . . . 120 ILE N . 120 ILE HN 18092 1 102 . 1 1 122 122 THR N N 15 . 1 1 122 122 THR H H 1 0.451 0.021 . . . 122 THR N . 122 THR HN 18092 1 103 . 1 1 123 123 SER N N 15 . 1 1 123 123 SER H H 1 0.563 0.03 . . . 123 SER N . 123 SER HN 18092 1 104 . 1 1 124 124 LEU N N 15 . 1 1 124 124 LEU H H 1 0.755 0.05 . . . 124 LEU N . 124 LEU HN 18092 1 105 . 1 1 125 125 TYR N N 15 . 1 1 125 125 TYR H H 1 0.716 0.044 . . . 125 TYR N . 125 TYR HN 18092 1 106 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.762 0.047 . . . 126 LEU N . 126 LEU HN 18092 1 107 . 1 1 127 127 CYS N N 15 . 1 1 127 127 CYS H H 1 0.703 0.043 . . . 127 CYS N . 127 CYS HN 18092 1 108 . 1 1 128 128 ASP N N 15 . 1 1 128 128 ASP H H 1 0.76 0.063 . . . 128 ASP N . 128 ASP HN 18092 1 109 . 1 1 129 129 ASN N N 15 . 1 1 129 129 ASN H H 1 0.814 0.05 . . . 129 ASN N . 129 ASN HN 18092 1 110 . 1 1 130 130 LYS N N 15 . 1 1 130 130 LYS H H 1 0.747 0.039 . . . 130 LYS N . 130 LYS HN 18092 1 111 . 1 1 131 131 PHE N N 15 . 1 1 131 131 PHE H H 1 0.857 0.09 . . . 131 PHE N . 131 PHE HN 18092 1 112 . 1 1 132 132 HIS N N 15 . 1 1 132 132 HIS H H 1 0.829 0.093 . . . 132 HIS N . 132 HIS HN 18092 1 113 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 0.936 0.141 . . . 134 GLU N . 134 GLU HN 18092 1 114 . 1 1 135 135 ALA N N 15 . 1 1 135 135 ALA H H 1 0.692 0.072 . . . 135 ALA N . 135 ALA HN 18092 1 115 . 1 1 136 136 LEU N N 15 . 1 1 136 136 LEU H H 1 0.71 0.047 . . . 136 LEU N . 136 LEU HN 18092 1 116 . 1 1 137 137 THR N N 15 . 1 1 137 137 THR H H 1 0.732 0.038 . . . 137 THR N . 137 THR HN 18092 1 117 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 0.732 0.035 . . . 138 ALA N . 138 ALA HN 18092 1 118 . 1 1 139 139 LEU N N 15 . 1 1 139 139 LEU H H 1 0.734 0.042 . . . 139 LEU N . 139 LEU HN 18092 1 119 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.763 0.063 . . . 140 LEU N . 140 LEU HN 18092 1 120 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.652 0.032 . . . 141 SER N . 141 SER HN 18092 1 121 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.512 0.034 . . . 143 LEU N . 143 LEU HN 18092 1 122 . 1 1 144 144 GLU N N 15 . 1 1 144 144 GLU H H 1 0.487 0.027 . . . 144 GLU N . 144 GLU HN 18092 1 123 . 1 1 145 145 HIS N N 15 . 1 1 145 145 HIS H H 1 0.291 0.057 . . . 145 HIS N . 145 HIS HN 18092 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18092 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 18 '15N T1' . . . 18092 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ALA N N 15 0.716 0.047 . . 2 ALA N 18092 1 2 . 1 1 3 3 ASP N N 15 1.121 0.040 . . 3 ASP N 18092 1 3 . 1 1 6 6 SER N N 15 1.578 0.056 . . 6 SER N 18092 1 4 . 1 1 8 8 ALA N N 15 1.504 0.060 . . 8 ALA N 18092 1 5 . 1 1 9 9 ASP N N 15 1.466 0.052 . . 9 ASP N 18092 1 6 . 1 1 10 10 ARG N N 15 1.373 0.050 . . 10 ARG N 18092 1 7 . 1 1 11 11 ASN N N 15 1.441 0.085 . . 11 ASN N 18092 1 8 . 1 1 12 12 VAL N N 15 1.266 0.036 . . 12 VAL N 18092 1 9 . 1 1 13 13 GLU N N 15 1.159 0.024 . . 13 GLU N 18092 1 10 . 1 1 16 16 LYS N N 15 1.220 0.020 . . 16 LYS N 18092 1 11 . 1 1 17 17 ILE N N 15 1.046 0.030 . . 17 ILE N 18092 1 12 . 1 1 18 18 LYS N N 15 1.064 0.027 . . 18 LYS N 18092 1 13 . 1 1 19 19 LYS N N 15 1.073 0.018 . . 19 LYS N 18092 1 14 . 1 1 20 20 LEU N N 15 1.031 0.022 . . 20 LEU N 18092 1 15 . 1 1 21 21 ILE N N 15 0.985 0.019 . . 21 ILE N 18092 1 16 . 1 1 22 22 LYS N N 15 1.014 0.033 . . 22 LYS N 18092 1 17 . 1 1 23 23 SER N N 15 1.084 0.015 . . 23 SER N 18092 1 18 . 1 1 24 24 LEU N N 15 1.047 0.026 . . 24 LEU N 18092 1 19 . 1 1 25 25 GLU N N 15 1.075 0.037 . . 25 GLU N 18092 1 20 . 1 1 26 26 ALA N N 15 1.238 0.038 . . 26 ALA N 18092 1 21 . 1 1 27 27 ALA N N 15 1.041 0.024 . . 27 ALA N 18092 1 22 . 1 1 28 28 ARG N N 15 1.162 0.027 . . 28 ARG N 18092 1 23 . 1 1 29 29 GLY N N 15 1.141 0.027 . . 29 GLY N 18092 1 24 . 1 1 30 30 ASN N N 15 1.239 0.053 . . 30 ASN N 18092 1 25 . 1 1 31 31 GLY N N 15 1.302 0.067 . . 31 GLY N 18092 1 26 . 1 1 32 32 THR N N 15 1.078 0.092 . . 32 THR N 18092 1 27 . 1 1 33 33 SER N N 15 1.201 0.033 . . 33 SER N 18092 1 28 . 1 1 34 34 MET N N 15 1.241 0.048 . . 34 MET N 18092 1 29 . 1 1 35 35 ILE N N 15 1.184 0.057 . . 35 ILE N 18092 1 30 . 1 1 36 36 SER N N 15 1.080 0.052 . . 36 SER N 18092 1 31 . 1 1 37 37 LEU N N 15 1.094 0.035 . . 37 LEU N 18092 1 32 . 1 1 38 38 ILE N N 15 1.053 0.056 . . 38 ILE N 18092 1 33 . 1 1 39 39 ILE N N 15 1.119 0.019 . . 39 ILE N 18092 1 34 . 1 1 42 42 LYS N N 15 1.203 0.030 . . 42 LYS N 18092 1 35 . 1 1 43 43 ASP N N 15 1.073 0.021 . . 43 ASP N 18092 1 36 . 1 1 44 44 GLN N N 15 1.021 0.018 . . 44 GLN N 18092 1 37 . 1 1 45 45 ILE N N 15 1.137 0.075 . . 45 ILE N 18092 1 38 . 1 1 46 46 SER N N 15 1.166 0.041 . . 46 SER N 18092 1 39 . 1 1 47 47 ARG N N 15 1.022 0.032 . . 47 ARG N 18092 1 40 . 1 1 48 48 VAL N N 15 1.030 0.045 . . 48 VAL N 18092 1 41 . 1 1 49 49 ALA N N 15 1.059 0.015 . . 49 ALA N 18092 1 42 . 1 1 50 50 LYS N N 15 1.003 0.026 . . 50 LYS N 18092 1 43 . 1 1 51 51 MET N N 15 1.026 0.024 . . 51 MET N 18092 1 44 . 1 1 52 52 LEU N N 15 1.070 0.028 . . 52 LEU N 18092 1 45 . 1 1 53 53 ALA N N 15 1.051 0.012 . . 53 ALA N 18092 1 46 . 1 1 54 54 ASP N N 15 0.946 0.019 . . 54 ASP N 18092 1 47 . 1 1 55 55 GLU N N 15 1.067 0.055 . . 55 GLU N 18092 1 48 . 1 1 56 56 PHE N N 15 1.150 0.036 . . 56 PHE N 18092 1 49 . 1 1 57 57 GLY N N 15 1.004 0.094 . . 57 GLY N 18092 1 50 . 1 1 58 58 THR N N 15 1.130 0.024 . . 58 THR N 18092 1 51 . 1 1 59 59 ALA N N 15 1.236 0.027 . . 59 ALA N 18092 1 52 . 1 1 60 60 SER N N 15 1.259 0.037 . . 60 SER N 18092 1 53 . 1 1 61 61 ASN N N 15 1.157 0.026 . . 61 ASN N 18092 1 54 . 1 1 62 62 ILE N N 15 1.252 0.050 . . 62 ILE N 18092 1 55 . 1 1 63 63 LYS N N 15 1.291 0.058 . . 63 LYS N 18092 1 56 . 1 1 64 64 SER N N 15 1.011 0.054 . . 64 SER N 18092 1 57 . 1 1 66 66 VAL N N 15 1.246 0.044 . . 66 VAL N 18092 1 58 . 1 1 67 67 ASN N N 15 1.157 0.056 . . 67 ASN N 18092 1 59 . 1 1 68 68 ARG N N 15 1.271 0.057 . . 68 ARG N 18092 1 60 . 1 1 69 69 LEU N N 15 1.161 0.043 . . 69 LEU N 18092 1 61 . 1 1 70 70 SER N N 15 1.208 0.055 . . 70 SER N 18092 1 62 . 1 1 71 71 VAL N N 15 1.177 0.028 . . 71 VAL N 18092 1 63 . 1 1 72 72 LEU N N 15 1.072 0.032 . . 72 LEU N 18092 1 64 . 1 1 73 73 GLY N N 15 1.147 0.103 . . 73 GLY N 18092 1 65 . 1 1 74 74 ALA N N 15 1.119 0.029 . . 74 ALA N 18092 1 66 . 1 1 76 76 THR N N 15 1.073 0.030 . . 76 THR N 18092 1 67 . 1 1 77 77 SER N N 15 1.149 0.026 . . 77 SER N 18092 1 68 . 1 1 78 78 VAL N N 15 1.146 0.034 . . 78 VAL N 18092 1 69 . 1 1 80 80 GLN N N 15 1.099 0.028 . . 80 GLN N 18092 1 70 . 1 1 81 81 ARG N N 15 1.103 0.017 . . 81 ARG N 18092 1 71 . 1 1 82 82 LEU N N 15 1.029 0.021 . . 82 LEU N 18092 1 72 . 1 1 83 83 LYS N N 15 1.098 0.017 . . 83 LYS N 18092 1 73 . 1 1 84 84 LEU N N 15 1.131 0.016 . . 84 LEU N 18092 1 74 . 1 1 85 85 TYR N N 15 1.007 0.017 . . 85 TYR N 18092 1 75 . 1 1 87 87 LYS N N 15 1.210 0.033 . . 87 LYS N 18092 1 76 . 1 1 88 88 VAL N N 15 1.167 0.023 . . 88 VAL N 18092 1 77 . 1 1 91 91 ASN N N 15 1.179 0.042 . . 91 ASN N 18092 1 78 . 1 1 92 92 GLY N N 15 1.157 0.020 . . 92 GLY N 18092 1 79 . 1 1 93 93 LEU N N 15 1.097 0.031 . . 93 LEU N 18092 1 80 . 1 1 94 94 VAL N N 15 1.135 0.025 . . 94 VAL N 18092 1 81 . 1 1 95 95 VAL N N 15 1.125 0.038 . . 95 VAL N 18092 1 82 . 1 1 96 96 TYR N N 15 1.199 0.049 . . 96 TYR N 18092 1 83 . 1 1 97 97 CYS N N 15 1.111 0.030 . . 97 CYS N 18092 1 84 . 1 1 98 98 GLY N N 15 1.139 0.034 . . 98 GLY N 18092 1 85 . 1 1 99 99 THR N N 15 1.202 0.020 . . 99 THR N 18092 1 86 . 1 1 100 100 ILE N N 15 1.212 0.030 . . 100 ILE N 18092 1 87 . 1 1 101 101 VAL N N 15 1.162 0.030 . . 101 VAL N 18092 1 88 . 1 1 102 102 THR N N 15 1.182 0.020 . . 102 THR N 18092 1 89 . 1 1 104 104 GLU N N 15 1.201 0.057 . . 104 GLU N 18092 1 90 . 1 1 105 105 GLY N N 15 1.159 0.026 . . 105 GLY N 18092 1 91 . 1 1 106 106 LYS N N 15 1.069 0.018 . . 106 LYS N 18092 1 92 . 1 1 107 107 GLU N N 15 1.116 0.025 . . 107 GLU N 18092 1 93 . 1 1 108 108 LYS N N 15 1.127 0.014 . . 108 LYS N 18092 1 94 . 1 1 109 109 LYS N N 15 1.179 0.032 . . 109 LYS N 18092 1 95 . 1 1 110 110 VAL N N 15 1.024 0.019 . . 110 VAL N 18092 1 96 . 1 1 111 111 ASN N N 15 1.279 0.141 . . 111 ASN N 18092 1 97 . 1 1 112 112 ILE N N 15 1.081 0.024 . . 112 ILE N 18092 1 98 . 1 1 113 113 ASP N N 15 1.038 0.058 . . 113 ASP N 18092 1 99 . 1 1 114 114 PHE N N 15 1.108 0.022 . . 114 PHE N 18092 1 100 . 1 1 115 115 GLU N N 15 1.197 0.037 . . 115 GLU N 18092 1 101 . 1 1 117 117 PHE N N 15 1.244 0.044 . . 117 PHE N 18092 1 102 . 1 1 118 118 LYS N N 15 1.091 0.020 . . 118 LYS N 18092 1 103 . 1 1 120 120 ILE N N 15 1.159 0.023 . . 120 ILE N 18092 1 104 . 1 1 122 122 THR N N 15 1.125 0.015 . . 122 THR N 18092 1 105 . 1 1 123 123 SER N N 15 1.211 0.024 . . 123 SER N 18092 1 106 . 1 1 124 124 LEU N N 15 1.189 0.018 . . 124 LEU N 18092 1 107 . 1 1 125 125 TYR N N 15 1.158 0.029 . . 125 TYR N 18092 1 108 . 1 1 126 126 LEU N N 15 1.085 0.029 . . 126 LEU N 18092 1 109 . 1 1 127 127 CYS N N 15 1.110 0.028 . . 127 CYS N 18092 1 110 . 1 1 128 128 ASP N N 15 1.154 0.036 . . 128 ASP N 18092 1 111 . 1 1 129 129 ASN N N 15 1.225 0.041 . . 129 ASN N 18092 1 112 . 1 1 130 130 LYS N N 15 1.179 0.023 . . 130 LYS N 18092 1 113 . 1 1 131 131 PHE N N 15 1.076 0.033 . . 131 PHE N 18092 1 114 . 1 1 132 132 HIS N N 15 1.168 0.052 . . 132 HIS N 18092 1 115 . 1 1 134 134 GLU N N 15 1.177 0.112 . . 134 GLU N 18092 1 116 . 1 1 135 135 ALA N N 15 1.188 0.065 . . 135 ALA N 18092 1 117 . 1 1 136 136 LEU N N 15 1.056 0.023 . . 136 LEU N 18092 1 118 . 1 1 137 137 THR N N 15 1.014 0.015 . . 137 THR N 18092 1 119 . 1 1 138 138 ALA N N 15 1.076 0.020 . . 138 ALA N 18092 1 120 . 1 1 139 139 LEU N N 15 1.084 0.031 . . 139 LEU N 18092 1 121 . 1 1 140 140 LEU N N 15 1.082 0.020 . . 140 LEU N 18092 1 122 . 1 1 141 141 SER N N 15 1.165 0.025 . . 141 SER N 18092 1 123 . 1 1 143 143 LEU N N 15 1.409 0.020 . . 143 LEU N 18092 1 124 . 1 1 144 144 GLU N N 15 1.459 0.033 . . 144 GLU N 18092 1 125 . 1 1 145 145 HIS N N 15 1.599 0.142 . . 145 HIS N 18092 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18092 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 19 '15N T2' . . . 18092 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ALA N N 15 1.911 0.180 0.000 0.000 . . 2 ALA N 18092 1 2 . 1 1 3 3 ASP N N 15 3.285 0.296 0.000 0.000 . . 3 ASP N 18092 1 3 . 1 1 6 6 SER N N 15 4.927 0.095 0.000 0.000 . . 6 SER N 18092 1 4 . 1 1 8 8 ALA N N 15 6.731 0.131 0.000 0.000 . . 8 ALA N 18092 1 5 . 1 1 9 9 ASP N N 15 8.286 0.116 0.000 0.000 . . 9 ASP N 18092 1 6 . 1 1 10 10 ARG N N 15 10.661 0.134 0.000 0.000 . . 10 ARG N 18092 1 7 . 1 1 11 11 ASN N N 15 12.947 0.496 0.000 0.000 . . 11 ASN N 18092 1 8 . 1 1 12 12 VAL N N 15 13.448 0.200 0.000 0.000 . . 12 VAL N 18092 1 9 . 1 1 13 13 GLU N N 15 16.614 0.505 0.000 0.000 . . 13 GLU N 18092 1 10 . 1 1 16 16 LYS N N 15 13.342 0.286 0.000 0.000 . . 16 LYS N 18092 1 11 . 1 1 17 17 ILE N N 15 18.013 0.377 0.000 0.000 . . 17 ILE N 18092 1 12 . 1 1 18 18 LYS N N 15 17.245 0.283 0.000 0.000 . . 18 LYS N 18092 1 13 . 1 1 19 19 LYS N N 15 15.868 0.204 0.000 0.000 . . 19 LYS N 18092 1 14 . 1 1 20 20 LEU N N 15 15.874 0.427 0.000 0.000 . . 20 LEU N 18092 1 15 . 1 1 21 21 ILE N N 15 17.540 0.497 0.000 0.000 . . 21 ILE N 18092 1 16 . 1 1 22 22 LYS N N 15 16.967 0.537 0.000 0.000 . . 22 LYS N 18092 1 17 . 1 1 23 23 SER N N 15 15.169 0.281 0.000 0.000 . . 23 SER N 18092 1 18 . 1 1 24 24 LEU N N 15 16.944 0.448 0.000 0.000 . . 24 LEU N 18092 1 19 . 1 1 25 25 GLU N N 15 17.668 0.509 0.000 0.000 . . 25 GLU N 18092 1 20 . 1 1 26 26 ALA N N 15 15.001 0.250 0.000 0.000 . . 26 ALA N 18092 1 21 . 1 1 27 27 ALA N N 15 14.296 0.251 0.000 0.000 . . 27 ALA N 18092 1 22 . 1 1 28 28 ARG N N 15 12.256 0.224 0.000 0.000 . . 28 ARG N 18092 1 23 . 1 1 29 29 GLY N N 15 12.793 0.322 0.000 0.000 . . 29 GLY N 18092 1 24 . 1 1 30 30 ASN N N 15 11.228 0.310 0.000 0.000 . . 30 ASN N 18092 1 25 . 1 1 31 31 GLY N N 15 9.465 0.488 0.000 0.000 . . 31 GLY N 18092 1 26 . 1 1 32 32 THR N N 15 18.464 0.812 0.000 0.000 . . 32 THR N 18092 1 27 . 1 1 33 33 SER N N 15 11.583 0.308 0.000 0.000 . . 33 SER N 18092 1 28 . 1 1 34 34 MET N N 15 15.681 0.533 0.000 0.000 . . 34 MET N 18092 1 29 . 1 1 35 35 ILE N N 15 15.325 0.581 0.000 0.000 . . 35 ILE N 18092 1 30 . 1 1 36 36 SER N N 15 14.449 0.616 0.000 0.000 . . 36 SER N 18092 1 31 . 1 1 37 37 LEU N N 15 14.558 0.358 0.000 0.000 . . 37 LEU N 18092 1 32 . 1 1 38 38 ILE N N 15 15.328 0.473 0.000 0.000 . . 38 ILE N 18092 1 33 . 1 1 39 39 ILE N N 15 14.377 0.424 0.000 0.000 . . 39 ILE N 18092 1 34 . 1 1 42 42 LYS N N 15 12.521 0.224 0.000 0.000 . . 42 LYS N 18092 1 35 . 1 1 43 43 ASP N N 15 13.912 0.386 0.000 0.000 . . 43 ASP N 18092 1 36 . 1 1 44 44 GLN N N 15 12.908 0.290 0.000 0.000 . . 44 GLN N 18092 1 37 . 1 1 45 45 ILE N N 15 18.250 0.785 1.632 0.303 . . 45 ILE N 18092 1 38 . 1 1 46 46 SER N N 15 16.987 0.465 0.000 0.000 . . 46 SER N 18092 1 39 . 1 1 47 47 ARG N N 15 15.992 0.295 0.000 0.000 . . 47 ARG N 18092 1 40 . 1 1 48 48 VAL N N 15 16.630 0.312 0.000 0.000 . . 48 VAL N 18092 1 41 . 1 1 49 49 ALA N N 15 16.505 0.353 0.000 0.000 . . 49 ALA N 18092 1 42 . 1 1 50 50 LYS N N 15 17.516 0.375 0.000 0.000 . . 50 LYS N 18092 1 43 . 1 1 51 51 MET N N 15 16.298 0.365 0.000 0.000 . . 51 MET N 18092 1 44 . 1 1 52 52 LEU N N 15 17.230 0.420 0.000 0.000 . . 52 LEU N 18092 1 45 . 1 1 53 53 ALA N N 15 15.864 0.262 0.000 0.000 . . 53 ALA N 18092 1 46 . 1 1 54 54 ASP N N 15 16.817 0.461 2.157 0.125 . . 54 ASP N 18092 1 47 . 1 1 55 55 GLU N N 15 23.342 2.258 6.377 0.687 . . 55 GLU N 18092 1 48 . 1 1 56 56 PHE N N 15 16.457 0.518 0.000 0.000 . . 56 PHE N 18092 1 49 . 1 1 57 57 GLY N N 15 20.079 3.090 4.842 1.269 . . 57 GLY N 18092 1 50 . 1 1 58 58 THR N N 15 16.208 0.270 0.000 0.000 . . 58 THR N 18092 1 51 . 1 1 59 59 ALA N N 15 15.943 0.307 0.000 0.000 . . 59 ALA N 18092 1 52 . 1 1 60 60 SER N N 15 14.055 0.275 0.000 0.000 . . 60 SER N 18092 1 53 . 1 1 61 61 ASN N N 15 16.135 0.359 0.000 0.000 . . 61 ASN N 18092 1 54 . 1 1 62 62 ILE N N 15 13.398 0.315 0.000 0.000 . . 62 ILE N 18092 1 55 . 1 1 63 63 LYS N N 15 17.055 1.465 1.517 0.752 . . 63 LYS N 18092 1 56 . 1 1 64 64 SER N N 15 12.444 0.531 0.000 0.000 . . 64 SER N 18092 1 57 . 1 1 66 66 VAL N N 15 17.006 0.290 0.000 0.000 . . 66 VAL N 18092 1 58 . 1 1 67 67 ASN N N 15 17.975 0.846 2.416 0.306 . . 67 ASN N 18092 1 59 . 1 1 68 68 ARG N N 15 16.850 0.736 0.000 0.000 . . 68 ARG N 18092 1 60 . 1 1 69 69 LEU N N 15 15.901 0.165 0.000 0.000 . . 69 LEU N 18092 1 61 . 1 1 70 70 SER N N 15 15.273 0.437 0.000 0.000 . . 70 SER N 18092 1 62 . 1 1 71 71 VAL N N 15 15.298 0.455 0.000 0.000 . . 71 VAL N 18092 1 63 . 1 1 72 72 LEU N N 15 16.954 0.481 0.000 0.000 . . 72 LEU N 18092 1 64 . 1 1 73 73 GLY N N 15 14.038 2.365 0.000 0.000 . . 73 GLY N 18092 1 65 . 1 1 74 74 ALA N N 15 15.289 0.481 0.000 0.000 . . 74 ALA N 18092 1 66 . 1 1 76 76 THR N N 15 15.622 0.387 0.000 0.000 . . 76 THR N 18092 1 67 . 1 1 77 77 SER N N 15 15.058 0.377 0.000 0.000 . . 77 SER N 18092 1 68 . 1 1 78 78 VAL N N 15 15.799 0.382 0.000 0.000 . . 78 VAL N 18092 1 69 . 1 1 80 80 GLN N N 15 14.533 0.407 0.000 0.000 . . 80 GLN N 18092 1 70 . 1 1 81 81 ARG N N 15 15.333 0.227 0.000 0.000 . . 81 ARG N 18092 1 71 . 1 1 82 82 LEU N N 15 15.898 0.323 0.000 0.000 . . 82 LEU N 18092 1 72 . 1 1 83 83 LYS N N 15 14.605 0.215 0.000 0.000 . . 83 LYS N 18092 1 73 . 1 1 84 84 LEU N N 15 14.395 0.285 0.000 0.000 . . 84 LEU N 18092 1 74 . 1 1 85 85 TYR N N 15 15.935 0.155 0.000 0.000 . . 85 TYR N 18092 1 75 . 1 1 87 87 LYS N N 15 13.393 0.201 0.000 0.000 . . 87 LYS N 18092 1 76 . 1 1 88 88 VAL N N 15 12.776 0.125 0.000 0.000 . . 88 VAL N 18092 1 77 . 1 1 91 91 ASN N N 15 13.078 0.380 0.000 0.000 . . 91 ASN N 18092 1 78 . 1 1 92 92 GLY N N 15 14.558 0.215 0.000 0.000 . . 92 GLY N 18092 1 79 . 1 1 93 93 LEU N N 15 15.212 0.415 0.000 0.000 . . 93 LEU N 18092 1 80 . 1 1 94 94 VAL N N 15 14.624 0.315 0.000 0.000 . . 94 VAL N 18092 1 81 . 1 1 95 95 VAL N N 15 14.404 0.602 0.000 0.000 . . 95 VAL N 18092 1 82 . 1 1 96 96 TYR N N 15 14.167 0.327 0.000 0.000 . . 96 TYR N 18092 1 83 . 1 1 97 97 CYS N N 15 15.629 0.420 0.000 0.000 . . 97 CYS N 18092 1 84 . 1 1 98 98 GLY N N 15 15.760 0.399 0.000 0.000 . . 98 GLY N 18092 1 85 . 1 1 99 99 THR N N 15 13.154 0.154 0.000 0.000 . . 99 THR N 18092 1 86 . 1 1 100 100 ILE N N 15 14.004 0.304 0.000 0.000 . . 100 ILE N 18092 1 87 . 1 1 101 101 VAL N N 15 13.630 0.254 0.000 0.000 . . 101 VAL N 18092 1 88 . 1 1 102 102 THR N N 15 13.386 0.073 0.000 0.000 . . 102 THR N 18092 1 89 . 1 1 104 104 GLU N N 15 13.155 0.189 0.000 0.000 . . 104 GLU N 18092 1 90 . 1 1 105 105 GLY N N 15 13.315 0.180 0.000 0.000 . . 105 GLY N 18092 1 91 . 1 1 106 106 LYS N N 15 12.917 0.171 0.000 0.000 . . 106 LYS N 18092 1 92 . 1 1 107 107 GLU N N 15 12.192 0.153 0.000 0.000 . . 107 GLU N 18092 1 93 . 1 1 108 108 LYS N N 15 12.405 0.304 0.000 0.000 . . 108 LYS N 18092 1 94 . 1 1 109 109 LYS N N 15 12.464 0.173 0.000 0.000 . . 109 LYS N 18092 1 95 . 1 1 110 110 VAL N N 15 14.860 0.465 0.000 0.000 . . 110 VAL N 18092 1 96 . 1 1 111 111 ASN N N 15 16.754 1.411 0.000 0.000 . . 111 ASN N 18092 1 97 . 1 1 112 112 ILE N N 15 13.752 0.371 0.000 0.000 . . 112 ILE N 18092 1 98 . 1 1 113 113 ASP N N 15 13.653 0.220 0.000 0.000 . . 113 ASP N 18092 1 99 . 1 1 114 114 PHE N N 15 15.041 0.262 0.000 0.000 . . 114 PHE N 18092 1 100 . 1 1 115 115 GLU N N 15 12.896 0.355 0.000 0.000 . . 115 GLU N 18092 1 101 . 1 1 117 117 PHE N N 15 14.973 0.418 0.000 0.000 . . 117 PHE N 18092 1 102 . 1 1 118 118 LYS N N 15 18.212 0.464 0.000 0.000 . . 118 LYS N 18092 1 103 . 1 1 120 120 ILE N N 15 13.834 0.398 0.000 0.000 . . 120 ILE N 18092 1 104 . 1 1 122 122 THR N N 15 9.301 0.090 0.000 0.000 . . 122 THR N 18092 1 105 . 1 1 123 123 SER N N 15 10.635 0.122 0.000 0.000 . . 123 SER N 18092 1 106 . 1 1 124 124 LEU N N 15 14.213 0.223 0.000 0.000 . . 124 LEU N 18092 1 107 . 1 1 125 125 TYR N N 15 13.000 0.291 0.000 0.000 . . 125 TYR N 18092 1 108 . 1 1 126 126 LEU N N 15 13.816 0.301 0.000 0.000 . . 126 LEU N 18092 1 109 . 1 1 127 127 CYS N N 15 13.300 0.320 0.000 0.000 . . 127 CYS N 18092 1 110 . 1 1 128 128 ASP N N 15 14.539 0.454 0.000 0.000 . . 128 ASP N 18092 1 111 . 1 1 129 129 ASN N N 15 14.817 0.727 0.000 0.000 . . 129 ASN N 18092 1 112 . 1 1 130 130 LYS N N 15 14.461 0.547 0.000 0.000 . . 130 LYS N 18092 1 113 . 1 1 131 131 PHE N N 15 14.663 0.564 0.000 0.000 . . 131 PHE N 18092 1 114 . 1 1 132 132 HIS N N 15 16.161 0.418 0.000 0.000 . . 132 HIS N 18092 1 115 . 1 1 134 134 GLU N N 15 22.376 1.447 4.455 0.640 . . 134 GLU N 18092 1 116 . 1 1 135 135 ALA N N 15 19.206 1.057 3.553 0.520 . . 135 ALA N 18092 1 117 . 1 1 136 136 LEU N N 15 15.727 0.246 0.000 0.000 . . 136 LEU N 18092 1 118 . 1 1 137 137 THR N N 15 15.724 0.354 0.000 0.000 . . 137 THR N 18092 1 119 . 1 1 138 138 ALA N N 15 15.772 0.329 0.000 0.000 . . 138 ALA N 18092 1 120 . 1 1 139 139 LEU N N 15 16.851 0.327 0.000 0.000 . . 139 LEU N 18092 1 121 . 1 1 140 140 LEU N N 15 15.910 0.293 0.000 0.000 . . 140 LEU N 18092 1 122 . 1 1 141 141 SER N N 15 14.548 0.164 0.165 0.177 . . 141 SER N 18092 1 123 . 1 1 143 143 LEU N N 15 11.472 0.105 0.000 0.000 . . 143 LEU N 18092 1 124 . 1 1 144 144 GLU N N 15 11.423 0.186 0.000 0.000 . . 144 GLU N 18092 1 125 . 1 1 145 145 HIS N N 15 10.727 0.618 0.000 0.000 . . 145 HIS N 18092 1 stop_ save_