data_11076 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11076 _Entry.Title ; NMR based model structure of mesoderm development (MESD) in solution. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-05 _Entry.Accession_date 2009-08-06 _Entry.Last_release_date 2011-06-03 _Entry.Original_release_date 2011-06-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 Christian Koehler . . . 11076 2 Janet Lighthouse . K. . 11076 3 Tobias Werther . . . 11076 4 Olav Andersen . M. . 11076 5 Annette Diehl . . . 11076 6 Peter Schmieder . . . 11076 7 Bernadette Holdener . C. . 11076 8 Hartmut Oschkinat . . . 11076 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chaperone . 11076 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11076 heteronucl_T1_relaxation 1 11076 heteronucl_T2_relaxation 1 11076 RDCs 1 11076 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 11076 '15N chemical shifts' 133 11076 '1H chemical shifts' 863 11076 'residual dipolar couplings' 36 11076 'T1 relaxation values' 94 11076 'T2 relaxation values' 94 11076 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 . . 2011-06-03 2009-08-05 original author . 11076 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I9S 'The solution structure of the core of mesoderm development (MESD)' 11076 PDB 2RQK 'BMRB Entry Tracking System' 11076 PDB 2RQM 'NMR Solution Structure of Mesoderm Development (MESD) - open conformation' 11076 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11076 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21397185 _Citation.Full_citation . _Citation.Title 'The structure of MESD45-184 brings light into the mechanism of LDLR family folding.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 19 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 337 _Citation.Page_last 348 _Citation.Year 2011 _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 Christian Kohler . . . 11076 1 2 Janet Lighthouse . K. . 11076 1 3 Tobias Werther . . . 11076 1 4 Olav Andersen . M. . 11076 1 5 Annette Diehl . . . 11076 1 6 Peter Schmieder . . . 11076 1 7 Jianguang Du . . . 11076 1 8 Bernadette Holdener . C. . 11076 1 9 Hartmut Oschkinat . . . 11076 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11076 _Assembly.ID 1 _Assembly.Name 'MESD core region' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16000 _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 'MESD polymer chain' 1 $MESD A . yes native no no . . . 11076 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MESD _Entity.Sf_category entity _Entity.Sf_framecode MESD _Entity.Entry_ID 11076 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MESD polymer chain' _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 ; GDIRDYNDADMARLLEQWEK DDDIEEGDLPEHKRPSAPID FSKLDPGKPESILKMTKKGK TLMMFVTVSGNPTEKETEEI TSLWQGSLFNANYDVQRFIV GSDRAIFMLRDGSYAWEIKD FLVSQDRCAEVTLEGQMYPG K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The conserved core region of mesoderm development (D45-K184). Flexible loop region (D71-K103) is ommitted. First Gly is a purification tag residual ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes "Entrez Gene" 67943 . "mesoderm development candidate 2" . . . . . . . . . . . . . . 11076 1 2 yes UNP Q9ERE7 . "mesoderm development candidate 2" . . . . . . . . . . . . . . 11076 1 3 no BMRB 16213 . MESD . . . . . 99.29 195 100.00 100.00 6.00e-98 . . . . 11076 1 4 no PDB 2I9S . "The Solution Structure Of The Core Of Mesoderm Development (Mesd)" . . . . . 68.09 97 100.00 100.00 3.92e-63 . . . . 11076 1 5 no PDB 2KGL . "Nmr Solution Structure Of Mesd" . . . . . 99.29 195 100.00 100.00 6.00e-98 . . . . 11076 1 6 no PDB 2KMI . "Mesd(12-155), The Core Structural Domain Of Mesd That Is Essential For Proper Folding Of Lrp56" . . . . . 99.29 145 100.00 100.00 7.63e-98 . . . . 11076 1 7 no PDB 2RQK . "Nmr Solution Structure Of Mesoderm Development (Mesd) - Closed Conformation" . . . . . 100.00 141 100.00 100.00 1.16e-98 . . . . 11076 1 8 no PDB 2RQM . "Nmr Solution Structure Of Mesoderm Development (Mesd) - Open Conformation" . . . . . 100.00 141 100.00 100.00 1.16e-98 . . . . 11076 1 9 no PDB 3OFH . "Structured Domain Of Mus Musculus Mesd" . . . . . 60.99 89 100.00 100.00 1.07e-55 . . . . 11076 1 10 no DBJ BAB25865 . "unnamed protein product [Mus musculus]" . . . . . 99.29 189 100.00 100.00 2.84e-97 . . . . 11076 1 11 no DBJ BAC27617 . "unnamed protein product [Mus musculus]" . . . . . 99.29 224 100.00 100.00 2.86e-97 . . . . 11076 1 12 no DBJ BAC36471 . "unnamed protein product [Mus musculus]" . . . . . 99.29 224 100.00 100.00 2.95e-97 . . . . 11076 1 13 no DBJ BAC36476 . "unnamed protein product [Mus musculus]" . . . . . 99.29 237 100.00 100.00 4.65e-97 . . . . 11076 1 14 no GB AAG33621 . "MESDC2 [Mus musculus]" . . . . . 99.29 224 100.00 100.00 2.95e-97 . . . . 11076 1 15 no GB AAH14742 . "Mesdc2 protein [Mus musculus]" . . . . . 92.91 171 100.00 100.00 9.65e-91 . . . . 11076 1 16 no GB AAH85892 . "Mesoderm development candidate 2 [Rattus norvegicus]" . . . . . 99.29 224 98.57 100.00 1.73e-96 . . . . 11076 1 17 no GB EDL06865 . "mesoderm development candiate 2, isoform CRA_a, partial [Mus musculus]" . . . . . 61.70 106 100.00 100.00 1.31e-56 . . . . 11076 1 18 no GB EDL06866 . "mesoderm development candiate 2, isoform CRA_b, partial [Mus musculus]" . . . . . 99.29 227 100.00 100.00 2.48e-97 . . . . 11076 1 19 no REF NP_001008346 . "LDLR chaperone MESD precursor [Rattus norvegicus]" . . . . . 99.29 224 98.57 100.00 1.73e-96 . . . . 11076 1 20 no REF NP_075892 . "LDLR chaperone MESD precursor [Mus musculus]" . . . . . 99.29 224 100.00 100.00 2.95e-97 . . . . 11076 1 21 no REF XP_001928898 . "PREDICTED: LDLR chaperone MESD [Sus scrofa]" . . . . . 99.29 232 97.14 100.00 1.00e-95 . . . . 11076 1 22 no REF XP_003511746 . "PREDICTED: LDLR chaperone MESD [Cricetulus griseus]" . . . . . 99.29 226 97.86 100.00 9.07e-96 . . . . 11076 1 23 no REF XP_004658300 . "PREDICTED: LDLR chaperone MESD [Jaculus jaculus]" . . . . . 99.29 228 97.14 99.29 4.46e-95 . . . . 11076 1 24 no SP Q5U2R7 . "RecName: Full=LDLR chaperone MESD; AltName: Full=Mesoderm development candidate 2; AltName: Full=Mesoderm development protein; " . . . . . 99.29 224 98.57 100.00 1.73e-96 . . . . 11076 1 25 no SP Q9ERE7 . "RecName: Full=LDLR chaperone MESD; AltName: Full=Mesoderm development candidate 2; AltName: Full=Mesoderm development protein; " . . . . . 99.29 224 100.00 100.00 2.95e-97 . . . . 11076 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11076 1 2 . ASP . 11076 1 3 . ILE . 11076 1 4 . ARG . 11076 1 5 . ASP . 11076 1 6 . TYR . 11076 1 7 . ASN . 11076 1 8 . ASP . 11076 1 9 . ALA . 11076 1 10 . ASP . 11076 1 11 . MET . 11076 1 12 . ALA . 11076 1 13 . ARG . 11076 1 14 . LEU . 11076 1 15 . LEU . 11076 1 16 . GLU . 11076 1 17 . GLN . 11076 1 18 . TRP . 11076 1 19 . GLU . 11076 1 20 . LYS . 11076 1 21 . ASP . 11076 1 22 . ASP . 11076 1 23 . ASP . 11076 1 24 . ILE . 11076 1 25 . GLU . 11076 1 26 . GLU . 11076 1 27 . GLY . 11076 1 28 . ASP . 11076 1 29 . LEU . 11076 1 30 . PRO . 11076 1 31 . GLU . 11076 1 32 . HIS . 11076 1 33 . LYS . 11076 1 34 . ARG . 11076 1 35 . PRO . 11076 1 36 . SER . 11076 1 37 . ALA . 11076 1 38 . PRO . 11076 1 39 . ILE . 11076 1 40 . ASP . 11076 1 41 . PHE . 11076 1 42 . SER . 11076 1 43 . LYS . 11076 1 44 . LEU . 11076 1 45 . ASP . 11076 1 46 . PRO . 11076 1 47 . GLY . 11076 1 48 . LYS . 11076 1 49 . PRO . 11076 1 50 . GLU . 11076 1 51 . SER . 11076 1 52 . ILE . 11076 1 53 . LEU . 11076 1 54 . LYS . 11076 1 55 . MET . 11076 1 56 . THR . 11076 1 57 . LYS . 11076 1 58 . LYS . 11076 1 59 . GLY . 11076 1 60 . LYS . 11076 1 61 . THR . 11076 1 62 . LEU . 11076 1 63 . MET . 11076 1 64 . MET . 11076 1 65 . PHE . 11076 1 66 . VAL . 11076 1 67 . THR . 11076 1 68 . VAL . 11076 1 69 . SER . 11076 1 70 . GLY . 11076 1 71 . ASN . 11076 1 72 . PRO . 11076 1 73 . THR . 11076 1 74 . GLU . 11076 1 75 . LYS . 11076 1 76 . GLU . 11076 1 77 . THR . 11076 1 78 . GLU . 11076 1 79 . GLU . 11076 1 80 . ILE . 11076 1 81 . THR . 11076 1 82 . SER . 11076 1 83 . LEU . 11076 1 84 . TRP . 11076 1 85 . GLN . 11076 1 86 . GLY . 11076 1 87 . SER . 11076 1 88 . LEU . 11076 1 89 . PHE . 11076 1 90 . ASN . 11076 1 91 . ALA . 11076 1 92 . ASN . 11076 1 93 . TYR . 11076 1 94 . ASP . 11076 1 95 . VAL . 11076 1 96 . GLN . 11076 1 97 . ARG . 11076 1 98 . PHE . 11076 1 99 . ILE . 11076 1 100 . VAL . 11076 1 101 . GLY . 11076 1 102 . SER . 11076 1 103 . ASP . 11076 1 104 . ARG . 11076 1 105 . ALA . 11076 1 106 . ILE . 11076 1 107 . PHE . 11076 1 108 . MET . 11076 1 109 . LEU . 11076 1 110 . ARG . 11076 1 111 . ASP . 11076 1 112 . GLY . 11076 1 113 . SER . 11076 1 114 . TYR . 11076 1 115 . ALA . 11076 1 116 . TRP . 11076 1 117 . GLU . 11076 1 118 . ILE . 11076 1 119 . LYS . 11076 1 120 . ASP . 11076 1 121 . PHE . 11076 1 122 . LEU . 11076 1 123 . VAL . 11076 1 124 . SER . 11076 1 125 . GLN . 11076 1 126 . ASP . 11076 1 127 . ARG . 11076 1 128 . CYS . 11076 1 129 . ALA . 11076 1 130 . GLU . 11076 1 131 . VAL . 11076 1 132 . THR . 11076 1 133 . LEU . 11076 1 134 . GLU . 11076 1 135 . GLY . 11076 1 136 . GLN . 11076 1 137 . MET . 11076 1 138 . TYR . 11076 1 139 . PRO . 11076 1 140 . GLY . 11076 1 141 . LYS . 11076 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11076 1 . ASP 2 2 11076 1 . ILE 3 3 11076 1 . ARG 4 4 11076 1 . ASP 5 5 11076 1 . TYR 6 6 11076 1 . ASN 7 7 11076 1 . ASP 8 8 11076 1 . ALA 9 9 11076 1 . ASP 10 10 11076 1 . MET 11 11 11076 1 . ALA 12 12 11076 1 . ARG 13 13 11076 1 . LEU 14 14 11076 1 . LEU 15 15 11076 1 . GLU 16 16 11076 1 . GLN 17 17 11076 1 . TRP 18 18 11076 1 . GLU 19 19 11076 1 . LYS 20 20 11076 1 . ASP 21 21 11076 1 . ASP 22 22 11076 1 . ASP 23 23 11076 1 . ILE 24 24 11076 1 . GLU 25 25 11076 1 . GLU 26 26 11076 1 . GLY 27 27 11076 1 . ASP 28 28 11076 1 . LEU 29 29 11076 1 . PRO 30 30 11076 1 . GLU 31 31 11076 1 . HIS 32 32 11076 1 . LYS 33 33 11076 1 . ARG 34 34 11076 1 . PRO 35 35 11076 1 . SER 36 36 11076 1 . ALA 37 37 11076 1 . PRO 38 38 11076 1 . ILE 39 39 11076 1 . ASP 40 40 11076 1 . PHE 41 41 11076 1 . SER 42 42 11076 1 . LYS 43 43 11076 1 . LEU 44 44 11076 1 . ASP 45 45 11076 1 . PRO 46 46 11076 1 . GLY 47 47 11076 1 . LYS 48 48 11076 1 . PRO 49 49 11076 1 . GLU 50 50 11076 1 . SER 51 51 11076 1 . ILE 52 52 11076 1 . LEU 53 53 11076 1 . LYS 54 54 11076 1 . MET 55 55 11076 1 . THR 56 56 11076 1 . LYS 57 57 11076 1 . LYS 58 58 11076 1 . GLY 59 59 11076 1 . LYS 60 60 11076 1 . THR 61 61 11076 1 . LEU 62 62 11076 1 . MET 63 63 11076 1 . MET 64 64 11076 1 . PHE 65 65 11076 1 . VAL 66 66 11076 1 . THR 67 67 11076 1 . VAL 68 68 11076 1 . SER 69 69 11076 1 . GLY 70 70 11076 1 . ASN 71 71 11076 1 . PRO 72 72 11076 1 . THR 73 73 11076 1 . GLU 74 74 11076 1 . LYS 75 75 11076 1 . GLU 76 76 11076 1 . THR 77 77 11076 1 . GLU 78 78 11076 1 . GLU 79 79 11076 1 . ILE 80 80 11076 1 . THR 81 81 11076 1 . SER 82 82 11076 1 . LEU 83 83 11076 1 . TRP 84 84 11076 1 . GLN 85 85 11076 1 . GLY 86 86 11076 1 . SER 87 87 11076 1 . LEU 88 88 11076 1 . PHE 89 89 11076 1 . ASN 90 90 11076 1 . ALA 91 91 11076 1 . ASN 92 92 11076 1 . TYR 93 93 11076 1 . ASP 94 94 11076 1 . VAL 95 95 11076 1 . GLN 96 96 11076 1 . ARG 97 97 11076 1 . PHE 98 98 11076 1 . ILE 99 99 11076 1 . VAL 100 100 11076 1 . GLY 101 101 11076 1 . SER 102 102 11076 1 . ASP 103 103 11076 1 . ARG 104 104 11076 1 . ALA 105 105 11076 1 . ILE 106 106 11076 1 . PHE 107 107 11076 1 . MET 108 108 11076 1 . LEU 109 109 11076 1 . ARG 110 110 11076 1 . ASP 111 111 11076 1 . GLY 112 112 11076 1 . SER 113 113 11076 1 . TYR 114 114 11076 1 . ALA 115 115 11076 1 . TRP 116 116 11076 1 . GLU 117 117 11076 1 . ILE 118 118 11076 1 . LYS 119 119 11076 1 . ASP 120 120 11076 1 . PHE 121 121 11076 1 . LEU 122 122 11076 1 . VAL 123 123 11076 1 . SER 124 124 11076 1 . GLN 125 125 11076 1 . ASP 126 126 11076 1 . ARG 127 127 11076 1 . CYS 128 128 11076 1 . ALA 129 129 11076 1 . GLU 130 130 11076 1 . VAL 131 131 11076 1 . THR 132 132 11076 1 . LEU 133 133 11076 1 . GLU 134 134 11076 1 . GLY 135 135 11076 1 . GLN 136 136 11076 1 . MET 137 137 11076 1 . TYR 138 138 11076 1 . PRO 139 139 11076 1 . GLY 140 140 11076 1 . LYS 141 141 11076 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 11076 _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 $MESD . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . MESDC2 . . . . 11076 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 11076 _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 $MESD . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . 'pET-30 Xa/LIC' . . . . . . 11076 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11076 _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 MESD '[U-100% 13C; U-100% 15N]' . . 1 $MESD . . 1 . . mM . . . . 11076 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11076 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11076 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11076 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11076 1 6 H2O . . . . . . . 90 . . % . . . . 11076 1 7 D2O . . . . . . . 10 . . % . . . . 11076 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11076 _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 MESD '[U-100% 13C; U-100% 15N]' . . 1 $MESD . . 1 . . mM . . . . 11076 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11076 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11076 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11076 2 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11076 2 6 D2O . . . . . . . 100 . . % . . . . 11076 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11076 _Sample.ID 3 _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 MESD '[U-100% 15N]' . . 1 $MESD . . 1 . . mM . . . . 11076 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11076 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11076 3 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11076 3 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11076 3 6 H2O . . . . . . . 90 . . % . . . . 11076 3 7 D2O . . . . . . . 10 . . % . . . . 11076 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11076 _Sample.ID 4 _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 MESD '[U-100% 15N]' . . 1 $MESD . . 1 . . mM . . . . 11076 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11076 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11076 4 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11076 4 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11076 4 6 D2O . . . . . . . 100 . . % . . . . 11076 4 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 11076 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 11076 1 pressure 1 . atm 11076 1 temperature 300 . K 11076 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11076 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11076 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11076 1 processing 11076 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11076 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11076 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11076 2 'peak picking' 11076 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11076 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11076 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11076 3 processing 11076 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11076 _Software.ID 4 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11076 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11076 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11076 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11076 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11076 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11076 _Software.ID 6 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11076 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11076 6 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 11076 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11076 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 11076 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 11076 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AV . 900 . . . 11076 1 2 spectrometer_2 Bruker DRX . 600 . . . 11076 1 3 spectrometer_3 Bruker DMX . 750 . . . 11076 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 11076 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC No.1' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11076 1 2 '2D 1H-15N HSQC No.2' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11076 1 5 '3D CBCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11076 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11076 1 7 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11076 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 10 '3D H(CCCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 11 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11076 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11076 1 14 '2D 1H-15N HSQC coupled' no 1 $2D_1H-15N_HSQC_coupled . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 15 '2D 1H-15N HSQC 15N_T1-edited' no 2 $2D_1H-15N_HSQC_15N_T1-edited . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 16 '2D 1H-15N HSQC 15N_T2-edited' no 3 $2D_1H-15N_HSQC_15N_T2-edited . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11076 1 stop_ save_ save_2D_1H-15N_HSQC_coupled _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_coupled _NMR_spec_expt.Entry_ID 11076 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC coupled' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'Pf1 phages as anisotropic medium' save_ save_2D_1H-15N_HSQC_15N_T1-edited _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_15N_T1-edited _NMR_spec_expt.Entry_ID 11076 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC 15N_T1-edited' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'T1-delay in ms: 12, 52, 102, 152, 202, 302, 402, 602, 902, 2002, 5002' save_ save_2D_1H-15N_HSQC_15N_T2-edited _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC_15N_T2-edited _NMR_spec_expt.Entry_ID 11076 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-15N HSQC 15N_T2-edited' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'T2-delay in ms: 6, 10, 18, 26, 34, 42, 82, 122, 162, 202, 242' 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 11076 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 11076 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 11076 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 11076 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 11076 _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 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11076 1 5 '3D CBCANNH' 1 $sample_1 isotropic 11076 1 6 '3D HNCO' 1 $sample_1 isotropic 11076 1 7 '3D HNCACO' 1 $sample_1 isotropic 11076 1 8 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11076 1 9 '3D HCCH-COSY' 2 $sample_2 isotropic 11076 1 10 '3D H(CCCO)NH-TOCSY' 1 $sample_1 isotropic 11076 1 11 '3D (H)CC(CO)NH-TOCSY' 1 $sample_1 isotropic 11076 1 12 '3D 1H-15N NOESY' 3 $sample_3 isotropic 11076 1 13 '3D 1H-13C NOESY' 2 $sample_2 isotropic 11076 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 11076 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.869 0.000 . 1 . . . . 1 GLY HA2 . 11076 1 2 . 1 1 1 1 GLY HA3 H 1 3.869 0.000 . 1 . . . . 1 GLY HA3 . 11076 1 3 . 1 1 1 1 GLY C C 13 177.154 0.000 . 1 . . . . 1 GLY C . 11076 1 4 . 1 1 1 1 GLY CA C 13 43.362 0.022 . 1 . . . . 1 GLY CA . 11076 1 5 . 1 1 2 2 ASP H H 1 8.657 0.003 . 1 . . . . 2 ASP H . 11076 1 6 . 1 1 2 2 ASP HA H 1 4.709 0.012 . 1 . . . . 2 ASP HA . 11076 1 7 . 1 1 2 2 ASP HB2 H 1 2.720 0.000 . 2 . . . . 2 ASP HB2 . 11076 1 8 . 1 1 2 2 ASP HB3 H 1 2.588 0.000 . 2 . . . . 2 ASP HB3 . 11076 1 9 . 1 1 2 2 ASP C C 13 176.296 0.000 . 1 . . . . 2 ASP C . 11076 1 10 . 1 1 2 2 ASP CA C 13 54.267 0.118 . 1 . . . . 2 ASP CA . 11076 1 11 . 1 1 2 2 ASP CB C 13 41.850 0.028 . 1 . . . . 2 ASP CB . 11076 1 12 . 1 1 2 2 ASP N N 15 120.900 0.016 . 1 . . . . 2 ASP N . 11076 1 13 . 1 1 3 3 ILE H H 1 8.310 0.006 . 1 . . . . 3 ILE H . 11076 1 14 . 1 1 3 3 ILE HA H 1 4.136 0.014 . 1 . . . . 3 ILE HA . 11076 1 15 . 1 1 3 3 ILE HB H 1 1.872 0.007 . 1 . . . . 3 ILE HB . 11076 1 16 . 1 1 3 3 ILE HD11 H 1 0.832 0.017 . 1 . . . . 3 ILE HD11 . 11076 1 17 . 1 1 3 3 ILE HD12 H 1 0.832 0.017 . 1 . . . . 3 ILE HD12 . 11076 1 18 . 1 1 3 3 ILE HD13 H 1 0.832 0.017 . 1 . . . . 3 ILE HD13 . 11076 1 19 . 1 1 3 3 ILE HG12 H 1 1.468 0.007 . 2 . . . . 3 ILE HG12 . 11076 1 20 . 1 1 3 3 ILE HG13 H 1 1.185 0.006 . 2 . . . . 3 ILE HG13 . 11076 1 21 . 1 1 3 3 ILE HG21 H 1 0.882 0.011 . 1 . . . . 3 ILE HG21 . 11076 1 22 . 1 1 3 3 ILE HG22 H 1 0.882 0.011 . 1 . . . . 3 ILE HG22 . 11076 1 23 . 1 1 3 3 ILE HG23 H 1 0.882 0.011 . 1 . . . . 3 ILE HG23 . 11076 1 24 . 1 1 3 3 ILE C C 13 176.267 0.013 . 1 . . . . 3 ILE C . 11076 1 25 . 1 1 3 3 ILE CA C 13 61.484 0.117 . 1 . . . . 3 ILE CA . 11076 1 26 . 1 1 3 3 ILE CB C 13 38.440 0.136 . 1 . . . . 3 ILE CB . 11076 1 27 . 1 1 3 3 ILE CD1 C 13 13.456 0.309 . 1 . . . . 3 ILE CD1 . 11076 1 28 . 1 1 3 3 ILE CG1 C 13 27.481 0.035 . 1 . . . . 3 ILE CG1 . 11076 1 29 . 1 1 3 3 ILE CG2 C 13 17.756 0.228 . 1 . . . . 3 ILE CG2 . 11076 1 30 . 1 1 3 3 ILE N N 15 121.698 0.015 . 1 . . . . 3 ILE N . 11076 1 31 . 1 1 4 4 ARG H H 1 8.440 0.009 . 1 . . . . 4 ARG H . 11076 1 32 . 1 1 4 4 ARG HA H 1 4.282 0.008 . 1 . . . . 4 ARG HA . 11076 1 33 . 1 1 4 4 ARG HB2 H 1 1.733 0.009 . 1 . . . . 4 ARG HB2 . 11076 1 34 . 1 1 4 4 ARG HB3 H 1 1.733 0.009 . 1 . . . . 4 ARG HB3 . 11076 1 35 . 1 1 4 4 ARG HD2 H 1 3.151 0.009 . 1 . . . . 4 ARG HD2 . 11076 1 36 . 1 1 4 4 ARG HD3 H 1 3.151 0.009 . 1 . . . . 4 ARG HD3 . 11076 1 37 . 1 1 4 4 ARG HG2 H 1 1.568 0.008 . 1 . . . . 4 ARG HG2 . 11076 1 38 . 1 1 4 4 ARG HG3 H 1 1.568 0.008 . 1 . . . . 4 ARG HG3 . 11076 1 39 . 1 1 4 4 ARG C C 13 175.778 0.001 . 1 . . . . 4 ARG C . 11076 1 40 . 1 1 4 4 ARG CA C 13 56.182 0.019 . 1 . . . . 4 ARG CA . 11076 1 41 . 1 1 4 4 ARG CB C 13 30.655 0.047 . 1 . . . . 4 ARG CB . 11076 1 42 . 1 1 4 4 ARG CD C 13 43.220 0.000 . 1 . . . . 4 ARG CD . 11076 1 43 . 1 1 4 4 ARG N N 15 124.408 0.000 . 1 . . . . 4 ARG N . 11076 1 44 . 1 1 5 5 ASP H H 1 8.193 0.008 . 1 . . . . 5 ASP H . 11076 1 45 . 1 1 5 5 ASP HA H 1 4.571 0.001 . 1 . . . . 5 ASP HA . 11076 1 46 . 1 1 5 5 ASP HB2 H 1 2.676 0.000 . 2 . . . . 5 ASP HB2 . 11076 1 47 . 1 1 5 5 ASP HB3 H 1 2.546 0.000 . 2 . . . . 5 ASP HB3 . 11076 1 48 . 1 1 5 5 ASP C C 13 176.117 0.000 . 1 . . . . 5 ASP C . 11076 1 49 . 1 1 5 5 ASP CA C 13 54.303 0.035 . 1 . . . . 5 ASP CA . 11076 1 50 . 1 1 5 5 ASP CB C 13 41.056 0.003 . 1 . . . . 5 ASP CB . 11076 1 51 . 1 1 5 5 ASP N N 15 120.703 0.010 . 1 . . . . 5 ASP N . 11076 1 52 . 1 1 6 6 TYR H H 1 7.985 0.010 . 1 . . . . 6 TYR H . 11076 1 53 . 1 1 6 6 TYR HA H 1 4.522 0.012 . 1 . . . . 6 TYR HA . 11076 1 54 . 1 1 6 6 TYR HB2 H 1 3.044 0.006 . 2 . . . . 6 TYR HB2 . 11076 1 55 . 1 1 6 6 TYR HB3 H 1 2.948 0.003 . 2 . . . . 6 TYR HB3 . 11076 1 56 . 1 1 6 6 TYR HD1 H 1 7.061 0.013 . 3 . . . . 6 TYR HD1 . 11076 1 57 . 1 1 6 6 TYR HD2 H 1 7.061 0.013 . 3 . . . . 6 TYR HD2 . 11076 1 58 . 1 1 6 6 TYR HE1 H 1 6.806 0.012 . 3 . . . . 6 TYR HE1 . 11076 1 59 . 1 1 6 6 TYR HE2 H 1 6.806 0.012 . 3 . . . . 6 TYR HE2 . 11076 1 60 . 1 1 6 6 TYR C C 13 175.969 0.385 . 1 . . . . 6 TYR C . 11076 1 61 . 1 1 6 6 TYR CA C 13 57.997 0.105 . 1 . . . . 6 TYR CA . 11076 1 62 . 1 1 6 6 TYR CB C 13 38.787 0.052 . 1 . . . . 6 TYR CB . 11076 1 63 . 1 1 6 6 TYR CD1 C 13 132.866 0.023 . 3 . . . . 6 TYR CD1 . 11076 1 64 . 1 1 6 6 TYR CD2 C 13 132.866 0.023 . 3 . . . . 6 TYR CD2 . 11076 1 65 . 1 1 6 6 TYR CE1 C 13 118.089 0.041 . 3 . . . . 6 TYR CE1 . 11076 1 66 . 1 1 6 6 TYR CE2 C 13 118.089 0.041 . 3 . . . . 6 TYR CE2 . 11076 1 67 . 1 1 6 6 TYR N N 15 120.286 0.158 . 1 . . . . 6 TYR N . 11076 1 68 . 1 1 7 7 ASN H H 1 8.461 0.006 . 1 . . . . 7 ASN H . 11076 1 69 . 1 1 7 7 ASN HA H 1 4.706 0.011 . 1 . . . . 7 ASN HA . 11076 1 70 . 1 1 7 7 ASN HB2 H 1 2.842 0.001 . 1 . . . . 7 ASN HB2 . 11076 1 71 . 1 1 7 7 ASN HB3 H 1 2.842 0.001 . 1 . . . . 7 ASN HB3 . 11076 1 72 . 1 1 7 7 ASN HD21 H 1 6.889 0.000 . 1 . . . . 7 ASN HD21 . 11076 1 73 . 1 1 7 7 ASN HD22 H 1 7.623 0.000 . 1 . . . . 7 ASN HD22 . 11076 1 74 . 1 1 7 7 ASN C C 13 175.131 0.000 . 1 . . . . 7 ASN C . 11076 1 75 . 1 1 7 7 ASN CA C 13 53.094 0.067 . 1 . . . . 7 ASN CA . 11076 1 76 . 1 1 7 7 ASN CB C 13 39.229 0.018 . 1 . . . . 7 ASN CB . 11076 1 77 . 1 1 7 7 ASN N N 15 120.401 0.022 . 1 . . . . 7 ASN N . 11076 1 78 . 1 1 7 7 ASN ND2 N 15 112.876 0.018 . 1 . . . . 7 ASN ND2 . 11076 1 79 . 1 1 8 8 ASP H H 1 8.270 0.008 . 1 . . . . 8 ASP H . 11076 1 80 . 1 1 8 8 ASP HA H 1 4.483 0.009 . 1 . . . . 8 ASP HA . 11076 1 81 . 1 1 8 8 ASP HB2 H 1 2.686 0.002 . 1 . . . . 8 ASP HB2 . 11076 1 82 . 1 1 8 8 ASP HB3 H 1 2.686 0.002 . 1 . . . . 8 ASP HB3 . 11076 1 83 . 1 1 8 8 ASP C C 13 176.825 0.015 . 1 . . . . 8 ASP C . 11076 1 84 . 1 1 8 8 ASP CA C 13 55.367 0.147 . 1 . . . . 8 ASP CA . 11076 1 85 . 1 1 8 8 ASP CB C 13 40.943 0.035 . 1 . . . . 8 ASP CB . 11076 1 86 . 1 1 8 8 ASP N N 15 121.032 0.012 . 1 . . . . 8 ASP N . 11076 1 87 . 1 1 9 9 ALA H H 1 8.262 0.008 . 1 . . . . 9 ALA H . 11076 1 88 . 1 1 9 9 ALA HA H 1 4.164 0.015 . 1 . . . . 9 ALA HA . 11076 1 89 . 1 1 9 9 ALA HB1 H 1 1.432 0.008 . 1 . . . . 9 ALA HB1 . 11076 1 90 . 1 1 9 9 ALA HB2 H 1 1.432 0.008 . 1 . . . . 9 ALA HB2 . 11076 1 91 . 1 1 9 9 ALA HB3 H 1 1.432 0.008 . 1 . . . . 9 ALA HB3 . 11076 1 92 . 1 1 9 9 ALA C C 13 178.786 0.019 . 1 . . . . 9 ALA C . 11076 1 93 . 1 1 9 9 ALA CA C 13 54.260 0.082 . 1 . . . . 9 ALA CA . 11076 1 94 . 1 1 9 9 ALA CB C 13 18.757 0.038 . 1 . . . . 9 ALA CB . 11076 1 95 . 1 1 9 9 ALA N N 15 123.981 0.035 . 1 . . . . 9 ALA N . 11076 1 96 . 1 1 10 10 ASP H H 1 8.215 0.008 . 1 . . . . 10 ASP H . 11076 1 97 . 1 1 10 10 ASP HA H 1 4.480 0.009 . 1 . . . . 10 ASP HA . 11076 1 98 . 1 1 10 10 ASP HB2 H 1 2.711 0.000 . 1 . . . . 10 ASP HB2 . 11076 1 99 . 1 1 10 10 ASP HB3 H 1 2.711 0.000 . 1 . . . . 10 ASP HB3 . 11076 1 100 . 1 1 10 10 ASP C C 13 178.192 0.013 . 1 . . . . 10 ASP C . 11076 1 101 . 1 1 10 10 ASP CA C 13 55.811 0.042 . 1 . . . . 10 ASP CA . 11076 1 102 . 1 1 10 10 ASP CB C 13 40.695 0.050 . 1 . . . . 10 ASP CB . 11076 1 103 . 1 1 10 10 ASP N N 15 118.950 0.043 . 1 . . . . 10 ASP N . 11076 1 104 . 1 1 11 11 MET H H 1 8.095 0.009 . 1 . . . . 11 MET H . 11076 1 105 . 1 1 11 11 MET HA H 1 3.969 0.010 . 1 . . . . 11 MET HA . 11076 1 106 . 1 1 11 11 MET HB2 H 1 1.795 0.001 . 1 . . . . 11 MET HB2 . 11076 1 107 . 1 1 11 11 MET HB3 H 1 1.795 0.001 . 1 . . . . 11 MET HB3 . 11076 1 108 . 1 1 11 11 MET HE1 H 1 1.884 0.015 . 1 . . . . 11 MET HE1 . 11076 1 109 . 1 1 11 11 MET HE2 H 1 1.884 0.015 . 1 . . . . 11 MET HE2 . 11076 1 110 . 1 1 11 11 MET HE3 H 1 1.884 0.015 . 1 . . . . 11 MET HE3 . 11076 1 111 . 1 1 11 11 MET HG2 H 1 2.151 0.000 . 1 . . . . 11 MET HG2 . 11076 1 112 . 1 1 11 11 MET HG3 H 1 2.151 0.000 . 1 . . . . 11 MET HG3 . 11076 1 113 . 1 1 11 11 MET C C 13 176.728 0.000 . 1 . . . . 11 MET C . 11076 1 114 . 1 1 11 11 MET CA C 13 57.661 0.012 . 1 . . . . 11 MET CA . 11076 1 115 . 1 1 11 11 MET CE C 13 17.465 0.027 . 1 . . . . 11 MET CE . 11076 1 116 . 1 1 11 11 MET N N 15 120.442 0.036 . 1 . . . . 11 MET N . 11076 1 117 . 1 1 12 12 ALA H H 1 8.066 0.011 . 1 . . . . 12 ALA H . 11076 1 118 . 1 1 12 12 ALA HA H 1 4.049 0.024 . 1 . . . . 12 ALA HA . 11076 1 119 . 1 1 12 12 ALA HB1 H 1 1.476 0.016 . 1 . . . . 12 ALA HB1 . 11076 1 120 . 1 1 12 12 ALA HB2 H 1 1.476 0.016 . 1 . . . . 12 ALA HB2 . 11076 1 121 . 1 1 12 12 ALA HB3 H 1 1.476 0.016 . 1 . . . . 12 ALA HB3 . 11076 1 122 . 1 1 12 12 ALA C C 13 179.908 0.034 . 1 . . . . 12 ALA C . 11076 1 123 . 1 1 12 12 ALA CA C 13 54.863 0.008 . 1 . . . . 12 ALA CA . 11076 1 124 . 1 1 12 12 ALA CB C 13 18.106 0.016 . 1 . . . . 12 ALA CB . 11076 1 125 . 1 1 12 12 ALA N N 15 121.232 0.007 . 1 . . . . 12 ALA N . 11076 1 126 . 1 1 13 13 ARG H H 1 7.760 0.012 . 1 . . . . 13 ARG H . 11076 1 127 . 1 1 13 13 ARG HA H 1 4.112 0.012 . 1 . . . . 13 ARG HA . 11076 1 128 . 1 1 13 13 ARG HB2 H 1 1.893 0.000 . 1 . . . . 13 ARG HB2 . 11076 1 129 . 1 1 13 13 ARG HB3 H 1 1.893 0.000 . 1 . . . . 13 ARG HB3 . 11076 1 130 . 1 1 13 13 ARG HD2 H 1 3.236 0.000 . 1 . . . . 13 ARG HD2 . 11076 1 131 . 1 1 13 13 ARG HD3 H 1 3.236 0.000 . 1 . . . . 13 ARG HD3 . 11076 1 132 . 1 1 13 13 ARG C C 13 178.530 0.021 . 1 . . . . 13 ARG C . 11076 1 133 . 1 1 13 13 ARG CA C 13 58.385 0.000 . 1 . . . . 13 ARG CA . 11076 1 134 . 1 1 13 13 ARG CB C 13 30.267 0.000 . 1 . . . . 13 ARG CB . 11076 1 135 . 1 1 13 13 ARG N N 15 117.725 0.033 . 1 . . . . 13 ARG N . 11076 1 136 . 1 1 14 14 LEU H H 1 8.353 0.013 . 1 . . . . 14 LEU H . 11076 1 137 . 1 1 14 14 LEU HA H 1 4.649 0.031 . 1 . . . . 14 LEU HA . 11076 1 138 . 1 1 14 14 LEU HB2 H 1 1.581 0.033 . 1 . . . . 14 LEU HB2 . 11076 1 139 . 1 1 14 14 LEU HB3 H 1 1.581 0.033 . 1 . . . . 14 LEU HB3 . 11076 1 140 . 1 1 14 14 LEU HD11 H 1 0.907 0.013 . 1 . . . . 14 LEU HD11 . 11076 1 141 . 1 1 14 14 LEU HD12 H 1 0.907 0.013 . 1 . . . . 14 LEU HD12 . 11076 1 142 . 1 1 14 14 LEU HD13 H 1 0.907 0.013 . 1 . . . . 14 LEU HD13 . 11076 1 143 . 1 1 14 14 LEU HD21 H 1 0.907 0.013 . 1 . . . . 14 LEU HD21 . 11076 1 144 . 1 1 14 14 LEU HD22 H 1 0.907 0.013 . 1 . . . . 14 LEU HD22 . 11076 1 145 . 1 1 14 14 LEU HD23 H 1 0.907 0.013 . 1 . . . . 14 LEU HD23 . 11076 1 146 . 1 1 14 14 LEU C C 13 178.745 0.063 . 1 . . . . 14 LEU C . 11076 1 147 . 1 1 14 14 LEU CA C 13 53.154 0.040 . 1 . . . . 14 LEU CA . 11076 1 148 . 1 1 14 14 LEU CB C 13 41.222 0.108 . 1 . . . . 14 LEU CB . 11076 1 149 . 1 1 14 14 LEU CD1 C 13 25.148 0.000 . 1 . . . . 14 LEU CD1 . 11076 1 150 . 1 1 14 14 LEU CD2 C 13 25.148 0.000 . 1 . . . . 14 LEU CD2 . 11076 1 151 . 1 1 14 14 LEU N N 15 122.350 0.024 . 1 . . . . 14 LEU N . 11076 1 152 . 1 1 15 15 LEU H H 1 8.430 0.035 . 1 . . . . 15 LEU H . 11076 1 153 . 1 1 15 15 LEU HA H 1 4.701 0.000 . 1 . . . . 15 LEU HA . 11076 1 154 . 1 1 15 15 LEU HD11 H 1 0.893 0.006 . 1 . . . . 15 LEU HD11 . 11076 1 155 . 1 1 15 15 LEU HD12 H 1 0.893 0.006 . 1 . . . . 15 LEU HD12 . 11076 1 156 . 1 1 15 15 LEU HD13 H 1 0.893 0.006 . 1 . . . . 15 LEU HD13 . 11076 1 157 . 1 1 15 15 LEU HD21 H 1 0.893 0.006 . 1 . . . . 15 LEU HD21 . 11076 1 158 . 1 1 15 15 LEU HD22 H 1 0.893 0.006 . 1 . . . . 15 LEU HD22 . 11076 1 159 . 1 1 15 15 LEU HD23 H 1 0.893 0.006 . 1 . . . . 15 LEU HD23 . 11076 1 160 . 1 1 15 15 LEU C C 13 177.366 0.000 . 1 . . . . 15 LEU C . 11076 1 161 . 1 1 15 15 LEU CA C 13 53.226 0.000 . 1 . . . . 15 LEU CA . 11076 1 162 . 1 1 15 15 LEU CB C 13 40.908 0.000 . 1 . . . . 15 LEU CB . 11076 1 163 . 1 1 15 15 LEU CD1 C 13 27.598 0.000 . 1 . . . . 15 LEU CD1 . 11076 1 164 . 1 1 15 15 LEU CD2 C 13 27.598 0.000 . 1 . . . . 15 LEU CD2 . 11076 1 165 . 1 1 15 15 LEU N N 15 123.091 0.022 . 1 . . . . 15 LEU N . 11076 1 166 . 1 1 16 16 GLU H H 1 8.086 0.016 . 1 . . . . 16 GLU H . 11076 1 167 . 1 1 16 16 GLU HA H 1 4.482 0.058 . 1 . . . . 16 GLU HA . 11076 1 168 . 1 1 16 16 GLU HB2 H 1 2.369 0.000 . 2 . . . . 16 GLU HB2 . 11076 1 169 . 1 1 16 16 GLU HB3 H 1 2.129 0.004 . 2 . . . . 16 GLU HB3 . 11076 1 170 . 1 1 16 16 GLU HG2 H 1 1.926 0.030 . 1 . . . . 16 GLU HG2 . 11076 1 171 . 1 1 16 16 GLU HG3 H 1 1.926 0.030 . 1 . . . . 16 GLU HG3 . 11076 1 172 . 1 1 16 16 GLU CB C 13 34.463 0.000 . 1 . . . . 16 GLU CB . 11076 1 173 . 1 1 16 16 GLU N N 15 121.085 0.073 . 1 . . . . 16 GLU N . 11076 1 174 . 1 1 18 18 TRP HA H 1 4.728 0.005 . 1 . . . . 18 TRP HA . 11076 1 175 . 1 1 18 18 TRP HB2 H 1 3.899 0.035 . 2 . . . . 18 TRP HB2 . 11076 1 176 . 1 1 18 18 TRP HB3 H 1 3.436 0.009 . 2 . . . . 18 TRP HB3 . 11076 1 177 . 1 1 18 18 TRP HD1 H 1 7.203 0.026 . 1 . . . . 18 TRP HD1 . 11076 1 178 . 1 1 18 18 TRP HE1 H 1 10.095 0.010 . 1 . . . . 18 TRP HE1 . 11076 1 179 . 1 1 18 18 TRP HE3 H 1 7.377 0.000 . 1 . . . . 18 TRP HE3 . 11076 1 180 . 1 1 18 18 TRP HH2 H 1 7.085 0.020 . 1 . . . . 18 TRP HH2 . 11076 1 181 . 1 1 18 18 TRP HZ2 H 1 7.385 0.019 . 1 . . . . 18 TRP HZ2 . 11076 1 182 . 1 1 18 18 TRP HZ3 H 1 7.252 0.018 . 1 . . . . 18 TRP HZ3 . 11076 1 183 . 1 1 18 18 TRP CB C 13 27.311 0.000 . 1 . . . . 18 TRP CB . 11076 1 184 . 1 1 18 18 TRP CD1 C 13 124.868 0.017 . 1 . . . . 18 TRP CD1 . 11076 1 185 . 1 1 18 18 TRP CH2 C 13 124.542 0.017 . 1 . . . . 18 TRP CH2 . 11076 1 186 . 1 1 18 18 TRP CZ2 C 13 113.907 0.000 . 1 . . . . 18 TRP CZ2 . 11076 1 187 . 1 1 18 18 TRP CZ3 C 13 120.545 0.002 . 1 . . . . 18 TRP CZ3 . 11076 1 188 . 1 1 18 18 TRP NE1 N 15 128.792 0.000 . 1 . . . . 18 TRP NE1 . 11076 1 189 . 1 1 20 20 LYS H H 1 7.808 0.000 . 1 . . . . 20 LYS H . 11076 1 190 . 1 1 20 20 LYS HA H 1 4.257 0.008 . 1 . . . . 20 LYS HA . 11076 1 191 . 1 1 20 20 LYS HB2 H 1 1.854 0.008 . 1 . . . . 20 LYS HB2 . 11076 1 192 . 1 1 20 20 LYS HB3 H 1 1.854 0.008 . 1 . . . . 20 LYS HB3 . 11076 1 193 . 1 1 20 20 LYS HD2 H 1 1.710 0.000 . 1 . . . . 20 LYS HD2 . 11076 1 194 . 1 1 20 20 LYS HD3 H 1 1.710 0.000 . 1 . . . . 20 LYS HD3 . 11076 1 195 . 1 1 20 20 LYS HE2 H 1 3.001 0.000 . 1 . . . . 20 LYS HE2 . 11076 1 196 . 1 1 20 20 LYS HE3 H 1 3.001 0.000 . 1 . . . . 20 LYS HE3 . 11076 1 197 . 1 1 20 20 LYS HG2 H 1 1.432 0.000 . 1 . . . . 20 LYS HG2 . 11076 1 198 . 1 1 20 20 LYS HG3 H 1 1.432 0.000 . 1 . . . . 20 LYS HG3 . 11076 1 199 . 1 1 20 20 LYS C C 13 176.755 0.000 . 1 . . . . 20 LYS C . 11076 1 200 . 1 1 20 20 LYS CA C 13 56.898 0.270 . 1 . . . . 20 LYS CA . 11076 1 201 . 1 1 20 20 LYS CB C 13 33.051 0.231 . 1 . . . . 20 LYS CB . 11076 1 202 . 1 1 20 20 LYS CD C 13 29.386 0.000 . 1 . . . . 20 LYS CD . 11076 1 203 . 1 1 20 20 LYS CE C 13 42.181 0.000 . 1 . . . . 20 LYS CE . 11076 1 204 . 1 1 20 20 LYS CG C 13 24.928 0.000 . 1 . . . . 20 LYS CG . 11076 1 205 . 1 1 20 20 LYS N N 15 120.421 0.000 . 1 . . . . 20 LYS N . 11076 1 206 . 1 1 21 21 ASP H H 1 8.283 0.015 . 1 . . . . 21 ASP H . 11076 1 207 . 1 1 21 21 ASP HA H 1 4.615 0.006 . 1 . . . . 21 ASP HA . 11076 1 208 . 1 1 21 21 ASP HB2 H 1 2.753 0.000 . 2 . . . . 21 ASP HB2 . 11076 1 209 . 1 1 21 21 ASP HB3 H 1 2.630 0.000 . 2 . . . . 21 ASP HB3 . 11076 1 210 . 1 1 21 21 ASP C C 13 176.192 0.031 . 1 . . . . 21 ASP C . 11076 1 211 . 1 1 21 21 ASP CA C 13 54.564 0.016 . 1 . . . . 21 ASP CA . 11076 1 212 . 1 1 21 21 ASP CB C 13 40.985 0.019 . 1 . . . . 21 ASP CB . 11076 1 213 . 1 1 21 21 ASP N N 15 121.239 0.027 . 1 . . . . 21 ASP N . 11076 1 214 . 1 1 22 22 ASP H H 1 8.233 0.019 . 1 . . . . 22 ASP H . 11076 1 215 . 1 1 22 22 ASP HA H 1 4.623 0.012 . 1 . . . . 22 ASP HA . 11076 1 216 . 1 1 22 22 ASP HB2 H 1 2.734 0.000 . 2 . . . . 22 ASP HB2 . 11076 1 217 . 1 1 22 22 ASP HB3 H 1 2.604 0.000 . 2 . . . . 22 ASP HB3 . 11076 1 218 . 1 1 22 22 ASP C C 13 175.976 0.000 . 1 . . . . 22 ASP C . 11076 1 219 . 1 1 22 22 ASP CA C 13 54.532 0.000 . 1 . . . . 22 ASP CA . 11076 1 220 . 1 1 22 22 ASP CB C 13 41.053 0.000 . 1 . . . . 22 ASP CB . 11076 1 221 . 1 1 22 22 ASP N N 15 120.363 0.099 . 1 . . . . 22 ASP N . 11076 1 222 . 1 1 23 23 ASP H H 1 8.280 0.016 . 1 . . . . 23 ASP H . 11076 1 223 . 1 1 23 23 ASP HA H 1 4.641 0.004 . 1 . . . . 23 ASP HA . 11076 1 224 . 1 1 23 23 ASP HB2 H 1 2.737 0.000 . 2 . . . . 23 ASP HB2 . 11076 1 225 . 1 1 23 23 ASP HB3 H 1 2.613 0.006 . 2 . . . . 23 ASP HB3 . 11076 1 226 . 1 1 23 23 ASP C C 13 176.091 0.000 . 1 . . . . 23 ASP C . 11076 1 227 . 1 1 23 23 ASP CA C 13 54.349 0.000 . 1 . . . . 23 ASP CA . 11076 1 228 . 1 1 23 23 ASP CB C 13 40.811 0.000 . 1 . . . . 23 ASP CB . 11076 1 229 . 1 1 23 23 ASP N N 15 120.324 0.000 . 1 . . . . 23 ASP N . 11076 1 230 . 1 1 24 24 ILE H H 1 7.977 0.008 . 1 . . . . 24 ILE H . 11076 1 231 . 1 1 24 24 ILE HA H 1 4.145 0.008 . 1 . . . . 24 ILE HA . 11076 1 232 . 1 1 24 24 ILE HB H 1 1.879 0.005 . 1 . . . . 24 ILE HB . 11076 1 233 . 1 1 24 24 ILE HD11 H 1 0.837 0.012 . 1 . . . . 24 ILE HD11 . 11076 1 234 . 1 1 24 24 ILE HD12 H 1 0.837 0.012 . 1 . . . . 24 ILE HD12 . 11076 1 235 . 1 1 24 24 ILE HD13 H 1 0.837 0.012 . 1 . . . . 24 ILE HD13 . 11076 1 236 . 1 1 24 24 ILE HG12 H 1 1.459 0.000 . 2 . . . . 24 ILE HG12 . 11076 1 237 . 1 1 24 24 ILE HG13 H 1 1.180 0.000 . 2 . . . . 24 ILE HG13 . 11076 1 238 . 1 1 24 24 ILE HG21 H 1 0.882 0.005 . 1 . . . . 24 ILE HG21 . 11076 1 239 . 1 1 24 24 ILE HG22 H 1 0.882 0.005 . 1 . . . . 24 ILE HG22 . 11076 1 240 . 1 1 24 24 ILE HG23 H 1 0.882 0.005 . 1 . . . . 24 ILE HG23 . 11076 1 241 . 1 1 24 24 ILE C C 13 176.328 0.000 . 1 . . . . 24 ILE C . 11076 1 242 . 1 1 24 24 ILE CA C 13 61.188 0.071 . 1 . . . . 24 ILE CA . 11076 1 243 . 1 1 24 24 ILE CB C 13 38.677 0.042 . 1 . . . . 24 ILE CB . 11076 1 244 . 1 1 24 24 ILE CD1 C 13 13.121 0.000 . 1 . . . . 24 ILE CD1 . 11076 1 245 . 1 1 24 24 ILE N N 15 120.539 0.009 . 1 . . . . 24 ILE N . 11076 1 246 . 1 1 25 25 GLU H H 1 8.476 0.008 . 1 . . . . 25 GLU H . 11076 1 247 . 1 1 25 25 GLU HA H 1 4.317 0.009 . 1 . . . . 25 GLU HA . 11076 1 248 . 1 1 25 25 GLU HB2 H 1 2.066 0.006 . 2 . . . . 25 GLU HB2 . 11076 1 249 . 1 1 25 25 GLU HB3 H 1 1.961 0.013 . 2 . . . . 25 GLU HB3 . 11076 1 250 . 1 1 25 25 GLU HG2 H 1 2.297 0.009 . 1 . . . . 25 GLU HG2 . 11076 1 251 . 1 1 25 25 GLU HG3 H 1 2.297 0.009 . 1 . . . . 25 GLU HG3 . 11076 1 252 . 1 1 25 25 GLU C C 13 176.519 0.016 . 1 . . . . 25 GLU C . 11076 1 253 . 1 1 25 25 GLU CA C 13 56.305 0.086 . 1 . . . . 25 GLU CA . 11076 1 254 . 1 1 25 25 GLU CB C 13 29.996 0.041 . 1 . . . . 25 GLU CB . 11076 1 255 . 1 1 25 25 GLU CG C 13 36.240 0.000 . 1 . . . . 25 GLU CG . 11076 1 256 . 1 1 25 25 GLU N N 15 124.806 0.026 . 1 . . . . 25 GLU N . 11076 1 257 . 1 1 26 26 GLU H H 1 8.465 0.013 . 1 . . . . 26 GLU H . 11076 1 258 . 1 1 26 26 GLU HA H 1 4.269 0.012 . 1 . . . . 26 GLU HA . 11076 1 259 . 1 1 26 26 GLU HB2 H 1 2.074 0.000 . 2 . . . . 26 GLU HB2 . 11076 1 260 . 1 1 26 26 GLU HB3 H 1 1.951 0.000 . 2 . . . . 26 GLU HB3 . 11076 1 261 . 1 1 26 26 GLU HG2 H 1 2.312 0.000 . 1 . . . . 26 GLU HG2 . 11076 1 262 . 1 1 26 26 GLU HG3 H 1 2.312 0.000 . 1 . . . . 26 GLU HG3 . 11076 1 263 . 1 1 26 26 GLU C C 13 177.064 0.019 . 1 . . . . 26 GLU C . 11076 1 264 . 1 1 26 26 GLU CA C 13 57.013 0.052 . 1 . . . . 26 GLU CA . 11076 1 265 . 1 1 26 26 GLU CB C 13 30.363 0.266 . 1 . . . . 26 GLU CB . 11076 1 266 . 1 1 26 26 GLU CG C 13 36.111 0.000 . 1 . . . . 26 GLU CG . 11076 1 267 . 1 1 26 26 GLU N N 15 122.150 0.005 . 1 . . . . 26 GLU N . 11076 1 268 . 1 1 27 27 GLY H H 1 8.418 0.007 . 1 . . . . 27 GLY H . 11076 1 269 . 1 1 27 27 GLY HA2 H 1 3.939 0.010 . 1 . . . . 27 GLY HA2 . 11076 1 270 . 1 1 27 27 GLY HA3 H 1 3.939 0.010 . 1 . . . . 27 GLY HA3 . 11076 1 271 . 1 1 27 27 GLY C C 13 173.767 0.007 . 1 . . . . 27 GLY C . 11076 1 272 . 1 1 27 27 GLY CA C 13 45.363 0.014 . 1 . . . . 27 GLY CA . 11076 1 273 . 1 1 27 27 GLY N N 15 109.313 0.018 . 1 . . . . 27 GLY N . 11076 1 274 . 1 1 28 28 ASP H H 1 8.235 0.004 . 1 . . . . 28 ASP H . 11076 1 275 . 1 1 28 28 ASP HA H 1 4.649 0.013 . 1 . . . . 28 ASP HA . 11076 1 276 . 1 1 28 28 ASP HB2 H 1 2.675 0.003 . 1 . . . . 28 ASP HB2 . 11076 1 277 . 1 1 28 28 ASP HB3 H 1 2.675 0.003 . 1 . . . . 28 ASP HB3 . 11076 1 278 . 1 1 28 28 ASP C C 13 175.969 0.007 . 1 . . . . 28 ASP C . 11076 1 279 . 1 1 28 28 ASP CA C 13 54.138 0.069 . 1 . . . . 28 ASP CA . 11076 1 280 . 1 1 28 28 ASP CB C 13 41.092 0.076 . 1 . . . . 28 ASP CB . 11076 1 281 . 1 1 28 28 ASP N N 15 119.900 0.015 . 1 . . . . 28 ASP N . 11076 1 282 . 1 1 29 29 LEU H H 1 8.095 0.007 . 1 . . . . 29 LEU H . 11076 1 283 . 1 1 29 29 LEU HA H 1 4.600 0.007 . 1 . . . . 29 LEU HA . 11076 1 284 . 1 1 29 29 LEU HB2 H 1 1.555 0.006 . 1 . . . . 29 LEU HB2 . 11076 1 285 . 1 1 29 29 LEU HB3 H 1 1.555 0.006 . 1 . . . . 29 LEU HB3 . 11076 1 286 . 1 1 29 29 LEU HD11 H 1 0.925 0.000 . 1 . . . . 29 LEU HD11 . 11076 1 287 . 1 1 29 29 LEU HD12 H 1 0.925 0.000 . 1 . . . . 29 LEU HD12 . 11076 1 288 . 1 1 29 29 LEU HD13 H 1 0.925 0.000 . 1 . . . . 29 LEU HD13 . 11076 1 289 . 1 1 29 29 LEU HD21 H 1 0.925 0.000 . 1 . . . . 29 LEU HD21 . 11076 1 290 . 1 1 29 29 LEU HD22 H 1 0.925 0.000 . 1 . . . . 29 LEU HD22 . 11076 1 291 . 1 1 29 29 LEU HD23 H 1 0.925 0.000 . 1 . . . . 29 LEU HD23 . 11076 1 292 . 1 1 29 29 LEU HG H 1 1.672 0.000 . 1 . . . . 29 LEU HG . 11076 1 293 . 1 1 29 29 LEU C C 13 175.700 0.000 . 1 . . . . 29 LEU C . 11076 1 294 . 1 1 29 29 LEU CA C 13 53.217 0.012 . 1 . . . . 29 LEU CA . 11076 1 295 . 1 1 29 29 LEU CB C 13 41.727 0.048 . 1 . . . . 29 LEU CB . 11076 1 296 . 1 1 29 29 LEU N N 15 122.808 0.026 . 1 . . . . 29 LEU N . 11076 1 297 . 1 1 30 30 PRO HA H 1 4.354 0.005 . 1 . . . . 30 PRO HA . 11076 1 298 . 1 1 30 30 PRO HB2 H 1 2.303 0.015 . 2 . . . . 30 PRO HB2 . 11076 1 299 . 1 1 30 30 PRO HB3 H 1 1.892 0.006 . 2 . . . . 30 PRO HB3 . 11076 1 300 . 1 1 30 30 PRO HD2 H 1 3.833 0.013 . 2 . . . . 30 PRO HD2 . 11076 1 301 . 1 1 30 30 PRO HD3 H 1 3.668 0.003 . 2 . . . . 30 PRO HD3 . 11076 1 302 . 1 1 30 30 PRO HG2 H 1 2.014 0.000 . 1 . . . . 30 PRO HG2 . 11076 1 303 . 1 1 30 30 PRO HG3 H 1 2.014 0.000 . 1 . . . . 30 PRO HG3 . 11076 1 304 . 1 1 30 30 PRO C C 13 177.426 0.000 . 1 . . . . 30 PRO C . 11076 1 305 . 1 1 30 30 PRO CA C 13 63.859 0.011 . 1 . . . . 30 PRO CA . 11076 1 306 . 1 1 30 30 PRO CB C 13 31.916 0.000 . 1 . . . . 30 PRO CB . 11076 1 307 . 1 1 30 30 PRO CD C 13 50.516 0.046 . 1 . . . . 30 PRO CD . 11076 1 308 . 1 1 30 30 PRO CG C 13 27.735 0.000 . 1 . . . . 30 PRO CG . 11076 1 309 . 1 1 31 31 GLU H H 1 8.560 0.012 . 1 . . . . 31 GLU H . 11076 1 310 . 1 1 31 31 GLU HA H 1 4.155 0.012 . 1 . . . . 31 GLU HA . 11076 1 311 . 1 1 31 31 GLU HB2 H 1 1.954 0.028 . 1 . . . . 31 GLU HB2 . 11076 1 312 . 1 1 31 31 GLU HB3 H 1 1.954 0.028 . 1 . . . . 31 GLU HB3 . 11076 1 313 . 1 1 31 31 GLU HG2 H 1 2.287 0.000 . 1 . . . . 31 GLU HG2 . 11076 1 314 . 1 1 31 31 GLU HG3 H 1 2.287 0.000 . 1 . . . . 31 GLU HG3 . 11076 1 315 . 1 1 31 31 GLU C C 13 176.502 0.005 . 1 . . . . 31 GLU C . 11076 1 316 . 1 1 31 31 GLU CA C 13 57.206 0.038 . 1 . . . . 31 GLU CA . 11076 1 317 . 1 1 31 31 GLU CB C 13 29.748 0.052 . 1 . . . . 31 GLU CB . 11076 1 318 . 1 1 31 31 GLU CG C 13 36.320 0.000 . 1 . . . . 31 GLU CG . 11076 1 319 . 1 1 31 31 GLU N N 15 118.576 0.007 . 1 . . . . 31 GLU N . 11076 1 320 . 1 1 32 32 HIS H H 1 8.309 0.008 . 1 . . . . 32 HIS H . 11076 1 321 . 1 1 32 32 HIS HA H 1 4.758 0.044 . 1 . . . . 32 HIS HA . 11076 1 322 . 1 1 32 32 HIS HB2 H 1 3.304 0.001 . 2 . . . . 32 HIS HB2 . 11076 1 323 . 1 1 32 32 HIS HB3 H 1 3.189 0.010 . 2 . . . . 32 HIS HB3 . 11076 1 324 . 1 1 32 32 HIS HE1 H 1 8.529 0.000 . 1 . . . . 32 HIS HE1 . 11076 1 325 . 1 1 32 32 HIS C C 13 174.349 0.007 . 1 . . . . 32 HIS C . 11076 1 326 . 1 1 32 32 HIS CA C 13 55.218 0.022 . 1 . . . . 32 HIS CA . 11076 1 327 . 1 1 32 32 HIS CB C 13 29.103 0.029 . 1 . . . . 32 HIS CB . 11076 1 328 . 1 1 32 32 HIS CE1 C 13 136.626 0.000 . 1 . . . . 32 HIS CE1 . 11076 1 329 . 1 1 32 32 HIS N N 15 118.180 0.035 . 1 . . . . 32 HIS N . 11076 1 330 . 1 1 33 33 LYS H H 1 8.173 0.010 . 1 . . . . 33 LYS H . 11076 1 331 . 1 1 33 33 LYS HA H 1 4.341 0.005 . 1 . . . . 33 LYS HA . 11076 1 332 . 1 1 33 33 LYS HB2 H 1 1.765 0.003 . 1 . . . . 33 LYS HB2 . 11076 1 333 . 1 1 33 33 LYS HB3 H 1 1.765 0.003 . 1 . . . . 33 LYS HB3 . 11076 1 334 . 1 1 33 33 LYS HD2 H 1 1.668 0.000 . 1 . . . . 33 LYS HD2 . 11076 1 335 . 1 1 33 33 LYS HD3 H 1 1.668 0.000 . 1 . . . . 33 LYS HD3 . 11076 1 336 . 1 1 33 33 LYS HE2 H 1 2.988 0.010 . 1 . . . . 33 LYS HE2 . 11076 1 337 . 1 1 33 33 LYS HE3 H 1 2.988 0.010 . 1 . . . . 33 LYS HE3 . 11076 1 338 . 1 1 33 33 LYS HG2 H 1 1.394 0.000 . 1 . . . . 33 LYS HG2 . 11076 1 339 . 1 1 33 33 LYS HG3 H 1 1.394 0.000 . 1 . . . . 33 LYS HG3 . 11076 1 340 . 1 1 33 33 LYS C C 13 176.178 0.011 . 1 . . . . 33 LYS C . 11076 1 341 . 1 1 33 33 LYS CA C 13 56.155 0.032 . 1 . . . . 33 LYS CA . 11076 1 342 . 1 1 33 33 LYS CB C 13 33.197 0.014 . 1 . . . . 33 LYS CB . 11076 1 343 . 1 1 33 33 LYS CD C 13 29.221 0.000 . 1 . . . . 33 LYS CD . 11076 1 344 . 1 1 33 33 LYS CE C 13 42.039 0.112 . 1 . . . . 33 LYS CE . 11076 1 345 . 1 1 33 33 LYS CG C 13 25.176 0.000 . 1 . . . . 33 LYS CG . 11076 1 346 . 1 1 33 33 LYS N N 15 122.022 0.036 . 1 . . . . 33 LYS N . 11076 1 347 . 1 1 34 34 ARG H H 1 8.402 0.011 . 1 . . . . 34 ARG H . 11076 1 348 . 1 1 34 34 ARG HA H 1 4.609 0.006 . 1 . . . . 34 ARG HA . 11076 1 349 . 1 1 34 34 ARG HB2 H 1 1.842 0.011 . 2 . . . . 34 ARG HB2 . 11076 1 350 . 1 1 34 34 ARG HB3 H 1 1.740 0.001 . 2 . . . . 34 ARG HB3 . 11076 1 351 . 1 1 34 34 ARG HD2 H 1 3.220 0.021 . 1 . . . . 34 ARG HD2 . 11076 1 352 . 1 1 34 34 ARG HD3 H 1 3.220 0.021 . 1 . . . . 34 ARG HD3 . 11076 1 353 . 1 1 34 34 ARG HG2 H 1 1.685 0.003 . 1 . . . . 34 ARG HG2 . 11076 1 354 . 1 1 34 34 ARG HG3 H 1 1.685 0.003 . 1 . . . . 34 ARG HG3 . 11076 1 355 . 1 1 34 34 ARG C C 13 174.293 0.000 . 1 . . . . 34 ARG C . 11076 1 356 . 1 1 34 34 ARG CA C 13 54.205 0.026 . 1 . . . . 34 ARG CA . 11076 1 357 . 1 1 34 34 ARG CB C 13 30.080 0.015 . 1 . . . . 34 ARG CB . 11076 1 358 . 1 1 34 34 ARG CD C 13 43.220 0.000 . 1 . . . . 34 ARG CD . 11076 1 359 . 1 1 34 34 ARG N N 15 123.661 0.022 . 1 . . . . 34 ARG N . 11076 1 360 . 1 1 35 35 PRO HA H 1 4.449 0.008 . 1 . . . . 35 PRO HA . 11076 1 361 . 1 1 35 35 PRO HB2 H 1 2.288 0.017 . 2 . . . . 35 PRO HB2 . 11076 1 362 . 1 1 35 35 PRO HB3 H 1 1.906 0.017 . 2 . . . . 35 PRO HB3 . 11076 1 363 . 1 1 35 35 PRO HD2 H 1 3.811 0.011 . 2 . . . . 35 PRO HD2 . 11076 1 364 . 1 1 35 35 PRO HD3 H 1 3.627 0.004 . 2 . . . . 35 PRO HD3 . 11076 1 365 . 1 1 35 35 PRO HG2 H 1 2.012 0.000 . 1 . . . . 35 PRO HG2 . 11076 1 366 . 1 1 35 35 PRO HG3 H 1 2.012 0.000 . 1 . . . . 35 PRO HG3 . 11076 1 367 . 1 1 35 35 PRO C C 13 176.709 0.000 . 1 . . . . 35 PRO C . 11076 1 368 . 1 1 35 35 PRO CA C 13 63.199 0.008 . 1 . . . . 35 PRO CA . 11076 1 369 . 1 1 35 35 PRO CB C 13 32.082 0.000 . 1 . . . . 35 PRO CB . 11076 1 370 . 1 1 35 35 PRO CD C 13 50.569 0.037 . 1 . . . . 35 PRO CD . 11076 1 371 . 1 1 35 35 PRO CG C 13 27.727 0.000 . 1 . . . . 35 PRO CG . 11076 1 372 . 1 1 36 36 SER H H 1 8.443 0.012 . 1 . . . . 36 SER H . 11076 1 373 . 1 1 36 36 SER HA H 1 4.418 0.009 . 1 . . . . 36 SER HA . 11076 1 374 . 1 1 36 36 SER HB2 H 1 3.858 0.002 . 1 . . . . 36 SER HB2 . 11076 1 375 . 1 1 36 36 SER HB3 H 1 3.858 0.002 . 1 . . . . 36 SER HB3 . 11076 1 376 . 1 1 36 36 SER C C 13 173.768 0.010 . 1 . . . . 36 SER C . 11076 1 377 . 1 1 36 36 SER CA C 13 58.331 0.067 . 1 . . . . 36 SER CA . 11076 1 378 . 1 1 36 36 SER CB C 13 63.933 0.036 . 1 . . . . 36 SER CB . 11076 1 379 . 1 1 36 36 SER N N 15 116.308 0.034 . 1 . . . . 36 SER N . 11076 1 380 . 1 1 37 37 ALA H H 1 8.264 0.008 . 1 . . . . 37 ALA H . 11076 1 381 . 1 1 37 37 ALA HA H 1 4.608 0.009 . 1 . . . . 37 ALA HA . 11076 1 382 . 1 1 37 37 ALA HB1 H 1 1.332 0.016 . 1 . . . . 37 ALA HB1 . 11076 1 383 . 1 1 37 37 ALA HB2 H 1 1.332 0.016 . 1 . . . . 37 ALA HB2 . 11076 1 384 . 1 1 37 37 ALA HB3 H 1 1.332 0.016 . 1 . . . . 37 ALA HB3 . 11076 1 385 . 1 1 37 37 ALA C C 13 175.388 0.000 . 1 . . . . 37 ALA C . 11076 1 386 . 1 1 37 37 ALA CA C 13 50.382 0.031 . 1 . . . . 37 ALA CA . 11076 1 387 . 1 1 37 37 ALA CB C 13 18.250 0.008 . 1 . . . . 37 ALA CB . 11076 1 388 . 1 1 37 37 ALA N N 15 126.743 0.061 . 1 . . . . 37 ALA N . 11076 1 389 . 1 1 38 38 PRO HA H 1 4.437 0.015 . 1 . . . . 38 PRO HA . 11076 1 390 . 1 1 38 38 PRO HB2 H 1 2.266 0.010 . 2 . . . . 38 PRO HB2 . 11076 1 391 . 1 1 38 38 PRO HB3 H 1 1.881 0.014 . 2 . . . . 38 PRO HB3 . 11076 1 392 . 1 1 38 38 PRO HD2 H 1 3.777 0.025 . 2 . . . . 38 PRO HD2 . 11076 1 393 . 1 1 38 38 PRO HD3 H 1 3.612 0.016 . 2 . . . . 38 PRO HD3 . 11076 1 394 . 1 1 38 38 PRO HG2 H 1 1.996 0.004 . 1 . . . . 38 PRO HG2 . 11076 1 395 . 1 1 38 38 PRO HG3 H 1 1.996 0.004 . 1 . . . . 38 PRO HG3 . 11076 1 396 . 1 1 38 38 PRO C C 13 176.763 0.000 . 1 . . . . 38 PRO C . 11076 1 397 . 1 1 38 38 PRO CA C 13 63.013 0.010 . 1 . . . . 38 PRO CA . 11076 1 398 . 1 1 38 38 PRO CB C 13 31.976 0.025 . 1 . . . . 38 PRO CB . 11076 1 399 . 1 1 38 38 PRO CD C 13 50.299 0.000 . 1 . . . . 38 PRO CD . 11076 1 400 . 1 1 38 38 PRO CG C 13 27.727 0.000 . 1 . . . . 38 PRO CG . 11076 1 401 . 1 1 39 39 ILE H H 1 8.115 0.011 . 1 . . . . 39 ILE H . 11076 1 402 . 1 1 39 39 ILE HA H 1 3.965 0.011 . 1 . . . . 39 ILE HA . 11076 1 403 . 1 1 39 39 ILE HB H 1 1.601 0.010 . 1 . . . . 39 ILE HB . 11076 1 404 . 1 1 39 39 ILE HD11 H 1 0.821 0.021 . 1 . . . . 39 ILE HD11 . 11076 1 405 . 1 1 39 39 ILE HD12 H 1 0.821 0.021 . 1 . . . . 39 ILE HD12 . 11076 1 406 . 1 1 39 39 ILE HD13 H 1 0.821 0.021 . 1 . . . . 39 ILE HD13 . 11076 1 407 . 1 1 39 39 ILE HG12 H 1 1.392 0.000 . 2 . . . . 39 ILE HG12 . 11076 1 408 . 1 1 39 39 ILE HG13 H 1 1.036 0.000 . 2 . . . . 39 ILE HG13 . 11076 1 409 . 1 1 39 39 ILE HG21 H 1 0.542 0.012 . 1 . . . . 39 ILE HG21 . 11076 1 410 . 1 1 39 39 ILE HG22 H 1 0.542 0.012 . 1 . . . . 39 ILE HG22 . 11076 1 411 . 1 1 39 39 ILE HG23 H 1 0.542 0.012 . 1 . . . . 39 ILE HG23 . 11076 1 412 . 1 1 39 39 ILE C C 13 175.266 0.002 . 1 . . . . 39 ILE C . 11076 1 413 . 1 1 39 39 ILE CA C 13 61.058 0.052 . 1 . . . . 39 ILE CA . 11076 1 414 . 1 1 39 39 ILE CB C 13 38.816 0.043 . 1 . . . . 39 ILE CB . 11076 1 415 . 1 1 39 39 ILE CD1 C 13 13.585 0.034 . 1 . . . . 39 ILE CD1 . 11076 1 416 . 1 1 39 39 ILE CG1 C 13 27.487 0.000 . 1 . . . . 39 ILE CG1 . 11076 1 417 . 1 1 39 39 ILE CG2 C 13 17.543 0.167 . 1 . . . . 39 ILE CG2 . 11076 1 418 . 1 1 39 39 ILE N N 15 120.958 0.006 . 1 . . . . 39 ILE N . 11076 1 419 . 1 1 40 40 ASP H H 1 8.193 0.011 . 1 . . . . 40 ASP H . 11076 1 420 . 1 1 40 40 ASP HA H 1 4.657 0.012 . 1 . . . . 40 ASP HA . 11076 1 421 . 1 1 40 40 ASP HB2 H 1 2.720 0.017 . 2 . . . . 40 ASP HB2 . 11076 1 422 . 1 1 40 40 ASP HB3 H 1 2.553 0.012 . 2 . . . . 40 ASP HB3 . 11076 1 423 . 1 1 40 40 ASP C C 13 176.571 0.009 . 1 . . . . 40 ASP C . 11076 1 424 . 1 1 40 40 ASP CA C 13 53.102 0.045 . 1 . . . . 40 ASP CA . 11076 1 425 . 1 1 40 40 ASP CB C 13 40.802 0.062 . 1 . . . . 40 ASP CB . 11076 1 426 . 1 1 40 40 ASP N N 15 124.015 0.028 . 1 . . . . 40 ASP N . 11076 1 427 . 1 1 41 41 PHE H H 1 8.437 0.013 . 1 . . . . 41 PHE H . 11076 1 428 . 1 1 41 41 PHE HA H 1 4.449 0.021 . 1 . . . . 41 PHE HA . 11076 1 429 . 1 1 41 41 PHE HB2 H 1 3.253 0.006 . 2 . . . . 41 PHE HB2 . 11076 1 430 . 1 1 41 41 PHE HB3 H 1 2.997 0.005 . 2 . . . . 41 PHE HB3 . 11076 1 431 . 1 1 41 41 PHE HD1 H 1 7.264 0.018 . 3 . . . . 41 PHE HD1 . 11076 1 432 . 1 1 41 41 PHE HD2 H 1 7.264 0.018 . 3 . . . . 41 PHE HD2 . 11076 1 433 . 1 1 41 41 PHE C C 13 176.655 0.000 . 1 . . . . 41 PHE C . 11076 1 434 . 1 1 41 41 PHE CA C 13 59.119 0.024 . 1 . . . . 41 PHE CA . 11076 1 435 . 1 1 41 41 PHE CB C 13 38.872 0.024 . 1 . . . . 41 PHE CB . 11076 1 436 . 1 1 41 41 PHE CD1 C 13 131.451 0.024 . 3 . . . . 41 PHE CD1 . 11076 1 437 . 1 1 41 41 PHE CD2 C 13 131.451 0.024 . 3 . . . . 41 PHE CD2 . 11076 1 438 . 1 1 41 41 PHE N N 15 123.468 0.039 . 1 . . . . 41 PHE N . 11076 1 439 . 1 1 42 42 SER H H 1 8.439 0.009 . 1 . . . . 42 SER H . 11076 1 440 . 1 1 42 42 SER HA H 1 4.331 0.014 . 1 . . . . 42 SER HA . 11076 1 441 . 1 1 42 42 SER HB2 H 1 3.927 0.026 . 1 . . . . 42 SER HB2 . 11076 1 442 . 1 1 42 42 SER HB3 H 1 3.927 0.026 . 1 . . . . 42 SER HB3 . 11076 1 443 . 1 1 42 42 SER C C 13 174.917 0.006 . 1 . . . . 42 SER C . 11076 1 444 . 1 1 42 42 SER CA C 13 60.014 0.106 . 1 . . . . 42 SER CA . 11076 1 445 . 1 1 42 42 SER CB C 13 63.598 0.012 . 1 . . . . 42 SER CB . 11076 1 446 . 1 1 42 42 SER N N 15 116.508 0.048 . 1 . . . . 42 SER N . 11076 1 447 . 1 1 43 43 LYS H H 1 7.764 0.006 . 1 . . . . 43 LYS H . 11076 1 448 . 1 1 43 43 LYS HA H 1 4.361 0.001 . 1 . . . . 43 LYS HA . 11076 1 449 . 1 1 43 43 LYS HB2 H 1 1.914 0.001 . 2 . . . . 43 LYS HB2 . 11076 1 450 . 1 1 43 43 LYS HB3 H 1 1.729 0.009 . 2 . . . . 43 LYS HB3 . 11076 1 451 . 1 1 43 43 LYS HD2 H 1 1.700 0.000 . 1 . . . . 43 LYS HD2 . 11076 1 452 . 1 1 43 43 LYS HD3 H 1 1.700 0.000 . 1 . . . . 43 LYS HD3 . 11076 1 453 . 1 1 43 43 LYS HE2 H 1 2.996 0.000 . 1 . . . . 43 LYS HE2 . 11076 1 454 . 1 1 43 43 LYS HE3 H 1 2.996 0.000 . 1 . . . . 43 LYS HE3 . 11076 1 455 . 1 1 43 43 LYS HG2 H 1 1.422 0.000 . 1 . . . . 43 LYS HG2 . 11076 1 456 . 1 1 43 43 LYS HG3 H 1 1.422 0.000 . 1 . . . . 43 LYS HG3 . 11076 1 457 . 1 1 43 43 LYS C C 13 176.313 0.012 . 1 . . . . 43 LYS C . 11076 1 458 . 1 1 43 43 LYS CA C 13 55.867 0.037 . 1 . . . . 43 LYS CA . 11076 1 459 . 1 1 43 43 LYS CB C 13 32.584 0.051 . 1 . . . . 43 LYS CB . 11076 1 460 . 1 1 43 43 LYS CD C 13 29.146 0.000 . 1 . . . . 43 LYS CD . 11076 1 461 . 1 1 43 43 LYS CE C 13 42.142 0.159 . 1 . . . . 43 LYS CE . 11076 1 462 . 1 1 43 43 LYS CG C 13 25.212 0.000 . 1 . . . . 43 LYS CG . 11076 1 463 . 1 1 43 43 LYS N N 15 121.203 0.027 . 1 . . . . 43 LYS N . 11076 1 464 . 1 1 44 44 LEU H H 1 7.707 0.026 . 1 . . . . 44 LEU H . 11076 1 465 . 1 1 44 44 LEU HA H 1 4.297 0.010 . 1 . . . . 44 LEU HA . 11076 1 466 . 1 1 44 44 LEU HB2 H 1 1.630 0.014 . 2 . . . . 44 LEU HB2 . 11076 1 467 . 1 1 44 44 LEU HB3 H 1 1.538 0.013 . 2 . . . . 44 LEU HB3 . 11076 1 468 . 1 1 44 44 LEU HD11 H 1 0.890 0.009 . 2 . . . . 44 LEU HD11 . 11076 1 469 . 1 1 44 44 LEU HD12 H 1 0.890 0.009 . 2 . . . . 44 LEU HD12 . 11076 1 470 . 1 1 44 44 LEU HD13 H 1 0.890 0.009 . 2 . . . . 44 LEU HD13 . 11076 1 471 . 1 1 44 44 LEU HD21 H 1 0.847 0.024 . 2 . . . . 44 LEU HD21 . 11076 1 472 . 1 1 44 44 LEU HD22 H 1 0.847 0.024 . 2 . . . . 44 LEU HD22 . 11076 1 473 . 1 1 44 44 LEU HD23 H 1 0.847 0.024 . 2 . . . . 44 LEU HD23 . 11076 1 474 . 1 1 44 44 LEU C C 13 176.387 0.000 . 1 . . . . 44 LEU C . 11076 1 475 . 1 1 44 44 LEU CA C 13 54.866 0.018 . 1 . . . . 44 LEU CA . 11076 1 476 . 1 1 44 44 LEU CB C 13 42.566 0.041 . 1 . . . . 44 LEU CB . 11076 1 477 . 1 1 44 44 LEU CD1 C 13 27.239 0.001 . 2 . . . . 44 LEU CD1 . 11076 1 478 . 1 1 44 44 LEU CD2 C 13 23.669 0.132 . 2 . . . . 44 LEU CD2 . 11076 1 479 . 1 1 44 44 LEU N N 15 121.536 0.035 . 1 . . . . 44 LEU N . 11076 1 480 . 1 1 45 45 ASP H H 1 8.311 0.010 . 1 . . . . 45 ASP H . 11076 1 481 . 1 1 45 45 ASP HA H 1 4.887 0.006 . 1 . . . . 45 ASP HA . 11076 1 482 . 1 1 45 45 ASP HB2 H 1 2.801 0.013 . 2 . . . . 45 ASP HB2 . 11076 1 483 . 1 1 45 45 ASP HB3 H 1 2.555 0.001 . 2 . . . . 45 ASP HB3 . 11076 1 484 . 1 1 45 45 ASP C C 13 174.872 0.000 . 1 . . . . 45 ASP C . 11076 1 485 . 1 1 45 45 ASP CA C 13 51.733 0.044 . 1 . . . . 45 ASP CA . 11076 1 486 . 1 1 45 45 ASP CB C 13 41.514 0.018 . 1 . . . . 45 ASP CB . 11076 1 487 . 1 1 45 45 ASP N N 15 122.736 0.025 . 1 . . . . 45 ASP N . 11076 1 488 . 1 1 46 46 PRO HA H 1 4.361 0.002 . 1 . . . . 46 PRO HA . 11076 1 489 . 1 1 46 46 PRO HB2 H 1 2.271 0.017 . 2 . . . . 46 PRO HB2 . 11076 1 490 . 1 1 46 46 PRO HB3 H 1 1.987 0.000 . 2 . . . . 46 PRO HB3 . 11076 1 491 . 1 1 46 46 PRO HD2 H 1 3.836 0.006 . 2 . . . . 46 PRO HD2 . 11076 1 492 . 1 1 46 46 PRO HD3 H 1 3.654 0.000 . 2 . . . . 46 PRO HD3 . 11076 1 493 . 1 1 46 46 PRO HG2 H 1 2.018 0.000 . 1 . . . . 46 PRO HG2 . 11076 1 494 . 1 1 46 46 PRO HG3 H 1 2.018 0.000 . 1 . . . . 46 PRO HG3 . 11076 1 495 . 1 1 46 46 PRO C C 13 177.384 0.000 . 1 . . . . 46 PRO C . 11076 1 496 . 1 1 46 46 PRO CA C 13 63.825 0.029 . 1 . . . . 46 PRO CA . 11076 1 497 . 1 1 46 46 PRO CB C 13 32.104 0.024 . 1 . . . . 46 PRO CB . 11076 1 498 . 1 1 46 46 PRO CD C 13 50.751 0.000 . 1 . . . . 46 PRO CD . 11076 1 499 . 1 1 46 46 PRO CG C 13 27.469 0.000 . 1 . . . . 46 PRO CG . 11076 1 500 . 1 1 47 47 GLY H H 1 8.546 0.013 . 1 . . . . 47 GLY H . 11076 1 501 . 1 1 47 47 GLY HA2 H 1 3.997 0.000 . 2 . . . . 47 GLY HA2 . 11076 1 502 . 1 1 47 47 GLY HA3 H 1 3.907 0.065 . 2 . . . . 47 GLY HA3 . 11076 1 503 . 1 1 47 47 GLY C C 13 174.087 0.006 . 1 . . . . 47 GLY C . 11076 1 504 . 1 1 47 47 GLY CA C 13 45.127 0.022 . 1 . . . . 47 GLY CA . 11076 1 505 . 1 1 47 47 GLY N N 15 107.661 0.017 . 1 . . . . 47 GLY N . 11076 1 506 . 1 1 48 48 LYS H H 1 7.816 0.014 . 1 . . . . 48 LYS H . 11076 1 507 . 1 1 48 48 LYS HA H 1 4.661 0.008 . 1 . . . . 48 LYS HA . 11076 1 508 . 1 1 48 48 LYS HB2 H 1 1.754 0.013 . 1 . . . . 48 LYS HB2 . 11076 1 509 . 1 1 48 48 LYS HB3 H 1 1.754 0.013 . 1 . . . . 48 LYS HB3 . 11076 1 510 . 1 1 48 48 LYS HD2 H 1 1.723 0.000 . 1 . . . . 48 LYS HD2 . 11076 1 511 . 1 1 48 48 LYS HD3 H 1 1.723 0.000 . 1 . . . . 48 LYS HD3 . 11076 1 512 . 1 1 48 48 LYS HE2 H 1 3.001 0.000 . 1 . . . . 48 LYS HE2 . 11076 1 513 . 1 1 48 48 LYS HE3 H 1 3.001 0.000 . 1 . . . . 48 LYS HE3 . 11076 1 514 . 1 1 48 48 LYS HG2 H 1 1.428 0.021 . 1 . . . . 48 LYS HG2 . 11076 1 515 . 1 1 48 48 LYS HG3 H 1 1.428 0.021 . 1 . . . . 48 LYS HG3 . 11076 1 516 . 1 1 48 48 LYS C C 13 174.727 0.000 . 1 . . . . 48 LYS C . 11076 1 517 . 1 1 48 48 LYS CA C 13 54.177 0.019 . 1 . . . . 48 LYS CA . 11076 1 518 . 1 1 48 48 LYS CB C 13 32.287 0.006 . 1 . . . . 48 LYS CB . 11076 1 519 . 1 1 48 48 LYS N N 15 121.173 0.024 . 1 . . . . 48 LYS N . 11076 1 520 . 1 1 49 49 PRO HA H 1 4.252 0.008 . 1 . . . . 49 PRO HA . 11076 1 521 . 1 1 49 49 PRO HB2 H 1 2.237 0.016 . 2 . . . . 49 PRO HB2 . 11076 1 522 . 1 1 49 49 PRO HB3 H 1 1.822 0.007 . 2 . . . . 49 PRO HB3 . 11076 1 523 . 1 1 49 49 PRO HD2 H 1 3.790 0.000 . 2 . . . . 49 PRO HD2 . 11076 1 524 . 1 1 49 49 PRO HD3 H 1 3.616 0.000 . 2 . . . . 49 PRO HD3 . 11076 1 525 . 1 1 49 49 PRO C C 13 177.606 0.000 . 1 . . . . 49 PRO C . 11076 1 526 . 1 1 49 49 PRO CA C 13 64.523 0.028 . 1 . . . . 49 PRO CA . 11076 1 527 . 1 1 49 49 PRO CB C 13 31.841 0.018 . 1 . . . . 49 PRO CB . 11076 1 528 . 1 1 49 49 PRO CD C 13 50.601 0.000 . 1 . . . . 49 PRO CD . 11076 1 529 . 1 1 49 49 PRO CG C 13 27.900 0.000 . 1 . . . . 49 PRO CG . 11076 1 530 . 1 1 50 50 GLU H H 1 8.906 0.010 . 1 . . . . 50 GLU H . 11076 1 531 . 1 1 50 50 GLU HA H 1 3.954 0.006 . 1 . . . . 50 GLU HA . 11076 1 532 . 1 1 50 50 GLU HB2 H 1 1.776 0.001 . 1 . . . . 50 GLU HB2 . 11076 1 533 . 1 1 50 50 GLU HB3 H 1 1.776 0.001 . 1 . . . . 50 GLU HB3 . 11076 1 534 . 1 1 50 50 GLU HG2 H 1 2.151 0.004 . 1 . . . . 50 GLU HG2 . 11076 1 535 . 1 1 50 50 GLU HG3 H 1 2.151 0.004 . 1 . . . . 50 GLU HG3 . 11076 1 536 . 1 1 50 50 GLU C C 13 177.314 0.004 . 1 . . . . 50 GLU C . 11076 1 537 . 1 1 50 50 GLU CA C 13 58.217 0.048 . 1 . . . . 50 GLU CA . 11076 1 538 . 1 1 50 50 GLU CB C 13 29.043 0.172 . 1 . . . . 50 GLU CB . 11076 1 539 . 1 1 50 50 GLU CG C 13 36.238 0.000 . 1 . . . . 50 GLU CG . 11076 1 540 . 1 1 50 50 GLU N N 15 119.060 0.042 . 1 . . . . 50 GLU N . 11076 1 541 . 1 1 51 51 SER H H 1 8.011 0.005 . 1 . . . . 51 SER H . 11076 1 542 . 1 1 51 51 SER HA H 1 4.331 0.000 . 1 . . . . 51 SER HA . 11076 1 543 . 1 1 51 51 SER HB2 H 1 3.908 0.000 . 1 . . . . 51 SER HB2 . 11076 1 544 . 1 1 51 51 SER HB3 H 1 3.908 0.000 . 1 . . . . 51 SER HB3 . 11076 1 545 . 1 1 51 51 SER C C 13 175.472 0.009 . 1 . . . . 51 SER C . 11076 1 546 . 1 1 51 51 SER CA C 13 59.805 0.075 . 1 . . . . 51 SER CA . 11076 1 547 . 1 1 51 51 SER CB C 13 63.341 0.089 . 1 . . . . 51 SER CB . 11076 1 548 . 1 1 51 51 SER N N 15 115.812 0.024 . 1 . . . . 51 SER N . 11076 1 549 . 1 1 52 52 ILE H H 1 7.811 0.012 . 1 . . . . 52 ILE H . 11076 1 550 . 1 1 52 52 ILE HA H 1 3.992 0.012 . 1 . . . . 52 ILE HA . 11076 1 551 . 1 1 52 52 ILE HB H 1 1.876 0.003 . 1 . . . . 52 ILE HB . 11076 1 552 . 1 1 52 52 ILE HD11 H 1 0.819 0.025 . 1 . . . . 52 ILE HD11 . 11076 1 553 . 1 1 52 52 ILE HD12 H 1 0.819 0.025 . 1 . . . . 52 ILE HD12 . 11076 1 554 . 1 1 52 52 ILE HD13 H 1 0.819 0.025 . 1 . . . . 52 ILE HD13 . 11076 1 555 . 1 1 52 52 ILE HG12 H 1 1.512 0.000 . 2 . . . . 52 ILE HG12 . 11076 1 556 . 1 1 52 52 ILE HG13 H 1 1.175 0.004 . 2 . . . . 52 ILE HG13 . 11076 1 557 . 1 1 52 52 ILE HG21 H 1 0.881 0.000 . 1 . . . . 52 ILE HG21 . 11076 1 558 . 1 1 52 52 ILE HG22 H 1 0.881 0.000 . 1 . . . . 52 ILE HG22 . 11076 1 559 . 1 1 52 52 ILE HG23 H 1 0.881 0.000 . 1 . . . . 52 ILE HG23 . 11076 1 560 . 1 1 52 52 ILE C C 13 177.601 0.015 . 1 . . . . 52 ILE C . 11076 1 561 . 1 1 52 52 ILE CA C 13 62.655 0.016 . 1 . . . . 52 ILE CA . 11076 1 562 . 1 1 52 52 ILE CB C 13 38.110 0.011 . 1 . . . . 52 ILE CB . 11076 1 563 . 1 1 52 52 ILE CD1 C 13 13.301 0.225 . 1 . . . . 52 ILE CD1 . 11076 1 564 . 1 1 52 52 ILE CG2 C 13 17.829 0.000 . 1 . . . . 52 ILE CG2 . 11076 1 565 . 1 1 52 52 ILE N N 15 121.722 0.015 . 1 . . . . 52 ILE N . 11076 1 566 . 1 1 53 53 LEU H H 1 7.967 0.016 . 1 . . . . 53 LEU H . 11076 1 567 . 1 1 53 53 LEU HA H 1 4.144 0.024 . 1 . . . . 53 LEU HA . 11076 1 568 . 1 1 53 53 LEU HB2 H 1 1.546 0.113 . 1 . . . . 53 LEU HB2 . 11076 1 569 . 1 1 53 53 LEU HB3 H 1 1.546 0.113 . 1 . . . . 53 LEU HB3 . 11076 1 570 . 1 1 53 53 LEU HD11 H 1 0.799 0.109 . 1 . . . . 53 LEU HD11 . 11076 1 571 . 1 1 53 53 LEU HD12 H 1 0.799 0.109 . 1 . . . . 53 LEU HD12 . 11076 1 572 . 1 1 53 53 LEU HD13 H 1 0.799 0.109 . 1 . . . . 53 LEU HD13 . 11076 1 573 . 1 1 53 53 LEU HD21 H 1 0.799 0.109 . 1 . . . . 53 LEU HD21 . 11076 1 574 . 1 1 53 53 LEU HD22 H 1 0.799 0.109 . 1 . . . . 53 LEU HD22 . 11076 1 575 . 1 1 53 53 LEU HD23 H 1 0.799 0.109 . 1 . . . . 53 LEU HD23 . 11076 1 576 . 1 1 53 53 LEU C C 13 178.108 0.035 . 1 . . . . 53 LEU C . 11076 1 577 . 1 1 53 53 LEU CA C 13 56.677 0.010 . 1 . . . . 53 LEU CA . 11076 1 578 . 1 1 53 53 LEU CB C 13 41.792 0.040 . 1 . . . . 53 LEU CB . 11076 1 579 . 1 1 53 53 LEU CD1 C 13 27.501 0.000 . 2 . . . . 53 LEU CD1 . 11076 1 580 . 1 1 53 53 LEU CD2 C 13 25.348 0.045 . 2 . . . . 53 LEU CD2 . 11076 1 581 . 1 1 53 53 LEU N N 15 122.790 0.000 . 1 . . . . 53 LEU N . 11076 1 582 . 1 1 54 54 LYS H H 1 7.891 0.015 . 1 . . . . 54 LYS H . 11076 1 583 . 1 1 54 54 LYS HA H 1 4.119 0.016 . 1 . . . . 54 LYS HA . 11076 1 584 . 1 1 54 54 LYS HB2 H 1 1.816 0.007 . 1 . . . . 54 LYS HB2 . 11076 1 585 . 1 1 54 54 LYS HB3 H 1 1.816 0.007 . 1 . . . . 54 LYS HB3 . 11076 1 586 . 1 1 54 54 LYS HD2 H 1 1.704 0.000 . 1 . . . . 54 LYS HD2 . 11076 1 587 . 1 1 54 54 LYS HD3 H 1 1.704 0.000 . 1 . . . . 54 LYS HD3 . 11076 1 588 . 1 1 54 54 LYS HE2 H 1 3.007 0.000 . 1 . . . . 54 LYS HE2 . 11076 1 589 . 1 1 54 54 LYS HE3 H 1 3.007 0.000 . 1 . . . . 54 LYS HE3 . 11076 1 590 . 1 1 54 54 LYS HG2 H 1 1.444 0.017 . 1 . . . . 54 LYS HG2 . 11076 1 591 . 1 1 54 54 LYS HG3 H 1 1.444 0.017 . 1 . . . . 54 LYS HG3 . 11076 1 592 . 1 1 54 54 LYS C C 13 177.231 0.018 . 1 . . . . 54 LYS C . 11076 1 593 . 1 1 54 54 LYS CA C 13 57.837 0.000 . 1 . . . . 54 LYS CA . 11076 1 594 . 1 1 54 54 LYS CB C 13 32.630 0.125 . 1 . . . . 54 LYS CB . 11076 1 595 . 1 1 54 54 LYS CD C 13 29.662 0.000 . 1 . . . . 54 LYS CD . 11076 1 596 . 1 1 54 54 LYS CE C 13 42.367 0.000 . 1 . . . . 54 LYS CE . 11076 1 597 . 1 1 54 54 LYS CG C 13 25.599 0.000 . 1 . . . . 54 LYS CG . 11076 1 598 . 1 1 54 54 LYS N N 15 119.093 0.021 . 1 . . . . 54 LYS N . 11076 1 599 . 1 1 55 55 MET H H 1 7.945 0.023 . 1 . . . . 55 MET H . 11076 1 600 . 1 1 55 55 MET HA H 1 4.073 0.022 . 1 . . . . 55 MET HA . 11076 1 601 . 1 1 55 55 MET HB2 H 1 1.745 0.024 . 1 . . . . 55 MET HB2 . 11076 1 602 . 1 1 55 55 MET HB3 H 1 1.745 0.024 . 1 . . . . 55 MET HB3 . 11076 1 603 . 1 1 55 55 MET HE1 H 1 1.877 0.010 . 1 . . . . 55 MET HE1 . 11076 1 604 . 1 1 55 55 MET HE2 H 1 1.877 0.010 . 1 . . . . 55 MET HE2 . 11076 1 605 . 1 1 55 55 MET HE3 H 1 1.877 0.010 . 1 . . . . 55 MET HE3 . 11076 1 606 . 1 1 55 55 MET HG2 H 1 2.314 0.010 . 1 . . . . 55 MET HG2 . 11076 1 607 . 1 1 55 55 MET HG3 H 1 2.314 0.010 . 1 . . . . 55 MET HG3 . 11076 1 608 . 1 1 55 55 MET CB C 13 34.553 0.012 . 1 . . . . 55 MET CB . 11076 1 609 . 1 1 55 55 MET CE C 13 17.441 0.000 . 1 . . . . 55 MET CE . 11076 1 610 . 1 1 55 55 MET N N 15 117.965 0.031 . 1 . . . . 55 MET N . 11076 1 611 . 1 1 58 58 LYS HB2 H 1 1.816 0.016 . 1 . . . . 58 LYS HB2 . 11076 1 612 . 1 1 58 58 LYS HB3 H 1 1.816 0.016 . 1 . . . . 58 LYS HB3 . 11076 1 613 . 1 1 58 58 LYS CB C 13 32.284 0.000 . 1 . . . . 58 LYS CB . 11076 1 614 . 1 1 59 59 GLY H H 1 8.687 0.000 . 1 . . . . 59 GLY H . 11076 1 615 . 1 1 59 59 GLY N N 15 112.563 0.000 . 1 . . . . 59 GLY N . 11076 1 616 . 1 1 60 60 LYS H H 1 7.886 0.009 . 1 . . . . 60 LYS H . 11076 1 617 . 1 1 60 60 LYS HA H 1 4.098 0.012 . 1 . . . . 60 LYS HA . 11076 1 618 . 1 1 60 60 LYS HB2 H 1 1.764 0.000 . 1 . . . . 60 LYS HB2 . 11076 1 619 . 1 1 60 60 LYS HB3 H 1 1.764 0.000 . 1 . . . . 60 LYS HB3 . 11076 1 620 . 1 1 60 60 LYS HE2 H 1 2.952 0.000 . 1 . . . . 60 LYS HE2 . 11076 1 621 . 1 1 60 60 LYS HE3 H 1 2.952 0.000 . 1 . . . . 60 LYS HE3 . 11076 1 622 . 1 1 60 60 LYS HG2 H 1 1.424 0.000 . 1 . . . . 60 LYS HG2 . 11076 1 623 . 1 1 60 60 LYS HG3 H 1 1.424 0.000 . 1 . . . . 60 LYS HG3 . 11076 1 624 . 1 1 60 60 LYS CA C 13 58.612 0.000 . 1 . . . . 60 LYS CA . 11076 1 625 . 1 1 60 60 LYS N N 15 118.499 0.000 . 1 . . . . 60 LYS N . 11076 1 626 . 1 1 62 62 LEU H H 1 8.377 0.016 . 1 . . . . 62 LEU H . 11076 1 627 . 1 1 62 62 LEU HA H 1 4.577 0.000 . 1 . . . . 62 LEU HA . 11076 1 628 . 1 1 62 62 LEU HB2 H 1 1.638 0.023 . 2 . . . . 62 LEU HB2 . 11076 1 629 . 1 1 62 62 LEU HB3 H 1 1.555 0.000 . 2 . . . . 62 LEU HB3 . 11076 1 630 . 1 1 62 62 LEU HD11 H 1 0.923 0.032 . 1 . . . . 62 LEU HD11 . 11076 1 631 . 1 1 62 62 LEU HD12 H 1 0.923 0.032 . 1 . . . . 62 LEU HD12 . 11076 1 632 . 1 1 62 62 LEU HD13 H 1 0.923 0.032 . 1 . . . . 62 LEU HD13 . 11076 1 633 . 1 1 62 62 LEU HD21 H 1 0.923 0.032 . 1 . . . . 62 LEU HD21 . 11076 1 634 . 1 1 62 62 LEU HD22 H 1 0.923 0.032 . 1 . . . . 62 LEU HD22 . 11076 1 635 . 1 1 62 62 LEU HD23 H 1 0.923 0.032 . 1 . . . . 62 LEU HD23 . 11076 1 636 . 1 1 62 62 LEU CA C 13 54.580 0.000 . 1 . . . . 62 LEU CA . 11076 1 637 . 1 1 62 62 LEU CB C 13 46.571 0.032 . 1 . . . . 62 LEU CB . 11076 1 638 . 1 1 62 62 LEU N N 15 125.057 0.018 . 1 . . . . 62 LEU N . 11076 1 639 . 1 1 63 63 MET H H 1 7.910 0.013 . 1 . . . . 63 MET H . 11076 1 640 . 1 1 63 63 MET HB2 H 1 2.099 0.020 . 1 . . . . 63 MET HB2 . 11076 1 641 . 1 1 63 63 MET HB3 H 1 2.099 0.020 . 1 . . . . 63 MET HB3 . 11076 1 642 . 1 1 63 63 MET HE1 H 1 1.898 0.051 . 1 . . . . 63 MET HE1 . 11076 1 643 . 1 1 63 63 MET HE2 H 1 1.898 0.051 . 1 . . . . 63 MET HE2 . 11076 1 644 . 1 1 63 63 MET HE3 H 1 1.898 0.051 . 1 . . . . 63 MET HE3 . 11076 1 645 . 1 1 63 63 MET HG2 H 1 2.388 0.000 . 1 . . . . 63 MET HG2 . 11076 1 646 . 1 1 63 63 MET HG3 H 1 2.388 0.000 . 1 . . . . 63 MET HG3 . 11076 1 647 . 1 1 63 63 MET CA C 13 54.473 0.000 . 1 . . . . 63 MET CA . 11076 1 648 . 1 1 63 63 MET CB C 13 35.499 0.013 . 1 . . . . 63 MET CB . 11076 1 649 . 1 1 63 63 MET CE C 13 17.338 0.096 . 1 . . . . 63 MET CE . 11076 1 650 . 1 1 63 63 MET N N 15 118.537 0.000 . 1 . . . . 63 MET N . 11076 1 651 . 1 1 64 64 MET H H 1 8.822 0.012 . 1 . . . . 64 MET H . 11076 1 652 . 1 1 64 64 MET HB2 H 1 2.006 0.005 . 1 . . . . 64 MET HB2 . 11076 1 653 . 1 1 64 64 MET HB3 H 1 2.006 0.005 . 1 . . . . 64 MET HB3 . 11076 1 654 . 1 1 64 64 MET HE1 H 1 1.872 0.006 . 1 . . . . 64 MET HE1 . 11076 1 655 . 1 1 64 64 MET HE2 H 1 1.872 0.006 . 1 . . . . 64 MET HE2 . 11076 1 656 . 1 1 64 64 MET HE3 H 1 1.872 0.006 . 1 . . . . 64 MET HE3 . 11076 1 657 . 1 1 64 64 MET HG2 H 1 2.217 0.000 . 1 . . . . 64 MET HG2 . 11076 1 658 . 1 1 64 64 MET HG3 H 1 2.217 0.000 . 1 . . . . 64 MET HG3 . 11076 1 659 . 1 1 64 64 MET CB C 13 36.623 0.015 . 1 . . . . 64 MET CB . 11076 1 660 . 1 1 64 64 MET CE C 13 17.481 0.000 . 1 . . . . 64 MET CE . 11076 1 661 . 1 1 64 64 MET N N 15 120.568 0.054 . 1 . . . . 64 MET N . 11076 1 662 . 1 1 65 65 PHE H H 1 8.729 0.011 . 1 . . . . 65 PHE H . 11076 1 663 . 1 1 65 65 PHE HB2 H 1 3.028 0.005 . 1 . . . . 65 PHE HB2 . 11076 1 664 . 1 1 65 65 PHE HB3 H 1 3.028 0.005 . 1 . . . . 65 PHE HB3 . 11076 1 665 . 1 1 65 65 PHE HD1 H 1 7.119 0.025 . 3 . . . . 65 PHE HD1 . 11076 1 666 . 1 1 65 65 PHE HD2 H 1 7.119 0.025 . 3 . . . . 65 PHE HD2 . 11076 1 667 . 1 1 65 65 PHE C C 13 175.459 0.000 . 1 . . . . 65 PHE C . 11076 1 668 . 1 1 65 65 PHE CA C 13 57.325 0.000 . 1 . . . . 65 PHE CA . 11076 1 669 . 1 1 65 65 PHE CB C 13 41.059 0.000 . 1 . . . . 65 PHE CB . 11076 1 670 . 1 1 65 65 PHE N N 15 123.259 0.046 . 1 . . . . 65 PHE N . 11076 1 671 . 1 1 66 66 VAL H H 1 9.407 0.010 . 1 . . . . 66 VAL H . 11076 1 672 . 1 1 66 66 VAL HA H 1 5.184 0.012 . 1 . . . . 66 VAL HA . 11076 1 673 . 1 1 66 66 VAL HB H 1 2.147 0.015 . 1 . . . . 66 VAL HB . 11076 1 674 . 1 1 66 66 VAL HG11 H 1 1.179 0.009 . 2 . . . . 66 VAL HG11 . 11076 1 675 . 1 1 66 66 VAL HG12 H 1 1.179 0.009 . 2 . . . . 66 VAL HG12 . 11076 1 676 . 1 1 66 66 VAL HG13 H 1 1.179 0.009 . 2 . . . . 66 VAL HG13 . 11076 1 677 . 1 1 66 66 VAL HG21 H 1 0.930 0.023 . 2 . . . . 66 VAL HG21 . 11076 1 678 . 1 1 66 66 VAL HG22 H 1 0.930 0.023 . 2 . . . . 66 VAL HG22 . 11076 1 679 . 1 1 66 66 VAL HG23 H 1 0.930 0.023 . 2 . . . . 66 VAL HG23 . 11076 1 680 . 1 1 66 66 VAL C C 13 174.079 0.000 . 1 . . . . 66 VAL C . 11076 1 681 . 1 1 66 66 VAL CA C 13 60.834 0.007 . 1 . . . . 66 VAL CA . 11076 1 682 . 1 1 66 66 VAL CB C 13 35.845 0.182 . 1 . . . . 66 VAL CB . 11076 1 683 . 1 1 66 66 VAL N N 15 122.661 0.017 . 1 . . . . 66 VAL N . 11076 1 684 . 1 1 67 67 THR H H 1 8.534 0.009 . 1 . . . . 67 THR H . 11076 1 685 . 1 1 67 67 THR HA H 1 5.458 0.009 . 1 . . . . 67 THR HA . 11076 1 686 . 1 1 67 67 THR HB H 1 4.015 0.015 . 1 . . . . 67 THR HB . 11076 1 687 . 1 1 67 67 THR HG21 H 1 1.238 0.023 . 1 . . . . 67 THR HG21 . 11076 1 688 . 1 1 67 67 THR HG22 H 1 1.238 0.023 . 1 . . . . 67 THR HG22 . 11076 1 689 . 1 1 67 67 THR HG23 H 1 1.238 0.023 . 1 . . . . 67 THR HG23 . 11076 1 690 . 1 1 67 67 THR C C 13 173.942 0.000 . 1 . . . . 67 THR C . 11076 1 691 . 1 1 67 67 THR CA C 13 61.057 0.040 . 1 . . . . 67 THR CA . 11076 1 692 . 1 1 67 67 THR CB C 13 70.726 0.009 . 1 . . . . 67 THR CB . 11076 1 693 . 1 1 67 67 THR N N 15 121.971 0.042 . 1 . . . . 67 THR N . 11076 1 694 . 1 1 68 68 VAL H H 1 9.091 0.008 . 1 . . . . 68 VAL H . 11076 1 695 . 1 1 68 68 VAL HA H 1 5.035 0.015 . 1 . . . . 68 VAL HA . 11076 1 696 . 1 1 68 68 VAL HB H 1 1.948 0.016 . 1 . . . . 68 VAL HB . 11076 1 697 . 1 1 68 68 VAL HG11 H 1 1.225 0.000 . 1 . . . . 68 VAL HG11 . 11076 1 698 . 1 1 68 68 VAL HG12 H 1 1.225 0.000 . 1 . . . . 68 VAL HG12 . 11076 1 699 . 1 1 68 68 VAL HG13 H 1 1.225 0.000 . 1 . . . . 68 VAL HG13 . 11076 1 700 . 1 1 68 68 VAL HG21 H 1 1.225 0.000 . 1 . . . . 68 VAL HG21 . 11076 1 701 . 1 1 68 68 VAL HG22 H 1 1.225 0.000 . 1 . . . . 68 VAL HG22 . 11076 1 702 . 1 1 68 68 VAL HG23 H 1 1.225 0.000 . 1 . . . . 68 VAL HG23 . 11076 1 703 . 1 1 68 68 VAL C C 13 175.747 0.000 . 1 . . . . 68 VAL C . 11076 1 704 . 1 1 68 68 VAL CA C 13 61.453 0.006 . 1 . . . . 68 VAL CA . 11076 1 705 . 1 1 68 68 VAL CB C 13 33.228 0.000 . 1 . . . . 68 VAL CB . 11076 1 706 . 1 1 68 68 VAL N N 15 130.071 0.021 . 1 . . . . 68 VAL N . 11076 1 707 . 1 1 69 69 SER H H 1 9.104 0.004 . 1 . . . . 69 SER H . 11076 1 708 . 1 1 69 69 SER HA H 1 4.399 0.007 . 1 . . . . 69 SER HA . 11076 1 709 . 1 1 69 69 SER HB2 H 1 3.678 0.029 . 1 . . . . 69 SER HB2 . 11076 1 710 . 1 1 69 69 SER HB3 H 1 3.678 0.029 . 1 . . . . 69 SER HB3 . 11076 1 711 . 1 1 69 69 SER C C 13 175.913 0.004 . 1 . . . . 69 SER C . 11076 1 712 . 1 1 69 69 SER CA C 13 58.326 0.130 . 1 . . . . 69 SER CA . 11076 1 713 . 1 1 69 69 SER CB C 13 65.183 0.020 . 1 . . . . 69 SER CB . 11076 1 714 . 1 1 69 69 SER N N 15 122.248 0.025 . 1 . . . . 69 SER N . 11076 1 715 . 1 1 70 70 GLY H H 1 8.942 0.006 . 1 . . . . 70 GLY H . 11076 1 716 . 1 1 70 70 GLY HA2 H 1 3.831 0.000 . 1 . . . . 70 GLY HA2 . 11076 1 717 . 1 1 70 70 GLY HA3 H 1 3.831 0.000 . 1 . . . . 70 GLY HA3 . 11076 1 718 . 1 1 70 70 GLY C C 13 174.305 0.000 . 1 . . . . 70 GLY C . 11076 1 719 . 1 1 70 70 GLY CA C 13 46.611 0.021 . 1 . . . . 70 GLY CA . 11076 1 720 . 1 1 70 70 GLY N N 15 107.891 0.016 . 1 . . . . 70 GLY N . 11076 1 721 . 1 1 71 71 ASN H H 1 8.974 0.003 . 1 . . . . 71 ASN H . 11076 1 722 . 1 1 71 71 ASN HA H 1 4.573 0.013 . 1 . . . . 71 ASN HA . 11076 1 723 . 1 1 71 71 ASN HB2 H 1 2.966 0.006 . 2 . . . . 71 ASN HB2 . 11076 1 724 . 1 1 71 71 ASN HB3 H 1 2.719 0.000 . 2 . . . . 71 ASN HB3 . 11076 1 725 . 1 1 71 71 ASN HD21 H 1 6.838 0.000 . 1 . . . . 71 ASN HD21 . 11076 1 726 . 1 1 71 71 ASN HD22 H 1 7.612 0.000 . 1 . . . . 71 ASN HD22 . 11076 1 727 . 1 1 71 71 ASN C C 13 171.886 0.000 . 1 . . . . 71 ASN C . 11076 1 728 . 1 1 71 71 ASN CA C 13 53.562 0.013 . 1 . . . . 71 ASN CA . 11076 1 729 . 1 1 71 71 ASN CB C 13 37.909 0.033 . 1 . . . . 71 ASN CB . 11076 1 730 . 1 1 71 71 ASN N N 15 116.909 0.031 . 1 . . . . 71 ASN N . 11076 1 731 . 1 1 71 71 ASN ND2 N 15 112.650 0.003 . 1 . . . . 71 ASN ND2 . 11076 1 732 . 1 1 72 72 PRO HA H 1 4.646 0.008 . 1 . . . . 72 PRO HA . 11076 1 733 . 1 1 72 72 PRO HB2 H 1 2.341 0.030 . 2 . . . . 72 PRO HB2 . 11076 1 734 . 1 1 72 72 PRO HB3 H 1 2.127 0.011 . 2 . . . . 72 PRO HB3 . 11076 1 735 . 1 1 72 72 PRO HD2 H 1 3.821 0.000 . 2 . . . . 72 PRO HD2 . 11076 1 736 . 1 1 72 72 PRO HD3 H 1 3.663 0.000 . 2 . . . . 72 PRO HD3 . 11076 1 737 . 1 1 72 72 PRO HG2 H 1 1.868 0.000 . 1 . . . . 72 PRO HG2 . 11076 1 738 . 1 1 72 72 PRO HG3 H 1 1.868 0.000 . 1 . . . . 72 PRO HG3 . 11076 1 739 . 1 1 72 72 PRO C C 13 177.636 0.000 . 1 . . . . 72 PRO C . 11076 1 740 . 1 1 72 72 PRO CA C 13 62.704 0.019 . 1 . . . . 72 PRO CA . 11076 1 741 . 1 1 72 72 PRO CB C 13 32.585 0.012 . 1 . . . . 72 PRO CB . 11076 1 742 . 1 1 73 73 THR H H 1 8.136 0.008 . 1 . . . . 73 THR H . 11076 1 743 . 1 1 73 73 THR HA H 1 4.525 0.012 . 1 . . . . 73 THR HA . 11076 1 744 . 1 1 73 73 THR HB H 1 4.700 0.016 . 1 . . . . 73 THR HB . 11076 1 745 . 1 1 73 73 THR HG21 H 1 1.401 0.000 . 1 . . . . 73 THR HG21 . 11076 1 746 . 1 1 73 73 THR HG22 H 1 1.401 0.000 . 1 . . . . 73 THR HG22 . 11076 1 747 . 1 1 73 73 THR HG23 H 1 1.401 0.000 . 1 . . . . 73 THR HG23 . 11076 1 748 . 1 1 73 73 THR C C 13 175.321 0.010 . 1 . . . . 73 THR C . 11076 1 749 . 1 1 73 73 THR CA C 13 60.537 0.060 . 1 . . . . 73 THR CA . 11076 1 750 . 1 1 73 73 THR CB C 13 71.260 0.116 . 1 . . . . 73 THR CB . 11076 1 751 . 1 1 73 73 THR CG2 C 13 21.999 0.000 . 1 . . . . 73 THR CG2 . 11076 1 752 . 1 1 73 73 THR N N 15 108.506 0.009 . 1 . . . . 73 THR N . 11076 1 753 . 1 1 74 74 GLU H H 1 9.024 0.007 . 1 . . . . 74 GLU H . 11076 1 754 . 1 1 74 74 GLU HA H 1 4.216 0.007 . 1 . . . . 74 GLU HA . 11076 1 755 . 1 1 74 74 GLU HB2 H 1 2.044 0.015 . 1 . . . . 74 GLU HB2 . 11076 1 756 . 1 1 74 74 GLU HB3 H 1 2.044 0.015 . 1 . . . . 74 GLU HB3 . 11076 1 757 . 1 1 74 74 GLU HG2 H 1 2.320 0.000 . 1 . . . . 74 GLU HG2 . 11076 1 758 . 1 1 74 74 GLU HG3 H 1 2.320 0.000 . 1 . . . . 74 GLU HG3 . 11076 1 759 . 1 1 74 74 GLU C C 13 178.536 0.018 . 1 . . . . 74 GLU C . 11076 1 760 . 1 1 74 74 GLU CA C 13 60.349 0.022 . 1 . . . . 74 GLU CA . 11076 1 761 . 1 1 74 74 GLU CB C 13 29.050 0.043 . 1 . . . . 74 GLU CB . 11076 1 762 . 1 1 74 74 GLU N N 15 121.034 0.021 . 1 . . . . 74 GLU N . 11076 1 763 . 1 1 75 75 LYS H H 1 7.999 0.004 . 1 . . . . 75 LYS H . 11076 1 764 . 1 1 75 75 LYS HA H 1 4.095 0.006 . 1 . . . . 75 LYS HA . 11076 1 765 . 1 1 75 75 LYS HB2 H 1 2.054 0.000 . 2 . . . . 75 LYS HB2 . 11076 1 766 . 1 1 75 75 LYS HB3 H 1 1.886 0.000 . 2 . . . . 75 LYS HB3 . 11076 1 767 . 1 1 75 75 LYS HD2 H 1 1.704 0.000 . 1 . . . . 75 LYS HD2 . 11076 1 768 . 1 1 75 75 LYS HD3 H 1 1.704 0.000 . 1 . . . . 75 LYS HD3 . 11076 1 769 . 1 1 75 75 LYS HE2 H 1 2.944 0.005 . 1 . . . . 75 LYS HE2 . 11076 1 770 . 1 1 75 75 LYS HE3 H 1 2.944 0.005 . 1 . . . . 75 LYS HE3 . 11076 1 771 . 1 1 75 75 LYS HG2 H 1 1.425 0.000 . 1 . . . . 75 LYS HG2 . 11076 1 772 . 1 1 75 75 LYS HG3 H 1 1.425 0.000 . 1 . . . . 75 LYS HG3 . 11076 1 773 . 1 1 75 75 LYS C C 13 179.034 0.018 . 1 . . . . 75 LYS C . 11076 1 774 . 1 1 75 75 LYS CA C 13 59.078 0.049 . 1 . . . . 75 LYS CA . 11076 1 775 . 1 1 75 75 LYS CB C 13 32.403 0.000 . 1 . . . . 75 LYS CB . 11076 1 776 . 1 1 75 75 LYS CE C 13 41.950 0.000 . 1 . . . . 75 LYS CE . 11076 1 777 . 1 1 75 75 LYS N N 15 117.799 0.026 . 1 . . . . 75 LYS N . 11076 1 778 . 1 1 76 76 GLU H H 1 7.697 0.010 . 1 . . . . 76 GLU H . 11076 1 779 . 1 1 76 76 GLU HA H 1 4.101 0.020 . 1 . . . . 76 GLU HA . 11076 1 780 . 1 1 76 76 GLU HB2 H 1 2.044 0.012 . 1 . . . . 76 GLU HB2 . 11076 1 781 . 1 1 76 76 GLU HB3 H 1 2.044 0.012 . 1 . . . . 76 GLU HB3 . 11076 1 782 . 1 1 76 76 GLU HG2 H 1 2.397 0.000 . 1 . . . . 76 GLU HG2 . 11076 1 783 . 1 1 76 76 GLU HG3 H 1 2.397 0.000 . 1 . . . . 76 GLU HG3 . 11076 1 784 . 1 1 76 76 GLU C C 13 178.901 0.000 . 1 . . . . 76 GLU C . 11076 1 785 . 1 1 76 76 GLU CA C 13 59.591 0.000 . 1 . . . . 76 GLU CA . 11076 1 786 . 1 1 76 76 GLU CB C 13 29.663 0.013 . 1 . . . . 76 GLU CB . 11076 1 787 . 1 1 76 76 GLU N N 15 121.496 0.021 . 1 . . . . 76 GLU N . 11076 1 788 . 1 1 77 77 THR H H 1 8.851 0.010 . 1 . . . . 77 THR H . 11076 1 789 . 1 1 77 77 THR HA H 1 3.634 0.000 . 1 . . . . 77 THR HA . 11076 1 790 . 1 1 77 77 THR HB H 1 4.265 0.000 . 1 . . . . 77 THR HB . 11076 1 791 . 1 1 77 77 THR HG21 H 1 0.952 0.001 . 1 . . . . 77 THR HG21 . 11076 1 792 . 1 1 77 77 THR HG22 H 1 0.952 0.001 . 1 . . . . 77 THR HG22 . 11076 1 793 . 1 1 77 77 THR HG23 H 1 0.952 0.001 . 1 . . . . 77 THR HG23 . 11076 1 794 . 1 1 77 77 THR C C 13 178.510 0.000 . 1 . . . . 77 THR C . 11076 1 795 . 1 1 77 77 THR CA C 13 67.384 0.000 . 1 . . . . 77 THR CA . 11076 1 796 . 1 1 77 77 THR CB C 13 67.248 0.013 . 1 . . . . 77 THR CB . 11076 1 797 . 1 1 77 77 THR N N 15 120.604 0.038 . 1 . . . . 77 THR N . 11076 1 798 . 1 1 78 78 GLU H H 1 8.833 0.005 . 1 . . . . 78 GLU H . 11076 1 799 . 1 1 78 78 GLU HA H 1 3.651 0.006 . 1 . . . . 78 GLU HA . 11076 1 800 . 1 1 78 78 GLU HB2 H 1 2.222 0.017 . 1 . . . . 78 GLU HB2 . 11076 1 801 . 1 1 78 78 GLU HB3 H 1 2.222 0.017 . 1 . . . . 78 GLU HB3 . 11076 1 802 . 1 1 78 78 GLU HG2 H 1 2.271 0.000 . 1 . . . . 78 GLU HG2 . 11076 1 803 . 1 1 78 78 GLU HG3 H 1 2.271 0.000 . 1 . . . . 78 GLU HG3 . 11076 1 804 . 1 1 78 78 GLU C C 13 177.452 0.012 . 1 . . . . 78 GLU C . 11076 1 805 . 1 1 78 78 GLU CA C 13 60.517 0.061 . 1 . . . . 78 GLU CA . 11076 1 806 . 1 1 78 78 GLU CB C 13 28.812 0.031 . 1 . . . . 78 GLU CB . 11076 1 807 . 1 1 78 78 GLU N N 15 126.055 0.050 . 1 . . . . 78 GLU N . 11076 1 808 . 1 1 79 79 GLU H H 1 7.938 0.007 . 1 . . . . 79 GLU H . 11076 1 809 . 1 1 79 79 GLU HA H 1 3.953 0.008 . 1 . . . . 79 GLU HA . 11076 1 810 . 1 1 79 79 GLU HB2 H 1 2.205 0.003 . 2 . . . . 79 GLU HB2 . 11076 1 811 . 1 1 79 79 GLU HB3 H 1 2.089 0.004 . 2 . . . . 79 GLU HB3 . 11076 1 812 . 1 1 79 79 GLU HG2 H 1 2.465 0.003 . 1 . . . . 79 GLU HG2 . 11076 1 813 . 1 1 79 79 GLU HG3 H 1 2.465 0.003 . 1 . . . . 79 GLU HG3 . 11076 1 814 . 1 1 79 79 GLU C C 13 179.452 0.016 . 1 . . . . 79 GLU C . 11076 1 815 . 1 1 79 79 GLU CA C 13 59.746 0.043 . 1 . . . . 79 GLU CA . 11076 1 816 . 1 1 79 79 GLU CB C 13 29.686 0.010 . 1 . . . . 79 GLU CB . 11076 1 817 . 1 1 79 79 GLU N N 15 120.414 0.024 . 1 . . . . 79 GLU N . 11076 1 818 . 1 1 80 80 ILE H H 1 8.826 0.005 . 1 . . . . 80 ILE H . 11076 1 819 . 1 1 80 80 ILE HA H 1 3.402 0.014 . 1 . . . . 80 ILE HA . 11076 1 820 . 1 1 80 80 ILE HB H 1 1.320 0.009 . 1 . . . . 80 ILE HB . 11076 1 821 . 1 1 80 80 ILE HD11 H 1 0.715 0.004 . 1 . . . . 80 ILE HD11 . 11076 1 822 . 1 1 80 80 ILE HD12 H 1 0.715 0.004 . 1 . . . . 80 ILE HD12 . 11076 1 823 . 1 1 80 80 ILE HD13 H 1 0.715 0.004 . 1 . . . . 80 ILE HD13 . 11076 1 824 . 1 1 80 80 ILE HG12 H 1 1.646 0.000 . 2 . . . . 80 ILE HG12 . 11076 1 825 . 1 1 80 80 ILE HG13 H 1 0.899 0.000 . 2 . . . . 80 ILE HG13 . 11076 1 826 . 1 1 80 80 ILE HG21 H 1 -0.065 0.006 . 1 . . . . 80 ILE HG21 . 11076 1 827 . 1 1 80 80 ILE HG22 H 1 -0.065 0.006 . 1 . . . . 80 ILE HG22 . 11076 1 828 . 1 1 80 80 ILE HG23 H 1 -0.065 0.006 . 1 . . . . 80 ILE HG23 . 11076 1 829 . 1 1 80 80 ILE C C 13 177.621 0.000 . 1 . . . . 80 ILE C . 11076 1 830 . 1 1 80 80 ILE CA C 13 65.076 0.025 . 1 . . . . 80 ILE CA . 11076 1 831 . 1 1 80 80 ILE CB C 13 39.006 0.080 . 1 . . . . 80 ILE CB . 11076 1 832 . 1 1 80 80 ILE CD1 C 13 14.024 0.000 . 1 . . . . 80 ILE CD1 . 11076 1 833 . 1 1 80 80 ILE CG2 C 13 17.045 0.023 . 1 . . . . 80 ILE CG2 . 11076 1 834 . 1 1 80 80 ILE N N 15 120.469 0.000 . 1 . . . . 80 ILE N . 11076 1 835 . 1 1 81 81 THR H H 1 7.861 0.007 . 1 . . . . 81 THR H . 11076 1 836 . 1 1 81 81 THR HA H 1 3.709 0.003 . 1 . . . . 81 THR HA . 11076 1 837 . 1 1 81 81 THR HB H 1 4.146 0.012 . 1 . . . . 81 THR HB . 11076 1 838 . 1 1 81 81 THR HG21 H 1 1.114 0.018 . 1 . . . . 81 THR HG21 . 11076 1 839 . 1 1 81 81 THR HG22 H 1 1.114 0.018 . 1 . . . . 81 THR HG22 . 11076 1 840 . 1 1 81 81 THR HG23 H 1 1.114 0.018 . 1 . . . . 81 THR HG23 . 11076 1 841 . 1 1 81 81 THR C C 13 177.857 0.000 . 1 . . . . 81 THR C . 11076 1 842 . 1 1 81 81 THR CA C 13 65.221 0.033 . 1 . . . . 81 THR CA . 11076 1 843 . 1 1 81 81 THR CB C 13 69.639 0.000 . 1 . . . . 81 THR CB . 11076 1 844 . 1 1 81 81 THR CG2 C 13 21.086 0.000 . 1 . . . . 81 THR CG2 . 11076 1 845 . 1 1 81 81 THR N N 15 105.661 0.009 . 1 . . . . 81 THR N . 11076 1 846 . 1 1 82 82 SER H H 1 7.949 0.007 . 1 . . . . 82 SER H . 11076 1 847 . 1 1 82 82 SER HA H 1 4.158 0.000 . 1 . . . . 82 SER HA . 11076 1 848 . 1 1 82 82 SER HB2 H 1 4.085 0.000 . 1 . . . . 82 SER HB2 . 11076 1 849 . 1 1 82 82 SER HB3 H 1 4.085 0.000 . 1 . . . . 82 SER HB3 . 11076 1 850 . 1 1 82 82 SER C C 13 177.634 0.000 . 1 . . . . 82 SER C . 11076 1 851 . 1 1 82 82 SER CA C 13 61.965 0.000 . 1 . . . . 82 SER CA . 11076 1 852 . 1 1 82 82 SER CB C 13 62.624 0.000 . 1 . . . . 82 SER CB . 11076 1 853 . 1 1 82 82 SER N N 15 119.924 0.000 . 1 . . . . 82 SER N . 11076 1 854 . 1 1 83 83 LEU H H 1 7.521 0.013 . 1 . . . . 83 LEU H . 11076 1 855 . 1 1 83 83 LEU HA H 1 4.307 0.010 . 1 . . . . 83 LEU HA . 11076 1 856 . 1 1 83 83 LEU HB2 H 1 1.968 0.011 . 2 . . . . 83 LEU HB2 . 11076 1 857 . 1 1 83 83 LEU HB3 H 1 1.840 0.016 . 2 . . . . 83 LEU HB3 . 11076 1 858 . 1 1 83 83 LEU HD11 H 1 1.003 0.004 . 1 . . . . 83 LEU HD11 . 11076 1 859 . 1 1 83 83 LEU HD12 H 1 1.003 0.004 . 1 . . . . 83 LEU HD12 . 11076 1 860 . 1 1 83 83 LEU HD13 H 1 1.003 0.004 . 1 . . . . 83 LEU HD13 . 11076 1 861 . 1 1 83 83 LEU HD21 H 1 1.003 0.004 . 1 . . . . 83 LEU HD21 . 11076 1 862 . 1 1 83 83 LEU HD22 H 1 1.003 0.004 . 1 . . . . 83 LEU HD22 . 11076 1 863 . 1 1 83 83 LEU HD23 H 1 1.003 0.004 . 1 . . . . 83 LEU HD23 . 11076 1 864 . 1 1 83 83 LEU C C 13 180.855 0.021 . 1 . . . . 83 LEU C . 11076 1 865 . 1 1 83 83 LEU CA C 13 58.383 0.106 . 1 . . . . 83 LEU CA . 11076 1 866 . 1 1 83 83 LEU CB C 13 40.749 0.054 . 1 . . . . 83 LEU CB . 11076 1 867 . 1 1 83 83 LEU N N 15 125.547 0.017 . 1 . . . . 83 LEU N . 11076 1 868 . 1 1 84 84 TRP H H 1 7.824 0.011 . 1 . . . . 84 TRP H . 11076 1 869 . 1 1 84 84 TRP HA H 1 4.908 0.006 . 1 . . . . 84 TRP HA . 11076 1 870 . 1 1 84 84 TRP HB2 H 1 3.770 0.011 . 1 . . . . 84 TRP HB2 . 11076 1 871 . 1 1 84 84 TRP HB3 H 1 3.770 0.011 . 1 . . . . 84 TRP HB3 . 11076 1 872 . 1 1 84 84 TRP HD1 H 1 7.323 0.008 . 1 . . . . 84 TRP HD1 . 11076 1 873 . 1 1 84 84 TRP HE1 H 1 10.220 0.005 . 1 . . . . 84 TRP HE1 . 11076 1 874 . 1 1 84 84 TRP HE3 H 1 7.112 0.003 . 1 . . . . 84 TRP HE3 . 11076 1 875 . 1 1 84 84 TRP HH2 H 1 6.950 0.000 . 1 . . . . 84 TRP HH2 . 11076 1 876 . 1 1 84 84 TRP HZ2 H 1 7.269 0.000 . 1 . . . . 84 TRP HZ2 . 11076 1 877 . 1 1 84 84 TRP HZ3 H 1 6.821 0.001 . 1 . . . . 84 TRP HZ3 . 11076 1 878 . 1 1 84 84 TRP C C 13 178.319 0.000 . 1 . . . . 84 TRP C . 11076 1 879 . 1 1 84 84 TRP CA C 13 58.367 0.021 . 1 . . . . 84 TRP CA . 11076 1 880 . 1 1 84 84 TRP CB C 13 29.095 0.031 . 1 . . . . 84 TRP CB . 11076 1 881 . 1 1 84 84 TRP N N 15 120.514 0.025 . 1 . . . . 84 TRP N . 11076 1 882 . 1 1 84 84 TRP NE1 N 15 129.738 0.000 . 1 . . . . 84 TRP NE1 . 11076 1 883 . 1 1 85 85 GLN H H 1 8.762 0.006 . 1 . . . . 85 GLN H . 11076 1 884 . 1 1 85 85 GLN HA H 1 3.879 0.000 . 1 . . . . 85 GLN HA . 11076 1 885 . 1 1 85 85 GLN HE21 H 1 6.883 0.027 . 1 . . . . 85 GLN HE21 . 11076 1 886 . 1 1 85 85 GLN HE22 H 1 7.512 0.005 . 1 . . . . 85 GLN HE22 . 11076 1 887 . 1 1 85 85 GLN C C 13 177.652 0.011 . 1 . . . . 85 GLN C . 11076 1 888 . 1 1 85 85 GLN CA C 13 60.274 0.084 . 1 . . . . 85 GLN CA . 11076 1 889 . 1 1 85 85 GLN CB C 13 27.953 0.037 . 1 . . . . 85 GLN CB . 11076 1 890 . 1 1 85 85 GLN N N 15 118.529 0.032 . 1 . . . . 85 GLN N . 11076 1 891 . 1 1 85 85 GLN NE2 N 15 112.265 0.047 . 1 . . . . 85 GLN NE2 . 11076 1 892 . 1 1 86 86 GLY H H 1 8.652 0.005 . 1 . . . . 86 GLY H . 11076 1 893 . 1 1 86 86 GLY HA2 H 1 4.125 0.000 . 2 . . . . 86 GLY HA2 . 11076 1 894 . 1 1 86 86 GLY HA3 H 1 3.982 0.000 . 2 . . . . 86 GLY HA3 . 11076 1 895 . 1 1 86 86 GLY C C 13 176.723 0.000 . 1 . . . . 86 GLY C . 11076 1 896 . 1 1 86 86 GLY CA C 13 47.398 0.001 . 1 . . . . 86 GLY CA . 11076 1 897 . 1 1 86 86 GLY N N 15 107.716 0.017 . 1 . . . . 86 GLY N . 11076 1 898 . 1 1 87 87 SER H H 1 8.428 0.006 . 1 . . . . 87 SER H . 11076 1 899 . 1 1 87 87 SER HA H 1 4.407 0.013 . 1 . . . . 87 SER HA . 11076 1 900 . 1 1 87 87 SER HB2 H 1 3.881 0.015 . 1 . . . . 87 SER HB2 . 11076 1 901 . 1 1 87 87 SER HB3 H 1 3.881 0.015 . 1 . . . . 87 SER HB3 . 11076 1 902 . 1 1 87 87 SER C C 13 177.418 0.000 . 1 . . . . 87 SER C . 11076 1 903 . 1 1 87 87 SER CA C 13 62.305 0.049 . 1 . . . . 87 SER CA . 11076 1 904 . 1 1 87 87 SER CB C 13 63.274 0.079 . 1 . . . . 87 SER CB . 11076 1 905 . 1 1 87 87 SER N N 15 119.399 0.021 . 1 . . . . 87 SER N . 11076 1 906 . 1 1 88 88 LEU H H 1 8.160 0.009 . 1 . . . . 88 LEU H . 11076 1 907 . 1 1 88 88 LEU HA H 1 3.926 0.016 . 1 . . . . 88 LEU HA . 11076 1 908 . 1 1 88 88 LEU HB2 H 1 1.490 0.000 . 1 . . . . 88 LEU HB2 . 11076 1 909 . 1 1 88 88 LEU HB3 H 1 1.490 0.000 . 1 . . . . 88 LEU HB3 . 11076 1 910 . 1 1 88 88 LEU HD11 H 1 0.664 0.014 . 2 . . . . 88 LEU HD11 . 11076 1 911 . 1 1 88 88 LEU HD12 H 1 0.664 0.014 . 2 . . . . 88 LEU HD12 . 11076 1 912 . 1 1 88 88 LEU HD13 H 1 0.664 0.014 . 2 . . . . 88 LEU HD13 . 11076 1 913 . 1 1 88 88 LEU HD21 H 1 0.286 0.010 . 2 . . . . 88 LEU HD21 . 11076 1 914 . 1 1 88 88 LEU HD22 H 1 0.286 0.010 . 2 . . . . 88 LEU HD22 . 11076 1 915 . 1 1 88 88 LEU HD23 H 1 0.286 0.010 . 2 . . . . 88 LEU HD23 . 11076 1 916 . 1 1 88 88 LEU HG H 1 1.432 0.000 . 1 . . . . 88 LEU HG . 11076 1 917 . 1 1 88 88 LEU C C 13 178.924 0.033 . 1 . . . . 88 LEU C . 11076 1 918 . 1 1 88 88 LEU CA C 13 57.974 0.020 . 1 . . . . 88 LEU CA . 11076 1 919 . 1 1 88 88 LEU CB C 13 41.110 0.000 . 1 . . . . 88 LEU CB . 11076 1 920 . 1 1 88 88 LEU CD1 C 13 26.473 0.000 . 2 . . . . 88 LEU CD1 . 11076 1 921 . 1 1 88 88 LEU CD2 C 13 23.536 0.021 . 2 . . . . 88 LEU CD2 . 11076 1 922 . 1 1 88 88 LEU N N 15 123.129 0.019 . 1 . . . . 88 LEU N . 11076 1 923 . 1 1 89 89 PHE H H 1 8.873 0.006 . 1 . . . . 89 PHE H . 11076 1 924 . 1 1 89 89 PHE HA H 1 4.597 0.000 . 1 . . . . 89 PHE HA . 11076 1 925 . 1 1 89 89 PHE HB2 H 1 3.472 0.019 . 2 . . . . 89 PHE HB2 . 11076 1 926 . 1 1 89 89 PHE HB3 H 1 3.313 0.016 . 2 . . . . 89 PHE HB3 . 11076 1 927 . 1 1 89 89 PHE HD1 H 1 7.431 0.008 . 3 . . . . 89 PHE HD1 . 11076 1 928 . 1 1 89 89 PHE HD2 H 1 7.431 0.008 . 3 . . . . 89 PHE HD2 . 11076 1 929 . 1 1 89 89 PHE C C 13 180.741 0.047 . 1 . . . . 89 PHE C . 11076 1 930 . 1 1 89 89 PHE CA C 13 60.933 0.064 . 1 . . . . 89 PHE CA . 11076 1 931 . 1 1 89 89 PHE CB C 13 38.582 0.085 . 1 . . . . 89 PHE CB . 11076 1 932 . 1 1 89 89 PHE CD1 C 13 131.577 0.036 . 3 . . . . 89 PHE CD1 . 11076 1 933 . 1 1 89 89 PHE CD2 C 13 131.577 0.036 . 3 . . . . 89 PHE CD2 . 11076 1 934 . 1 1 89 89 PHE N N 15 121.924 0.035 . 1 . . . . 89 PHE N . 11076 1 935 . 1 1 90 90 ASN H H 1 8.274 0.009 . 1 . . . . 90 ASN H . 11076 1 936 . 1 1 90 90 ASN HA H 1 4.455 0.009 . 1 . . . . 90 ASN HA . 11076 1 937 . 1 1 90 90 ASN HB2 H 1 2.949 0.003 . 1 . . . . 90 ASN HB2 . 11076 1 938 . 1 1 90 90 ASN HB3 H 1 2.949 0.003 . 1 . . . . 90 ASN HB3 . 11076 1 939 . 1 1 90 90 ASN HD21 H 1 7.668 0.000 . 1 . . . . 90 ASN HD21 . 11076 1 940 . 1 1 90 90 ASN HD22 H 1 6.919 0.000 . 1 . . . . 90 ASN HD22 . 11076 1 941 . 1 1 90 90 ASN C C 13 175.437 0.017 . 1 . . . . 90 ASN C . 11076 1 942 . 1 1 90 90 ASN CA C 13 55.496 0.007 . 1 . . . . 90 ASN CA . 11076 1 943 . 1 1 90 90 ASN CB C 13 38.075 0.119 . 1 . . . . 90 ASN CB . 11076 1 944 . 1 1 90 90 ASN N N 15 119.626 0.045 . 1 . . . . 90 ASN N . 11076 1 945 . 1 1 90 90 ASN ND2 N 15 111.971 0.001 . 1 . . . . 90 ASN ND2 . 11076 1 946 . 1 1 91 91 ALA H H 1 7.359 0.005 . 1 . . . . 91 ALA H . 11076 1 947 . 1 1 91 91 ALA HA H 1 4.288 0.005 . 1 . . . . 91 ALA HA . 11076 1 948 . 1 1 91 91 ALA HB1 H 1 1.323 0.007 . 1 . . . . 91 ALA HB1 . 11076 1 949 . 1 1 91 91 ALA HB2 H 1 1.323 0.007 . 1 . . . . 91 ALA HB2 . 11076 1 950 . 1 1 91 91 ALA HB3 H 1 1.323 0.007 . 1 . . . . 91 ALA HB3 . 11076 1 951 . 1 1 91 91 ALA C C 13 174.806 0.000 . 1 . . . . 91 ALA C . 11076 1 952 . 1 1 91 91 ALA CA C 13 51.449 0.037 . 1 . . . . 91 ALA CA . 11076 1 953 . 1 1 91 91 ALA CB C 13 18.271 0.053 . 1 . . . . 91 ALA CB . 11076 1 954 . 1 1 91 91 ALA N N 15 122.186 0.007 . 1 . . . . 91 ALA N . 11076 1 955 . 1 1 92 92 ASN H H 1 7.684 0.004 . 1 . . . . 92 ASN H . 11076 1 956 . 1 1 92 92 ASN HA H 1 4.087 0.005 . 1 . . . . 92 ASN HA . 11076 1 957 . 1 1 92 92 ASN HB2 H 1 2.818 0.005 . 2 . . . . 92 ASN HB2 . 11076 1 958 . 1 1 92 92 ASN HB3 H 1 2.661 0.002 . 2 . . . . 92 ASN HB3 . 11076 1 959 . 1 1 92 92 ASN HD21 H 1 6.660 0.000 . 1 . . . . 92 ASN HD21 . 11076 1 960 . 1 1 92 92 ASN HD22 H 1 7.267 0.000 . 1 . . . . 92 ASN HD22 . 11076 1 961 . 1 1 92 92 ASN C C 13 174.177 0.003 . 1 . . . . 92 ASN C . 11076 1 962 . 1 1 92 92 ASN CA C 13 54.479 0.074 . 1 . . . . 92 ASN CA . 11076 1 963 . 1 1 92 92 ASN CB C 13 36.419 0.007 . 1 . . . . 92 ASN CB . 11076 1 964 . 1 1 92 92 ASN N N 15 110.233 0.013 . 1 . . . . 92 ASN N . 11076 1 965 . 1 1 92 92 ASN ND2 N 15 112.408 0.001 . 1 . . . . 92 ASN ND2 . 11076 1 966 . 1 1 93 93 TYR H H 1 7.839 0.004 . 1 . . . . 93 TYR H . 11076 1 967 . 1 1 93 93 TYR HA H 1 4.486 0.011 . 1 . . . . 93 TYR HA . 11076 1 968 . 1 1 93 93 TYR HB2 H 1 2.746 0.000 . 2 . . . . 93 TYR HB2 . 11076 1 969 . 1 1 93 93 TYR HB3 H 1 2.579 0.077 . 2 . . . . 93 TYR HB3 . 11076 1 970 . 1 1 93 93 TYR HD1 H 1 6.636 0.010 . 3 . . . . 93 TYR HD1 . 11076 1 971 . 1 1 93 93 TYR HD2 H 1 6.636 0.010 . 3 . . . . 93 TYR HD2 . 11076 1 972 . 1 1 93 93 TYR HE1 H 1 6.488 0.009 . 3 . . . . 93 TYR HE1 . 11076 1 973 . 1 1 93 93 TYR HE2 H 1 6.488 0.009 . 3 . . . . 93 TYR HE2 . 11076 1 974 . 1 1 93 93 TYR C C 13 174.688 0.006 . 1 . . . . 93 TYR C . 11076 1 975 . 1 1 93 93 TYR CA C 13 56.340 0.124 . 1 . . . . 93 TYR CA . 11076 1 976 . 1 1 93 93 TYR CB C 13 39.284 0.096 . 1 . . . . 93 TYR CB . 11076 1 977 . 1 1 93 93 TYR CD1 C 13 132.364 0.023 . 3 . . . . 93 TYR CD1 . 11076 1 978 . 1 1 93 93 TYR CD2 C 13 132.364 0.023 . 3 . . . . 93 TYR CD2 . 11076 1 979 . 1 1 93 93 TYR CE1 C 13 117.128 0.020 . 3 . . . . 93 TYR CE1 . 11076 1 980 . 1 1 93 93 TYR CE2 C 13 117.128 0.020 . 3 . . . . 93 TYR CE2 . 11076 1 981 . 1 1 93 93 TYR N N 15 117.441 0.013 . 1 . . . . 93 TYR N . 11076 1 982 . 1 1 94 94 ASP H H 1 8.466 0.012 . 1 . . . . 94 ASP H . 11076 1 983 . 1 1 94 94 ASP HA H 1 4.840 0.000 . 1 . . . . 94 ASP HA . 11076 1 984 . 1 1 94 94 ASP HB2 H 1 2.880 0.000 . 2 . . . . 94 ASP HB2 . 11076 1 985 . 1 1 94 94 ASP HB3 H 1 2.556 0.000 . 2 . . . . 94 ASP HB3 . 11076 1 986 . 1 1 94 94 ASP C C 13 175.184 0.006 . 1 . . . . 94 ASP C . 11076 1 987 . 1 1 94 94 ASP CA C 13 53.792 0.000 . 1 . . . . 94 ASP CA . 11076 1 988 . 1 1 94 94 ASP CB C 13 41.038 0.000 . 1 . . . . 94 ASP CB . 11076 1 989 . 1 1 94 94 ASP N N 15 123.067 0.022 . 1 . . . . 94 ASP N . 11076 1 990 . 1 1 95 95 VAL H H 1 7.781 0.007 . 1 . . . . 95 VAL H . 11076 1 991 . 1 1 95 95 VAL HA H 1 5.311 0.076 . 1 . . . . 95 VAL HA . 11076 1 992 . 1 1 95 95 VAL HB H 1 2.105 0.003 . 1 . . . . 95 VAL HB . 11076 1 993 . 1 1 95 95 VAL HG11 H 1 0.965 0.003 . 1 . . . . 95 VAL HG11 . 11076 1 994 . 1 1 95 95 VAL HG12 H 1 0.965 0.003 . 1 . . . . 95 VAL HG12 . 11076 1 995 . 1 1 95 95 VAL HG13 H 1 0.965 0.003 . 1 . . . . 95 VAL HG13 . 11076 1 996 . 1 1 95 95 VAL HG21 H 1 0.965 0.003 . 1 . . . . 95 VAL HG21 . 11076 1 997 . 1 1 95 95 VAL HG22 H 1 0.965 0.003 . 1 . . . . 95 VAL HG22 . 11076 1 998 . 1 1 95 95 VAL HG23 H 1 0.965 0.003 . 1 . . . . 95 VAL HG23 . 11076 1 999 . 1 1 95 95 VAL C C 13 174.373 0.003 . 1 . . . . 95 VAL C . 11076 1 1000 . 1 1 95 95 VAL CA C 13 58.834 0.052 . 1 . . . . 95 VAL CA . 11076 1 1001 . 1 1 95 95 VAL CB C 13 35.718 0.027 . 1 . . . . 95 VAL CB . 11076 1 1002 . 1 1 95 95 VAL N N 15 119.398 0.007 . 1 . . . . 95 VAL N . 11076 1 1003 . 1 1 96 96 GLN H H 1 8.584 0.026 . 1 . . . . 96 GLN H . 11076 1 1004 . 1 1 96 96 GLN HA H 1 4.391 0.000 . 1 . . . . 96 GLN HA . 11076 1 1005 . 1 1 96 96 GLN HB2 H 1 1.893 0.004 . 1 . . . . 96 GLN HB2 . 11076 1 1006 . 1 1 96 96 GLN HB3 H 1 1.893 0.004 . 1 . . . . 96 GLN HB3 . 11076 1 1007 . 1 1 96 96 GLN HE21 H 1 6.957 0.000 . 1 . . . . 96 GLN HE21 . 11076 1 1008 . 1 1 96 96 GLN HE22 H 1 7.417 0.001 . 1 . . . . 96 GLN HE22 . 11076 1 1009 . 1 1 96 96 GLN HG2 H 1 2.288 0.006 . 1 . . . . 96 GLN HG2 . 11076 1 1010 . 1 1 96 96 GLN HG3 H 1 2.288 0.006 . 1 . . . . 96 GLN HG3 . 11076 1 1011 . 1 1 96 96 GLN C C 13 173.811 0.008 . 1 . . . . 96 GLN C . 11076 1 1012 . 1 1 96 96 GLN CA C 13 57.015 0.000 . 1 . . . . 96 GLN CA . 11076 1 1013 . 1 1 96 96 GLN CB C 13 32.235 0.026 . 1 . . . . 96 GLN CB . 11076 1 1014 . 1 1 96 96 GLN N N 15 122.017 0.040 . 1 . . . . 96 GLN N . 11076 1 1015 . 1 1 96 96 GLN NE2 N 15 111.076 0.000 . 1 . . . . 96 GLN NE2 . 11076 1 1016 . 1 1 97 97 ARG H H 1 8.476 0.014 . 1 . . . . 97 ARG H . 11076 1 1017 . 1 1 97 97 ARG HA H 1 5.272 0.118 . 1 . . . . 97 ARG HA . 11076 1 1018 . 1 1 97 97 ARG HB2 H 1 2.442 0.052 . 1 . . . . 97 ARG HB2 . 11076 1 1019 . 1 1 97 97 ARG HB3 H 1 2.442 0.052 . 1 . . . . 97 ARG HB3 . 11076 1 1020 . 1 1 97 97 ARG HD2 H 1 2.960 0.000 . 1 . . . . 97 ARG HD2 . 11076 1 1021 . 1 1 97 97 ARG HD3 H 1 2.960 0.000 . 1 . . . . 97 ARG HD3 . 11076 1 1022 . 1 1 97 97 ARG HG2 H 1 2.119 0.012 . 1 . . . . 97 ARG HG2 . 11076 1 1023 . 1 1 97 97 ARG HG3 H 1 2.119 0.012 . 1 . . . . 97 ARG HG3 . 11076 1 1024 . 1 1 97 97 ARG C C 13 174.423 0.000 . 1 . . . . 97 ARG C . 11076 1 1025 . 1 1 97 97 ARG CA C 13 53.633 0.028 . 1 . . . . 97 ARG CA . 11076 1 1026 . 1 1 97 97 ARG CB C 13 33.469 0.016 . 1 . . . . 97 ARG CB . 11076 1 1027 . 1 1 97 97 ARG N N 15 123.056 0.015 . 1 . . . . 97 ARG N . 11076 1 1028 . 1 1 98 98 PHE H H 1 8.892 0.010 . 1 . . . . 98 PHE H . 11076 1 1029 . 1 1 98 98 PHE HA H 1 4.811 0.027 . 1 . . . . 98 PHE HA . 11076 1 1030 . 1 1 98 98 PHE HB2 H 1 2.976 0.013 . 2 . . . . 98 PHE HB2 . 11076 1 1031 . 1 1 98 98 PHE HB3 H 1 2.602 0.030 . 2 . . . . 98 PHE HB3 . 11076 1 1032 . 1 1 98 98 PHE HD1 H 1 7.051 0.016 . 3 . . . . 98 PHE HD1 . 11076 1 1033 . 1 1 98 98 PHE HD2 H 1 7.051 0.016 . 3 . . . . 98 PHE HD2 . 11076 1 1034 . 1 1 98 98 PHE C C 13 174.492 0.000 . 1 . . . . 98 PHE C . 11076 1 1035 . 1 1 98 98 PHE CA C 13 56.193 0.031 . 1 . . . . 98 PHE CA . 11076 1 1036 . 1 1 98 98 PHE CB C 13 38.386 0.025 . 1 . . . . 98 PHE CB . 11076 1 1037 . 1 1 98 98 PHE CD1 C 13 131.447 0.027 . 3 . . . . 98 PHE CD1 . 11076 1 1038 . 1 1 98 98 PHE CD2 C 13 131.447 0.027 . 3 . . . . 98 PHE CD2 . 11076 1 1039 . 1 1 98 98 PHE N N 15 122.336 0.010 . 1 . . . . 98 PHE N . 11076 1 1040 . 1 1 99 99 ILE H H 1 9.220 0.008 . 1 . . . . 99 ILE H . 11076 1 1041 . 1 1 99 99 ILE HA H 1 4.374 0.019 . 1 . . . . 99 ILE HA . 11076 1 1042 . 1 1 99 99 ILE HB H 1 2.092 0.003 . 1 . . . . 99 ILE HB . 11076 1 1043 . 1 1 99 99 ILE HD11 H 1 0.720 0.004 . 1 . . . . 99 ILE HD11 . 11076 1 1044 . 1 1 99 99 ILE HD12 H 1 0.720 0.004 . 1 . . . . 99 ILE HD12 . 11076 1 1045 . 1 1 99 99 ILE HD13 H 1 0.720 0.004 . 1 . . . . 99 ILE HD13 . 11076 1 1046 . 1 1 99 99 ILE HG12 H 1 1.414 0.003 . 1 . . . . 99 ILE HG12 . 11076 1 1047 . 1 1 99 99 ILE HG13 H 1 1.414 0.003 . 1 . . . . 99 ILE HG13 . 11076 1 1048 . 1 1 99 99 ILE HG21 H 1 1.140 0.004 . 1 . . . . 99 ILE HG21 . 11076 1 1049 . 1 1 99 99 ILE HG22 H 1 1.140 0.004 . 1 . . . . 99 ILE HG22 . 11076 1 1050 . 1 1 99 99 ILE HG23 H 1 1.140 0.004 . 1 . . . . 99 ILE HG23 . 11076 1 1051 . 1 1 99 99 ILE C C 13 179.413 0.000 . 1 . . . . 99 ILE C . 11076 1 1052 . 1 1 99 99 ILE CD1 C 13 11.189 0.012 . 1 . . . . 99 ILE CD1 . 11076 1 1053 . 1 1 99 99 ILE CG2 C 13 18.167 0.015 . 1 . . . . 99 ILE CG2 . 11076 1 1054 . 1 1 99 99 ILE N N 15 126.044 0.016 . 1 . . . . 99 ILE N . 11076 1 1055 . 1 1 100 100 VAL H H 1 8.227 0.000 . 1 . . . . 100 VAL H . 11076 1 1056 . 1 1 100 100 VAL HA H 1 4.682 0.005 . 1 . . . . 100 VAL HA . 11076 1 1057 . 1 1 100 100 VAL HB H 1 2.418 0.008 . 1 . . . . 100 VAL HB . 11076 1 1058 . 1 1 100 100 VAL HG11 H 1 0.862 0.011 . 2 . . . . 100 VAL HG11 . 11076 1 1059 . 1 1 100 100 VAL HG12 H 1 0.862 0.011 . 2 . . . . 100 VAL HG12 . 11076 1 1060 . 1 1 100 100 VAL HG13 H 1 0.862 0.011 . 2 . . . . 100 VAL HG13 . 11076 1 1061 . 1 1 100 100 VAL HG21 H 1 0.762 0.000 . 2 . . . . 100 VAL HG21 . 11076 1 1062 . 1 1 100 100 VAL HG22 H 1 0.762 0.000 . 2 . . . . 100 VAL HG22 . 11076 1 1063 . 1 1 100 100 VAL HG23 H 1 0.762 0.000 . 2 . . . . 100 VAL HG23 . 11076 1 1064 . 1 1 100 100 VAL C C 13 174.519 0.000 . 1 . . . . 100 VAL C . 11076 1 1065 . 1 1 100 100 VAL CA C 13 60.841 0.015 . 1 . . . . 100 VAL CA . 11076 1 1066 . 1 1 100 100 VAL CB C 13 32.929 0.061 . 1 . . . . 100 VAL CB . 11076 1 1067 . 1 1 100 100 VAL CG1 C 13 22.110 0.026 . 2 . . . . 100 VAL CG1 . 11076 1 1068 . 1 1 100 100 VAL CG2 C 13 19.485 0.213 . 2 . . . . 100 VAL CG2 . 11076 1 1069 . 1 1 100 100 VAL N N 15 118.937 0.000 . 1 . . . . 100 VAL N . 11076 1 1070 . 1 1 101 101 GLY H H 1 8.134 0.007 . 1 . . . . 101 GLY H . 11076 1 1071 . 1 1 101 101 GLY HA2 H 1 4.066 0.000 . 1 . . . . 101 GLY HA2 . 11076 1 1072 . 1 1 101 101 GLY HA3 H 1 4.066 0.000 . 1 . . . . 101 GLY HA3 . 11076 1 1073 . 1 1 101 101 GLY C C 13 172.590 0.016 . 1 . . . . 101 GLY C . 11076 1 1074 . 1 1 101 101 GLY CA C 13 45.070 0.034 . 1 . . . . 101 GLY CA . 11076 1 1075 . 1 1 101 101 GLY N N 15 110.722 0.018 . 1 . . . . 101 GLY N . 11076 1 1076 . 1 1 102 102 SER H H 1 8.784 0.012 . 1 . . . . 102 SER H . 11076 1 1077 . 1 1 102 102 SER HA H 1 4.463 0.030 . 1 . . . . 102 SER HA . 11076 1 1078 . 1 1 102 102 SER HB2 H 1 3.886 0.019 . 1 . . . . 102 SER HB2 . 11076 1 1079 . 1 1 102 102 SER HB3 H 1 3.886 0.019 . 1 . . . . 102 SER HB3 . 11076 1 1080 . 1 1 102 102 SER C C 13 173.948 0.000 . 1 . . . . 102 SER C . 11076 1 1081 . 1 1 102 102 SER CA C 13 62.297 0.058 . 1 . . . . 102 SER CA . 11076 1 1082 . 1 1 102 102 SER CB C 13 62.961 0.013 . 1 . . . . 102 SER CB . 11076 1 1083 . 1 1 102 102 SER N N 15 114.536 0.020 . 1 . . . . 102 SER N . 11076 1 1084 . 1 1 103 103 ASP H H 1 7.898 0.005 . 1 . . . . 103 ASP H . 11076 1 1085 . 1 1 103 103 ASP HA H 1 4.727 0.018 . 1 . . . . 103 ASP HA . 11076 1 1086 . 1 1 103 103 ASP HB2 H 1 2.769 0.017 . 2 . . . . 103 ASP HB2 . 11076 1 1087 . 1 1 103 103 ASP HB3 H 1 2.546 0.000 . 2 . . . . 103 ASP HB3 . 11076 1 1088 . 1 1 103 103 ASP C C 13 175.308 0.003 . 1 . . . . 103 ASP C . 11076 1 1089 . 1 1 103 103 ASP CA C 13 52.198 0.031 . 1 . . . . 103 ASP CA . 11076 1 1090 . 1 1 103 103 ASP CB C 13 41.769 0.011 . 1 . . . . 103 ASP CB . 11076 1 1091 . 1 1 103 103 ASP N N 15 114.786 0.014 . 1 . . . . 103 ASP N . 11076 1 1092 . 1 1 104 104 ARG H H 1 7.066 0.005 . 1 . . . . 104 ARG H . 11076 1 1093 . 1 1 104 104 ARG HA H 1 5.626 0.010 . 1 . . . . 104 ARG HA . 11076 1 1094 . 1 1 104 104 ARG HB2 H 1 1.699 0.021 . 1 . . . . 104 ARG HB2 . 11076 1 1095 . 1 1 104 104 ARG HB3 H 1 1.699 0.021 . 1 . . . . 104 ARG HB3 . 11076 1 1096 . 1 1 104 104 ARG HD2 H 1 3.103 0.000 . 1 . . . . 104 ARG HD2 . 11076 1 1097 . 1 1 104 104 ARG HD3 H 1 3.103 0.000 . 1 . . . . 104 ARG HD3 . 11076 1 1098 . 1 1 104 104 ARG C C 13 174.188 0.021 . 1 . . . . 104 ARG C . 11076 1 1099 . 1 1 104 104 ARG CA C 13 54.440 0.074 . 1 . . . . 104 ARG CA . 11076 1 1100 . 1 1 104 104 ARG CB C 13 35.337 0.037 . 1 . . . . 104 ARG CB . 11076 1 1101 . 1 1 104 104 ARG N N 15 116.602 0.034 . 1 . . . . 104 ARG N . 11076 1 1102 . 1 1 105 105 ALA H H 1 9.165 0.006 . 1 . . . . 105 ALA H . 11076 1 1103 . 1 1 105 105 ALA HA H 1 5.377 0.017 . 1 . . . . 105 ALA HA . 11076 1 1104 . 1 1 105 105 ALA HB1 H 1 1.265 0.007 . 1 . . . . 105 ALA HB1 . 11076 1 1105 . 1 1 105 105 ALA HB2 H 1 1.265 0.007 . 1 . . . . 105 ALA HB2 . 11076 1 1106 . 1 1 105 105 ALA HB3 H 1 1.265 0.007 . 1 . . . . 105 ALA HB3 . 11076 1 1107 . 1 1 105 105 ALA C C 13 175.350 0.002 . 1 . . . . 105 ALA C . 11076 1 1108 . 1 1 105 105 ALA CA C 13 50.021 0.115 . 1 . . . . 105 ALA CA . 11076 1 1109 . 1 1 105 105 ALA CB C 13 23.660 0.093 . 1 . . . . 105 ALA CB . 11076 1 1110 . 1 1 105 105 ALA N N 15 123.009 0.029 . 1 . . . . 105 ALA N . 11076 1 1111 . 1 1 106 106 ILE H H 1 9.329 0.008 . 1 . . . . 106 ILE H . 11076 1 1112 . 1 1 106 106 ILE HA H 1 4.599 0.000 . 1 . . . . 106 ILE HA . 11076 1 1113 . 1 1 106 106 ILE HB H 1 1.510 0.087 . 1 . . . . 106 ILE HB . 11076 1 1114 . 1 1 106 106 ILE HD11 H 1 0.707 0.010 . 1 . . . . 106 ILE HD11 . 11076 1 1115 . 1 1 106 106 ILE HD12 H 1 0.707 0.010 . 1 . . . . 106 ILE HD12 . 11076 1 1116 . 1 1 106 106 ILE HD13 H 1 0.707 0.010 . 1 . . . . 106 ILE HD13 . 11076 1 1117 . 1 1 106 106 ILE HG12 H 1 1.572 0.071 . 2 . . . . 106 ILE HG12 . 11076 1 1118 . 1 1 106 106 ILE HG13 H 1 0.928 0.000 . 2 . . . . 106 ILE HG13 . 11076 1 1119 . 1 1 106 106 ILE HG21 H 1 0.544 0.247 . 1 . . . . 106 ILE HG21 . 11076 1 1120 . 1 1 106 106 ILE HG22 H 1 0.544 0.247 . 1 . . . . 106 ILE HG22 . 11076 1 1121 . 1 1 106 106 ILE HG23 H 1 0.544 0.247 . 1 . . . . 106 ILE HG23 . 11076 1 1122 . 1 1 106 106 ILE C C 13 176.002 0.005 . 1 . . . . 106 ILE C . 11076 1 1123 . 1 1 106 106 ILE CA C 13 60.049 0.010 . 1 . . . . 106 ILE CA . 11076 1 1124 . 1 1 106 106 ILE CB C 13 41.371 0.015 . 1 . . . . 106 ILE CB . 11076 1 1125 . 1 1 106 106 ILE CD1 C 13 14.771 0.006 . 1 . . . . 106 ILE CD1 . 11076 1 1126 . 1 1 106 106 ILE CG2 C 13 17.587 0.019 . 1 . . . . 106 ILE CG2 . 11076 1 1127 . 1 1 106 106 ILE N N 15 120.274 0.016 . 1 . . . . 106 ILE N . 11076 1 1128 . 1 1 107 107 PHE H H 1 9.219 0.014 . 1 . . . . 107 PHE H . 11076 1 1129 . 1 1 107 107 PHE HA H 1 5.249 0.012 . 1 . . . . 107 PHE HA . 11076 1 1130 . 1 1 107 107 PHE HB2 H 1 2.876 0.022 . 2 . . . . 107 PHE HB2 . 11076 1 1131 . 1 1 107 107 PHE HB3 H 1 2.562 0.005 . 2 . . . . 107 PHE HB3 . 11076 1 1132 . 1 1 107 107 PHE HD1 H 1 7.112 0.011 . 3 . . . . 107 PHE HD1 . 11076 1 1133 . 1 1 107 107 PHE HD2 H 1 7.112 0.011 . 3 . . . . 107 PHE HD2 . 11076 1 1134 . 1 1 107 107 PHE C C 13 173.979 0.015 . 1 . . . . 107 PHE C . 11076 1 1135 . 1 1 107 107 PHE CA C 13 56.190 0.024 . 1 . . . . 107 PHE CA . 11076 1 1136 . 1 1 107 107 PHE CB C 13 40.441 0.048 . 1 . . . . 107 PHE CB . 11076 1 1137 . 1 1 107 107 PHE CD1 C 13 131.419 0.000 . 3 . . . . 107 PHE CD1 . 11076 1 1138 . 1 1 107 107 PHE CD2 C 13 131.419 0.000 . 3 . . . . 107 PHE CD2 . 11076 1 1139 . 1 1 107 107 PHE N N 15 126.039 0.016 . 1 . . . . 107 PHE N . 11076 1 1140 . 1 1 108 108 MET H H 1 9.363 0.007 . 1 . . . . 108 MET H . 11076 1 1141 . 1 1 108 108 MET HA H 1 5.027 0.020 . 1 . . . . 108 MET HA . 11076 1 1142 . 1 1 108 108 MET HB2 H 1 2.121 0.000 . 1 . . . . 108 MET HB2 . 11076 1 1143 . 1 1 108 108 MET HB3 H 1 2.121 0.000 . 1 . . . . 108 MET HB3 . 11076 1 1144 . 1 1 108 108 MET HE1 H 1 1.840 0.024 . 1 . . . . 108 MET HE1 . 11076 1 1145 . 1 1 108 108 MET HE2 H 1 1.840 0.024 . 1 . . . . 108 MET HE2 . 11076 1 1146 . 1 1 108 108 MET HE3 H 1 1.840 0.024 . 1 . . . . 108 MET HE3 . 11076 1 1147 . 1 1 108 108 MET HG2 H 1 2.270 0.000 . 1 . . . . 108 MET HG2 . 11076 1 1148 . 1 1 108 108 MET HG3 H 1 2.270 0.000 . 1 . . . . 108 MET HG3 . 11076 1 1149 . 1 1 108 108 MET C C 13 174.374 0.013 . 1 . . . . 108 MET C . 11076 1 1150 . 1 1 108 108 MET CA C 13 54.090 0.048 . 1 . . . . 108 MET CA . 11076 1 1151 . 1 1 108 108 MET CB C 13 35.239 0.000 . 1 . . . . 108 MET CB . 11076 1 1152 . 1 1 108 108 MET CE C 13 17.384 0.000 . 1 . . . . 108 MET CE . 11076 1 1153 . 1 1 108 108 MET N N 15 123.596 0.034 . 1 . . . . 108 MET N . 11076 1 1154 . 1 1 109 109 LEU H H 1 9.265 0.017 . 1 . . . . 109 LEU H . 11076 1 1155 . 1 1 109 109 LEU HA H 1 4.365 0.033 . 1 . . . . 109 LEU HA . 11076 1 1156 . 1 1 109 109 LEU HB2 H 1 1.677 0.040 . 1 . . . . 109 LEU HB2 . 11076 1 1157 . 1 1 109 109 LEU HB3 H 1 1.677 0.040 . 1 . . . . 109 LEU HB3 . 11076 1 1158 . 1 1 109 109 LEU HD11 H 1 0.890 0.028 . 1 . . . . 109 LEU HD11 . 11076 1 1159 . 1 1 109 109 LEU HD12 H 1 0.890 0.028 . 1 . . . . 109 LEU HD12 . 11076 1 1160 . 1 1 109 109 LEU HD13 H 1 0.890 0.028 . 1 . . . . 109 LEU HD13 . 11076 1 1161 . 1 1 109 109 LEU HD21 H 1 0.890 0.028 . 1 . . . . 109 LEU HD21 . 11076 1 1162 . 1 1 109 109 LEU HD22 H 1 0.890 0.028 . 1 . . . . 109 LEU HD22 . 11076 1 1163 . 1 1 109 109 LEU HD23 H 1 0.890 0.028 . 1 . . . . 109 LEU HD23 . 11076 1 1164 . 1 1 109 109 LEU CA C 13 52.754 0.000 . 1 . . . . 109 LEU CA . 11076 1 1165 . 1 1 109 109 LEU CB C 13 41.884 0.000 . 1 . . . . 109 LEU CB . 11076 1 1166 . 1 1 109 109 LEU N N 15 128.215 0.000 . 1 . . . . 109 LEU N . 11076 1 1167 . 1 1 110 110 ARG H H 1 7.954 0.009 . 1 . . . . 110 ARG H . 11076 1 1168 . 1 1 110 110 ARG HA H 1 4.013 0.006 . 1 . . . . 110 ARG HA . 11076 1 1169 . 1 1 110 110 ARG HB2 H 1 1.973 0.005 . 1 . . . . 110 ARG HB2 . 11076 1 1170 . 1 1 110 110 ARG HB3 H 1 1.973 0.005 . 1 . . . . 110 ARG HB3 . 11076 1 1171 . 1 1 110 110 ARG HD2 H 1 3.227 0.010 . 1 . . . . 110 ARG HD2 . 11076 1 1172 . 1 1 110 110 ARG HD3 H 1 3.227 0.010 . 1 . . . . 110 ARG HD3 . 11076 1 1173 . 1 1 110 110 ARG HG2 H 1 1.624 0.004 . 1 . . . . 110 ARG HG2 . 11076 1 1174 . 1 1 110 110 ARG HG3 H 1 1.624 0.004 . 1 . . . . 110 ARG HG3 . 11076 1 1175 . 1 1 110 110 ARG C C 13 175.621 0.000 . 1 . . . . 110 ARG C . 11076 1 1176 . 1 1 110 110 ARG CA C 13 57.213 0.000 . 1 . . . . 110 ARG CA . 11076 1 1177 . 1 1 110 110 ARG CB C 13 30.386 0.073 . 1 . . . . 110 ARG CB . 11076 1 1178 . 1 1 110 110 ARG CD C 13 43.180 0.000 . 1 . . . . 110 ARG CD . 11076 1 1179 . 1 1 110 110 ARG N N 15 118.945 0.020 . 1 . . . . 110 ARG N . 11076 1 1180 . 1 1 111 111 ASP H H 1 7.941 0.023 . 1 . . . . 111 ASP H . 11076 1 1181 . 1 1 111 111 ASP HA H 1 4.870 0.024 . 1 . . . . 111 ASP HA . 11076 1 1182 . 1 1 111 111 ASP HB2 H 1 2.786 0.000 . 2 . . . . 111 ASP HB2 . 11076 1 1183 . 1 1 111 111 ASP HB3 H 1 2.553 0.004 . 2 . . . . 111 ASP HB3 . 11076 1 1184 . 1 1 111 111 ASP CA C 13 52.275 0.000 . 1 . . . . 111 ASP CA . 11076 1 1185 . 1 1 111 111 ASP CB C 13 42.239 0.019 . 1 . . . . 111 ASP CB . 11076 1 1186 . 1 1 111 111 ASP N N 15 115.072 0.019 . 1 . . . . 111 ASP N . 11076 1 1187 . 1 1 112 112 GLY H H 1 8.842 0.000 . 1 . . . . 112 GLY H . 11076 1 1188 . 1 1 112 112 GLY CA C 13 45.006 0.000 . 1 . . . . 112 GLY CA . 11076 1 1189 . 1 1 112 112 GLY N N 15 110.436 0.000 . 1 . . . . 112 GLY N . 11076 1 1190 . 1 1 113 113 SER H H 1 8.411 0.000 . 1 . . . . 113 SER H . 11076 1 1191 . 1 1 113 113 SER HA H 1 4.188 0.010 . 1 . . . . 113 SER HA . 11076 1 1192 . 1 1 113 113 SER HB2 H 1 3.671 0.006 . 1 . . . . 113 SER HB2 . 11076 1 1193 . 1 1 113 113 SER HB3 H 1 3.671 0.006 . 1 . . . . 113 SER HB3 . 11076 1 1194 . 1 1 113 113 SER C C 13 175.812 0.000 . 1 . . . . 113 SER C . 11076 1 1195 . 1 1 113 113 SER CA C 13 61.683 0.021 . 1 . . . . 113 SER CA . 11076 1 1196 . 1 1 113 113 SER CB C 13 62.700 0.118 . 1 . . . . 113 SER CB . 11076 1 1197 . 1 1 113 113 SER N N 15 115.796 0.000 . 1 . . . . 113 SER N . 11076 1 1198 . 1 1 114 114 TYR H H 1 7.308 0.008 . 1 . . . . 114 TYR H . 11076 1 1199 . 1 1 114 114 TYR HA H 1 4.951 0.015 . 1 . . . . 114 TYR HA . 11076 1 1200 . 1 1 114 114 TYR HB2 H 1 3.335 0.012 . 2 . . . . 114 TYR HB2 . 11076 1 1201 . 1 1 114 114 TYR HB3 H 1 2.875 0.015 . 2 . . . . 114 TYR HB3 . 11076 1 1202 . 1 1 114 114 TYR HD1 H 1 7.236 0.010 . 3 . . . . 114 TYR HD1 . 11076 1 1203 . 1 1 114 114 TYR HD2 H 1 7.236 0.010 . 3 . . . . 114 TYR HD2 . 11076 1 1204 . 1 1 114 114 TYR HE1 H 1 6.926 0.011 . 3 . . . . 114 TYR HE1 . 11076 1 1205 . 1 1 114 114 TYR HE2 H 1 6.926 0.011 . 3 . . . . 114 TYR HE2 . 11076 1 1206 . 1 1 114 114 TYR C C 13 175.644 0.008 . 1 . . . . 114 TYR C . 11076 1 1207 . 1 1 114 114 TYR CA C 13 57.443 0.002 . 1 . . . . 114 TYR CA . 11076 1 1208 . 1 1 114 114 TYR CB C 13 37.835 0.022 . 1 . . . . 114 TYR CB . 11076 1 1209 . 1 1 114 114 TYR CD1 C 13 132.897 0.019 . 3 . . . . 114 TYR CD1 . 11076 1 1210 . 1 1 114 114 TYR CD2 C 13 132.897 0.019 . 3 . . . . 114 TYR CD2 . 11076 1 1211 . 1 1 114 114 TYR CE1 C 13 118.344 0.017 . 3 . . . . 114 TYR CE1 . 11076 1 1212 . 1 1 114 114 TYR CE2 C 13 118.344 0.017 . 3 . . . . 114 TYR CE2 . 11076 1 1213 . 1 1 114 114 TYR N N 15 117.512 0.020 . 1 . . . . 114 TYR N . 11076 1 1214 . 1 1 115 115 ALA H H 1 7.708 0.015 . 1 . . . . 115 ALA H . 11076 1 1215 . 1 1 115 115 ALA HA H 1 3.607 0.006 . 1 . . . . 115 ALA HA . 11076 1 1216 . 1 1 115 115 ALA HB1 H 1 1.207 0.015 . 1 . . . . 115 ALA HB1 . 11076 1 1217 . 1 1 115 115 ALA HB2 H 1 1.207 0.015 . 1 . . . . 115 ALA HB2 . 11076 1 1218 . 1 1 115 115 ALA HB3 H 1 1.207 0.015 . 1 . . . . 115 ALA HB3 . 11076 1 1219 . 1 1 115 115 ALA C C 13 178.079 0.012 . 1 . . . . 115 ALA C . 11076 1 1220 . 1 1 115 115 ALA CA C 13 56.041 0.000 . 1 . . . . 115 ALA CA . 11076 1 1221 . 1 1 115 115 ALA CB C 13 19.864 0.101 . 1 . . . . 115 ALA CB . 11076 1 1222 . 1 1 115 115 ALA N N 15 121.095 0.000 . 1 . . . . 115 ALA N . 11076 1 1223 . 1 1 116 116 TRP H H 1 8.336 0.009 . 1 . . . . 116 TRP H . 11076 1 1224 . 1 1 116 116 TRP HA H 1 4.710 0.000 . 1 . . . . 116 TRP HA . 11076 1 1225 . 1 1 116 116 TRP HB2 H 1 3.258 0.019 . 1 . . . . 116 TRP HB2 . 11076 1 1226 . 1 1 116 116 TRP HB3 H 1 3.258 0.019 . 1 . . . . 116 TRP HB3 . 11076 1 1227 . 1 1 116 116 TRP HD1 H 1 7.152 0.002 . 1 . . . . 116 TRP HD1 . 11076 1 1228 . 1 1 116 116 TRP HE1 H 1 10.009 0.003 . 1 . . . . 116 TRP HE1 . 11076 1 1229 . 1 1 116 116 TRP HE3 H 1 7.460 0.009 . 1 . . . . 116 TRP HE3 . 11076 1 1230 . 1 1 116 116 TRP HH2 H 1 7.241 0.011 . 1 . . . . 116 TRP HH2 . 11076 1 1231 . 1 1 116 116 TRP HZ2 H 1 7.506 0.025 . 1 . . . . 116 TRP HZ2 . 11076 1 1232 . 1 1 116 116 TRP HZ3 H 1 7.137 0.004 . 1 . . . . 116 TRP HZ3 . 11076 1 1233 . 1 1 116 116 TRP C C 13 174.273 0.000 . 1 . . . . 116 TRP C . 11076 1 1234 . 1 1 116 116 TRP CA C 13 57.300 0.000 . 1 . . . . 116 TRP CA . 11076 1 1235 . 1 1 116 116 TRP CB C 13 28.393 0.000 . 1 . . . . 116 TRP CB . 11076 1 1236 . 1 1 116 116 TRP CH2 C 13 124.146 0.019 . 1 . . . . 116 TRP CH2 . 11076 1 1237 . 1 1 116 116 TRP CZ2 C 13 113.798 0.020 . 1 . . . . 116 TRP CZ2 . 11076 1 1238 . 1 1 116 116 TRP N N 15 117.911 0.029 . 1 . . . . 116 TRP N . 11076 1 1239 . 1 1 116 116 TRP NE1 N 15 129.192 0.000 . 1 . . . . 116 TRP NE1 . 11076 1 1240 . 1 1 117 117 GLU H H 1 8.101 0.013 . 1 . . . . 117 GLU H . 11076 1 1241 . 1 1 117 117 GLU HA H 1 4.152 0.002 . 1 . . . . 117 GLU HA . 11076 1 1242 . 1 1 117 117 GLU HB2 H 1 2.057 0.000 . 1 . . . . 117 GLU HB2 . 11076 1 1243 . 1 1 117 117 GLU HB3 H 1 2.057 0.000 . 1 . . . . 117 GLU HB3 . 11076 1 1244 . 1 1 117 117 GLU HG2 H 1 2.325 0.008 . 1 . . . . 117 GLU HG2 . 11076 1 1245 . 1 1 117 117 GLU HG3 H 1 2.325 0.008 . 1 . . . . 117 GLU HG3 . 11076 1 1246 . 1 1 117 117 GLU CA C 13 57.045 0.168 . 1 . . . . 117 GLU CA . 11076 1 1247 . 1 1 117 117 GLU CB C 13 28.922 0.095 . 1 . . . . 117 GLU CB . 11076 1 1248 . 1 1 117 117 GLU N N 15 119.403 0.000 . 1 . . . . 117 GLU N . 11076 1 1249 . 1 1 118 118 ILE H H 1 7.745 0.016 . 1 . . . . 118 ILE H . 11076 1 1250 . 1 1 118 118 ILE HA H 1 3.345 0.000 . 1 . . . . 118 ILE HA . 11076 1 1251 . 1 1 118 118 ILE HB H 1 1.617 0.014 . 1 . . . . 118 ILE HB . 11076 1 1252 . 1 1 118 118 ILE HD11 H 1 0.421 0.012 . 1 . . . . 118 ILE HD11 . 11076 1 1253 . 1 1 118 118 ILE HD12 H 1 0.421 0.012 . 1 . . . . 118 ILE HD12 . 11076 1 1254 . 1 1 118 118 ILE HD13 H 1 0.421 0.012 . 1 . . . . 118 ILE HD13 . 11076 1 1255 . 1 1 118 118 ILE HG12 H 1 1.205 0.000 . 2 . . . . 118 ILE HG12 . 11076 1 1256 . 1 1 118 118 ILE HG13 H 1 0.278 0.020 . 2 . . . . 118 ILE HG13 . 11076 1 1257 . 1 1 118 118 ILE HG21 H 1 0.647 0.005 . 1 . . . . 118 ILE HG21 . 11076 1 1258 . 1 1 118 118 ILE HG22 H 1 0.647 0.005 . 1 . . . . 118 ILE HG22 . 11076 1 1259 . 1 1 118 118 ILE HG23 H 1 0.647 0.005 . 1 . . . . 118 ILE HG23 . 11076 1 1260 . 1 1 118 118 ILE CA C 13 65.415 0.000 . 1 . . . . 118 ILE CA . 11076 1 1261 . 1 1 118 118 ILE CB C 13 37.148 0.000 . 1 . . . . 118 ILE CB . 11076 1 1262 . 1 1 118 118 ILE CD1 C 13 13.825 0.032 . 1 . . . . 118 ILE CD1 . 11076 1 1263 . 1 1 118 118 ILE CG1 C 13 28.881 0.000 . 1 . . . . 118 ILE CG1 . 11076 1 1264 . 1 1 118 118 ILE CG2 C 13 16.917 0.019 . 1 . . . . 118 ILE CG2 . 11076 1 1265 . 1 1 118 118 ILE N N 15 121.165 0.022 . 1 . . . . 118 ILE N . 11076 1 1266 . 1 1 119 119 LYS HA H 1 3.601 0.021 . 1 . . . . 119 LYS HA . 11076 1 1267 . 1 1 119 119 LYS HB2 H 1 1.649 0.024 . 1 . . . . 119 LYS HB2 . 11076 1 1268 . 1 1 119 119 LYS HB3 H 1 1.649 0.024 . 1 . . . . 119 LYS HB3 . 11076 1 1269 . 1 1 119 119 LYS HE2 H 1 2.964 0.000 . 1 . . . . 119 LYS HE2 . 11076 1 1270 . 1 1 119 119 LYS HE3 H 1 2.964 0.000 . 1 . . . . 119 LYS HE3 . 11076 1 1271 . 1 1 119 119 LYS HG2 H 1 1.407 0.000 . 1 . . . . 119 LYS HG2 . 11076 1 1272 . 1 1 119 119 LYS HG3 H 1 1.407 0.000 . 1 . . . . 119 LYS HG3 . 11076 1 1273 . 1 1 119 119 LYS C C 13 177.152 0.000 . 1 . . . . 119 LYS C . 11076 1 1274 . 1 1 119 119 LYS CA C 13 61.026 0.069 . 1 . . . . 119 LYS CA . 11076 1 1275 . 1 1 119 119 LYS CB C 13 30.492 0.000 . 1 . . . . 119 LYS CB . 11076 1 1276 . 1 1 120 120 ASP H H 1 8.104 0.009 . 1 . . . . 120 ASP H . 11076 1 1277 . 1 1 120 120 ASP HA H 1 4.197 0.000 . 1 . . . . 120 ASP HA . 11076 1 1278 . 1 1 120 120 ASP HB2 H 1 2.478 0.000 . 1 . . . . 120 ASP HB2 . 11076 1 1279 . 1 1 120 120 ASP HB3 H 1 2.478 0.000 . 1 . . . . 120 ASP HB3 . 11076 1 1280 . 1 1 120 120 ASP C C 13 178.499 0.022 . 1 . . . . 120 ASP C . 11076 1 1281 . 1 1 120 120 ASP CA C 13 57.283 0.047 . 1 . . . . 120 ASP CA . 11076 1 1282 . 1 1 120 120 ASP CB C 13 39.486 0.028 . 1 . . . . 120 ASP CB . 11076 1 1283 . 1 1 120 120 ASP N N 15 118.355 0.029 . 1 . . . . 120 ASP N . 11076 1 1284 . 1 1 121 121 PHE H H 1 7.590 0.008 . 1 . . . . 121 PHE H . 11076 1 1285 . 1 1 121 121 PHE HA H 1 4.095 0.017 . 1 . . . . 121 PHE HA . 11076 1 1286 . 1 1 121 121 PHE HB2 H 1 3.086 0.012 . 1 . . . . 121 PHE HB2 . 11076 1 1287 . 1 1 121 121 PHE HB3 H 1 3.086 0.012 . 1 . . . . 121 PHE HB3 . 11076 1 1288 . 1 1 121 121 PHE HD1 H 1 7.107 0.062 . 3 . . . . 121 PHE HD1 . 11076 1 1289 . 1 1 121 121 PHE HD2 H 1 7.107 0.062 . 3 . . . . 121 PHE HD2 . 11076 1 1290 . 1 1 121 121 PHE HE1 H 1 6.950 0.011 . 3 . . . . 121 PHE HE1 . 11076 1 1291 . 1 1 121 121 PHE HE2 H 1 6.950 0.011 . 3 . . . . 121 PHE HE2 . 11076 1 1292 . 1 1 121 121 PHE C C 13 178.493 0.000 . 1 . . . . 121 PHE C . 11076 1 1293 . 1 1 121 121 PHE CA C 13 61.157 0.037 . 1 . . . . 121 PHE CA . 11076 1 1294 . 1 1 121 121 PHE CB C 13 38.513 0.003 . 1 . . . . 121 PHE CB . 11076 1 1295 . 1 1 121 121 PHE CD1 C 13 131.481 0.041 . 3 . . . . 121 PHE CD1 . 11076 1 1296 . 1 1 121 121 PHE CD2 C 13 131.481 0.041 . 3 . . . . 121 PHE CD2 . 11076 1 1297 . 1 1 121 121 PHE CE1 C 13 131.499 0.000 . 3 . . . . 121 PHE CE1 . 11076 1 1298 . 1 1 121 121 PHE CE2 C 13 131.499 0.000 . 3 . . . . 121 PHE CE2 . 11076 1 1299 . 1 1 121 121 PHE N N 15 120.441 0.026 . 1 . . . . 121 PHE N . 11076 1 1300 . 1 1 122 122 LEU H H 1 8.371 0.006 . 1 . . . . 122 LEU H . 11076 1 1301 . 1 1 122 122 LEU HA H 1 3.066 0.005 . 1 . . . . 122 LEU HA . 11076 1 1302 . 1 1 122 122 LEU HB2 H 1 1.692 0.000 . 2 . . . . 122 LEU HB2 . 11076 1 1303 . 1 1 122 122 LEU HB3 H 1 0.923 0.008 . 2 . . . . 122 LEU HB3 . 11076 1 1304 . 1 1 122 122 LEU HD11 H 1 0.387 0.035 . 2 . . . . 122 LEU HD11 . 11076 1 1305 . 1 1 122 122 LEU HD12 H 1 0.387 0.035 . 2 . . . . 122 LEU HD12 . 11076 1 1306 . 1 1 122 122 LEU HD13 H 1 0.387 0.035 . 2 . . . . 122 LEU HD13 . 11076 1 1307 . 1 1 122 122 LEU HD21 H 1 0.271 0.006 . 2 . . . . 122 LEU HD21 . 11076 1 1308 . 1 1 122 122 LEU HD22 H 1 0.271 0.006 . 2 . . . . 122 LEU HD22 . 11076 1 1309 . 1 1 122 122 LEU HD23 H 1 0.271 0.006 . 2 . . . . 122 LEU HD23 . 11076 1 1310 . 1 1 122 122 LEU C C 13 178.286 0.002 . 1 . . . . 122 LEU C . 11076 1 1311 . 1 1 122 122 LEU CA C 13 58.336 0.000 . 1 . . . . 122 LEU CA . 11076 1 1312 . 1 1 122 122 LEU CB C 13 41.818 0.000 . 1 . . . . 122 LEU CB . 11076 1 1313 . 1 1 122 122 LEU CD1 C 13 26.693 0.024 . 2 . . . . 122 LEU CD1 . 11076 1 1314 . 1 1 122 122 LEU CD2 C 13 22.600 0.013 . 2 . . . . 122 LEU CD2 . 11076 1 1315 . 1 1 122 122 LEU N N 15 122.282 0.010 . 1 . . . . 122 LEU N . 11076 1 1316 . 1 1 123 123 VAL H H 1 8.299 0.002 . 1 . . . . 123 VAL H . 11076 1 1317 . 1 1 123 123 VAL HA H 1 3.905 0.000 . 1 . . . . 123 VAL HA . 11076 1 1318 . 1 1 123 123 VAL HB H 1 2.140 0.010 . 1 . . . . 123 VAL HB . 11076 1 1319 . 1 1 123 123 VAL HG11 H 1 0.864 0.018 . 1 . . . . 123 VAL HG11 . 11076 1 1320 . 1 1 123 123 VAL HG12 H 1 0.864 0.018 . 1 . . . . 123 VAL HG12 . 11076 1 1321 . 1 1 123 123 VAL HG13 H 1 0.864 0.018 . 1 . . . . 123 VAL HG13 . 11076 1 1322 . 1 1 123 123 VAL HG21 H 1 0.864 0.018 . 1 . . . . 123 VAL HG21 . 11076 1 1323 . 1 1 123 123 VAL HG22 H 1 0.864 0.018 . 1 . . . . 123 VAL HG22 . 11076 1 1324 . 1 1 123 123 VAL HG23 H 1 0.864 0.018 . 1 . . . . 123 VAL HG23 . 11076 1 1325 . 1 1 123 123 VAL C C 13 176.359 0.000 . 1 . . . . 123 VAL C . 11076 1 1326 . 1 1 123 123 VAL CA C 13 64.366 0.017 . 1 . . . . 123 VAL CA . 11076 1 1327 . 1 1 123 123 VAL CB C 13 30.816 0.046 . 1 . . . . 123 VAL CB . 11076 1 1328 . 1 1 123 123 VAL N N 15 109.533 0.023 . 1 . . . . 123 VAL N . 11076 1 1329 . 1 1 124 124 SER H H 1 6.908 0.006 . 1 . . . . 124 SER H . 11076 1 1330 . 1 1 124 124 SER HA H 1 4.379 0.000 . 1 . . . . 124 SER HA . 11076 1 1331 . 1 1 124 124 SER HB2 H 1 3.806 0.000 . 1 . . . . 124 SER HB2 . 11076 1 1332 . 1 1 124 124 SER HB3 H 1 3.806 0.000 . 1 . . . . 124 SER HB3 . 11076 1 1333 . 1 1 124 124 SER C C 13 174.426 0.006 . 1 . . . . 124 SER C . 11076 1 1334 . 1 1 124 124 SER CA C 13 58.581 0.036 . 1 . . . . 124 SER CA . 11076 1 1335 . 1 1 124 124 SER CB C 13 64.031 0.020 . 1 . . . . 124 SER CB . 11076 1 1336 . 1 1 124 124 SER N N 15 112.491 0.041 . 1 . . . . 124 SER N . 11076 1 1337 . 1 1 125 125 GLN H H 1 7.623 0.009 . 1 . . . . 125 GLN H . 11076 1 1338 . 1 1 125 125 GLN HA H 1 4.047 0.013 . 1 . . . . 125 GLN HA . 11076 1 1339 . 1 1 125 125 GLN HE22 H 1 6.141 0.179 . 1 . . . . 125 GLN HE22 . 11076 1 1340 . 1 1 125 125 GLN HG2 H 1 2.658 0.000 . 1 . . . . 125 GLN HG2 . 11076 1 1341 . 1 1 125 125 GLN HG3 H 1 2.658 0.000 . 1 . . . . 125 GLN HG3 . 11076 1 1342 . 1 1 125 125 GLN C C 13 177.128 0.012 . 1 . . . . 125 GLN C . 11076 1 1343 . 1 1 125 125 GLN CA C 13 53.846 0.044 . 1 . . . . 125 GLN CA . 11076 1 1344 . 1 1 125 125 GLN CB C 13 28.116 0.000 . 1 . . . . 125 GLN CB . 11076 1 1345 . 1 1 125 125 GLN N N 15 120.959 0.017 . 1 . . . . 125 GLN N . 11076 1 1346 . 1 1 125 125 GLN NE2 N 15 117.610 0.000 . 1 . . . . 125 GLN NE2 . 11076 1 1347 . 1 1 126 126 ASP H H 1 8.623 0.012 . 1 . . . . 126 ASP H . 11076 1 1348 . 1 1 126 126 ASP HA H 1 4.338 0.012 . 1 . . . . 126 ASP HA . 11076 1 1349 . 1 1 126 126 ASP HB2 H 1 2.683 0.010 . 1 . . . . 126 ASP HB2 . 11076 1 1350 . 1 1 126 126 ASP HB3 H 1 2.683 0.010 . 1 . . . . 126 ASP HB3 . 11076 1 1351 . 1 1 126 126 ASP C C 13 177.391 0.026 . 1 . . . . 126 ASP C . 11076 1 1352 . 1 1 126 126 ASP CA C 13 56.807 0.015 . 1 . . . . 126 ASP CA . 11076 1 1353 . 1 1 126 126 ASP CB C 13 40.726 0.032 . 1 . . . . 126 ASP CB . 11076 1 1354 . 1 1 126 126 ASP N N 15 123.069 0.023 . 1 . . . . 126 ASP N . 11076 1 1355 . 1 1 127 127 ARG H H 1 8.384 0.009 . 1 . . . . 127 ARG H . 11076 1 1356 . 1 1 127 127 ARG N N 15 112.354 0.022 . 1 . . . . 127 ARG N . 11076 1 1357 . 1 1 128 128 CYS C C 13 174.422 0.000 . 1 . . . . 128 CYS C . 11076 1 1358 . 1 1 128 128 CYS CA C 13 59.302 0.000 . 1 . . . . 128 CYS CA . 11076 1 1359 . 1 1 129 129 ALA H H 1 9.251 0.013 . 1 . . . . 129 ALA H . 11076 1 1360 . 1 1 129 129 ALA HA H 1 4.466 0.013 . 1 . . . . 129 ALA HA . 11076 1 1361 . 1 1 129 129 ALA HB1 H 1 1.298 0.010 . 1 . . . . 129 ALA HB1 . 11076 1 1362 . 1 1 129 129 ALA HB2 H 1 1.298 0.010 . 1 . . . . 129 ALA HB2 . 11076 1 1363 . 1 1 129 129 ALA HB3 H 1 1.298 0.010 . 1 . . . . 129 ALA HB3 . 11076 1 1364 . 1 1 129 129 ALA C C 13 178.849 0.000 . 1 . . . . 129 ALA C . 11076 1 1365 . 1 1 129 129 ALA CA C 13 54.087 0.048 . 1 . . . . 129 ALA CA . 11076 1 1366 . 1 1 129 129 ALA CB C 13 19.441 0.025 . 1 . . . . 129 ALA CB . 11076 1 1367 . 1 1 129 129 ALA N N 15 132.292 0.021 . 1 . . . . 129 ALA N . 11076 1 1368 . 1 1 130 130 GLU H H 1 7.543 0.006 . 1 . . . . 130 GLU H . 11076 1 1369 . 1 1 130 130 GLU C C 13 173.733 0.002 . 1 . . . . 130 GLU C . 11076 1 1370 . 1 1 130 130 GLU CA C 13 55.526 0.022 . 1 . . . . 130 GLU CA . 11076 1 1371 . 1 1 130 130 GLU CB C 13 32.308 0.083 . 1 . . . . 130 GLU CB . 11076 1 1372 . 1 1 130 130 GLU N N 15 114.183 0.035 . 1 . . . . 130 GLU N . 11076 1 1373 . 1 1 131 131 VAL H H 1 8.722 0.007 . 1 . . . . 131 VAL H . 11076 1 1374 . 1 1 131 131 VAL HA H 1 5.036 0.015 . 1 . . . . 131 VAL HA . 11076 1 1375 . 1 1 131 131 VAL HB H 1 1.833 0.019 . 1 . . . . 131 VAL HB . 11076 1 1376 . 1 1 131 131 VAL HG11 H 1 0.861 0.014 . 1 . . . . 131 VAL HG11 . 11076 1 1377 . 1 1 131 131 VAL HG12 H 1 0.861 0.014 . 1 . . . . 131 VAL HG12 . 11076 1 1378 . 1 1 131 131 VAL HG13 H 1 0.861 0.014 . 1 . . . . 131 VAL HG13 . 11076 1 1379 . 1 1 131 131 VAL HG21 H 1 0.861 0.014 . 1 . . . . 131 VAL HG21 . 11076 1 1380 . 1 1 131 131 VAL HG22 H 1 0.861 0.014 . 1 . . . . 131 VAL HG22 . 11076 1 1381 . 1 1 131 131 VAL HG23 H 1 0.861 0.014 . 1 . . . . 131 VAL HG23 . 11076 1 1382 . 1 1 131 131 VAL C C 13 175.372 0.015 . 1 . . . . 131 VAL C . 11076 1 1383 . 1 1 131 131 VAL CA C 13 60.704 0.072 . 1 . . . . 131 VAL CA . 11076 1 1384 . 1 1 131 131 VAL CB C 13 35.554 0.091 . 1 . . . . 131 VAL CB . 11076 1 1385 . 1 1 131 131 VAL N N 15 121.794 0.031 . 1 . . . . 131 VAL N . 11076 1 1386 . 1 1 132 132 THR H H 1 9.484 0.009 . 1 . . . . 132 THR H . 11076 1 1387 . 1 1 132 132 THR HA H 1 4.408 0.000 . 1 . . . . 132 THR HA . 11076 1 1388 . 1 1 132 132 THR HB H 1 4.290 0.006 . 1 . . . . 132 THR HB . 11076 1 1389 . 1 1 132 132 THR HG21 H 1 1.257 0.007 . 1 . . . . 132 THR HG21 . 11076 1 1390 . 1 1 132 132 THR HG22 H 1 1.257 0.007 . 1 . . . . 132 THR HG22 . 11076 1 1391 . 1 1 132 132 THR HG23 H 1 1.257 0.007 . 1 . . . . 132 THR HG23 . 11076 1 1392 . 1 1 132 132 THR C C 13 173.373 0.000 . 1 . . . . 132 THR C . 11076 1 1393 . 1 1 132 132 THR CA C 13 61.803 0.065 . 1 . . . . 132 THR CA . 11076 1 1394 . 1 1 132 132 THR CB C 13 69.957 0.020 . 1 . . . . 132 THR CB . 11076 1 1395 . 1 1 132 132 THR CG2 C 13 21.802 0.000 . 1 . . . . 132 THR CG2 . 11076 1 1396 . 1 1 132 132 THR N N 15 123.249 0.026 . 1 . . . . 132 THR N . 11076 1 1397 . 1 1 133 133 LEU H H 1 8.977 0.015 . 1 . . . . 133 LEU H . 11076 1 1398 . 1 1 133 133 LEU HA H 1 4.868 0.013 . 1 . . . . 133 LEU HA . 11076 1 1399 . 1 1 133 133 LEU HB2 H 1 1.901 0.000 . 2 . . . . 133 LEU HB2 . 11076 1 1400 . 1 1 133 133 LEU HB3 H 1 1.388 0.000 . 2 . . . . 133 LEU HB3 . 11076 1 1401 . 1 1 133 133 LEU HD11 H 1 0.821 0.007 . 2 . . . . 133 LEU HD11 . 11076 1 1402 . 1 1 133 133 LEU HD12 H 1 0.821 0.007 . 2 . . . . 133 LEU HD12 . 11076 1 1403 . 1 1 133 133 LEU HD13 H 1 0.821 0.007 . 2 . . . . 133 LEU HD13 . 11076 1 1404 . 1 1 133 133 LEU HD21 H 1 0.352 0.015 . 2 . . . . 133 LEU HD21 . 11076 1 1405 . 1 1 133 133 LEU HD22 H 1 0.352 0.015 . 2 . . . . 133 LEU HD22 . 11076 1 1406 . 1 1 133 133 LEU HD23 H 1 0.352 0.015 . 2 . . . . 133 LEU HD23 . 11076 1 1407 . 1 1 133 133 LEU HG H 1 1.512 0.000 . 1 . . . . 133 LEU HG . 11076 1 1408 . 1 1 133 133 LEU C C 13 173.275 0.000 . 1 . . . . 133 LEU C . 11076 1 1409 . 1 1 133 133 LEU CA C 13 54.175 0.019 . 1 . . . . 133 LEU CA . 11076 1 1410 . 1 1 133 133 LEU CB C 13 45.203 0.016 . 1 . . . . 133 LEU CB . 11076 1 1411 . 1 1 133 133 LEU CD1 C 13 24.553 0.000 . 2 . . . . 133 LEU CD1 . 11076 1 1412 . 1 1 133 133 LEU CD2 C 13 25.348 0.025 . 2 . . . . 133 LEU CD2 . 11076 1 1413 . 1 1 133 133 LEU N N 15 127.493 0.008 . 1 . . . . 133 LEU N . 11076 1 1414 . 1 1 134 134 GLU H H 1 8.316 0.012 . 1 . . . . 134 GLU H . 11076 1 1415 . 1 1 134 134 GLU N N 15 123.597 0.026 . 1 . . . . 134 GLU N . 11076 1 1416 . 1 1 135 135 GLY H H 1 8.758 0.000 . 1 . . . . 135 GLY H . 11076 1 1417 . 1 1 135 135 GLY CA C 13 45.551 0.000 . 1 . . . . 135 GLY CA . 11076 1 1418 . 1 1 135 135 GLY N N 15 104.929 0.000 . 1 . . . . 135 GLY N . 11076 1 1419 . 1 1 136 136 GLN H H 1 8.078 0.019 . 1 . . . . 136 GLN H . 11076 1 1420 . 1 1 136 136 GLN HA H 1 4.312 0.000 . 1 . . . . 136 GLN HA . 11076 1 1421 . 1 1 136 136 GLN HB2 H 1 2.082 0.009 . 1 . . . . 136 GLN HB2 . 11076 1 1422 . 1 1 136 136 GLN HB3 H 1 2.082 0.009 . 1 . . . . 136 GLN HB3 . 11076 1 1423 . 1 1 136 136 GLN HE21 H 1 6.881 0.000 . 1 . . . . 136 GLN HE21 . 11076 1 1424 . 1 1 136 136 GLN HE22 H 1 7.514 0.000 . 1 . . . . 136 GLN HE22 . 11076 1 1425 . 1 1 136 136 GLN CB C 13 29.724 0.043 . 1 . . . . 136 GLN CB . 11076 1 1426 . 1 1 136 136 GLN N N 15 112.749 0.000 . 1 . . . . 136 GLN N . 11076 1 1427 . 1 1 136 136 GLN NE2 N 15 112.880 0.000 . 1 . . . . 136 GLN NE2 . 11076 1 1428 . 1 1 138 138 TYR HE1 H 1 6.950 0.028 . 3 . . . . 138 TYR HE1 . 11076 1 1429 . 1 1 138 138 TYR HE2 H 1 6.950 0.028 . 3 . . . . 138 TYR HE2 . 11076 1 1430 . 1 1 139 139 PRO HA H 1 4.647 0.026 . 1 . . . . 139 PRO HA . 11076 1 1431 . 1 1 139 139 PRO HB2 H 1 2.321 0.032 . 2 . . . . 139 PRO HB2 . 11076 1 1432 . 1 1 139 139 PRO HB3 H 1 2.130 0.003 . 2 . . . . 139 PRO HB3 . 11076 1 1433 . 1 1 139 139 PRO HD2 H 1 3.687 0.000 . 1 . . . . 139 PRO HD2 . 11076 1 1434 . 1 1 139 139 PRO HD3 H 1 3.687 0.000 . 1 . . . . 139 PRO HD3 . 11076 1 1435 . 1 1 139 139 PRO C C 13 177.187 0.000 . 1 . . . . 139 PRO C . 11076 1 1436 . 1 1 139 139 PRO CA C 13 62.682 0.046 . 1 . . . . 139 PRO CA . 11076 1 1437 . 1 1 139 139 PRO CB C 13 32.602 0.068 . 1 . . . . 139 PRO CB . 11076 1 1438 . 1 1 140 140 GLY H H 1 7.731 0.007 . 1 . . . . 140 GLY H . 11076 1 1439 . 1 1 140 140 GLY HA2 H 1 4.198 0.000 . 2 . . . . 140 GLY HA2 . 11076 1 1440 . 1 1 140 140 GLY HA3 H 1 3.941 0.000 . 2 . . . . 140 GLY HA3 . 11076 1 1441 . 1 1 140 140 GLY C C 13 173.545 0.000 . 1 . . . . 140 GLY C . 11076 1 1442 . 1 1 140 140 GLY CA C 13 44.445 0.010 . 1 . . . . 140 GLY CA . 11076 1 1443 . 1 1 140 140 GLY N N 15 107.435 0.016 . 1 . . . . 140 GLY N . 11076 1 1444 . 1 1 141 141 LYS H H 1 8.150 0.006 . 1 . . . . 141 LYS H . 11076 1 1445 . 1 1 141 141 LYS HA H 1 4.111 0.004 . 1 . . . . 141 LYS HA . 11076 1 1446 . 1 1 141 141 LYS HB2 H 1 1.743 0.010 . 1 . . . . 141 LYS HB2 . 11076 1 1447 . 1 1 141 141 LYS HB3 H 1 1.743 0.010 . 1 . . . . 141 LYS HB3 . 11076 1 1448 . 1 1 141 141 LYS HD2 H 1 1.664 0.000 . 1 . . . . 141 LYS HD2 . 11076 1 1449 . 1 1 141 141 LYS HD3 H 1 1.664 0.000 . 1 . . . . 141 LYS HD3 . 11076 1 1450 . 1 1 141 141 LYS HE2 H 1 2.945 0.000 . 1 . . . . 141 LYS HE2 . 11076 1 1451 . 1 1 141 141 LYS HE3 H 1 2.945 0.000 . 1 . . . . 141 LYS HE3 . 11076 1 1452 . 1 1 141 141 LYS HG2 H 1 1.392 0.000 . 1 . . . . 141 LYS HG2 . 11076 1 1453 . 1 1 141 141 LYS HG3 H 1 1.392 0.000 . 1 . . . . 141 LYS HG3 . 11076 1 1454 . 1 1 141 141 LYS CA C 13 58.021 0.076 . 1 . . . . 141 LYS CA . 11076 1 1455 . 1 1 141 141 LYS CB C 13 33.391 0.025 . 1 . . . . 141 LYS CB . 11076 1 1456 . 1 1 141 141 LYS N N 15 126.642 0.003 . 1 . . . . 141 LYS N . 11076 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 11076 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 599.97994980 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Pf1 phages as anisotropic medium' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '2D 1H-15N HSQC coupled' 3 $sample_3 anisotropic 11076 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 3 $TOPSPIN . . 11076 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHN . 1 1 2 2 ASP H H 1 . . 1 1 2 2 ASP N N 15 . -1.972 . . 3 . . . . 2 D H . 2 D N 11076 1 2 DHN . 1 1 7 7 ASN H H 1 . . 1 1 7 7 ASN N N 15 . -2.799 . . 3 . . . . 7 N H . 7 N N 11076 1 3 DHN . 1 1 13 13 ARG H H 1 . . 1 1 13 13 ARG N N 15 . -3.603 . . 3 . . . . 13 R H . 13 R N 11076 1 4 DHN . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY N N 15 . 1.7928 . . 3 . . . . 27 G H . 27 G N 11076 1 5 DHN . 1 1 29 29 LEU H H 1 . . 1 1 29 29 LEU N N 15 . -3.7329 . . 3 . . . . 29 L H . 29 L N 11076 1 6 DHN . 1 1 31 31 GLU H H 1 . . 1 1 31 31 GLU N N 15 . -0.9263 . . 3 . . . . 31 E H . 31 E N 11076 1 7 DHN . 1 1 36 36 SER H H 1 . . 1 1 36 36 SER N N 15 . -1.0756 . . 3 . . . . 36 S H . 36 S N 11076 1 8 DHN . 1 1 37 37 ALA H H 1 . . 1 1 37 37 ALA N N 15 . 2.4202 . . 3 . . . . 37 A H . 37 A N 11076 1 9 DHN . 1 1 40 40 ASP H H 1 . . 1 1 40 40 ASP N N 15 . 2.8755 . . 3 . . . . 40 D H . 40 D N 11076 1 10 DHN . 1 1 42 42 SER H H 1 . . 1 1 42 42 SER N N 15 . 3.6174 . . 3 . . . . 42 S H . 42 S N 11076 1 11 DHN . 1 1 47 47 GLY H H 1 . . 1 1 47 47 GLY N N 15 . 3.1673 . . 3 . . . . 47 G H . 47 G N 11076 1 12 DHN . 1 1 50 50 GLU H H 1 . . 1 1 50 50 GLU N N 15 . -1.1055 . . 3 . . . . 50 E H . 50 E N 11076 1 13 DHN . 1 1 51 51 SER H H 1 . . 1 1 51 51 SER N N 15 . -1.1645 . . 3 . . . . 51 S H . 51 S N 11076 1 14 DHN . 1 1 66 66 VAL H H 1 . . 1 1 66 66 VAL N N 15 . 2.5247 . . 3 . . . . 66 V H . 66 V N 11076 1 15 DHN . 1 1 74 74 GLU H H 1 . . 1 1 74 74 GLU N N 15 . 0.500 . . 3 . . . . 74 E H . 74 E N 11076 1 16 DHN . 1 1 78 78 GLU H H 1 . . 1 1 78 78 GLU N N 15 . 0.2839 . . 3 . . . . 78 E H . 78 E N 11076 1 17 DHN . 1 1 81 81 THR H H 1 . . 1 1 81 81 THR N N 15 . 0.792 . . 3 . . . . 81 T H . 81 T N 11076 1 18 DHN . 1 1 85 85 GLN H H 1 . . 1 1 85 85 GLN N N 15 . 1.5687 . . 3 . . . . 85 Q H . 85 Q N 11076 1 19 DHN . 1 1 86 86 GLY H H 1 . . 1 1 86 86 GLY N N 15 . 2.5024 . . 3 . . . . 86 G H . 86 G N 11076 1 20 DHN . 1 1 88 88 LEU H H 1 . . 1 1 88 88 LEU N N 15 . 0.314 . . 3 . . . . 88 L H . 88 L N 11076 1 21 DHN . 1 1 89 89 PHE H H 1 . . 1 1 89 89 PHE N N 15 . -0.545 . . 3 . . . . 89 F H . 89 F N 11076 1 22 DHN . 1 1 98 98 PHE H H 1 . . 1 1 98 98 PHE N N 15 . 3.272 . . 3 . . . . 98 F H . 98 F N 11076 1 23 DHN . 1 1 103 103 ASP H H 1 . . 1 1 103 103 ASP N N 15 . 0.822 . . 3 . . . . 103 D H . 103 D N 11076 1 24 DHN . 1 1 104 104 ARG H H 1 . . 1 1 104 104 ARG N N 15 . 0.896 . . 3 . . . . 104 R H . 104 R N 11076 1 25 DHN . 1 1 105 105 ALA H H 1 . . 1 1 105 105 ALA N N 15 . -0.8367 . . 3 . . . . 105 A H . 105 A N 11076 1 26 DHN . 1 1 106 106 ILE H H 1 . . 1 1 106 106 ILE N N 15 . 3.698 . . 3 . . . . 106 I H . 106 I N 11076 1 27 DHN . 1 1 114 114 TYR H H 1 . . 1 1 114 114 TYR N N 15 . -3.856 . . 3 . . . . 114 Y H . 114 Y N 11076 1 28 DHN . 1 1 121 121 PHE H H 1 . . 1 1 121 121 PHE N N 15 . -6.589 . . 3 . . . . 121 F H . 121 F N 11076 1 29 DHN . 1 1 125 125 GLN H H 1 . . 1 1 125 125 GLN N N 15 . 2.824 . . 3 . . . . 125 Q H . 125 Q N 11076 1 30 DHN . 1 1 126 126 ASP H H 1 . . 1 1 126 126 ASP N N 15 . -2.0033 . . 3 . . . . 126 D H . 126 D N 11076 1 31 DHN . 1 1 127 127 ARG H H 1 . . 1 1 127 127 ARG N N 15 . 0.5155 . . 3 . . . . 127 R H . 127 R N 11076 1 32 DHN . 1 1 129 129 ALA H H 1 . . 1 1 129 129 ALA N N 15 . 0.5079 . . 3 . . . . 129 A H . 129 A N 11076 1 33 DHN . 1 1 132 132 THR H H 1 . . 1 1 132 132 THR N N 15 . 2.5771 . . 3 . . . . 132 T H . 132 T N 11076 1 34 DHN . 1 1 133 133 LEU H H 1 . . 1 1 133 133 LEU N N 15 . 3.025 . . 3 . . . . 133 L H . 133 L N 11076 1 35 DHN . 1 1 116 116 TRP HE1 H 1 . . 1 1 116 116 TRP NE1 N 15 . -2.0169 . . 3 . . . . 116 W HE1 . 116 W NE1 11076 1 36 DHN . 1 1 18 18 TRP HE1 H 1 . . 1 1 18 18 TRP NE1 N 15 . 5.3783 . . 3 . . . . 18 W HE1 . 18 W NE1 11076 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 11076 _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 599.97994980 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details 'T1-delay in ms: 12, 52, 102, 152, 202, 302, 402, 602, 902, 2002, 5002' _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 15 '2D 1H-15N HSQC 15N_T1-edited' 3 $sample_3 isotropic 11076 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $SPARKY . . 11076 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 ASP N N 15 222.2 14.9 . . 2 D N 11076 1 2 . 1 1 3 3 ILE N N 15 176 15.7 . . 3 I N 11076 1 3 . 1 1 4 4 ARG N N 15 154.3 7.07 . . 4 R N 11076 1 4 . 1 1 5 5 ASP N N 15 152 18.8 . . 5 D N 11076 1 5 . 1 1 6 6 TYR N N 15 161.4 10.4 . . 6 Y N 11076 1 6 . 1 1 7 7 ASN N N 15 177.3 13.4 . . 7 N N 11076 1 7 . 1 1 9 9 ALA N N 15 173.1 19.6 . . 9 A N 11076 1 8 . 1 1 11 11 MET N N 15 173.8 14 . . 11 M N 11076 1 9 . 1 1 12 12 ALA N N 15 176.1 17.6 . . 12 A N 11076 1 10 . 1 1 13 13 ARG N N 15 175.1 9.79 . . 13 R N 11076 1 11 . 1 1 21 21 ASP N N 15 164.7 13.5 . . 21 D N 11076 1 12 . 1 1 22 22 ASP N N 15 157.8 11.6 . . 22 D N 11076 1 13 . 1 1 23 23 ASP N N 15 157.3 11.8 . . 23 D N 11076 1 14 . 1 1 24 24 ILE N N 15 151.5 6.11 . . 24 I N 11076 1 15 . 1 1 25 25 GLU N N 15 141.4 9.54 . . 25 E N 11076 1 16 . 1 1 26 26 GLU N N 15 149.1 5.28 . . 26 E N 11076 1 17 . 1 1 27 27 GLY N N 15 142.7 5.8 . . 27 G N 11076 1 18 . 1 1 28 28 ASP N N 15 155.4 3.93 . . 28 D N 11076 1 19 . 1 1 29 29 LEU N N 15 147.9 3.51 . . 29 L N 11076 1 20 . 1 1 31 31 GLU N N 15 139.1 5.33 . . 31 E N 11076 1 21 . 1 1 32 32 HIS N N 15 125.5 9.57 . . 32 H N 11076 1 22 . 1 1 33 33 LYS N N 15 137.8 7.76 . . 33 K N 11076 1 23 . 1 1 34 34 ARG N N 15 133.9 5.93 . . 34 R N 11076 1 24 . 1 1 36 36 SER N N 15 146.8 7.61 . . 36 S N 11076 1 25 . 1 1 37 37 ALA N N 15 166.4 8.74 . . 37 A N 11076 1 26 . 1 1 40 40 ASP N N 15 155 10.2 . . 40 D N 11076 1 27 . 1 1 41 41 PHE N N 15 158.7 11.1 . . 41 F N 11076 1 28 . 1 1 42 42 SER N N 15 147.4 3.82 . . 42 S N 11076 1 29 . 1 1 45 45 ASP N N 15 158.2 6.33 . . 45 D N 11076 1 30 . 1 1 47 47 GLY N N 15 160.6 10.2 . . 47 G N 11076 1 31 . 1 1 48 48 LYS N N 15 179.8 21.1 . . 48 K N 11076 1 32 . 1 1 50 50 GLU N N 15 157.7 7.85 . . 50 E N 11076 1 33 . 1 1 51 51 SER N N 15 154.7 7.06 . . 51 S N 11076 1 34 . 1 1 52 52 ILE N N 15 174 12.5 . . 52 I N 11076 1 35 . 1 1 53 53 LEU N N 15 174.8 17.4 . . 53 L N 11076 1 36 . 1 1 54 54 LYS N N 15 170.5 9.03 . . 54 K N 11076 1 37 . 1 1 55 55 MET N N 15 220.7 22.5 . . 55 M N 11076 1 38 . 1 1 62 62 LEU N N 15 224.4 29.5 . . 62 L N 11076 1 39 . 1 1 65 65 PHE N N 15 204.7 49.6 . . 65 F N 11076 1 40 . 1 1 66 66 VAL N N 15 200.1 18.6 . . 66 V N 11076 1 41 . 1 1 67 67 THR N N 15 208.8 22.9 . . 67 T N 11076 1 42 . 1 1 68 68 VAL N N 15 213.2 11.2 . . 68 V N 11076 1 43 . 1 1 69 69 SER N N 15 206.5 18 . . 69 S N 11076 1 44 . 1 1 70 70 GLY N N 15 194.2 12.2 . . 70 G N 11076 1 45 . 1 1 71 71 ASN N N 15 205.6 9.86 . . 71 N N 11076 1 46 . 1 1 73 73 THR N N 15 223.2 17.6 . . 73 T N 11076 1 47 . 1 1 74 74 GLU N N 15 209.2 8.13 . . 74 E N 11076 1 48 . 1 1 75 75 LYS N N 15 215.8 15.7 . . 75 K N 11076 1 49 . 1 1 78 78 GLU N N 15 209 26 . . 78 E N 11076 1 50 . 1 1 79 79 GLU N N 15 212.2 11.7 . . 79 E N 11076 1 51 . 1 1 81 81 THR N N 15 210.2 11.9 . . 81 T N 11076 1 52 . 1 1 82 82 SER N N 15 245.4 21.5 . . 82 S N 11076 1 53 . 1 1 83 83 LEU N N 15 200 9.25 . . 83 L N 11076 1 54 . 1 1 85 85 GLN N N 15 208.5 17 . . 85 Q N 11076 1 55 . 1 1 86 86 GLY N N 15 205.3 11.6 . . 86 G N 11076 1 56 . 1 1 87 87 SER N N 15 230.8 15 . . 87 S N 11076 1 57 . 1 1 88 88 LEU N N 15 211.6 18.5 . . 88 L N 11076 1 58 . 1 1 89 89 PHE N N 15 205.4 11.2 . . 89 F N 11076 1 59 . 1 1 90 90 ASN N N 15 194.4 12.6 . . 90 N N 11076 1 60 . 1 1 91 91 ALA N N 15 215.5 10.9 . . 91 A N 11076 1 61 . 1 1 92 92 ASN N N 15 209.7 13.8 . . 92 N N 11076 1 62 . 1 1 93 93 TYR N N 15 236.8 16.5 . . 93 Y N 11076 1 63 . 1 1 95 95 VAL N N 15 228.3 18.9 . . 95 V N 11076 1 64 . 1 1 96 96 GLN N N 15 223.3 17 . . 96 Q N 11076 1 65 . 1 1 98 98 PHE N N 15 185.2 19.3 . . 98 F N 11076 1 66 . 1 1 101 101 GLY N N 15 174.4 6.95 . . 101 G N 11076 1 67 . 1 1 102 102 SER N N 15 185.8 15.4 . . 102 S N 11076 1 68 . 1 1 103 103 ASP N N 15 194.9 14.4 . . 103 D N 11076 1 69 . 1 1 104 104 ARG N N 15 197.3 16 . . 104 R N 11076 1 70 . 1 1 105 105 ALA N N 15 211.7 28.1 . . 105 A N 11076 1 71 . 1 1 106 106 ILE N N 15 241.2 19.9 . . 106 I N 11076 1 72 . 1 1 108 108 MET N N 15 212.1 6.73 . . 108 M N 11076 1 73 . 1 1 109 109 LEU N N 15 182.4 20.9 . . 109 L N 11076 1 74 . 1 1 110 110 ARG N N 15 171.2 12.6 . . 110 R N 11076 1 75 . 1 1 111 111 ASP N N 15 218.3 21 . . 111 D N 11076 1 76 . 1 1 114 114 TYR N N 15 221 13.9 . . 114 Y N 11076 1 77 . 1 1 116 116 TRP N N 15 187.7 10.9 . . 116 W N 11076 1 78 . 1 1 117 117 GLU N N 15 167.7 24.4 . . 117 E N 11076 1 79 . 1 1 120 120 ASP N N 15 233.3 21.4 . . 120 D N 11076 1 80 . 1 1 121 121 PHE N N 15 231.9 12 . . 121 F N 11076 1 81 . 1 1 123 123 VAL N N 15 205.5 23.4 . . 123 V N 11076 1 82 . 1 1 124 124 SER N N 15 213.4 11.3 . . 124 S N 11076 1 83 . 1 1 125 125 GLN N N 15 213.8 10.7 . . 125 Q N 11076 1 84 . 1 1 126 126 ASP N N 15 210.8 5.83 . . 126 D N 11076 1 85 . 1 1 127 127 ARG N N 15 208.1 22.5 . . 127 R N 11076 1 86 . 1 1 129 129 ALA N N 15 209.1 17.9 . . 129 A N 11076 1 87 . 1 1 130 130 GLU N N 15 203.1 11 . . 130 E N 11076 1 88 . 1 1 131 131 VAL N N 15 216.1 19.4 . . 131 V N 11076 1 89 . 1 1 132 132 THR N N 15 186.2 10.6 . . 132 T N 11076 1 90 . 1 1 133 133 LEU N N 15 239.6 51.5 . . 133 L N 11076 1 91 . 1 1 134 134 GLU N N 15 196 23 . . 134 E N 11076 1 92 . 1 1 136 136 GLN N N 15 148.2 20.6 . . 136 Q N 11076 1 93 . 1 1 140 140 GLY N N 15 203.5 22.9 . . 140 G N 11076 1 94 . 1 1 141 141 LYS N N 15 183.1 12.8 . . 141 K N 11076 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 11076 _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 . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 599.97994980 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'T2-delay in ms: 6, 10, 18, 26, 34, 42, 82, 122, 162, 202, 242' _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 16 '2D 1H-15N HSQC 15N_T2-edited' 3 $sample_3 isotropic 11076 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $SPARKY . . 11076 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 ASP N N 15 82.2 13.5 . . . . 2 D N 11076 1 2 . 1 1 3 3 ILE N N 15 45.27 3.14 . . . . 3 I N 11076 1 3 . 1 1 4 4 ARG N N 15 21.06 1.78 . . . . 4 R N 11076 1 4 . 1 1 5 5 ASP N N 15 24.49 1.57 . . . . 5 D N 11076 1 5 . 1 1 6 6 TYR N N 15 19.3 1.95 . . . . 6 Y N 11076 1 6 . 1 1 7 7 ASN N N 15 36.15 3.94 . . . . 7 N N 11076 1 7 . 1 1 9 9 ALA N N 15 24.96 3.34 . . . . 9 A N 11076 1 8 . 1 1 11 11 MET N N 15 19.27 1.63 . . . . 11 M N 11076 1 9 . 1 1 12 12 ALA N N 15 18.99 2.5 . . . . 12 A N 11076 1 10 . 1 1 13 13 ARG N N 15 15.45 0.473 . . . . 13 R N 11076 1 11 . 1 1 21 21 ASP N N 15 20.41 1.28 . . . . 21 D N 11076 1 12 . 1 1 22 22 ASP N N 15 33.3 2.92 . . . . 22 D N 11076 1 13 . 1 1 23 23 ASP N N 15 37.68 2.56 . . . . 23 D N 11076 1 14 . 1 1 24 24 ILE N N 15 41.21 1.62 . . . . 24 I N 11076 1 15 . 1 1 25 25 GLU N N 15 43.37 3.04 . . . . 25 E N 11076 1 16 . 1 1 26 26 GLU N N 15 47 3.08 . . . . 26 E N 11076 1 17 . 1 1 27 27 GLY N N 15 59.23 3.77 . . . . 27 G N 11076 1 18 . 1 1 28 28 ASP N N 15 61.61 3.16 . . . . 28 D N 11076 1 19 . 1 1 29 29 LEU N N 15 56.03 4.28 . . . . 29 L N 11076 1 20 . 1 1 31 31 GLU N N 15 46.28 4.87 . . . . 31 E N 11076 1 21 . 1 1 32 32 HIS N N 15 42.05 4.09 . . . . 32 H N 11076 1 22 . 1 1 33 33 LYS N N 15 46.15 2.85 . . . . 33 K N 11076 1 23 . 1 1 34 34 ARG N N 15 47.03 2.11 . . . . 34 R N 11076 1 24 . 1 1 36 36 SER N N 15 29.94 1.14 . . . . 36 S N 11076 1 25 . 1 1 37 37 ALA N N 15 50.74 1.71 . . . . 37 A N 11076 1 26 . 1 1 40 40 ASP N N 15 38.98 2.04 . . . . 40 D N 11076 1 27 . 1 1 41 41 PHE N N 15 26.21 2.93 . . . . 41 F N 11076 1 28 . 1 1 42 42 SER N N 15 45.83 3.97 . . . . 42 S N 11076 1 29 . 1 1 45 45 ASP N N 15 35.33 2.85 . . . . 45 D N 11076 1 30 . 1 1 47 47 GLY N N 15 19.52 1.88 . . . . 47 G N 11076 1 31 . 1 1 48 48 LYS N N 15 22.68 1.9 . . . . 48 K N 11076 1 32 . 1 1 50 50 GLU N N 15 15.8 1.24 . . . . 50 E N 11076 1 33 . 1 1 51 51 SER N N 15 20.23 1.1 . . . . 51 S N 11076 1 34 . 1 1 52 52 ILE N N 15 24.34 1.63 . . . . 52 I N 11076 1 35 . 1 1 53 53 LEU N N 15 13.44 1.5 . . . . 53 L N 11076 1 36 . 1 1 54 54 LYS N N 15 12.11 2.31 . . . . 54 K N 11076 1 37 . 1 1 55 55 MET N N 15 9.156 0.355 . . . . 55 M N 11076 1 38 . 1 1 62 62 LEU N N 15 14.44 2.24 . . . . 62 L N 11076 1 39 . 1 1 65 65 PHE N N 15 6.83 0.773 . . . . 65 F N 11076 1 40 . 1 1 66 66 VAL N N 15 9.197 0.592 . . . . 66 V N 11076 1 41 . 1 1 67 67 THR N N 15 13.11 0.709 . . . . 67 T N 11076 1 42 . 1 1 68 68 VAL N N 15 12.66 0.949 . . . . 68 V N 11076 1 43 . 1 1 69 69 SER N N 15 11.83 1.93 . . . . 69 S N 11076 1 44 . 1 1 70 70 GLY N N 15 11.13 0.607 . . . . 70 G N 11076 1 45 . 1 1 71 71 ASN N N 15 13.08 0.665 . . . . 71 N N 11076 1 46 . 1 1 73 73 THR N N 15 11.96 0.72 . . . . 73 T N 11076 1 47 . 1 1 74 74 GLU N N 15 13.02 0.98 . . . . 74 E N 11076 1 48 . 1 1 75 75 LYS N N 15 12.77 1.27 . . . . 75 K N 11076 1 49 . 1 1 78 78 GLU N N 15 12.41 0.722 . . . . 78 E N 11076 1 50 . 1 1 79 79 GLU N N 15 14.87 0.527 . . . . 79 E N 11076 1 51 . 1 1 81 81 THR N N 15 12.36 0.456 . . . . 81 T N 11076 1 52 . 1 1 82 82 SER N N 15 13.09 1.3 . . . . 82 S N 11076 1 53 . 1 1 83 83 LEU N N 15 12.37 0.374 . . . . 83 L N 11076 1 54 . 1 1 85 85 GLN N N 15 12.71 0.637 . . . . 85 Q N 11076 1 55 . 1 1 86 86 GLY N N 15 10.92 0.966 . . . . 86 G N 11076 1 56 . 1 1 87 87 SER N N 15 11.05 0.701 . . . . 87 S N 11076 1 57 . 1 1 88 88 LEU N N 15 16.79 2.21 . . . . 88 L N 11076 1 58 . 1 1 89 89 PHE N N 15 13.54 0.733 . . . . 89 F N 11076 1 59 . 1 1 90 90 ASN N N 15 10.08 1.86 . . . . 90 N N 11076 1 60 . 1 1 91 91 ALA N N 15 13.01 1.09 . . . . 91 A N 11076 1 61 . 1 1 92 92 ASN N N 15 13.32 0.698 . . . . 92 N N 11076 1 62 . 1 1 93 93 TYR N N 15 13.15 1.32 . . . . 93 Y N 11076 1 63 . 1 1 95 95 VAL N N 15 13.65 0.608 . . . . 95 V N 11076 1 64 . 1 1 96 96 GLN N N 15 12.06 0.747 . . . . 96 Q N 11076 1 65 . 1 1 98 98 PHE N N 15 13.27 1.5 . . . . 98 F N 11076 1 66 . 1 1 101 101 GLY N N 15 12.33 1.78 . . . . 101 G N 11076 1 67 . 1 1 102 102 SER N N 15 11.94 0.496 . . . . 102 S N 11076 1 68 . 1 1 103 103 ASP N N 15 13.5 1.22 . . . . 103 D N 11076 1 69 . 1 1 104 104 ARG N N 15 10.85 1.17 . . . . 104 R N 11076 1 70 . 1 1 105 105 ALA N N 15 11.88 0.617 . . . . 105 A N 11076 1 71 . 1 1 106 106 ILE N N 15 13.29 1.36 . . . . 106 I N 11076 1 72 . 1 1 108 108 MET N N 15 11.77 0.736 . . . . 108 M N 11076 1 73 . 1 1 109 109 LEU N N 15 9.14 0.655 . . . . 109 L N 11076 1 74 . 1 1 110 110 ARG N N 15 10.33 0.951 . . . . 110 R N 11076 1 75 . 1 1 111 111 ASP N N 15 8.938 0.861 . . . . 111 D N 11076 1 76 . 1 1 114 114 TYR N N 15 12.56 0.846 . . . . 114 Y N 11076 1 77 . 1 1 116 116 TRP N N 15 11.75 1.48 . . . . 116 W N 11076 1 78 . 1 1 117 117 GLU N N 15 9.344 0.389 . . . . 117 E N 11076 1 79 . 1 1 120 120 ASP N N 15 11.05 0.377 . . . . 120 D N 11076 1 80 . 1 1 121 121 PHE N N 15 11.53 0.847 . . . . 121 F N 11076 1 81 . 1 1 123 123 VAL N N 15 6.43 0.377 . . . . 123 V N 11076 1 82 . 1 1 124 124 SER N N 15 20.67 2.49 . . . . 124 S N 11076 1 83 . 1 1 125 125 GLN N N 15 13.26 0.922 . . . . 125 Q N 11076 1 84 . 1 1 126 126 ASP N N 15 14.45 0.668 . . . . 126 D N 11076 1 85 . 1 1 127 127 ARG N N 15 13.85 1.33 . . . . 127 R N 11076 1 86 . 1 1 129 129 ALA N N 15 10.02 1.07 . . . . 129 A N 11076 1 87 . 1 1 130 130 GLU N N 15 12.39 1.28 . . . . 130 E N 11076 1 88 . 1 1 131 131 VAL N N 15 10.53 0.598 . . . . 131 V N 11076 1 89 . 1 1 132 132 THR N N 15 9.575 0.491 . . . . 132 T N 11076 1 90 . 1 1 133 133 LEU N N 15 9.12 1.06 . . . . 133 L N 11076 1 91 . 1 1 134 134 GLU N N 15 14.75 0.519 . . . . 134 E N 11076 1 92 . 1 1 136 136 GLN N N 15 6.351 1.07 . . . . 136 Q N 11076 1 93 . 1 1 140 140 GLY N N 15 9.779 0.633 . . . . 140 G N 11076 1 94 . 1 1 141 141 LYS N N 15 21.43 1.17 . . . . 141 K N 11076 1 stop_ save_