data_15112 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15112 _Entry.Title ; Assignment of the reduced Cu,Zn Superoxide Dismutase from Salmonella choleraesuis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Beatriz Jimenez . . . 15112 2 Mirko Mori . . . 15112 3 Mario Piccioli . . . 15112 4 Marco Sette . . . 15112 5 Andrea Battistoni . . . 15112 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CERM University of Florence' . 15112 2 . 'University of Rome Tor Vergata' . 15112 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15112 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 679 15112 '15N chemical shifts' 178 15112 '1H chemical shifts' 1034 15112 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 3 . . 2010-04-15 2007-01-24 update BMRB 'add related PDB ID' 15112 2 . . 2009-08-31 2007-01-24 update BMRB 'complete entry citation' 15112 1 . . 2007-06-27 2007-01-24 original author 'original release' 15112 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K4W 'structure entry' 15112 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15112 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636828 _Citation.Full_citation . _Citation.Title 'NMR assignment of reduced form of copper, zinc superoxide dismutase from Salmonella enterica' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 65 _Citation.Page_last 67 _Citation.Year 2007 _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 Beatriz Jimenez . . . 15112 1 2 Mirko Mori . . . 15112 1 3 Andrea Battistoni . . . 15112 1 4 Marco Sette . . . 15112 1 5 Mario Piccioli . . . 15112 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cu, Zn SOD' 15112 1 Metalloproteins 15112 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15112 _Assembly.ID 1 _Assembly.Name holo-c2sod _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 c2sod 1 $c2sod A . yes native no no 1 polypeptide . 15112 1 2 Cu(I) 2 $CU1 A . no native no no 2 metal . 15112 1 3 Zn(II) 3 $ZN A . no native no no 3 metal . 15112 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination bonds' SING . 1 c2sod 1 HIS 48 48 ND1 . 2 Cu(I) 2 CU1 1 1 CU . c2sod 67 HIS ND1 . Cu(I) 1 CU CU 15112 1 2 'metal coordination bonds' SING . 1 c2sod 1 HIS 50 50 NE2 . 2 Cu(I) 2 CU1 1 1 CU . c2sod 69 HIS NE2 . Cu(I) 1 CU CU 15112 1 3 'metal coordination bonds' SING . 1 c2sod 1 HIS 73 73 NE2 . 2 Cu(I) 2 CU1 1 1 CU . c2sod 92 HIS NE2 . Cu(I) 1 CU CU 15112 1 4 'metal coordination bonds' SING . 1 c2sod 1 HIS 128 128 NE2 . 2 Cu(I) 2 CU1 1 1 CU . c2sod 147 HIS NE2 . Cu(I) 1 CU CU 15112 1 5 'metal coordination bonds' SING . 1 c2sod 1 HIS 73 73 ND1 . 3 Zn(II) 3 ZN 1 1 ZN . c2sod 92 HIS ND1 . Zn(II) 2 ZN ZN 15112 1 6 'metal coordination bonds' SING . 1 c2sod 1 HIS 82 82 ND1 . 3 Zn(II) 3 ZN 1 1 ZN . c2sod 101 HIS ND1 . Zn(II) 2 ZN ZN 15112 1 7 'metal coordination bonds' SING . 1 c2sod 1 HIS 90 90 ND1 . 3 Zn(II) 3 ZN 1 1 ZN . c2sod 109 HIS ND1 . Zn(II) 2 ZN ZN 15112 1 8 'metal coordination bonds' SING . 1 c2sod 1 ASP 93 93 OD1 . 3 Zn(II) 3 ZN 1 1 ZN . c2sod 112 ASP OD1 . Zn(II) 2 ZN ZN 15112 1 9 disulfide SING . 1 c2sod 1 CYS 55 55 SG . 1 c2sod 1 CYS 150 150 SG . . . . . . . . . . 15112 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 90 90 HD1 . 109 HIS HD1 15112 1 . . 1 1 HIS 82 82 HD1 . 101 HIS HD1 15112 1 . . 1 1 HIS 73 73 HD1 . 92 HIS HD1 15112 1 . . 1 1 HIS 128 128 HE2 . 147 HIS HE2 15112 1 . . 1 1 HIS 73 73 HE2 . 92 HIS HE2 15112 1 . . 1 1 HIS 50 50 HE2 . 69 HIS HE2 15112 1 . . 1 1 HIS 48 48 HD1 . 67 HIS HD1 15112 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'superoxide dismutase' 15112 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c2sod _Entity.Sf_category entity _Entity.Sf_framecode c2sod _Entity.Entry_ID 15112 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name c2sod _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASEKVGMNLVTAQGVGQSIG TVVIDETEGGLKFTPHLKAL PPGEHGFHIHANGSCQPAIK DGQAVAAEAAGGHLDPQNTG KHEGPEGQGHLGDLPVLVVN NDGIATEPVTAPRLKSLDEV KDKALMIHVGGDNMSDQPKP LGGGGTRYACGVIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 154 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment '(20-173) c2sod functional polipeptide fragment.' _Entity.Mutation E25G _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The complete sequence sequence encoded in the sodc2 gen is reported here bellow: MKRLSLAMVTLLACAGAQAASEKVEMNLVTAQGVGQSIGTVVIDETEGGLKFTPHLKALPPGEHGFHIHANGSCQPAIKDGQAVAAEAAGGHLDPQNTGKHEGPEGQGHLGDLPVLVVNNDGIATEPVTAPRLKSLDEVKDKALMIHVGGDNMSDQPKPLGGGGTRYACGVIK The functional part of the protein starts from Ala20 and it is the way the protein is found in nature. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K4W . "The Solution Structure Of The Monomeric Copper, Zinc Superox Dismutase From Salmonella Enterica" . . . . . 100.00 154 100.00 100.00 2.71e-104 . . . . 15112 1 2 no DBJ BAJ36397 . "superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 100.00 173 97.40 98.70 8.19e-102 . . . . 15112 1 3 no DBJ BAP07292 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 100.00 173 97.40 98.70 8.19e-102 . . . . 15112 1 4 no EMBL CAD01927 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 173 98.05 98.70 2.84e-102 . . . . 15112 1 5 no EMBL CAF06532 . "superoxide dismutase [Cu-Zn] precursor [Salmonella enterica subsp. enterica serovar Choleraesuis]" . . . . . 100.00 173 99.35 99.35 1.28e-103 . . . . 15112 1 6 no EMBL CAR33189 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 100.00 173 99.35 99.35 1.28e-103 . . . . 15112 1 7 no EMBL CAR37537 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 100.00 173 99.35 99.35 1.28e-103 . . . . 15112 1 8 no EMBL CAR59488 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" . . . . . 100.00 173 98.70 99.35 4.95e-103 . . . . 15112 1 9 no GB AAC13559 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 173 97.40 98.70 8.19e-102 . . . . 15112 1 10 no GB AAL20362 . "copper/zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 173 97.40 98.70 8.19e-102 . . . . 15112 1 11 no GB AAO68958 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 100.00 173 98.05 98.70 2.84e-102 . . . . 15112 1 12 no GB AAV74622 . "Cu/Zn superoxide dismutase [Salmonella enterica subsp. enterica serovar Enteritidis]" . . . . . 100.00 173 99.35 99.35 1.28e-103 . . . . 15112 1 13 no GB AAV77354 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" . . . . . 100.00 173 98.70 99.35 4.95e-103 . . . . 15112 1 14 no PIR AF0694 . "copper-zinc superoxide dismutase [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 173 98.05 98.70 2.84e-102 . . . . 15112 1 15 no REF NP_456090 . "copper-zinc superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 173 98.05 98.70 2.84e-102 . . . . 15112 1 16 no REF NP_460403 . "superoxide dismutase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 173 97.40 98.70 8.19e-102 . . . . 15112 1 17 no REF WP_000315605 . "superoxide dismutase, partial [Salmonella enterica]" . . . . . 93.51 144 98.61 99.31 2.38e-95 . . . . 15112 1 18 no REF WP_000826811 . "superoxide dismutase [Salmonella enterica]" . . . . . 100.00 173 97.40 98.70 2.31e-101 . . . . 15112 1 19 no REF WP_000826812 . "Superoxide dismutase [Cu-Zn] 2 [Salmonella enterica]" . . . . . 100.00 173 98.05 98.70 3.42e-102 . . . . 15112 1 20 no SP O68901 . "RecName: Full=Superoxide dismutase [Cu-Zn] 2; AltName: Full=SodCII; Flags: Precursor" . . . . . 100.00 173 97.40 98.70 8.19e-102 . . . . 15112 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'superoxide dismutase' 15112 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 20 ALA . 15112 1 2 21 SER . 15112 1 3 22 GLU . 15112 1 4 23 LYS . 15112 1 5 24 VAL . 15112 1 6 25 GLY . 15112 1 7 26 MET . 15112 1 8 27 ASN . 15112 1 9 28 LEU . 15112 1 10 29 VAL . 15112 1 11 30 THR . 15112 1 12 31 ALA . 15112 1 13 32 GLN . 15112 1 14 33 GLY . 15112 1 15 34 VAL . 15112 1 16 35 GLY . 15112 1 17 36 GLN . 15112 1 18 37 SER . 15112 1 19 38 ILE . 15112 1 20 39 GLY . 15112 1 21 40 THR . 15112 1 22 41 VAL . 15112 1 23 42 VAL . 15112 1 24 43 ILE . 15112 1 25 44 ASP . 15112 1 26 45 GLU . 15112 1 27 46 THR . 15112 1 28 47 GLU . 15112 1 29 48 GLY . 15112 1 30 49 GLY . 15112 1 31 50 LEU . 15112 1 32 51 LYS . 15112 1 33 52 PHE . 15112 1 34 53 THR . 15112 1 35 54 PRO . 15112 1 36 55 HIS . 15112 1 37 56 LEU . 15112 1 38 57 LYS . 15112 1 39 58 ALA . 15112 1 40 59 LEU . 15112 1 41 60 PRO . 15112 1 42 61 PRO . 15112 1 43 62 GLY . 15112 1 44 63 GLU . 15112 1 45 64 HIS . 15112 1 46 65 GLY . 15112 1 47 66 PHE . 15112 1 48 67 HIS . 15112 1 49 68 ILE . 15112 1 50 69 HIS . 15112 1 51 70 ALA . 15112 1 52 71 ASN . 15112 1 53 72 GLY . 15112 1 54 73 SER . 15112 1 55 74 CYS . 15112 1 56 75 GLN . 15112 1 57 76 PRO . 15112 1 58 77 ALA . 15112 1 59 78 ILE . 15112 1 60 79 LYS . 15112 1 61 80 ASP . 15112 1 62 81 GLY . 15112 1 63 82 GLN . 15112 1 64 83 ALA . 15112 1 65 84 VAL . 15112 1 66 85 ALA . 15112 1 67 86 ALA . 15112 1 68 87 GLU . 15112 1 69 88 ALA . 15112 1 70 89 ALA . 15112 1 71 90 GLY . 15112 1 72 91 GLY . 15112 1 73 92 HIS . 15112 1 74 93 LEU . 15112 1 75 94 ASP . 15112 1 76 95 PRO . 15112 1 77 96 GLN . 15112 1 78 97 ASN . 15112 1 79 98 THR . 15112 1 80 99 GLY . 15112 1 81 100 LYS . 15112 1 82 101 HIS . 15112 1 83 102 GLU . 15112 1 84 103 GLY . 15112 1 85 104 PRO . 15112 1 86 105 GLU . 15112 1 87 106 GLY . 15112 1 88 107 GLN . 15112 1 89 108 GLY . 15112 1 90 109 HIS . 15112 1 91 110 LEU . 15112 1 92 111 GLY . 15112 1 93 112 ASP . 15112 1 94 113 LEU . 15112 1 95 114 PRO . 15112 1 96 115 VAL . 15112 1 97 116 LEU . 15112 1 98 117 VAL . 15112 1 99 118 VAL . 15112 1 100 119 ASN . 15112 1 101 120 ASN . 15112 1 102 121 ASP . 15112 1 103 122 GLY . 15112 1 104 123 ILE . 15112 1 105 124 ALA . 15112 1 106 125 THR . 15112 1 107 126 GLU . 15112 1 108 127 PRO . 15112 1 109 128 VAL . 15112 1 110 129 THR . 15112 1 111 130 ALA . 15112 1 112 131 PRO . 15112 1 113 132 ARG . 15112 1 114 133 LEU . 15112 1 115 134 LYS . 15112 1 116 135 SER . 15112 1 117 136 LEU . 15112 1 118 137 ASP . 15112 1 119 138 GLU . 15112 1 120 139 VAL . 15112 1 121 140 LYS . 15112 1 122 141 ASP . 15112 1 123 142 LYS . 15112 1 124 143 ALA . 15112 1 125 144 LEU . 15112 1 126 145 MET . 15112 1 127 146 ILE . 15112 1 128 147 HIS . 15112 1 129 148 VAL . 15112 1 130 149 GLY . 15112 1 131 150 GLY . 15112 1 132 151 ASP . 15112 1 133 152 ASN . 15112 1 134 153 MET . 15112 1 135 154 SER . 15112 1 136 155 ASP . 15112 1 137 156 GLN . 15112 1 138 157 PRO . 15112 1 139 158 LYS . 15112 1 140 159 PRO . 15112 1 141 160 LEU . 15112 1 142 161 GLY . 15112 1 143 162 GLY . 15112 1 144 163 GLY . 15112 1 145 164 GLY . 15112 1 146 165 THR . 15112 1 147 166 ARG . 15112 1 148 167 TYR . 15112 1 149 168 ALA . 15112 1 150 169 CYS . 15112 1 151 170 GLY . 15112 1 152 171 VAL . 15112 1 153 172 ILE . 15112 1 154 173 LYS . 15112 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 . ALA 1 1 15112 1 . SER 2 2 15112 1 . GLU 3 3 15112 1 . LYS 4 4 15112 1 . VAL 5 5 15112 1 . GLY 6 6 15112 1 . MET 7 7 15112 1 . ASN 8 8 15112 1 . LEU 9 9 15112 1 . VAL 10 10 15112 1 . THR 11 11 15112 1 . ALA 12 12 15112 1 . GLN 13 13 15112 1 . GLY 14 14 15112 1 . VAL 15 15 15112 1 . GLY 16 16 15112 1 . GLN 17 17 15112 1 . SER 18 18 15112 1 . ILE 19 19 15112 1 . GLY 20 20 15112 1 . THR 21 21 15112 1 . VAL 22 22 15112 1 . VAL 23 23 15112 1 . ILE 24 24 15112 1 . ASP 25 25 15112 1 . GLU 26 26 15112 1 . THR 27 27 15112 1 . GLU 28 28 15112 1 . GLY 29 29 15112 1 . GLY 30 30 15112 1 . LEU 31 31 15112 1 . LYS 32 32 15112 1 . PHE 33 33 15112 1 . THR 34 34 15112 1 . PRO 35 35 15112 1 . HIS 36 36 15112 1 . LEU 37 37 15112 1 . LYS 38 38 15112 1 . ALA 39 39 15112 1 . LEU 40 40 15112 1 . PRO 41 41 15112 1 . PRO 42 42 15112 1 . GLY 43 43 15112 1 . GLU 44 44 15112 1 . HIS 45 45 15112 1 . GLY 46 46 15112 1 . PHE 47 47 15112 1 . HIS 48 48 15112 1 . ILE 49 49 15112 1 . HIS 50 50 15112 1 . ALA 51 51 15112 1 . ASN 52 52 15112 1 . GLY 53 53 15112 1 . SER 54 54 15112 1 . CYS 55 55 15112 1 . GLN 56 56 15112 1 . PRO 57 57 15112 1 . ALA 58 58 15112 1 . ILE 59 59 15112 1 . LYS 60 60 15112 1 . ASP 61 61 15112 1 . GLY 62 62 15112 1 . GLN 63 63 15112 1 . ALA 64 64 15112 1 . VAL 65 65 15112 1 . ALA 66 66 15112 1 . ALA 67 67 15112 1 . GLU 68 68 15112 1 . ALA 69 69 15112 1 . ALA 70 70 15112 1 . GLY 71 71 15112 1 . GLY 72 72 15112 1 . HIS 73 73 15112 1 . LEU 74 74 15112 1 . ASP 75 75 15112 1 . PRO 76 76 15112 1 . GLN 77 77 15112 1 . ASN 78 78 15112 1 . THR 79 79 15112 1 . GLY 80 80 15112 1 . LYS 81 81 15112 1 . HIS 82 82 15112 1 . GLU 83 83 15112 1 . GLY 84 84 15112 1 . PRO 85 85 15112 1 . GLU 86 86 15112 1 . GLY 87 87 15112 1 . GLN 88 88 15112 1 . GLY 89 89 15112 1 . HIS 90 90 15112 1 . LEU 91 91 15112 1 . GLY 92 92 15112 1 . ASP 93 93 15112 1 . LEU 94 94 15112 1 . PRO 95 95 15112 1 . VAL 96 96 15112 1 . LEU 97 97 15112 1 . VAL 98 98 15112 1 . VAL 99 99 15112 1 . ASN 100 100 15112 1 . ASN 101 101 15112 1 . ASP 102 102 15112 1 . GLY 103 103 15112 1 . ILE 104 104 15112 1 . ALA 105 105 15112 1 . THR 106 106 15112 1 . GLU 107 107 15112 1 . PRO 108 108 15112 1 . VAL 109 109 15112 1 . THR 110 110 15112 1 . ALA 111 111 15112 1 . PRO 112 112 15112 1 . ARG 113 113 15112 1 . LEU 114 114 15112 1 . LYS 115 115 15112 1 . SER 116 116 15112 1 . LEU 117 117 15112 1 . ASP 118 118 15112 1 . GLU 119 119 15112 1 . VAL 120 120 15112 1 . LYS 121 121 15112 1 . ASP 122 122 15112 1 . LYS 123 123 15112 1 . ALA 124 124 15112 1 . LEU 125 125 15112 1 . MET 126 126 15112 1 . ILE 127 127 15112 1 . HIS 128 128 15112 1 . VAL 129 129 15112 1 . GLY 130 130 15112 1 . GLY 131 131 15112 1 . ASP 132 132 15112 1 . ASN 133 133 15112 1 . MET 134 134 15112 1 . SER 135 135 15112 1 . ASP 136 136 15112 1 . GLN 137 137 15112 1 . PRO 138 138 15112 1 . LYS 139 139 15112 1 . PRO 140 140 15112 1 . LEU 141 141 15112 1 . GLY 142 142 15112 1 . GLY 143 143 15112 1 . GLY 144 144 15112 1 . GLY 145 145 15112 1 . THR 146 146 15112 1 . ARG 147 147 15112 1 . TYR 148 148 15112 1 . ALA 149 149 15112 1 . CYS 150 150 15112 1 . GLY 151 151 15112 1 . VAL 152 152 15112 1 . ILE 153 153 15112 1 . LYS 154 154 15112 1 stop_ save_ save_CU1 _Entity.Sf_category entity _Entity.Sf_framecode CU1 _Entity.Entry_ID 15112 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CU1 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CU1 _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CU1 . 15112 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15112 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 15112 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15112 _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 $c2sod . 591 organism . 'Salmonella choleraesuis' 'Salmonella choleraesuis' . . Bacteria . Salmonella choleraesuis A50 . . . . . . . . . . . . . . . sodC2 . . . . 15112 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 15112 _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 $c2sod . 'recombinant technology' 'Escherichia coli' . . . . . 'QC771 and QC1110' . . . . . . . . . . . . . . . pMCPromEcSOD . . . . . . 15112 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU1 _Chem_comp.Entry_ID 15112 _Chem_comp.ID CU1 _Chem_comp.Provenance . _Chem_comp.Name 'COPPER (I) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CU1 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:17:48 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Cu+] SMILES CACTVS 2.87 15112 CU1 [Cu+] SMILES OpenEye/OEToolkits 1.4.2 15112 CU1 [Cu+] SMILES_CANONICAL CACTVS 2.87 15112 CU1 [Cu+] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15112 CU1 InChI=1/Cu/q+1 INCHI InChi 1 15112 CU1 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'copper(+1) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15112 CU1 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CU . CU . . CU . N . 1 . . . . no no . . . . . . . . . . . . . . . 15112 CU1 stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15112 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 15112 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15112 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15112 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15112 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15112 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 15112 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15112 _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 c2sod '[U-95% 13C; U-95% 15N]' 1 $assembly . . . . 1.8 . . mM . . . . 15112 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15112 _Sample.ID 2 _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 c2sod '[U-98% 15N]' 1 $assembly . . . . 1.6 . . mM . . . . 15112 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15112 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 0.0001 M 15112 1 pH 6.0 0.1 pH 15112 1 pressure 1 . atm 15112 1 temperature 298 0.1 K 15112 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15112 _Software.ID 1 _Software.Name CARA _Software.Version cara_1.5.3_linux _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15112 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15112 1 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 15112 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI).' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15112 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Triple resonance cryo-probe (TXI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15112 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15112 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15112 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI).' . . 15112 1 2 spectrometer_2 Bruker Avance . 800 'Triple resonance cryo-probe (TXI)' . . 15112 1 3 spectrometer_3 Bruker Avance . 700 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI)' . . 15112 1 4 spectrometer_4 Bruker Avance . 500 'Triple resonance cryo-probe with cool electronics for 13C acquisition (TCI)' . . 15112 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 15112 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15112 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15112 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15112 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15112 1 13 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15112 1 14 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15112 1 15 '2D CACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15112 1 16 '2D CBCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15112 1 17 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15112 1 18 '2D CC-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15112 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15112 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15112 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15112 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15112 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 15112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.07 _Assigned_chem_shift_list.Chem_shift_13C_err 0.16 _Assigned_chem_shift_list.Chem_shift_15N_err 0.39 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15112 1 2 '2D 1H-13C HSQC' . . . 15112 1 3 '2D 1H-1H NOESY' . . . 15112 1 4 '3D CBCA(CO)NH' . . . 15112 1 5 '3D HNCO' . . . 15112 1 6 '3D HNCA' . . . 15112 1 7 '3D HNCACB' . . . 15112 1 8 '3D HN(CO)CA' . . . 15112 1 9 '3D HBHA(CO)NH' . . . 15112 1 10 '3D HCCH-TOCSY' . . . 15112 1 11 '3D 1H-15N NOESY' . . . 15112 1 15 '2D CACO' . . . 15112 1 16 '2D CBCACO' . . . 15112 1 17 '2D CON' . . . 15112 1 18 '2D CC-COSY' . . . 15112 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 1 $CARA . . 15112 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 ALA H H 1 6.718 0.070 . 1 . . . . 20 ALA H . 15112 1 2 . 1 1 1 1 ALA HA H 1 4.127 0.070 . 1 . . . . 20 ALA HA . 15112 1 3 . 1 1 1 1 ALA HB1 H 1 1.455 0.070 . 1 . . . . 20 ALA HB . 15112 1 4 . 1 1 1 1 ALA HB2 H 1 1.455 0.070 . 1 . . . . 20 ALA HB . 15112 1 5 . 1 1 1 1 ALA HB3 H 1 1.455 0.070 . 1 . . . . 20 ALA HB . 15112 1 6 . 1 1 1 1 ALA C C 13 172.585 0.160 . 1 . . . . 20 ALA C . 15112 1 7 . 1 1 1 1 ALA CA C 13 51.852 0.110 . 1 . . . . 20 ALA CA . 15112 1 8 . 1 1 1 1 ALA CB C 13 19.843 0.170 . 1 . . . . 20 ALA CB . 15112 1 9 . 1 1 1 1 ALA N N 15 130.638 0.390 . 1 . . . . 20 ALA N . 15112 1 10 . 1 1 2 2 SER H H 1 8.213 0.070 . 1 . . . . 21 SER H . 15112 1 11 . 1 1 2 2 SER HA H 1 5.665 0.070 . 1 . . . . 21 SER HA . 15112 1 12 . 1 1 2 2 SER HB2 H 1 3.643 0.070 . 2 . . . . 21 SER HB2 . 15112 1 13 . 1 1 2 2 SER HB3 H 1 3.581 0.070 . 2 . . . . 21 SER HB3 . 15112 1 14 . 1 1 2 2 SER C C 13 173.941 0.160 . 1 . . . . 21 SER C . 15112 1 15 . 1 1 2 2 SER CA C 13 56.265 0.110 . 1 . . . . 21 SER CA . 15112 1 16 . 1 1 2 2 SER CB C 13 66.471 0.170 . 1 . . . . 21 SER CB . 15112 1 17 . 1 1 2 2 SER N N 15 113.446 0.390 . 1 . . . . 21 SER N . 15112 1 18 . 1 1 3 3 GLU H H 1 8.990 0.070 . 1 . . . . 22 GLU H . 15112 1 19 . 1 1 3 3 GLU HA H 1 4.588 0.070 . 1 . . . . 22 GLU HA . 15112 1 20 . 1 1 3 3 GLU HB2 H 1 2.013 0.070 . 2 . . . . 22 GLU HB2 . 15112 1 21 . 1 1 3 3 GLU HB3 H 1 1.756 0.070 . 2 . . . . 22 GLU HB3 . 15112 1 22 . 1 1 3 3 GLU HG2 H 1 2.260 0.070 . 2 . . . . 22 GLU HG2 . 15112 1 23 . 1 1 3 3 GLU HG3 H 1 2.140 0.070 . 2 . . . . 22 GLU HG3 . 15112 1 24 . 1 1 3 3 GLU C C 13 173.201 0.160 . 1 . . . . 22 GLU C . 15112 1 25 . 1 1 3 3 GLU CA C 13 55.242 0.110 . 1 . . . . 22 GLU CA . 15112 1 26 . 1 1 3 3 GLU CB C 13 33.070 0.170 . 1 . . . . 22 GLU CB . 15112 1 27 . 1 1 3 3 GLU CG C 13 33.836 0.170 . 1 . . . . 22 GLU CG . 15112 1 28 . 1 1 3 3 GLU CD C 13 180.030 0.170 . 1 . . . . 22 GLU CD . 15112 1 29 . 1 1 3 3 GLU N N 15 122.905 0.390 . 1 . . . . 22 GLU N . 15112 1 30 . 1 1 4 4 LYS H H 1 8.797 0.070 . 1 . . . . 23 LYS H . 15112 1 31 . 1 1 4 4 LYS HA H 1 4.729 0.070 . 1 . . . . 23 LYS HA . 15112 1 32 . 1 1 4 4 LYS HB2 H 1 1.671 0.070 . 1 . . . . 23 LYS HB2 . 15112 1 33 . 1 1 4 4 LYS HB3 H 1 1.671 0.070 . 1 . . . . 23 LYS HB3 . 15112 1 34 . 1 1 4 4 LYS HG2 H 1 1.347 0.070 . 1 . . . . 23 LYS HG2 . 15112 1 35 . 1 1 4 4 LYS HG3 H 1 1.347 0.070 . 1 . . . . 23 LYS HG3 . 15112 1 36 . 1 1 4 4 LYS HD2 H 1 1.623 0.070 . 1 . . . . 23 LYS HD2 . 15112 1 37 . 1 1 4 4 LYS HD3 H 1 1.603 0.070 . 1 . . . . 23 LYS HD3 . 15112 1 38 . 1 1 4 4 LYS HE2 H 1 2.994 0.070 . 1 . . . . 23 LYS HE2 . 15112 1 39 . 1 1 4 4 LYS HE3 H 1 2.994 0.070 . 1 . . . . 23 LYS HE3 . 15112 1 40 . 1 1 4 4 LYS C C 13 175.313 0.160 . 1 . . . . 23 LYS C . 15112 1 41 . 1 1 4 4 LYS CA C 13 55.772 0.110 . 1 . . . . 23 LYS CA . 15112 1 42 . 1 1 4 4 LYS CB C 13 33.581 0.170 . 1 . . . . 23 LYS CB . 15112 1 43 . 1 1 4 4 LYS CG C 13 24.453 0.170 . 1 . . . . 23 LYS CG . 15112 1 44 . 1 1 4 4 LYS CD C 13 29.205 0.170 . 1 . . . . 23 LYS CD . 15112 1 45 . 1 1 4 4 LYS CE C 13 41.627 0.170 . 1 . . . . 23 LYS CE . 15112 1 46 . 1 1 4 4 LYS N N 15 125.924 0.390 . 1 . . . . 23 LYS N . 15112 1 47 . 1 1 5 5 VAL H H 1 9.240 0.070 . 1 . . . . 24 VAL H . 15112 1 48 . 1 1 5 5 VAL HA H 1 4.282 0.070 . 1 . . . . 24 VAL HA . 15112 1 49 . 1 1 5 5 VAL HB H 1 2.116 0.070 . 1 . . . . 24 VAL HB . 15112 1 50 . 1 1 5 5 VAL HG11 H 1 0.935 0.070 . 2 . . . . 24 VAL HG1 . 15112 1 51 . 1 1 5 5 VAL HG12 H 1 0.935 0.070 . 2 . . . . 24 VAL HG1 . 15112 1 52 . 1 1 5 5 VAL HG13 H 1 0.935 0.070 . 2 . . . . 24 VAL HG1 . 15112 1 53 . 1 1 5 5 VAL HG21 H 1 0.790 0.070 . 2 . . . . 24 VAL HG2 . 15112 1 54 . 1 1 5 5 VAL HG22 H 1 0.790 0.070 . 2 . . . . 24 VAL HG2 . 15112 1 55 . 1 1 5 5 VAL HG23 H 1 0.790 0.070 . 2 . . . . 24 VAL HG2 . 15112 1 56 . 1 1 5 5 VAL C C 13 175.934 0.160 . 1 . . . . 24 VAL C . 15112 1 57 . 1 1 5 5 VAL CA C 13 61.086 0.110 . 1 . . . . 24 VAL CA . 15112 1 58 . 1 1 5 5 VAL CB C 13 33.940 0.170 . 1 . . . . 24 VAL CB . 15112 1 59 . 1 1 5 5 VAL CG1 C 13 21.965 0.170 . 2 . . . . 24 VAL CG1 . 15112 1 60 . 1 1 5 5 VAL CG2 C 13 20.262 0.170 . 2 . . . . 24 VAL CG2 . 15112 1 61 . 1 1 5 5 VAL N N 15 128.228 0.390 . 1 . . . . 24 VAL N . 15112 1 62 . 1 1 6 6 GLY H H 1 8.970 0.070 . 1 . . . . 25 GLY H . 15112 1 63 . 1 1 6 6 GLY HA2 H 1 4.214 0.070 . 2 . . . . 25 GLY HA2 . 15112 1 64 . 1 1 6 6 GLY HA3 H 1 3.684 0.070 . 2 . . . . 25 GLY HA3 . 15112 1 65 . 1 1 6 6 GLY C C 13 172.902 0.160 . 1 . . . . 25 GLY C . 15112 1 66 . 1 1 6 6 GLY CA C 13 45.849 0.110 . 1 . . . . 25 GLY CA . 15112 1 67 . 1 1 6 6 GLY N N 15 117.136 0.390 . 1 . . . . 25 GLY N . 15112 1 68 . 1 1 7 7 MET H H 1 8.193 0.070 . 1 . . . . 26 MET H . 15112 1 69 . 1 1 7 7 MET HA H 1 5.106 0.070 . 1 . . . . 26 MET HA . 15112 1 70 . 1 1 7 7 MET HB2 H 1 1.507 0.070 . 2 . . . . 26 MET HB2 . 15112 1 71 . 1 1 7 7 MET HB3 H 1 1.339 0.070 . 2 . . . . 26 MET HB3 . 15112 1 72 . 1 1 7 7 MET HG2 H 1 2.453 0.070 . 2 . . . . 26 MET HG2 . 15112 1 73 . 1 1 7 7 MET HG3 H 1 2.201 0.070 . 2 . . . . 26 MET HG3 . 15112 1 74 . 1 1 7 7 MET HE1 H 1 1.782 0.070 . 1 . . . . 26 MET HE . 15112 1 75 . 1 1 7 7 MET HE2 H 1 1.782 0.070 . 1 . . . . 26 MET HE . 15112 1 76 . 1 1 7 7 MET HE3 H 1 1.782 0.070 . 1 . . . . 26 MET HE . 15112 1 77 . 1 1 7 7 MET C C 13 175.903 0.160 . 1 . . . . 26 MET C . 15112 1 78 . 1 1 7 7 MET CA C 13 51.886 0.110 . 1 . . . . 26 MET CA . 15112 1 79 . 1 1 7 7 MET CB C 13 32.963 0.170 . 1 . . . . 26 MET CB . 15112 1 80 . 1 1 7 7 MET CG C 13 32.365 0.170 . 1 . . . . 26 MET CG . 15112 1 81 . 1 1 7 7 MET CE C 13 15.928 0.170 . 1 . . . . 26 MET CE . 15112 1 82 . 1 1 7 7 MET N N 15 121.772 0.390 . 1 . . . . 26 MET N . 15112 1 83 . 1 1 8 8 ASN H H 1 8.489 0.070 . 1 . . . . 27 ASN H . 15112 1 84 . 1 1 8 8 ASN HA H 1 5.475 0.070 . 1 . . . . 27 ASN HA . 15112 1 85 . 1 1 8 8 ASN HB2 H 1 2.538 0.070 . 2 . . . . 27 ASN HB2 . 15112 1 86 . 1 1 8 8 ASN HB3 H 1 2.196 0.070 . 2 . . . . 27 ASN HB3 . 15112 1 87 . 1 1 8 8 ASN HD21 H 1 7.721 0.070 . 2 . . . . 27 ASN HD21 . 15112 1 88 . 1 1 8 8 ASN HD22 H 1 7.077 0.070 . 2 . . . . 27 ASN HD22 . 15112 1 89 . 1 1 8 8 ASN C C 13 175.211 0.160 . 1 . . . . 27 ASN C . 15112 1 90 . 1 1 8 8 ASN CA C 13 52.350 0.110 . 1 . . . . 27 ASN CA . 15112 1 91 . 1 1 8 8 ASN CB C 13 42.292 0.170 . 1 . . . . 27 ASN CB . 15112 1 92 . 1 1 8 8 ASN CG C 13 177.829 0.170 . 1 . . . . 27 ASN CG . 15112 1 93 . 1 1 8 8 ASN N N 15 119.939 0.390 . 1 . . . . 27 ASN N . 15112 1 94 . 1 1 8 8 ASN ND2 N 15 114.283 0.390 . 1 . . . . 27 ASN ND2 . 15112 1 95 . 1 1 9 9 LEU H H 1 8.397 0.070 . 1 . . . . 28 LEU H . 15112 1 96 . 1 1 9 9 LEU HA H 1 4.304 0.070 . 1 . . . . 28 LEU HA . 15112 1 97 . 1 1 9 9 LEU HB2 H 1 1.570 0.070 . 2 . . . . 28 LEU HB2 . 15112 1 98 . 1 1 9 9 LEU HB3 H 1 1.345 0.070 . 2 . . . . 28 LEU HB3 . 15112 1 99 . 1 1 9 9 LEU HG H 1 1.648 0.070 . 1 . . . . 28 LEU HG . 15112 1 100 . 1 1 9 9 LEU HD11 H 1 0.792 0.070 . 2 . . . . 28 LEU HD1 . 15112 1 101 . 1 1 9 9 LEU HD12 H 1 0.792 0.070 . 2 . . . . 28 LEU HD1 . 15112 1 102 . 1 1 9 9 LEU HD13 H 1 0.792 0.070 . 2 . . . . 28 LEU HD1 . 15112 1 103 . 1 1 9 9 LEU HD21 H 1 0.565 0.070 . 2 . . . . 28 LEU HD2 . 15112 1 104 . 1 1 9 9 LEU HD22 H 1 0.565 0.070 . 2 . . . . 28 LEU HD2 . 15112 1 105 . 1 1 9 9 LEU HD23 H 1 0.565 0.070 . 2 . . . . 28 LEU HD2 . 15112 1 106 . 1 1 9 9 LEU C C 13 176.840 0.160 . 1 . . . . 28 LEU C . 15112 1 107 . 1 1 9 9 LEU CA C 13 55.654 0.110 . 1 . . . . 28 LEU CA . 15112 1 108 . 1 1 9 9 LEU CB C 13 42.130 0.170 . 1 . . . . 28 LEU CB . 15112 1 109 . 1 1 9 9 LEU CG C 13 26.414 0.170 . 1 . . . . 28 LEU CG . 15112 1 110 . 1 1 9 9 LEU CD1 C 13 25.169 0.170 . 2 . . . . 28 LEU CD1 . 15112 1 111 . 1 1 9 9 LEU CD2 C 13 23.206 0.170 . 2 . . . . 28 LEU CD2 . 15112 1 112 . 1 1 9 9 LEU N N 15 121.222 0.390 . 1 . . . . 28 LEU N . 15112 1 113 . 1 1 10 10 VAL H H 1 7.271 0.070 . 1 . . . . 29 VAL H . 15112 1 114 . 1 1 10 10 VAL HA H 1 5.025 0.070 . 1 . . . . 29 VAL HA . 15112 1 115 . 1 1 10 10 VAL HB H 1 2.218 0.070 . 1 . . . . 29 VAL HB . 15112 1 116 . 1 1 10 10 VAL HG11 H 1 1.009 0.070 . 2 . . . . 29 VAL HG1 . 15112 1 117 . 1 1 10 10 VAL HG12 H 1 1.009 0.070 . 2 . . . . 29 VAL HG1 . 15112 1 118 . 1 1 10 10 VAL HG13 H 1 1.009 0.070 . 2 . . . . 29 VAL HG1 . 15112 1 119 . 1 1 10 10 VAL HG21 H 1 0.263 0.070 . 2 . . . . 29 VAL HG2 . 15112 1 120 . 1 1 10 10 VAL HG22 H 1 0.263 0.070 . 2 . . . . 29 VAL HG2 . 15112 1 121 . 1 1 10 10 VAL HG23 H 1 0.263 0.070 . 2 . . . . 29 VAL HG2 . 15112 1 122 . 1 1 10 10 VAL C C 13 175.155 0.160 . 1 . . . . 29 VAL C . 15112 1 123 . 1 1 10 10 VAL CA C 13 58.981 0.110 . 1 . . . . 29 VAL CA . 15112 1 124 . 1 1 10 10 VAL CB C 13 34.867 0.170 . 1 . . . . 29 VAL CB . 15112 1 125 . 1 1 10 10 VAL CG1 C 13 24.913 0.170 . 2 . . . . 29 VAL CG1 . 15112 1 126 . 1 1 10 10 VAL CG2 C 13 17.210 0.170 . 2 . . . . 29 VAL CG2 . 15112 1 127 . 1 1 10 10 VAL N N 15 111.194 0.390 . 1 . . . . 29 VAL N . 15112 1 128 . 1 1 11 11 THR H H 1 8.551 0.070 . 1 . . . . 30 THR H . 15112 1 129 . 1 1 11 11 THR HA H 1 4.600 0.070 . 1 . . . . 30 THR HA . 15112 1 130 . 1 1 11 11 THR HB H 1 4.572 0.070 . 1 . . . . 30 THR HB . 15112 1 131 . 1 1 11 11 THR HG21 H 1 1.028 0.070 . 1 . . . . 30 THR HG2 . 15112 1 132 . 1 1 11 11 THR HG22 H 1 1.028 0.070 . 1 . . . . 30 THR HG2 . 15112 1 133 . 1 1 11 11 THR HG23 H 1 1.028 0.070 . 1 . . . . 30 THR HG2 . 15112 1 134 . 1 1 11 11 THR C C 13 174.730 0.160 . 1 . . . . 30 THR C . 15112 1 135 . 1 1 11 11 THR CA C 13 59.626 0.110 . 1 . . . . 30 THR CA . 15112 1 136 . 1 1 11 11 THR CB C 13 73.067 0.170 . 1 . . . . 30 THR CB . 15112 1 137 . 1 1 11 11 THR CG2 C 13 21.044 0.170 . 1 . . . . 30 THR CG2 . 15112 1 138 . 1 1 11 11 THR N N 15 113.010 0.390 . 1 . . . . 30 THR N . 15112 1 139 . 1 1 12 12 ALA H H 1 8.995 0.070 . 1 . . . . 31 ALA H . 15112 1 140 . 1 1 12 12 ALA HA H 1 3.681 0.070 . 1 . . . . 31 ALA HA . 15112 1 141 . 1 1 12 12 ALA HB1 H 1 1.330 0.070 . 1 . . . . 31 ALA HB . 15112 1 142 . 1 1 12 12 ALA HB2 H 1 1.330 0.070 . 1 . . . . 31 ALA HB . 15112 1 143 . 1 1 12 12 ALA HB3 H 1 1.330 0.070 . 1 . . . . 31 ALA HB . 15112 1 144 . 1 1 12 12 ALA C C 13 175.587 0.160 . 1 . . . . 31 ALA C . 15112 1 145 . 1 1 12 12 ALA CA C 13 54.332 0.110 . 1 . . . . 31 ALA CA . 15112 1 146 . 1 1 12 12 ALA CB C 13 18.194 0.170 . 1 . . . . 31 ALA CB . 15112 1 147 . 1 1 12 12 ALA N N 15 122.243 0.390 . 1 . . . . 31 ALA N . 15112 1 148 . 1 1 13 13 GLN H H 1 7.552 0.070 . 1 . . . . 32 GLN H . 15112 1 149 . 1 1 13 13 GLN HA H 1 4.165 0.070 . 1 . . . . 32 GLN HA . 15112 1 150 . 1 1 13 13 GLN HB2 H 1 2.061 0.070 . 2 . . . . 32 GLN HB2 . 15112 1 151 . 1 1 13 13 GLN HB3 H 1 1.749 0.070 . 2 . . . . 32 GLN HB3 . 15112 1 152 . 1 1 13 13 GLN HG2 H 1 2.331 0.070 . 2 . . . . 32 GLN HG2 . 15112 1 153 . 1 1 13 13 GLN HG3 H 1 2.221 0.070 . 2 . . . . 32 GLN HG3 . 15112 1 154 . 1 1 13 13 GLN HE21 H 1 7.541 0.070 . 2 . . . . 32 GLN HE21 . 15112 1 155 . 1 1 13 13 GLN HE22 H 1 6.817 0.070 . 2 . . . . 32 GLN HE22 . 15112 1 156 . 1 1 13 13 GLN C C 13 176.471 0.160 . 1 . . . . 32 GLN C . 15112 1 157 . 1 1 13 13 GLN CA C 13 56.163 0.110 . 1 . . . . 32 GLN CA . 15112 1 158 . 1 1 13 13 GLN CB C 13 29.592 0.170 . 1 . . . . 32 GLN CB . 15112 1 159 . 1 1 13 13 GLN CG C 13 34.671 0.170 . 1 . . . . 32 GLN CG . 15112 1 160 . 1 1 13 13 GLN CD C 13 180.723 0.170 . 1 . . . . 32 GLN CD . 15112 1 161 . 1 1 13 13 GLN N N 15 111.225 0.390 . 1 . . . . 32 GLN N . 15112 1 162 . 1 1 13 13 GLN NE2 N 15 113.249 0.390 . 1 . . . . 32 GLN NE2 . 15112 1 163 . 1 1 14 14 GLY H H 1 7.438 0.070 . 1 . . . . 33 GLY H . 15112 1 164 . 1 1 14 14 GLY HA2 H 1 4.421 0.070 . 2 . . . . 33 GLY HA2 . 15112 1 165 . 1 1 14 14 GLY HA3 H 1 3.523 0.070 . 2 . . . . 33 GLY HA3 . 15112 1 166 . 1 1 14 14 GLY C C 13 171.063 0.160 . 1 . . . . 33 GLY C . 15112 1 167 . 1 1 14 14 GLY CA C 13 45.686 0.110 . 1 . . . . 33 GLY CA . 15112 1 168 . 1 1 14 14 GLY N N 15 108.069 0.390 . 1 . . . . 33 GLY N . 15112 1 169 . 1 1 15 15 VAL H H 1 8.612 0.070 . 1 . . . . 34 VAL H . 15112 1 170 . 1 1 15 15 VAL HA H 1 4.140 0.070 . 1 . . . . 34 VAL HA . 15112 1 171 . 1 1 15 15 VAL HB H 1 1.870 0.070 . 1 . . . . 34 VAL HB . 15112 1 172 . 1 1 15 15 VAL HG11 H 1 0.894 0.070 . 2 . . . . 34 VAL HG1 . 15112 1 173 . 1 1 15 15 VAL HG12 H 1 0.894 0.070 . 2 . . . . 34 VAL HG1 . 15112 1 174 . 1 1 15 15 VAL HG13 H 1 0.894 0.070 . 2 . . . . 34 VAL HG1 . 15112 1 175 . 1 1 15 15 VAL HG21 H 1 0.709 0.070 . 2 . . . . 34 VAL HG2 . 15112 1 176 . 1 1 15 15 VAL HG22 H 1 0.709 0.070 . 2 . . . . 34 VAL HG2 . 15112 1 177 . 1 1 15 15 VAL HG23 H 1 0.709 0.070 . 2 . . . . 34 VAL HG2 . 15112 1 178 . 1 1 15 15 VAL C C 13 176.070 0.160 . 1 . . . . 34 VAL C . 15112 1 179 . 1 1 15 15 VAL CA C 13 62.715 0.110 . 1 . . . . 34 VAL CA . 15112 1 180 . 1 1 15 15 VAL CB C 13 32.470 0.170 . 1 . . . . 34 VAL CB . 15112 1 181 . 1 1 15 15 VAL CG1 C 13 21.230 0.170 . 1 . . . . 34 VAL CG1 . 15112 1 182 . 1 1 15 15 VAL CG2 C 13 21.230 0.170 . 1 . . . . 34 VAL CG2 . 15112 1 183 . 1 1 15 15 VAL N N 15 125.670 0.390 . 1 . . . . 34 VAL N . 15112 1 184 . 1 1 16 16 GLY H H 1 9.095 0.070 . 1 . . . . 35 GLY H . 15112 1 185 . 1 1 16 16 GLY HA2 H 1 4.458 0.070 . 2 . . . . 35 GLY HA2 . 15112 1 186 . 1 1 16 16 GLY HA3 H 1 3.439 0.070 . 2 . . . . 35 GLY HA3 . 15112 1 187 . 1 1 16 16 GLY C C 13 174.342 0.160 . 1 . . . . 35 GLY C . 15112 1 188 . 1 1 16 16 GLY CA C 13 43.722 0.110 . 1 . . . . 35 GLY CA . 15112 1 189 . 1 1 16 16 GLY N N 15 118.426 0.390 . 1 . . . . 35 GLY N . 15112 1 190 . 1 1 17 17 GLN H H 1 8.664 0.070 . 1 . . . . 36 GLN H . 15112 1 191 . 1 1 17 17 GLN HA H 1 4.105 0.070 . 1 . . . . 36 GLN HA . 15112 1 192 . 1 1 17 17 GLN HB2 H 1 2.019 0.070 . 1 . . . . 36 GLN HB2 . 15112 1 193 . 1 1 17 17 GLN HB3 H 1 2.019 0.070 . 1 . . . . 36 GLN HB3 . 15112 1 194 . 1 1 17 17 GLN HG2 H 1 2.389 0.070 . 2 . . . . 36 GLN HG2 . 15112 1 195 . 1 1 17 17 GLN HG3 H 1 2.314 0.070 . 2 . . . . 36 GLN HG3 . 15112 1 196 . 1 1 17 17 GLN HE21 H 1 7.436 0.070 . 2 . . . . 36 GLN HE21 . 15112 1 197 . 1 1 17 17 GLN HE22 H 1 6.921 0.070 . 2 . . . . 36 GLN HE22 . 15112 1 198 . 1 1 17 17 GLN C C 13 175.529 0.160 . 1 . . . . 36 GLN C . 15112 1 199 . 1 1 17 17 GLN CA C 13 56.095 0.110 . 1 . . . . 36 GLN CA . 15112 1 200 . 1 1 17 17 GLN CB C 13 29.915 0.170 . 1 . . . . 36 GLN CB . 15112 1 201 . 1 1 17 17 GLN CG C 13 33.298 0.170 . 1 . . . . 36 GLN CG . 15112 1 202 . 1 1 17 17 GLN CD C 13 180.623 0.170 . 1 . . . . 36 GLN CD . 15112 1 203 . 1 1 17 17 GLN N N 15 123.377 0.390 . 1 . . . . 36 GLN N . 15112 1 204 . 1 1 17 17 GLN NE2 N 15 112.981 0.390 . 1 . . . . 36 GLN NE2 . 15112 1 205 . 1 1 18 18 SER H H 1 8.612 0.070 . 1 . . . . 37 SER H . 15112 1 206 . 1 1 18 18 SER HA H 1 4.811 0.070 . 1 . . . . 37 SER HA . 15112 1 207 . 1 1 18 18 SER HB2 H 1 3.991 0.070 . 2 . . . . 37 SER HB2 . 15112 1 208 . 1 1 18 18 SER HB3 H 1 3.736 0.070 . 2 . . . . 37 SER HB3 . 15112 1 209 . 1 1 18 18 SER C C 13 177.293 0.160 . 1 . . . . 37 SER C . 15112 1 210 . 1 1 18 18 SER CA C 13 58.268 0.110 . 1 . . . . 37 SER CA . 15112 1 211 . 1 1 18 18 SER CB C 13 63.430 0.170 . 1 . . . . 37 SER CB . 15112 1 212 . 1 1 18 18 SER N N 15 116.326 0.390 . 1 . . . . 37 SER N . 15112 1 213 . 1 1 19 19 ILE H H 1 8.499 0.070 . 1 . . . . 38 ILE H . 15112 1 214 . 1 1 19 19 ILE HA H 1 4.621 0.070 . 1 . . . . 38 ILE HA . 15112 1 215 . 1 1 19 19 ILE HB H 1 2.856 0.070 . 1 . . . . 38 ILE HB . 15112 1 216 . 1 1 19 19 ILE HG12 H 1 1.012 0.070 . 2 . . . . 38 ILE HG12 . 15112 1 217 . 1 1 19 19 ILE HG13 H 1 0.514 0.070 . 2 . . . . 38 ILE HG13 . 15112 1 218 . 1 1 19 19 ILE HG21 H 1 0.857 0.070 . 1 . . . . 38 ILE HG2 . 15112 1 219 . 1 1 19 19 ILE HG22 H 1 0.857 0.070 . 1 . . . . 38 ILE HG2 . 15112 1 220 . 1 1 19 19 ILE HG23 H 1 0.857 0.070 . 1 . . . . 38 ILE HG2 . 15112 1 221 . 1 1 19 19 ILE HD11 H 1 0.674 0.070 . 1 . . . . 38 ILE HD1 . 15112 1 222 . 1 1 19 19 ILE HD12 H 1 0.674 0.070 . 1 . . . . 38 ILE HD1 . 15112 1 223 . 1 1 19 19 ILE HD13 H 1 0.674 0.070 . 1 . . . . 38 ILE HD1 . 15112 1 224 . 1 1 19 19 ILE C C 13 174.078 0.160 . 1 . . . . 38 ILE C . 15112 1 225 . 1 1 19 19 ILE CA C 13 60.984 0.110 . 1 . . . . 38 ILE CA . 15112 1 226 . 1 1 19 19 ILE CB C 13 37.580 0.170 . 1 . . . . 38 ILE CB . 15112 1 227 . 1 1 19 19 ILE CG1 C 13 26.721 0.170 . 1 . . . . 38 ILE CG1 . 15112 1 228 . 1 1 19 19 ILE CG2 C 13 18.558 0.170 . 1 . . . . 38 ILE CG2 . 15112 1 229 . 1 1 19 19 ILE CD1 C 13 15.293 0.170 . 1 . . . . 38 ILE CD1 . 15112 1 230 . 1 1 19 19 ILE N N 15 119.730 0.390 . 1 . . . . 38 ILE N . 15112 1 231 . 1 1 20 20 GLY H H 1 7.800 0.070 . 1 . . . . 39 GLY H . 15112 1 232 . 1 1 20 20 GLY HA2 H 1 5.489 0.070 . 2 . . . . 39 GLY HA2 . 15112 1 233 . 1 1 20 20 GLY HA3 H 1 3.736 0.070 . 2 . . . . 39 GLY HA3 . 15112 1 234 . 1 1 20 20 GLY C C 13 173.242 0.160 . 1 . . . . 39 GLY C . 15112 1 235 . 1 1 20 20 GLY CA C 13 43.762 0.110 . 1 . . . . 39 GLY CA . 15112 1 236 . 1 1 20 20 GLY N N 15 109.038 0.390 . 1 . . . . 39 GLY N . 15112 1 237 . 1 1 21 21 THR H H 1 7.719 0.070 . 1 . . . . 40 THR H . 15112 1 238 . 1 1 21 21 THR HA H 1 5.393 0.070 . 1 . . . . 40 THR HA . 15112 1 239 . 1 1 21 21 THR HB H 1 3.750 0.070 . 1 . . . . 40 THR HB . 15112 1 240 . 1 1 21 21 THR HG21 H 1 1.031 0.070 . 1 . . . . 40 THR HG2 . 15112 1 241 . 1 1 21 21 THR HG22 H 1 1.031 0.070 . 1 . . . . 40 THR HG2 . 15112 1 242 . 1 1 21 21 THR HG23 H 1 1.031 0.070 . 1 . . . . 40 THR HG2 . 15112 1 243 . 1 1 21 21 THR C C 13 173.641 0.160 . 1 . . . . 40 THR C . 15112 1 244 . 1 1 21 21 THR CA C 13 59.049 0.110 . 1 . . . . 40 THR CA . 15112 1 245 . 1 1 21 21 THR CB C 13 73.890 0.170 . 1 . . . . 40 THR CB . 15112 1 246 . 1 1 21 21 THR CG2 C 13 22.036 0.170 . 1 . . . . 40 THR CG2 . 15112 1 247 . 1 1 21 21 THR N N 15 112.231 0.390 . 1 . . . . 40 THR N . 15112 1 248 . 1 1 22 22 VAL H H 1 9.022 0.070 . 1 . . . . 41 VAL H . 15112 1 249 . 1 1 22 22 VAL HA H 1 4.488 0.070 . 1 . . . . 41 VAL HA . 15112 1 250 . 1 1 22 22 VAL HB H 1 1.823 0.070 . 1 . . . . 41 VAL HB . 15112 1 251 . 1 1 22 22 VAL HG11 H 1 0.935 0.070 . 1 . . . . 41 VAL HG1 . 15112 1 252 . 1 1 22 22 VAL HG12 H 1 0.935 0.070 . 1 . . . . 41 VAL HG1 . 15112 1 253 . 1 1 22 22 VAL HG13 H 1 0.935 0.070 . 1 . . . . 41 VAL HG1 . 15112 1 254 . 1 1 22 22 VAL HG21 H 1 0.935 0.070 . 1 . . . . 41 VAL HG2 . 15112 1 255 . 1 1 22 22 VAL HG22 H 1 0.935 0.070 . 1 . . . . 41 VAL HG2 . 15112 1 256 . 1 1 22 22 VAL HG23 H 1 0.935 0.070 . 1 . . . . 41 VAL HG2 . 15112 1 257 . 1 1 22 22 VAL C C 13 174.469 0.160 . 1 . . . . 41 VAL C . 15112 1 258 . 1 1 22 22 VAL CA C 13 61.406 0.110 . 1 . . . . 41 VAL CA . 15112 1 259 . 1 1 22 22 VAL CB C 13 35.124 0.170 . 1 . . . . 41 VAL CB . 15112 1 260 . 1 1 22 22 VAL CG1 C 13 22.005 0.170 . 1 . . . . 41 VAL CG1 . 15112 1 261 . 1 1 22 22 VAL CG2 C 13 22.005 0.170 . 1 . . . . 41 VAL CG2 . 15112 1 262 . 1 1 22 22 VAL N N 15 121.272 0.390 . 1 . . . . 41 VAL N . 15112 1 263 . 1 1 23 23 VAL H H 1 8.807 0.070 . 1 . . . . 42 VAL H . 15112 1 264 . 1 1 23 23 VAL HA H 1 4.580 0.070 . 1 . . . . 42 VAL HA . 15112 1 265 . 1 1 23 23 VAL HB H 1 1.938 0.070 . 1 . . . . 42 VAL HB . 15112 1 266 . 1 1 23 23 VAL HG11 H 1 0.984 0.070 . 2 . . . . 42 VAL HG1 . 15112 1 267 . 1 1 23 23 VAL HG12 H 1 0.984 0.070 . 2 . . . . 42 VAL HG1 . 15112 1 268 . 1 1 23 23 VAL HG13 H 1 0.984 0.070 . 2 . . . . 42 VAL HG1 . 15112 1 269 . 1 1 23 23 VAL HG21 H 1 0.793 0.070 . 2 . . . . 42 VAL HG2 . 15112 1 270 . 1 1 23 23 VAL HG22 H 1 0.793 0.070 . 2 . . . . 42 VAL HG2 . 15112 1 271 . 1 1 23 23 VAL HG23 H 1 0.793 0.070 . 2 . . . . 42 VAL HG2 . 15112 1 272 . 1 1 23 23 VAL C C 13 175.005 0.160 . 1 . . . . 42 VAL C . 15112 1 273 . 1 1 23 23 VAL CA C 13 61.598 0.110 . 1 . . . . 42 VAL CA . 15112 1 274 . 1 1 23 23 VAL CB C 13 32.997 0.170 . 1 . . . . 42 VAL CB . 15112 1 275 . 1 1 23 23 VAL CG1 C 13 21.993 0.170 . 2 . . . . 42 VAL CG1 . 15112 1 276 . 1 1 23 23 VAL CG2 C 13 21.151 0.170 . 2 . . . . 42 VAL CG2 . 15112 1 277 . 1 1 23 23 VAL N N 15 129.406 0.390 . 1 . . . . 42 VAL N . 15112 1 278 . 1 1 24 24 ILE H H 1 9.272 0.070 . 1 . . . . 43 ILE H . 15112 1 279 . 1 1 24 24 ILE HA H 1 4.801 0.070 . 1 . . . . 43 ILE HA . 15112 1 280 . 1 1 24 24 ILE HB H 1 1.433 0.070 . 1 . . . . 43 ILE HB . 15112 1 281 . 1 1 24 24 ILE HG12 H 1 1.508 0.070 . 2 . . . . 43 ILE HG12 . 15112 1 282 . 1 1 24 24 ILE HG13 H 1 0.490 0.070 . 2 . . . . 43 ILE HG13 . 15112 1 283 . 1 1 24 24 ILE HG21 H 1 0.007 0.070 . 1 . . . . 43 ILE HG2 . 15112 1 284 . 1 1 24 24 ILE HG22 H 1 0.007 0.070 . 1 . . . . 43 ILE HG2 . 15112 1 285 . 1 1 24 24 ILE HG23 H 1 0.007 0.070 . 1 . . . . 43 ILE HG2 . 15112 1 286 . 1 1 24 24 ILE HD11 H 1 0.665 0.070 . 1 . . . . 43 ILE HD1 . 15112 1 287 . 1 1 24 24 ILE HD12 H 1 0.665 0.070 . 1 . . . . 43 ILE HD1 . 15112 1 288 . 1 1 24 24 ILE HD13 H 1 0.665 0.070 . 1 . . . . 43 ILE HD1 . 15112 1 289 . 1 1 24 24 ILE C C 13 174.579 0.160 . 1 . . . . 43 ILE C . 15112 1 290 . 1 1 24 24 ILE CA C 13 59.558 0.110 . 1 . . . . 43 ILE CA . 15112 1 291 . 1 1 24 24 ILE CB C 13 38.711 0.170 . 1 . . . . 43 ILE CB . 15112 1 292 . 1 1 24 24 ILE CG1 C 13 26.082 0.170 . 1 . . . . 43 ILE CG1 . 15112 1 293 . 1 1 24 24 ILE CG2 C 13 18.186 0.170 . 1 . . . . 43 ILE CG2 . 15112 1 294 . 1 1 24 24 ILE CD1 C 13 15.222 0.170 . 1 . . . . 43 ILE CD1 . 15112 1 295 . 1 1 24 24 ILE N N 15 130.483 0.390 . 1 . . . . 43 ILE N . 15112 1 296 . 1 1 25 25 ASP H H 1 9.050 0.070 . 1 . . . . 44 ASP H . 15112 1 297 . 1 1 25 25 ASP HA H 1 5.234 0.070 . 1 . . . . 44 ASP HA . 15112 1 298 . 1 1 25 25 ASP HB2 H 1 2.356 0.070 . 2 . . . . 44 ASP HB2 . 15112 1 299 . 1 1 25 25 ASP HB3 H 1 2.219 0.070 . 2 . . . . 44 ASP HB3 . 15112 1 300 . 1 1 25 25 ASP C C 13 175.761 0.160 . 1 . . . . 44 ASP C . 15112 1 301 . 1 1 25 25 ASP CA C 13 52.905 0.110 . 1 . . . . 44 ASP CA . 15112 1 302 . 1 1 25 25 ASP CB C 13 45.365 0.170 . 1 . . . . 44 ASP CB . 15112 1 303 . 1 1 25 25 ASP CG C 13 179.408 0.170 . 1 . . . . 44 ASP CG . 15112 1 304 . 1 1 25 25 ASP N N 15 125.184 0.390 . 1 . . . . 44 ASP N . 15112 1 305 . 1 1 26 26 GLU H H 1 7.869 0.070 . 1 . . . . 45 GLU H . 15112 1 306 . 1 1 26 26 GLU HA H 1 4.229 0.070 . 1 . . . . 45 GLU HA . 15112 1 307 . 1 1 26 26 GLU HB2 H 1 2.026 0.070 . 2 . . . . 45 GLU HB2 . 15112 1 308 . 1 1 26 26 GLU HB3 H 1 1.969 0.070 . 2 . . . . 45 GLU HB3 . 15112 1 309 . 1 1 26 26 GLU HG2 H 1 2.265 0.070 . 2 . . . . 45 GLU HG2 . 15112 1 310 . 1 1 26 26 GLU HG3 H 1 2.049 0.070 . 2 . . . . 45 GLU HG3 . 15112 1 311 . 1 1 26 26 GLU C C 13 176.459 0.160 . 1 . . . . 45 GLU C . 15112 1 312 . 1 1 26 26 GLU CA C 13 56.488 0.110 . 1 . . . . 45 GLU CA . 15112 1 313 . 1 1 26 26 GLU CB C 13 29.560 0.170 . 1 . . . . 45 GLU CB . 15112 1 314 . 1 1 26 26 GLU CG C 13 36.642 0.170 . 1 . . . . 45 GLU CG . 15112 1 315 . 1 1 26 26 GLU CD C 13 183.950 0.170 . 1 . . . . 45 GLU CD . 15112 1 316 . 1 1 26 26 GLU N N 15 120.792 0.390 . 1 . . . . 45 GLU N . 15112 1 317 . 1 1 27 27 THR H H 1 7.634 0.070 . 1 . . . . 46 THR H . 15112 1 318 . 1 1 27 27 THR HA H 1 4.989 0.070 . 1 . . . . 46 THR HA . 15112 1 319 . 1 1 27 27 THR HB H 1 4.416 0.070 . 1 . . . . 46 THR HB . 15112 1 320 . 1 1 27 27 THR HG21 H 1 1.125 0.070 . 1 . . . . 46 THR HG2 . 15112 1 321 . 1 1 27 27 THR HG22 H 1 1.125 0.070 . 1 . . . . 46 THR HG2 . 15112 1 322 . 1 1 27 27 THR HG23 H 1 1.125 0.070 . 1 . . . . 46 THR HG2 . 15112 1 323 . 1 1 27 27 THR C C 13 175.687 0.160 . 1 . . . . 46 THR C . 15112 1 324 . 1 1 27 27 THR CA C 13 59.897 0.110 . 1 . . . . 46 THR CA . 15112 1 325 . 1 1 27 27 THR CB C 13 73.261 0.170 . 1 . . . . 46 THR CB . 15112 1 326 . 1 1 27 27 THR CG2 C 13 21.479 0.170 . 1 . . . . 46 THR CG2 . 15112 1 327 . 1 1 27 27 THR N N 15 116.104 0.390 . 1 . . . . 46 THR N . 15112 1 328 . 1 1 28 28 GLU H H 1 9.301 0.070 . 1 . . . . 47 GLU H . 15112 1 329 . 1 1 28 28 GLU HA H 1 4.117 0.070 . 1 . . . . 47 GLU HA . 15112 1 330 . 1 1 28 28 GLU HB2 H 1 2.054 0.070 . 2 . . . . 47 GLU HB2 . 15112 1 331 . 1 1 28 28 GLU HB3 H 1 2.002 0.070 . 2 . . . . 47 GLU HB3 . 15112 1 332 . 1 1 28 28 GLU HG2 H 1 2.317 0.070 . 2 . . . . 47 GLU HG2 . 15112 1 333 . 1 1 28 28 GLU HG3 H 1 2.297 0.070 . 2 . . . . 47 GLU HG3 . 15112 1 334 . 1 1 28 28 GLU C C 13 176.925 0.160 . 1 . . . . 47 GLU C . 15112 1 335 . 1 1 28 28 GLU CA C 13 58.675 0.110 . 1 . . . . 47 GLU CA . 15112 1 336 . 1 1 28 28 GLU CB C 13 28.905 0.170 . 1 . . . . 47 GLU CB . 15112 1 337 . 1 1 28 28 GLU CG C 13 35.988 0.170 . 1 . . . . 47 GLU CG . 15112 1 338 . 1 1 28 28 GLU CD C 13 184.113 0.170 . 1 . . . . 47 GLU CD . 15112 1 339 . 1 1 28 28 GLU N N 15 122.400 0.390 . 1 . . . . 47 GLU N . 15112 1 340 . 1 1 29 29 GLY H H 1 8.025 0.070 . 1 . . . . 48 GLY H . 15112 1 341 . 1 1 29 29 GLY HA2 H 1 4.368 0.070 . 2 . . . . 48 GLY HA2 . 15112 1 342 . 1 1 29 29 GLY HA3 H 1 3.477 0.070 . 2 . . . . 48 GLY HA3 . 15112 1 343 . 1 1 29 29 GLY C C 13 172.820 0.160 . 1 . . . . 48 GLY C . 15112 1 344 . 1 1 29 29 GLY CA C 13 44.350 0.110 . 1 . . . . 48 GLY CA . 15112 1 345 . 1 1 29 29 GLY N N 15 106.896 0.390 . 1 . . . . 48 GLY N . 15112 1 346 . 1 1 30 30 GLY H H 1 7.144 0.070 . 1 . . . . 49 GLY H . 15112 1 347 . 1 1 30 30 GLY HA2 H 1 4.694 0.070 . 2 . . . . 49 GLY HA2 . 15112 1 348 . 1 1 30 30 GLY HA3 H 1 4.027 0.070 . 2 . . . . 49 GLY HA3 . 15112 1 349 . 1 1 30 30 GLY C C 13 175.075 0.160 . 1 . . . . 49 GLY C . 15112 1 350 . 1 1 30 30 GLY CA C 13 43.413 0.110 . 1 . . . . 49 GLY CA . 15112 1 351 . 1 1 30 30 GLY N N 15 107.924 0.390 . 1 . . . . 49 GLY N . 15112 1 352 . 1 1 31 31 LEU H H 1 7.684 0.070 . 1 . . . . 50 LEU H . 15112 1 353 . 1 1 31 31 LEU HA H 1 4.460 0.070 . 1 . . . . 50 LEU HA . 15112 1 354 . 1 1 31 31 LEU HB2 H 1 1.665 0.070 . 2 . . . . 50 LEU HB2 . 15112 1 355 . 1 1 31 31 LEU HB3 H 1 0.647 0.070 . 2 . . . . 50 LEU HB3 . 15112 1 356 . 1 1 31 31 LEU HG H 1 1.559 0.070 . 1 . . . . 50 LEU HG . 15112 1 357 . 1 1 31 31 LEU HD11 H 1 0.604 0.070 . 2 . . . . 50 LEU HD1 . 15112 1 358 . 1 1 31 31 LEU HD12 H 1 0.604 0.070 . 2 . . . . 50 LEU HD1 . 15112 1 359 . 1 1 31 31 LEU HD13 H 1 0.604 0.070 . 2 . . . . 50 LEU HD1 . 15112 1 360 . 1 1 31 31 LEU HD21 H 1 0.438 0.070 . 2 . . . . 50 LEU HD2 . 15112 1 361 . 1 1 31 31 LEU HD22 H 1 0.438 0.070 . 2 . . . . 50 LEU HD2 . 15112 1 362 . 1 1 31 31 LEU HD23 H 1 0.438 0.070 . 2 . . . . 50 LEU HD2 . 15112 1 363 . 1 1 31 31 LEU C C 13 174.221 0.160 . 1 . . . . 50 LEU C . 15112 1 364 . 1 1 31 31 LEU CA C 13 55.179 0.110 . 1 . . . . 50 LEU CA . 15112 1 365 . 1 1 31 31 LEU CB C 13 42.407 0.170 . 1 . . . . 50 LEU CB . 15112 1 366 . 1 1 31 31 LEU CG C 13 28.865 0.170 . 1 . . . . 50 LEU CG . 15112 1 367 . 1 1 31 31 LEU CD1 C 13 26.086 0.170 . 2 . . . . 50 LEU CD1 . 15112 1 368 . 1 1 31 31 LEU CD2 C 13 23.290 0.170 . 2 . . . . 50 LEU CD2 . 15112 1 369 . 1 1 31 31 LEU N N 15 121.794 0.390 . 1 . . . . 50 LEU N . 15112 1 370 . 1 1 32 32 LYS H H 1 8.831 0.070 . 1 . . . . 51 LYS H . 15112 1 371 . 1 1 32 32 LYS HA H 1 5.091 0.070 . 1 . . . . 51 LYS HA . 15112 1 372 . 1 1 32 32 LYS HB2 H 1 1.707 0.070 . 2 . . . . 51 LYS HB2 . 15112 1 373 . 1 1 32 32 LYS HB3 H 1 1.512 0.070 . 2 . . . . 51 LYS HB3 . 15112 1 374 . 1 1 32 32 LYS HG2 H 1 1.302 0.070 . 1 . . . . 51 LYS HG2 . 15112 1 375 . 1 1 32 32 LYS HG3 H 1 1.302 0.070 . 1 . . . . 51 LYS HG3 . 15112 1 376 . 1 1 32 32 LYS HD2 H 1 1.567 0.070 . 1 . . . . 51 LYS HD2 . 15112 1 377 . 1 1 32 32 LYS HD3 H 1 1.567 0.070 . 1 . . . . 51 LYS HD3 . 15112 1 378 . 1 1 32 32 LYS HE2 H 1 2.848 0.070 . 2 . . . . 51 LYS HE2 . 15112 1 379 . 1 1 32 32 LYS HE3 H 1 2.761 0.070 . 2 . . . . 51 LYS HE3 . 15112 1 380 . 1 1 32 32 LYS C C 13 174.936 0.160 . 1 . . . . 51 LYS C . 15112 1 381 . 1 1 32 32 LYS CA C 13 54.367 0.110 . 1 . . . . 51 LYS CA . 15112 1 382 . 1 1 32 32 LYS CB C 13 36.440 0.170 . 1 . . . . 51 LYS CB . 15112 1 383 . 1 1 32 32 LYS CG C 13 24.663 0.170 . 1 . . . . 51 LYS CG . 15112 1 384 . 1 1 32 32 LYS CD C 13 29.773 0.170 . 1 . . . . 51 LYS CD . 15112 1 385 . 1 1 32 32 LYS CE C 13 41.899 0.170 . 1 . . . . 51 LYS CE . 15112 1 386 . 1 1 32 32 LYS N N 15 125.700 0.390 . 1 . . . . 51 LYS N . 15112 1 387 . 1 1 33 33 PHE H H 1 9.855 0.070 . 1 . . . . 52 PHE H . 15112 1 388 . 1 1 33 33 PHE HA H 1 4.878 0.070 . 1 . . . . 52 PHE HA . 15112 1 389 . 1 1 33 33 PHE HB2 H 1 3.417 0.070 . 2 . . . . 52 PHE HB2 . 15112 1 390 . 1 1 33 33 PHE HB3 H 1 2.448 0.070 . 2 . . . . 52 PHE HB3 . 15112 1 391 . 1 1 33 33 PHE HD1 H 1 7.025 0.070 . 1 . . . . 52 PHE HD1 . 15112 1 392 . 1 1 33 33 PHE HD2 H 1 7.025 0.070 . 1 . . . . 52 PHE HD2 . 15112 1 393 . 1 1 33 33 PHE HE1 H 1 6.622 0.070 . 1 . . . . 52 PHE HE1 . 15112 1 394 . 1 1 33 33 PHE HE2 H 1 6.622 0.070 . 1 . . . . 52 PHE HE2 . 15112 1 395 . 1 1 33 33 PHE HZ H 1 6.675 0.070 . 1 . . . . 52 PHE HZ . 15112 1 396 . 1 1 33 33 PHE C C 13 175.184 0.160 . 1 . . . . 52 PHE C . 15112 1 397 . 1 1 33 33 PHE CA C 13 55.824 0.110 . 1 . . . . 52 PHE CA . 15112 1 398 . 1 1 33 33 PHE CB C 13 39.331 0.170 . 1 . . . . 52 PHE CB . 15112 1 399 . 1 1 33 33 PHE CG C 13 139.112 0.170 . 1 . . . . 52 PHE CG . 15112 1 400 . 1 1 33 33 PHE CD1 C 13 131.812 0.170 . 1 . . . . 52 PHE CD1 . 15112 1 401 . 1 1 33 33 PHE CD2 C 13 131.812 0.170 . 1 . . . . 52 PHE CD2 . 15112 1 402 . 1 1 33 33 PHE CE1 C 13 129.385 0.170 . 1 . . . . 52 PHE CE1 . 15112 1 403 . 1 1 33 33 PHE CE2 C 13 129.385 0.170 . 1 . . . . 52 PHE CE2 . 15112 1 404 . 1 1 33 33 PHE CZ C 13 126.353 0.170 . 1 . . . . 52 PHE CZ . 15112 1 405 . 1 1 33 33 PHE N N 15 128.087 0.390 . 1 . . . . 52 PHE N . 15112 1 406 . 1 1 34 34 THR H H 1 9.756 0.070 . 1 . . . . 53 THR H . 15112 1 407 . 1 1 34 34 THR HA H 1 4.626 0.070 . 1 . . . . 53 THR HA . 15112 1 408 . 1 1 34 34 THR HB H 1 4.075 0.070 . 1 . . . . 53 THR HB . 15112 1 409 . 1 1 34 34 THR HG21 H 1 0.983 0.070 . 1 . . . . 53 THR HG2 . 15112 1 410 . 1 1 34 34 THR HG22 H 1 0.983 0.070 . 1 . . . . 53 THR HG2 . 15112 1 411 . 1 1 34 34 THR HG23 H 1 0.983 0.070 . 1 . . . . 53 THR HG2 . 15112 1 412 . 1 1 34 34 THR C C 13 173.237 0.160 . 1 . . . . 53 THR C . 15112 1 413 . 1 1 34 34 THR CA C 13 60.135 0.110 . 1 . . . . 53 THR CA . 15112 1 414 . 1 1 34 34 THR CB C 13 69.105 0.170 . 1 . . . . 53 THR CB . 15112 1 415 . 1 1 34 34 THR CG2 C 13 21.037 0.170 . 1 . . . . 53 THR CG2 . 15112 1 416 . 1 1 34 34 THR N N 15 121.983 0.390 . 1 . . . . 53 THR N . 15112 1 417 . 1 1 35 35 PRO HA H 1 4.597 0.070 . 1 . . . . 54 PRO HA . 15112 1 418 . 1 1 35 35 PRO HB2 H 1 1.787 0.070 . 2 . . . . 54 PRO HB2 . 15112 1 419 . 1 1 35 35 PRO HB3 H 1 1.587 0.070 . 2 . . . . 54 PRO HB3 . 15112 1 420 . 1 1 35 35 PRO HG2 H 1 1.755 0.070 . 2 . . . . 54 PRO HG2 . 15112 1 421 . 1 1 35 35 PRO HG3 H 1 1.702 0.070 . 2 . . . . 54 PRO HG3 . 15112 1 422 . 1 1 35 35 PRO HD2 H 1 3.907 0.070 . 2 . . . . 54 PRO HD2 . 15112 1 423 . 1 1 35 35 PRO HD3 H 1 3.401 0.070 . 2 . . . . 54 PRO HD3 . 15112 1 424 . 1 1 35 35 PRO C C 13 174.105 0.160 . 1 . . . . 54 PRO C . 15112 1 425 . 1 1 35 35 PRO CA C 13 62.342 0.110 . 1 . . . . 54 PRO CA . 15112 1 426 . 1 1 35 35 PRO CB C 13 32.249 0.170 . 1 . . . . 54 PRO CB . 15112 1 427 . 1 1 35 35 PRO CG C 13 25.888 0.170 . 1 . . . . 54 PRO CG . 15112 1 428 . 1 1 35 35 PRO CD C 13 51.437 0.170 . 1 . . . . 54 PRO CD . 15112 1 429 . 1 1 35 35 PRO N N 15 140.373 0.390 . 1 . . . . 54 PRO N . 15112 1 430 . 1 1 36 36 HIS H H 1 8.842 0.070 . 1 . . . . 55 HIS H . 15112 1 431 . 1 1 36 36 HIS HA H 1 4.789 0.070 . 1 . . . . 55 HIS HA . 15112 1 432 . 1 1 36 36 HIS HB2 H 1 3.218 0.070 . 2 . . . . 55 HIS HB2 . 15112 1 433 . 1 1 36 36 HIS HB3 H 1 3.119 0.070 . 2 . . . . 55 HIS HB3 . 15112 1 434 . 1 1 36 36 HIS HD2 H 1 6.875 0.070 . 1 . . . . 55 HIS HD2 . 15112 1 435 . 1 1 36 36 HIS HE1 H 1 8.241 0.070 . 1 . . . . 55 HIS HE1 . 15112 1 436 . 1 1 36 36 HIS C C 13 175.048 0.160 . 1 . . . . 55 HIS C . 15112 1 437 . 1 1 36 36 HIS CA C 13 55.320 0.110 . 1 . . . . 55 HIS CA . 15112 1 438 . 1 1 36 36 HIS CB C 13 28.211 0.170 . 1 . . . . 55 HIS CB . 15112 1 439 . 1 1 36 36 HIS CG C 13 133.143 0.170 . 1 . . . . 55 HIS CG . 15112 1 440 . 1 1 36 36 HIS CD2 C 13 119.101 0.170 . 1 . . . . 55 HIS CD2 . 15112 1 441 . 1 1 36 36 HIS CE1 C 13 136.681 0.170 . 1 . . . . 55 HIS CE1 . 15112 1 442 . 1 1 36 36 HIS N N 15 122.733 0.390 . 1 . . . . 55 HIS N . 15112 1 443 . 1 1 37 37 LEU H H 1 7.711 0.070 . 1 . . . . 56 LEU H . 15112 1 444 . 1 1 37 37 LEU HA H 1 5.540 0.070 . 1 . . . . 56 LEU HA . 15112 1 445 . 1 1 37 37 LEU HB2 H 1 1.650 0.070 . 2 . . . . 56 LEU HB2 . 15112 1 446 . 1 1 37 37 LEU HB3 H 1 1.329 0.070 . 2 . . . . 56 LEU HB3 . 15112 1 447 . 1 1 37 37 LEU HG H 1 1.574 0.070 . 1 . . . . 56 LEU HG . 15112 1 448 . 1 1 37 37 LEU HD11 H 1 0.514 0.070 . 2 . . . . 56 LEU HD1 . 15112 1 449 . 1 1 37 37 LEU HD12 H 1 0.514 0.070 . 2 . . . . 56 LEU HD1 . 15112 1 450 . 1 1 37 37 LEU HD13 H 1 0.514 0.070 . 2 . . . . 56 LEU HD1 . 15112 1 451 . 1 1 37 37 LEU HD21 H 1 0.520 0.070 . 2 . . . . 56 LEU HD2 . 15112 1 452 . 1 1 37 37 LEU HD22 H 1 0.520 0.070 . 2 . . . . 56 LEU HD2 . 15112 1 453 . 1 1 37 37 LEU HD23 H 1 0.520 0.070 . 2 . . . . 56 LEU HD2 . 15112 1 454 . 1 1 37 37 LEU C C 13 175.908 0.160 . 1 . . . . 56 LEU C . 15112 1 455 . 1 1 37 37 LEU CA C 13 52.837 0.110 . 1 . . . . 56 LEU CA . 15112 1 456 . 1 1 37 37 LEU CB C 13 46.699 0.170 . 1 . . . . 56 LEU CB . 15112 1 457 . 1 1 37 37 LEU CG C 13 26.102 0.170 . 1 . . . . 56 LEU CG . 15112 1 458 . 1 1 37 37 LEU CD1 C 13 26.701 0.170 . 2 . . . . 56 LEU CD1 . 15112 1 459 . 1 1 37 37 LEU CD2 C 13 23.832 0.170 . 2 . . . . 56 LEU CD2 . 15112 1 460 . 1 1 37 37 LEU N N 15 121.978 0.390 . 1 . . . . 56 LEU N . 15112 1 461 . 1 1 38 38 LYS H H 1 8.251 0.070 . 1 . . . . 57 LYS H . 15112 1 462 . 1 1 38 38 LYS HA H 1 4.943 0.070 . 1 . . . . 57 LYS HA . 15112 1 463 . 1 1 38 38 LYS HB2 H 1 1.717 0.070 . 1 . . . . 57 LYS HB2 . 15112 1 464 . 1 1 38 38 LYS HB3 H 1 1.717 0.070 . 1 . . . . 57 LYS HB3 . 15112 1 465 . 1 1 38 38 LYS HG2 H 1 1.367 0.070 . 2 . . . . 57 LYS HG2 . 15112 1 466 . 1 1 38 38 LYS HG3 H 1 1.202 0.070 . 2 . . . . 57 LYS HG3 . 15112 1 467 . 1 1 38 38 LYS HD2 H 1 1.572 0.070 . 1 . . . . 57 LYS HD2 . 15112 1 468 . 1 1 38 38 LYS HD3 H 1 1.572 0.070 . 1 . . . . 57 LYS HD3 . 15112 1 469 . 1 1 38 38 LYS HE2 H 1 2.851 0.070 . 1 . . . . 57 LYS HE2 . 15112 1 470 . 1 1 38 38 LYS HE3 H 1 2.851 0.070 . 1 . . . . 57 LYS HE3 . 15112 1 471 . 1 1 38 38 LYS C C 13 172.748 0.160 . 1 . . . . 57 LYS C . 15112 1 472 . 1 1 38 38 LYS CA C 13 54.228 0.110 . 1 . . . . 57 LYS CA . 15112 1 473 . 1 1 38 38 LYS CB C 13 35.199 0.170 . 1 . . . . 57 LYS CB . 15112 1 474 . 1 1 38 38 LYS CG C 13 23.184 0.170 . 1 . . . . 57 LYS CG . 15112 1 475 . 1 1 38 38 LYS CD C 13 29.383 0.170 . 1 . . . . 57 LYS CD . 15112 1 476 . 1 1 38 38 LYS CE C 13 42.043 0.170 . 1 . . . . 57 LYS CE . 15112 1 477 . 1 1 38 38 LYS N N 15 121.275 0.390 . 1 . . . . 57 LYS N . 15112 1 478 . 1 1 39 39 ALA H H 1 8.056 0.070 . 1 . . . . 58 ALA H . 15112 1 479 . 1 1 39 39 ALA HA H 1 3.935 0.070 . 1 . . . . 58 ALA HA . 15112 1 480 . 1 1 39 39 ALA HB1 H 1 1.417 0.070 . 1 . . . . 58 ALA HB . 15112 1 481 . 1 1 39 39 ALA HB2 H 1 1.417 0.070 . 1 . . . . 58 ALA HB . 15112 1 482 . 1 1 39 39 ALA HB3 H 1 1.417 0.070 . 1 . . . . 58 ALA HB . 15112 1 483 . 1 1 39 39 ALA C C 13 176.914 0.160 . 1 . . . . 58 ALA C . 15112 1 484 . 1 1 39 39 ALA CA C 13 52.565 0.110 . 1 . . . . 58 ALA CA . 15112 1 485 . 1 1 39 39 ALA CB C 13 16.642 0.170 . 1 . . . . 58 ALA CB . 15112 1 486 . 1 1 39 39 ALA N N 15 114.869 0.390 . 1 . . . . 58 ALA N . 15112 1 487 . 1 1 40 40 LEU H H 1 8.422 0.070 . 1 . . . . 59 LEU H . 15112 1 488 . 1 1 40 40 LEU HA H 1 4.661 0.070 . 1 . . . . 59 LEU HA . 15112 1 489 . 1 1 40 40 LEU HB2 H 1 1.310 0.070 . 2 . . . . 59 LEU HB2 . 15112 1 490 . 1 1 40 40 LEU HB3 H 1 0.616 0.070 . 2 . . . . 59 LEU HB3 . 15112 1 491 . 1 1 40 40 LEU HG H 1 1.557 0.070 . 1 . . . . 59 LEU HG . 15112 1 492 . 1 1 40 40 LEU HD11 H 1 0.437 0.070 . 2 . . . . 59 LEU HD1 . 15112 1 493 . 1 1 40 40 LEU HD12 H 1 0.437 0.070 . 2 . . . . 59 LEU HD1 . 15112 1 494 . 1 1 40 40 LEU HD13 H 1 0.437 0.070 . 2 . . . . 59 LEU HD1 . 15112 1 495 . 1 1 40 40 LEU HD21 H 1 0.516 0.070 . 2 . . . . 59 LEU HD2 . 15112 1 496 . 1 1 40 40 LEU HD22 H 1 0.516 0.070 . 2 . . . . 59 LEU HD2 . 15112 1 497 . 1 1 40 40 LEU HD23 H 1 0.516 0.070 . 2 . . . . 59 LEU HD2 . 15112 1 498 . 1 1 40 40 LEU C C 13 174.507 0.160 . 1 . . . . 59 LEU C . 15112 1 499 . 1 1 40 40 LEU CA C 13 52.086 0.110 . 1 . . . . 59 LEU CA . 15112 1 500 . 1 1 40 40 LEU CB C 13 44.416 0.170 . 1 . . . . 59 LEU CB . 15112 1 501 . 1 1 40 40 LEU CG C 13 26.189 0.170 . 1 . . . . 59 LEU CG . 15112 1 502 . 1 1 40 40 LEU CD1 C 13 27.624 0.170 . 2 . . . . 59 LEU CD1 . 15112 1 503 . 1 1 40 40 LEU CD2 C 13 24.730 0.170 . 2 . . . . 59 LEU CD2 . 15112 1 504 . 1 1 40 40 LEU N N 15 119.630 0.390 . 1 . . . . 59 LEU N . 15112 1 505 . 1 1 41 41 PRO HA H 1 4.629 0.070 . 1 . . . . 60 PRO HA . 15112 1 506 . 1 1 41 41 PRO HB2 H 1 2.322 0.070 . 2 . . . . 60 PRO HB2 . 15112 1 507 . 1 1 41 41 PRO HB3 H 1 1.595 0.070 . 2 . . . . 60 PRO HB3 . 15112 1 508 . 1 1 41 41 PRO HG2 H 1 1.671 0.070 . 2 . . . . 60 PRO HG2 . 15112 1 509 . 1 1 41 41 PRO HG3 H 1 1.502 0.070 . 2 . . . . 60 PRO HG3 . 15112 1 510 . 1 1 41 41 PRO HD2 H 1 3.318 0.070 . 2 . . . . 60 PRO HD2 . 15112 1 511 . 1 1 41 41 PRO HD3 H 1 2.359 0.070 . 2 . . . . 60 PRO HD3 . 15112 1 512 . 1 1 41 41 PRO C C 13 175.595 0.160 . 1 . . . . 60 PRO C . 15112 1 513 . 1 1 41 41 PRO CA C 13 60.138 0.110 . 1 . . . . 60 PRO CA . 15112 1 514 . 1 1 41 41 PRO CB C 13 30.918 0.170 . 1 . . . . 60 PRO CB . 15112 1 515 . 1 1 41 41 PRO CG C 13 27.389 0.170 . 1 . . . . 60 PRO CG . 15112 1 516 . 1 1 41 41 PRO CD C 13 49.769 0.170 . 1 . . . . 60 PRO CD . 15112 1 517 . 1 1 41 41 PRO N N 15 136.698 0.390 . 1 . . . . 60 PRO N . 15112 1 518 . 1 1 42 42 PRO HA H 1 3.885 0.070 . 1 . . . . 61 PRO HA . 15112 1 519 . 1 1 42 42 PRO HB2 H 1 2.170 0.070 . 2 . . . . 61 PRO HB2 . 15112 1 520 . 1 1 42 42 PRO HB3 H 1 1.737 0.070 . 2 . . . . 61 PRO HB3 . 15112 1 521 . 1 1 42 42 PRO HG2 H 1 2.067 0.070 . 2 . . . . 61 PRO HG2 . 15112 1 522 . 1 1 42 42 PRO HG3 H 1 1.938 0.070 . 2 . . . . 61 PRO HG3 . 15112 1 523 . 1 1 42 42 PRO HD2 H 1 3.975 0.070 . 2 . . . . 61 PRO HD2 . 15112 1 524 . 1 1 42 42 PRO HD3 H 1 3.528 0.070 . 2 . . . . 61 PRO HD3 . 15112 1 525 . 1 1 42 42 PRO C C 13 176.133 0.160 . 1 . . . . 61 PRO C . 15112 1 526 . 1 1 42 42 PRO CA C 13 63.653 0.110 . 1 . . . . 61 PRO CA . 15112 1 527 . 1 1 42 42 PRO CB C 13 33.109 0.170 . 1 . . . . 61 PRO CB . 15112 1 528 . 1 1 42 42 PRO CG C 13 27.786 0.170 . 1 . . . . 61 PRO CG . 15112 1 529 . 1 1 42 42 PRO CD C 13 50.934 0.170 . 1 . . . . 61 PRO CD . 15112 1 530 . 1 1 42 42 PRO N N 15 140.237 0.390 . 1 . . . . 61 PRO N . 15112 1 531 . 1 1 43 43 GLY H H 1 8.522 0.070 . 1 . . . . 62 GLY H . 15112 1 532 . 1 1 43 43 GLY HA2 H 1 4.422 0.070 . 2 . . . . 62 GLY HA2 . 15112 1 533 . 1 1 43 43 GLY HA3 H 1 3.679 0.070 . 2 . . . . 62 GLY HA3 . 15112 1 534 . 1 1 43 43 GLY C C 13 172.892 0.160 . 1 . . . . 62 GLY C . 15112 1 535 . 1 1 43 43 GLY CA C 13 43.273 0.110 . 1 . . . . 62 GLY CA . 15112 1 536 . 1 1 43 43 GLY N N 15 111.996 0.390 . 1 . . . . 62 GLY N . 15112 1 537 . 1 1 44 44 GLU H H 1 8.211 0.070 . 1 . . . . 63 GLU H . 15112 1 538 . 1 1 44 44 GLU HA H 1 4.583 0.070 . 1 . . . . 63 GLU HA . 15112 1 539 . 1 1 44 44 GLU HB2 H 1 1.789 0.070 . 2 . . . . 63 GLU HB2 . 15112 1 540 . 1 1 44 44 GLU HB3 H 1 1.592 0.070 . 2 . . . . 63 GLU HB3 . 15112 1 541 . 1 1 44 44 GLU HG2 H 1 2.266 0.070 . 2 . . . . 63 GLU HG2 . 15112 1 542 . 1 1 44 44 GLU HG3 H 1 1.983 0.070 . 2 . . . . 63 GLU HG3 . 15112 1 543 . 1 1 44 44 GLU C C 13 176.709 0.160 . 1 . . . . 63 GLU C . 15112 1 544 . 1 1 44 44 GLU CA C 13 55.552 0.110 . 1 . . . . 63 GLU CA . 15112 1 545 . 1 1 44 44 GLU CB C 13 30.655 0.170 . 1 . . . . 63 GLU CB . 15112 1 546 . 1 1 44 44 GLU CG C 13 36.660 0.170 . 1 . . . . 63 GLU CG . 15112 1 547 . 1 1 44 44 GLU CD C 13 182.878 0.170 . 1 . . . . 63 GLU CD . 15112 1 548 . 1 1 44 44 GLU N N 15 119.746 0.390 . 1 . . . . 63 GLU N . 15112 1 549 . 1 1 45 45 HIS H H 1 8.950 0.070 . 1 . . . . 64 HIS H . 15112 1 550 . 1 1 45 45 HIS HA H 1 4.991 0.070 . 1 . . . . 64 HIS HA . 15112 1 551 . 1 1 45 45 HIS HB2 H 1 3.505 0.070 . 2 . . . . 64 HIS HB2 . 15112 1 552 . 1 1 45 45 HIS HB3 H 1 2.590 0.070 . 2 . . . . 64 HIS HB3 . 15112 1 553 . 1 1 45 45 HIS HD1 H 1 12.765 0.070 . 1 . . . . 64 HIS HD1 . 15112 1 554 . 1 1 45 45 HIS HD2 H 1 6.926 0.070 . 1 . . . . 64 HIS HD2 . 15112 1 555 . 1 1 45 45 HIS HE1 H 1 8.540 0.070 . 1 . . . . 64 HIS HE1 . 15112 1 556 . 1 1 45 45 HIS HE2 H 1 13.136 0.070 . 1 . . . . 64 HIS HE2 . 15112 1 557 . 1 1 45 45 HIS C C 13 173.900 0.160 . 1 . . . . 64 HIS C . 15112 1 558 . 1 1 45 45 HIS CA C 13 53.448 0.110 . 1 . . . . 64 HIS CA . 15112 1 559 . 1 1 45 45 HIS CB C 13 31.324 0.170 . 1 . . . . 64 HIS CB . 15112 1 560 . 1 1 45 45 HIS CG C 13 131.067 0.170 . 1 . . . . 64 HIS CG . 15112 1 561 . 1 1 45 45 HIS CD2 C 13 120.008 0.170 . 1 . . . . 64 HIS CD2 . 15112 1 562 . 1 1 45 45 HIS CE1 C 13 135.973 0.170 . 1 . . . . 64 HIS CE1 . 15112 1 563 . 1 1 45 45 HIS N N 15 119.461 0.390 . 1 . . . . 64 HIS N . 15112 1 564 . 1 1 45 45 HIS ND1 N 15 175.378 0.390 . 1 . . . . 64 HIS ND1 . 15112 1 565 . 1 1 45 45 HIS NE2 N 15 173.217 0.390 . 1 . . . . 64 HIS NE2 . 15112 1 566 . 1 1 46 46 GLY H H 1 9.716 0.070 . 1 . . . . 65 GLY H . 15112 1 567 . 1 1 46 46 GLY HA2 H 1 4.039 0.070 . 2 . . . . 65 GLY HA2 . 15112 1 568 . 1 1 46 46 GLY HA3 H 1 3.080 0.070 . 2 . . . . 65 GLY HA3 . 15112 1 569 . 1 1 46 46 GLY C C 13 171.433 0.160 . 1 . . . . 65 GLY C . 15112 1 570 . 1 1 46 46 GLY CA C 13 46.453 0.110 . 1 . . . . 65 GLY CA . 15112 1 571 . 1 1 46 46 GLY N N 15 110.432 0.390 . 1 . . . . 65 GLY N . 15112 1 572 . 1 1 47 47 PHE H H 1 9.638 0.070 . 1 . . . . 66 PHE H . 15112 1 573 . 1 1 47 47 PHE HA H 1 5.807 0.070 . 1 . . . . 66 PHE HA . 15112 1 574 . 1 1 47 47 PHE HB2 H 1 3.597 0.070 . 2 . . . . 66 PHE HB2 . 15112 1 575 . 1 1 47 47 PHE HB3 H 1 2.677 0.070 . 2 . . . . 66 PHE HB3 . 15112 1 576 . 1 1 47 47 PHE HD1 H 1 7.413 0.070 . 1 . . . . 66 PHE HD1 . 15112 1 577 . 1 1 47 47 PHE HD2 H 1 7.413 0.070 . 1 . . . . 66 PHE HD2 . 15112 1 578 . 1 1 47 47 PHE HE1 H 1 6.949 0.070 . 1 . . . . 66 PHE HE1 . 15112 1 579 . 1 1 47 47 PHE HE2 H 1 6.949 0.070 . 1 . . . . 66 PHE HE2 . 15112 1 580 . 1 1 47 47 PHE HZ H 1 6.771 0.070 . 1 . . . . 66 PHE HZ . 15112 1 581 . 1 1 47 47 PHE C C 13 172.748 0.160 . 1 . . . . 66 PHE C . 15112 1 582 . 1 1 47 47 PHE CA C 13 53.192 0.110 . 1 . . . . 66 PHE CA . 15112 1 583 . 1 1 47 47 PHE CB C 13 40.558 0.170 . 1 . . . . 66 PHE CB . 15112 1 584 . 1 1 47 47 PHE CG C 13 141.338 0.170 . 1 . . . . 66 PHE CG . 15112 1 585 . 1 1 47 47 PHE CD1 C 13 131.812 0.170 . 1 . . . . 66 PHE CD1 . 15112 1 586 . 1 1 47 47 PHE CD2 C 13 131.812 0.170 . 1 . . . . 66 PHE CD2 . 15112 1 587 . 1 1 47 47 PHE CE1 C 13 130.908 0.170 . 1 . . . . 66 PHE CE1 . 15112 1 588 . 1 1 47 47 PHE CE2 C 13 130.908 0.170 . 1 . . . . 66 PHE CE2 . 15112 1 589 . 1 1 47 47 PHE CZ C 13 128.385 0.170 . 1 . . . . 66 PHE CZ . 15112 1 590 . 1 1 47 47 PHE N N 15 133.151 0.390 . 1 . . . . 66 PHE N . 15112 1 591 . 1 1 48 48 HIS H H 1 8.072 0.070 . 1 . . . . 67 HIS H . 15112 1 592 . 1 1 48 48 HIS HA H 1 5.211 0.070 . 1 . . . . 67 HIS HA . 15112 1 593 . 1 1 48 48 HIS HB2 H 1 2.784 0.070 . 2 . . . . 67 HIS HB2 . 15112 1 594 . 1 1 48 48 HIS HB3 H 1 2.412 0.070 . 2 . . . . 67 HIS HB3 . 15112 1 595 . 1 1 48 48 HIS HD2 H 1 7.431 0.070 . 1 . . . . 67 HIS HD2 . 15112 1 596 . 1 1 48 48 HIS HE1 H 1 6.941 0.070 . 1 . . . . 67 HIS HE1 . 15112 1 597 . 1 1 48 48 HIS HE2 H 1 11.137 0.070 . 1 . . . . 67 HIS HE2 . 15112 1 598 . 1 1 48 48 HIS C C 13 174.740 0.160 . 1 . . . . 67 HIS C . 15112 1 599 . 1 1 48 48 HIS CA C 13 51.445 0.110 . 1 . . . . 67 HIS CA . 15112 1 600 . 1 1 48 48 HIS CB C 13 35.498 0.170 . 1 . . . . 67 HIS CB . 15112 1 601 . 1 1 48 48 HIS CG C 13 137.188 0.170 . 1 . . . . 67 HIS CG . 15112 1 602 . 1 1 48 48 HIS CD2 C 13 119.271 0.170 . 1 . . . . 67 HIS CD2 . 15112 1 603 . 1 1 48 48 HIS CE1 C 13 138.113 0.170 . 1 . . . . 67 HIS CE1 . 15112 1 604 . 1 1 48 48 HIS N N 15 117.140 0.390 . 1 . . . . 67 HIS N . 15112 1 605 . 1 1 48 48 HIS NE2 N 15 168.287 0.390 . 1 . . . . 67 HIS NE2 . 15112 1 606 . 1 1 49 49 ILE H H 1 9.320 0.070 . 1 . . . . 68 ILE H . 15112 1 607 . 1 1 49 49 ILE HA H 1 4.993 0.070 . 1 . . . . 68 ILE HA . 15112 1 608 . 1 1 49 49 ILE HB H 1 1.583 0.070 . 1 . . . . 68 ILE HB . 15112 1 609 . 1 1 49 49 ILE HG12 H 1 1.459 0.070 . 2 . . . . 68 ILE HG12 . 15112 1 610 . 1 1 49 49 ILE HG13 H 1 0.907 0.070 . 2 . . . . 68 ILE HG13 . 15112 1 611 . 1 1 49 49 ILE HG21 H 1 0.986 0.070 . 1 . . . . 68 ILE HG2 . 15112 1 612 . 1 1 49 49 ILE HG22 H 1 0.986 0.070 . 1 . . . . 68 ILE HG2 . 15112 1 613 . 1 1 49 49 ILE HG23 H 1 0.986 0.070 . 1 . . . . 68 ILE HG2 . 15112 1 614 . 1 1 49 49 ILE HD11 H 1 0.783 0.070 . 1 . . . . 68 ILE HD1 . 15112 1 615 . 1 1 49 49 ILE HD12 H 1 0.783 0.070 . 1 . . . . 68 ILE HD1 . 15112 1 616 . 1 1 49 49 ILE HD13 H 1 0.783 0.070 . 1 . . . . 68 ILE HD1 . 15112 1 617 . 1 1 49 49 ILE C C 13 177.295 0.160 . 1 . . . . 68 ILE C . 15112 1 618 . 1 1 49 49 ILE CA C 13 60.064 0.110 . 1 . . . . 68 ILE CA . 15112 1 619 . 1 1 49 49 ILE CB C 13 37.913 0.170 . 1 . . . . 68 ILE CB . 15112 1 620 . 1 1 49 49 ILE CG1 C 13 28.070 0.170 . 1 . . . . 68 ILE CG1 . 15112 1 621 . 1 1 49 49 ILE CG2 C 13 19.607 0.170 . 1 . . . . 68 ILE CG2 . 15112 1 622 . 1 1 49 49 ILE CD1 C 13 13.803 0.170 . 1 . . . . 68 ILE CD1 . 15112 1 623 . 1 1 49 49 ILE N N 15 123.112 0.390 . 1 . . . . 68 ILE N . 15112 1 624 . 1 1 50 50 HIS H H 1 10.016 0.070 . 1 . . . . 69 HIS H . 15112 1 625 . 1 1 50 50 HIS HA H 1 5.031 0.070 . 1 . . . . 69 HIS HA . 15112 1 626 . 1 1 50 50 HIS HB2 H 1 3.452 0.070 . 2 . . . . 69 HIS HB2 . 15112 1 627 . 1 1 50 50 HIS HB3 H 1 2.825 0.070 . 2 . . . . 69 HIS HB3 . 15112 1 628 . 1 1 50 50 HIS HD1 H 1 12.124 0.070 . 1 . . . . 69 HIS HD1 . 15112 1 629 . 1 1 50 50 HIS HD2 H 1 7.049 0.070 . 1 . . . . 69 HIS HD2 . 15112 1 630 . 1 1 50 50 HIS HE1 H 1 8.269 0.070 . 1 . . . . 69 HIS HE1 . 15112 1 631 . 1 1 50 50 HIS C C 13 174.137 0.160 . 1 . . . . 69 HIS C . 15112 1 632 . 1 1 50 50 HIS CA C 13 56.265 0.110 . 1 . . . . 69 HIS CA . 15112 1 633 . 1 1 50 50 HIS CB C 13 31.182 0.170 . 1 . . . . 69 HIS CB . 15112 1 634 . 1 1 50 50 HIS CG C 13 132.000 0.170 . 1 . . . . 69 HIS CG . 15112 1 635 . 1 1 50 50 HIS CD2 C 13 128.174 0.170 . 1 . . . . 69 HIS CD2 . 15112 1 636 . 1 1 50 50 HIS CE1 C 13 136.550 0.170 . 1 . . . . 69 HIS CE1 . 15112 1 637 . 1 1 50 50 HIS N N 15 129.795 0.390 . 1 . . . . 69 HIS N . 15112 1 638 . 1 1 50 50 HIS ND1 N 15 171.444 0.390 . 1 . . . . 69 HIS ND1 . 15112 1 639 . 1 1 51 51 ALA H H 1 8.261 0.070 . 1 . . . . 70 ALA H . 15112 1 640 . 1 1 51 51 ALA HA H 1 3.793 0.070 . 1 . . . . 70 ALA HA . 15112 1 641 . 1 1 51 51 ALA HB1 H 1 1.288 0.070 . 1 . . . . 70 ALA HB . 15112 1 642 . 1 1 51 51 ALA HB2 H 1 1.288 0.070 . 1 . . . . 70 ALA HB . 15112 1 643 . 1 1 51 51 ALA HB3 H 1 1.288 0.070 . 1 . . . . 70 ALA HB . 15112 1 644 . 1 1 51 51 ALA C C 13 176.713 0.160 . 1 . . . . 70 ALA C . 15112 1 645 . 1 1 51 51 ALA CA C 13 55.322 0.110 . 1 . . . . 70 ALA CA . 15112 1 646 . 1 1 51 51 ALA CB C 13 20.299 0.170 . 1 . . . . 70 ALA CB . 15112 1 647 . 1 1 51 51 ALA N N 15 119.328 0.390 . 1 . . . . 70 ALA N . 15112 1 648 . 1 1 52 52 ASN H H 1 8.750 0.070 . 1 . . . . 71 ASN H . 15112 1 649 . 1 1 52 52 ASN HA H 1 5.184 0.070 . 1 . . . . 71 ASN HA . 15112 1 650 . 1 1 52 52 ASN HB2 H 1 2.804 0.070 . 2 . . . . 71 ASN HB2 . 15112 1 651 . 1 1 52 52 ASN HB3 H 1 2.677 0.070 . 2 . . . . 71 ASN HB3 . 15112 1 652 . 1 1 52 52 ASN HD21 H 1 6.933 0.070 . 2 . . . . 71 ASN HD21 . 15112 1 653 . 1 1 52 52 ASN HD22 H 1 6.798 0.070 . 2 . . . . 71 ASN HD22 . 15112 1 654 . 1 1 52 52 ASN C C 13 175.794 0.160 . 1 . . . . 71 ASN C . 15112 1 655 . 1 1 52 52 ASN CA C 13 50.287 0.110 . 1 . . . . 71 ASN CA . 15112 1 656 . 1 1 52 52 ASN CB C 13 40.407 0.170 . 1 . . . . 71 ASN CB . 15112 1 657 . 1 1 52 52 ASN CG C 13 176.116 0.170 . 1 . . . . 71 ASN CG . 15112 1 658 . 1 1 52 52 ASN N N 15 113.493 0.390 . 1 . . . . 71 ASN N . 15112 1 659 . 1 1 52 52 ASN ND2 N 15 112.607 0.390 . 1 . . . . 71 ASN ND2 . 15112 1 660 . 1 1 53 53 GLY H H 1 8.788 0.070 . 1 . . . . 72 GLY H . 15112 1 661 . 1 1 53 53 GLY HA2 H 1 3.835 0.070 . 2 . . . . 72 GLY HA2 . 15112 1 662 . 1 1 53 53 GLY HA3 H 1 3.076 0.070 . 2 . . . . 72 GLY HA3 . 15112 1 663 . 1 1 53 53 GLY C C 13 173.945 0.160 . 1 . . . . 72 GLY C . 15112 1 664 . 1 1 53 53 GLY CA C 13 46.590 0.110 . 1 . . . . 72 GLY CA . 15112 1 665 . 1 1 53 53 GLY N N 15 113.457 0.390 . 1 . . . . 72 GLY N . 15112 1 666 . 1 1 54 54 SER H H 1 7.511 0.070 . 1 . . . . 73 SER H . 15112 1 667 . 1 1 54 54 SER HA H 1 4.228 0.070 . 1 . . . . 73 SER HA . 15112 1 668 . 1 1 54 54 SER HB2 H 1 3.630 0.070 . 2 . . . . 73 SER HB2 . 15112 1 669 . 1 1 54 54 SER HB3 H 1 2.792 0.070 . 2 . . . . 73 SER HB3 . 15112 1 670 . 1 1 54 54 SER C C 13 172.215 0.160 . 1 . . . . 73 SER C . 15112 1 671 . 1 1 54 54 SER CA C 13 56.734 0.110 . 1 . . . . 73 SER CA . 15112 1 672 . 1 1 54 54 SER CB C 13 64.411 0.170 . 1 . . . . 73 SER CB . 15112 1 673 . 1 1 54 54 SER N N 15 116.015 0.390 . 1 . . . . 73 SER N . 15112 1 674 . 1 1 55 55 CYS H H 1 8.658 0.070 . 1 . . . . 74 CYS H . 15112 1 675 . 1 1 55 55 CYS HA H 1 4.659 0.070 . 1 . . . . 74 CYS HA . 15112 1 676 . 1 1 55 55 CYS HB2 H 1 3.120 0.070 . 2 . . . . 74 CYS HB2 . 15112 1 677 . 1 1 55 55 CYS HB3 H 1 2.317 0.070 . 2 . . . . 74 CYS HB3 . 15112 1 678 . 1 1 55 55 CYS C C 13 174.147 0.160 . 1 . . . . 74 CYS C . 15112 1 679 . 1 1 55 55 CYS CA C 13 52.292 0.110 . 1 . . . . 74 CYS CA . 15112 1 680 . 1 1 55 55 CYS CB C 13 39.974 0.170 . 1 . . . . 74 CYS CB . 15112 1 681 . 1 1 55 55 CYS N N 15 121.260 0.390 . 1 . . . . 74 CYS N . 15112 1 682 . 1 1 56 56 GLN H H 1 7.926 0.070 . 1 . . . . 75 GLN H . 15112 1 683 . 1 1 56 56 GLN HA H 1 3.975 0.070 . 1 . . . . 75 GLN HA . 15112 1 684 . 1 1 56 56 GLN HB2 H 1 2.217 0.070 . 2 . . . . 75 GLN HB2 . 15112 1 685 . 1 1 56 56 GLN HB3 H 1 1.508 0.070 . 2 . . . . 75 GLN HB3 . 15112 1 686 . 1 1 56 56 GLN HG2 H 1 2.407 0.070 . 2 . . . . 75 GLN HG2 . 15112 1 687 . 1 1 56 56 GLN HG3 H 1 2.344 0.070 . 2 . . . . 75 GLN HG3 . 15112 1 688 . 1 1 56 56 GLN HE21 H 1 7.569 0.070 . 2 . . . . 75 GLN HE21 . 15112 1 689 . 1 1 56 56 GLN HE22 H 1 6.837 0.070 . 2 . . . . 75 GLN HE22 . 15112 1 690 . 1 1 56 56 GLN C C 13 172.090 0.160 . 1 . . . . 75 GLN C . 15112 1 691 . 1 1 56 56 GLN CA C 13 54.154 0.110 . 1 . . . . 75 GLN CA . 15112 1 692 . 1 1 56 56 GLN CB C 13 26.859 0.170 . 1 . . . . 75 GLN CB . 15112 1 693 . 1 1 56 56 GLN CG C 13 33.105 0.170 . 1 . . . . 75 GLN CG . 15112 1 694 . 1 1 56 56 GLN CD C 13 179.670 0.170 . 1 . . . . 75 GLN CD . 15112 1 695 . 1 1 56 56 GLN N N 15 119.479 0.390 . 1 . . . . 75 GLN N . 15112 1 696 . 1 1 56 56 GLN NE2 N 15 114.055 0.390 . 1 . . . . 75 GLN NE2 . 15112 1 697 . 1 1 57 57 PRO HA H 1 4.935 0.070 . 1 . . . . 76 PRO HA . 15112 1 698 . 1 1 57 57 PRO HB2 H 1 2.111 0.070 . 2 . . . . 76 PRO HB2 . 15112 1 699 . 1 1 57 57 PRO HB3 H 1 1.628 0.070 . 2 . . . . 76 PRO HB3 . 15112 1 700 . 1 1 57 57 PRO HG2 H 1 1.802 0.070 . 1 . . . . 76 PRO HG2 . 15112 1 701 . 1 1 57 57 PRO HG3 H 1 1.802 0.070 . 1 . . . . 76 PRO HG3 . 15112 1 702 . 1 1 57 57 PRO HD2 H 1 3.571 0.070 . 2 . . . . 76 PRO HD2 . 15112 1 703 . 1 1 57 57 PRO HD3 H 1 3.501 0.070 . 2 . . . . 76 PRO HD3 . 15112 1 704 . 1 1 57 57 PRO C C 13 176.050 0.160 . 1 . . . . 76 PRO C . 15112 1 705 . 1 1 57 57 PRO CA C 13 62.036 0.110 . 1 . . . . 76 PRO CA . 15112 1 706 . 1 1 57 57 PRO CB C 13 32.934 0.170 . 1 . . . . 76 PRO CB . 15112 1 707 . 1 1 57 57 PRO CG C 13 27.252 0.170 . 1 . . . . 76 PRO CG . 15112 1 708 . 1 1 57 57 PRO CD C 13 50.325 0.170 . 1 . . . . 76 PRO CD . 15112 1 709 . 1 1 57 57 PRO N N 15 133.556 0.390 . 1 . . . . 76 PRO N . 15112 1 710 . 1 1 58 58 ALA H H 1 7.811 0.070 . 1 . . . . 77 ALA H . 15112 1 711 . 1 1 58 58 ALA HA H 1 4.493 0.070 . 1 . . . . 77 ALA HA . 15112 1 712 . 1 1 58 58 ALA HB1 H 1 1.114 0.070 . 1 . . . . 77 ALA HB . 15112 1 713 . 1 1 58 58 ALA HB2 H 1 1.114 0.070 . 1 . . . . 77 ALA HB . 15112 1 714 . 1 1 58 58 ALA HB3 H 1 1.114 0.070 . 1 . . . . 77 ALA HB . 15112 1 715 . 1 1 58 58 ALA C C 13 175.198 0.160 . 1 . . . . 77 ALA C . 15112 1 716 . 1 1 58 58 ALA CA C 13 50.936 0.110 . 1 . . . . 77 ALA CA . 15112 1 717 . 1 1 58 58 ALA CB C 13 22.055 0.170 . 1 . . . . 77 ALA CB . 15112 1 718 . 1 1 58 58 ALA N N 15 118.233 0.390 . 1 . . . . 77 ALA N . 15112 1 719 . 1 1 59 59 ILE H H 1 8.390 0.070 . 1 . . . . 78 ILE H . 15112 1 720 . 1 1 59 59 ILE HA H 1 4.304 0.070 . 1 . . . . 78 ILE HA . 15112 1 721 . 1 1 59 59 ILE HB H 1 1.709 0.070 . 1 . . . . 78 ILE HB . 15112 1 722 . 1 1 59 59 ILE HG12 H 1 1.365 0.070 . 2 . . . . 78 ILE HG12 . 15112 1 723 . 1 1 59 59 ILE HG13 H 1 1.079 0.070 . 2 . . . . 78 ILE HG13 . 15112 1 724 . 1 1 59 59 ILE HG21 H 1 0.591 0.070 . 1 . . . . 78 ILE HG2 . 15112 1 725 . 1 1 59 59 ILE HG22 H 1 0.591 0.070 . 1 . . . . 78 ILE HG2 . 15112 1 726 . 1 1 59 59 ILE HG23 H 1 0.591 0.070 . 1 . . . . 78 ILE HG2 . 15112 1 727 . 1 1 59 59 ILE HD11 H 1 0.604 0.070 . 1 . . . . 78 ILE HD1 . 15112 1 728 . 1 1 59 59 ILE HD12 H 1 0.604 0.070 . 1 . . . . 78 ILE HD1 . 15112 1 729 . 1 1 59 59 ILE HD13 H 1 0.604 0.070 . 1 . . . . 78 ILE HD1 . 15112 1 730 . 1 1 59 59 ILE C C 13 176.272 0.160 . 1 . . . . 78 ILE C . 15112 1 731 . 1 1 59 59 ILE CA C 13 59.900 0.110 . 1 . . . . 78 ILE CA . 15112 1 732 . 1 1 59 59 ILE CB C 13 36.488 0.170 . 1 . . . . 78 ILE CB . 15112 1 733 . 1 1 59 59 ILE CG1 C 13 27.197 0.170 . 1 . . . . 78 ILE CG1 . 15112 1 734 . 1 1 59 59 ILE CG2 C 13 16.964 0.170 . 1 . . . . 78 ILE CG2 . 15112 1 735 . 1 1 59 59 ILE CD1 C 13 10.579 0.170 . 1 . . . . 78 ILE CD1 . 15112 1 736 . 1 1 59 59 ILE N N 15 121.026 0.390 . 1 . . . . 78 ILE N . 15112 1 737 . 1 1 60 60 LYS H H 1 8.991 0.070 . 1 . . . . 79 LYS H . 15112 1 738 . 1 1 60 60 LYS HA H 1 4.460 0.070 . 1 . . . . 79 LYS HA . 15112 1 739 . 1 1 60 60 LYS HB2 H 1 1.716 0.070 . 2 . . . . 79 LYS HB2 . 15112 1 740 . 1 1 60 60 LYS HB3 H 1 1.458 0.070 . 2 . . . . 79 LYS HB3 . 15112 1 741 . 1 1 60 60 LYS HG2 H 1 1.316 0.070 . 2 . . . . 79 LYS HG2 . 15112 1 742 . 1 1 60 60 LYS HG3 H 1 1.173 0.070 . 2 . . . . 79 LYS HG3 . 15112 1 743 . 1 1 60 60 LYS HD2 H 1 1.304 0.070 . 2 . . . . 79 LYS HD2 . 15112 1 744 . 1 1 60 60 LYS HD3 H 1 1.168 0.070 . 2 . . . . 79 LYS HD3 . 15112 1 745 . 1 1 60 60 LYS C C 13 175.653 0.160 . 1 . . . . 79 LYS C . 15112 1 746 . 1 1 60 60 LYS CA C 13 55.237 0.110 . 1 . . . . 79 LYS CA . 15112 1 747 . 1 1 60 60 LYS CB C 13 35.162 0.170 . 1 . . . . 79 LYS CB . 15112 1 748 . 1 1 60 60 LYS CG C 13 24.330 0.170 . 1 . . . . 79 LYS CG . 15112 1 749 . 1 1 60 60 LYS CD C 13 28.929 0.170 . 1 . . . . 79 LYS CD . 15112 1 750 . 1 1 60 60 LYS CE C 13 42.430 0.170 . 1 . . . . 79 LYS CE . 15112 1 751 . 1 1 60 60 LYS N N 15 130.443 0.390 . 1 . . . . 79 LYS N . 15112 1 752 . 1 1 61 61 ASP H H 1 9.482 0.070 . 1 . . . . 80 ASP H . 15112 1 753 . 1 1 61 61 ASP HA H 1 4.207 0.070 . 1 . . . . 80 ASP HA . 15112 1 754 . 1 1 61 61 ASP HB2 H 1 2.849 0.070 . 2 . . . . 80 ASP HB2 . 15112 1 755 . 1 1 61 61 ASP HB3 H 1 2.603 0.070 . 2 . . . . 80 ASP HB3 . 15112 1 756 . 1 1 61 61 ASP C C 13 176.438 0.160 . 1 . . . . 80 ASP C . 15112 1 757 . 1 1 61 61 ASP CA C 13 55.392 0.110 . 1 . . . . 80 ASP CA . 15112 1 758 . 1 1 61 61 ASP CB C 13 39.368 0.170 . 1 . . . . 80 ASP CB . 15112 1 759 . 1 1 61 61 ASP CG C 13 181.223 0.170 . 1 . . . . 80 ASP CG . 15112 1 760 . 1 1 61 61 ASP N N 15 128.980 0.390 . 1 . . . . 80 ASP N . 15112 1 761 . 1 1 62 62 GLY H H 1 8.205 0.070 . 1 . . . . 81 GLY H . 15112 1 762 . 1 1 62 62 GLY HA2 H 1 4.097 0.070 . 2 . . . . 81 GLY HA2 . 15112 1 763 . 1 1 62 62 GLY HA3 H 1 3.477 0.070 . 2 . . . . 81 GLY HA3 . 15112 1 764 . 1 1 62 62 GLY C C 13 173.716 0.160 . 1 . . . . 81 GLY C . 15112 1 765 . 1 1 62 62 GLY CA C 13 45.371 0.110 . 1 . . . . 81 GLY CA . 15112 1 766 . 1 1 62 62 GLY N N 15 102.789 0.390 . 1 . . . . 81 GLY N . 15112 1 767 . 1 1 63 63 GLN H H 1 7.589 0.070 . 1 . . . . 82 GLN H . 15112 1 768 . 1 1 63 63 GLN HA H 1 4.680 0.070 . 1 . . . . 82 GLN HA . 15112 1 769 . 1 1 63 63 GLN HB2 H 1 2.026 0.070 . 2 . . . . 82 GLN HB2 . 15112 1 770 . 1 1 63 63 GLN HB3 H 1 1.867 0.070 . 2 . . . . 82 GLN HB3 . 15112 1 771 . 1 1 63 63 GLN HG2 H 1 2.252 0.070 . 1 . . . . 82 GLN HG2 . 15112 1 772 . 1 1 63 63 GLN HG3 H 1 2.252 0.070 . 1 . . . . 82 GLN HG3 . 15112 1 773 . 1 1 63 63 GLN HE21 H 1 7.543 0.070 . 2 . . . . 82 GLN HE21 . 15112 1 774 . 1 1 63 63 GLN HE22 H 1 6.817 0.070 . 2 . . . . 82 GLN HE22 . 15112 1 775 . 1 1 63 63 GLN C C 13 173.849 0.160 . 1 . . . . 82 GLN C . 15112 1 776 . 1 1 63 63 GLN CA C 13 53.299 0.110 . 1 . . . . 82 GLN CA . 15112 1 777 . 1 1 63 63 GLN CB C 13 31.923 0.170 . 1 . . . . 82 GLN CB . 15112 1 778 . 1 1 63 63 GLN CG C 13 32.886 0.170 . 1 . . . . 82 GLN CG . 15112 1 779 . 1 1 63 63 GLN CD C 13 180.732 0.170 . 1 . . . . 82 GLN CD . 15112 1 780 . 1 1 63 63 GLN N N 15 119.195 0.390 . 1 . . . . 82 GLN N . 15112 1 781 . 1 1 63 63 GLN NE2 N 15 113.290 0.390 . 1 . . . . 82 GLN NE2 . 15112 1 782 . 1 1 64 64 ALA H H 1 8.632 0.070 . 1 . . . . 83 ALA H . 15112 1 783 . 1 1 64 64 ALA HA H 1 4.233 0.070 . 1 . . . . 83 ALA HA . 15112 1 784 . 1 1 64 64 ALA HB1 H 1 1.290 0.070 . 1 . . . . 83 ALA HB . 15112 1 785 . 1 1 64 64 ALA HB2 H 1 1.290 0.070 . 1 . . . . 83 ALA HB . 15112 1 786 . 1 1 64 64 ALA HB3 H 1 1.290 0.070 . 1 . . . . 83 ALA HB . 15112 1 787 . 1 1 64 64 ALA C C 13 177.329 0.160 . 1 . . . . 83 ALA C . 15112 1 788 . 1 1 64 64 ALA CA C 13 52.773 0.110 . 1 . . . . 83 ALA CA . 15112 1 789 . 1 1 64 64 ALA CB C 13 18.755 0.170 . 1 . . . . 83 ALA CB . 15112 1 790 . 1 1 64 64 ALA N N 15 126.637 0.390 . 1 . . . . 83 ALA N . 15112 1 791 . 1 1 65 65 VAL H H 1 8.582 0.070 . 1 . . . . 84 VAL H . 15112 1 792 . 1 1 65 65 VAL HA H 1 4.153 0.070 . 1 . . . . 84 VAL HA . 15112 1 793 . 1 1 65 65 VAL HB H 1 1.828 0.070 . 1 . . . . 84 VAL HB . 15112 1 794 . 1 1 65 65 VAL HG11 H 1 1.008 0.070 . 2 . . . . 84 VAL HG1 . 15112 1 795 . 1 1 65 65 VAL HG12 H 1 1.008 0.070 . 2 . . . . 84 VAL HG1 . 15112 1 796 . 1 1 65 65 VAL HG13 H 1 1.008 0.070 . 2 . . . . 84 VAL HG1 . 15112 1 797 . 1 1 65 65 VAL HG21 H 1 0.983 0.070 . 2 . . . . 84 VAL HG2 . 15112 1 798 . 1 1 65 65 VAL HG22 H 1 0.983 0.070 . 2 . . . . 84 VAL HG2 . 15112 1 799 . 1 1 65 65 VAL HG23 H 1 0.983 0.070 . 2 . . . . 84 VAL HG2 . 15112 1 800 . 1 1 65 65 VAL C C 13 176.063 0.160 . 1 . . . . 84 VAL C . 15112 1 801 . 1 1 65 65 VAL CA C 13 61.779 0.110 . 1 . . . . 84 VAL CA . 15112 1 802 . 1 1 65 65 VAL CB C 13 34.245 0.170 . 1 . . . . 84 VAL CB . 15112 1 803 . 1 1 65 65 VAL CG1 C 13 22.605 0.170 . 2 . . . . 84 VAL CG1 . 15112 1 804 . 1 1 65 65 VAL CG2 C 13 22.151 0.170 . 2 . . . . 84 VAL CG2 . 15112 1 805 . 1 1 65 65 VAL N N 15 123.748 0.390 . 1 . . . . 84 VAL N . 15112 1 806 . 1 1 66 66 ALA H H 1 8.794 0.070 . 1 . . . . 85 ALA H . 15112 1 807 . 1 1 66 66 ALA HA H 1 3.644 0.070 . 1 . . . . 85 ALA HA . 15112 1 808 . 1 1 66 66 ALA HB1 H 1 0.999 0.070 . 1 . . . . 85 ALA HB . 15112 1 809 . 1 1 66 66 ALA HB2 H 1 0.999 0.070 . 1 . . . . 85 ALA HB . 15112 1 810 . 1 1 66 66 ALA HB3 H 1 0.999 0.070 . 1 . . . . 85 ALA HB . 15112 1 811 . 1 1 66 66 ALA C C 13 177.011 0.160 . 1 . . . . 85 ALA C . 15112 1 812 . 1 1 66 66 ALA CA C 13 53.804 0.110 . 1 . . . . 85 ALA CA . 15112 1 813 . 1 1 66 66 ALA CB C 13 18.463 0.170 . 1 . . . . 85 ALA CB . 15112 1 814 . 1 1 66 66 ALA N N 15 130.282 0.390 . 1 . . . . 85 ALA N . 15112 1 815 . 1 1 67 67 ALA H H 1 8.963 0.070 . 1 . . . . 86 ALA H . 15112 1 816 . 1 1 67 67 ALA HA H 1 3.638 0.070 . 1 . . . . 86 ALA HA . 15112 1 817 . 1 1 67 67 ALA HB1 H 1 1.060 0.070 . 1 . . . . 86 ALA HB . 15112 1 818 . 1 1 67 67 ALA HB2 H 1 1.060 0.070 . 1 . . . . 86 ALA HB . 15112 1 819 . 1 1 67 67 ALA HB3 H 1 1.060 0.070 . 1 . . . . 86 ALA HB . 15112 1 820 . 1 1 67 67 ALA C C 13 178.345 0.160 . 1 . . . . 86 ALA C . 15112 1 821 . 1 1 67 67 ALA CA C 13 52.429 0.110 . 1 . . . . 86 ALA CA . 15112 1 822 . 1 1 67 67 ALA CB C 13 17.944 0.170 . 1 . . . . 86 ALA CB . 15112 1 823 . 1 1 67 67 ALA N N 15 121.952 0.390 . 1 . . . . 86 ALA N . 15112 1 824 . 1 1 68 68 GLU H H 1 7.374 0.070 . 1 . . . . 87 GLU H . 15112 1 825 . 1 1 68 68 GLU HA H 1 4.233 0.070 . 1 . . . . 87 GLU HA . 15112 1 826 . 1 1 68 68 GLU HB2 H 1 1.912 0.070 . 2 . . . . 87 GLU HB2 . 15112 1 827 . 1 1 68 68 GLU HB3 H 1 1.735 0.070 . 2 . . . . 87 GLU HB3 . 15112 1 828 . 1 1 68 68 GLU HG2 H 1 2.184 0.070 . 2 . . . . 87 GLU HG2 . 15112 1 829 . 1 1 68 68 GLU HG3 H 1 1.897 0.070 . 2 . . . . 87 GLU HG3 . 15112 1 830 . 1 1 68 68 GLU C C 13 178.231 0.160 . 1 . . . . 87 GLU C . 15112 1 831 . 1 1 68 68 GLU CA C 13 56.944 0.110 . 1 . . . . 87 GLU CA . 15112 1 832 . 1 1 68 68 GLU CB C 13 29.544 0.170 . 1 . . . . 87 GLU CB . 15112 1 833 . 1 1 68 68 GLU CG C 13 34.225 0.170 . 1 . . . . 87 GLU CG . 15112 1 834 . 1 1 68 68 GLU CD C 13 180.319 0.170 . 1 . . . . 87 GLU CD . 15112 1 835 . 1 1 68 68 GLU N N 15 123.131 0.390 . 1 . . . . 87 GLU N . 15112 1 836 . 1 1 69 69 ALA H H 1 8.438 0.070 . 1 . . . . 88 ALA H . 15112 1 837 . 1 1 69 69 ALA HA H 1 3.974 0.070 . 1 . . . . 88 ALA HA . 15112 1 838 . 1 1 69 69 ALA HB1 H 1 1.126 0.070 . 1 . . . . 88 ALA HB . 15112 1 839 . 1 1 69 69 ALA HB2 H 1 1.126 0.070 . 1 . . . . 88 ALA HB . 15112 1 840 . 1 1 69 69 ALA HB3 H 1 1.126 0.070 . 1 . . . . 88 ALA HB . 15112 1 841 . 1 1 69 69 ALA C C 13 178.417 0.160 . 1 . . . . 88 ALA C . 15112 1 842 . 1 1 69 69 ALA CA C 13 53.756 0.110 . 1 . . . . 88 ALA CA . 15112 1 843 . 1 1 69 69 ALA CB C 13 18.376 0.170 . 1 . . . . 88 ALA CB . 15112 1 844 . 1 1 69 69 ALA N N 15 122.330 0.390 . 1 . . . . 88 ALA N . 15112 1 845 . 1 1 70 70 ALA H H 1 7.072 0.070 . 1 . . . . 89 ALA H . 15112 1 846 . 1 1 70 70 ALA HA H 1 4.268 0.070 . 1 . . . . 89 ALA HA . 15112 1 847 . 1 1 70 70 ALA HB1 H 1 1.517 0.070 . 1 . . . . 89 ALA HB . 15112 1 848 . 1 1 70 70 ALA HB2 H 1 1.517 0.070 . 1 . . . . 89 ALA HB . 15112 1 849 . 1 1 70 70 ALA HB3 H 1 1.517 0.070 . 1 . . . . 89 ALA HB . 15112 1 850 . 1 1 70 70 ALA C C 13 177.567 0.160 . 1 . . . . 89 ALA C . 15112 1 851 . 1 1 70 70 ALA CA C 13 53.967 0.110 . 1 . . . . 89 ALA CA . 15112 1 852 . 1 1 70 70 ALA CB C 13 20.723 0.170 . 1 . . . . 89 ALA CB . 15112 1 853 . 1 1 70 70 ALA N N 15 119.932 0.390 . 1 . . . . 89 ALA N . 15112 1 854 . 1 1 71 71 GLY H H 1 7.745 0.070 . 1 . . . . 90 GLY H . 15112 1 855 . 1 1 71 71 GLY HA2 H 1 4.038 0.070 . 2 . . . . 90 GLY HA2 . 15112 1 856 . 1 1 71 71 GLY HA3 H 1 3.948 0.070 . 2 . . . . 90 GLY HA3 . 15112 1 857 . 1 1 71 71 GLY C C 13 176.795 0.160 . 1 . . . . 90 GLY C . 15112 1 858 . 1 1 71 71 GLY CA C 13 44.762 0.110 . 1 . . . . 90 GLY CA . 15112 1 859 . 1 1 71 71 GLY N N 15 102.275 0.390 . 1 . . . . 90 GLY N . 15112 1 860 . 1 1 72 72 GLY H H 1 8.897 0.070 . 1 . . . . 91 GLY H . 15112 1 861 . 1 1 72 72 GLY HA2 H 1 4.261 0.070 . 1 . . . . 91 GLY HA2 . 15112 1 862 . 1 1 72 72 GLY HA3 H 1 4.261 0.070 . 1 . . . . 91 GLY HA3 . 15112 1 863 . 1 1 72 72 GLY C C 13 172.841 0.160 . 1 . . . . 91 GLY C . 15112 1 864 . 1 1 72 72 GLY CA C 13 43.790 0.110 . 1 . . . . 91 GLY CA . 15112 1 865 . 1 1 72 72 GLY N N 15 110.698 0.390 . 1 . . . . 91 GLY N . 15112 1 866 . 1 1 73 73 HIS H H 1 8.373 0.070 . 1 . . . . 92 HIS H . 15112 1 867 . 1 1 73 73 HIS HA H 1 3.700 0.070 . 1 . . . . 92 HIS HA . 15112 1 868 . 1 1 73 73 HIS HB2 H 1 2.018 0.070 . 2 . . . . 92 HIS HB2 . 15112 1 869 . 1 1 73 73 HIS HB3 H 1 1.259 0.070 . 2 . . . . 92 HIS HB3 . 15112 1 870 . 1 1 73 73 HIS HD2 H 1 5.820 0.070 . 1 . . . . 92 HIS HD2 . 15112 1 871 . 1 1 73 73 HIS HE1 H 1 5.973 0.070 . 1 . . . . 92 HIS HE1 . 15112 1 872 . 1 1 73 73 HIS C C 13 174.969 0.160 . 1 . . . . 92 HIS C . 15112 1 873 . 1 1 73 73 HIS CA C 13 54.568 0.110 . 1 . . . . 92 HIS CA . 15112 1 874 . 1 1 73 73 HIS CB C 13 29.939 0.170 . 1 . . . . 92 HIS CB . 15112 1 875 . 1 1 73 73 HIS CG C 13 137.013 0.170 . 1 . . . . 92 HIS CG . 15112 1 876 . 1 1 73 73 HIS CD2 C 13 116.716 0.170 . 1 . . . . 92 HIS CD2 . 15112 1 877 . 1 1 73 73 HIS CE1 C 13 136.501 0.170 . 1 . . . . 92 HIS CE1 . 15112 1 878 . 1 1 73 73 HIS N N 15 118.277 0.390 . 1 . . . . 92 HIS N . 15112 1 879 . 1 1 74 74 LEU H H 1 9.326 0.070 . 1 . . . . 93 LEU H . 15112 1 880 . 1 1 74 74 LEU HA H 1 3.743 0.070 . 1 . . . . 93 LEU HA . 15112 1 881 . 1 1 74 74 LEU HB2 H 1 1.329 0.070 . 2 . . . . 93 LEU HB2 . 15112 1 882 . 1 1 74 74 LEU HB3 H 1 1.054 0.070 . 2 . . . . 93 LEU HB3 . 15112 1 883 . 1 1 74 74 LEU HG H 1 1.338 0.070 . 1 . . . . 93 LEU HG . 15112 1 884 . 1 1 74 74 LEU HD11 H 1 0.738 0.070 . 2 . . . . 93 LEU HD1 . 15112 1 885 . 1 1 74 74 LEU HD12 H 1 0.738 0.070 . 2 . . . . 93 LEU HD1 . 15112 1 886 . 1 1 74 74 LEU HD13 H 1 0.738 0.070 . 2 . . . . 93 LEU HD1 . 15112 1 887 . 1 1 74 74 LEU HD21 H 1 0.922 0.070 . 2 . . . . 93 LEU HD2 . 15112 1 888 . 1 1 74 74 LEU HD22 H 1 0.922 0.070 . 2 . . . . 93 LEU HD2 . 15112 1 889 . 1 1 74 74 LEU HD23 H 1 0.922 0.070 . 2 . . . . 93 LEU HD2 . 15112 1 890 . 1 1 74 74 LEU C C 13 176.452 0.160 . 1 . . . . 93 LEU C . 15112 1 891 . 1 1 74 74 LEU CA C 13 56.887 0.110 . 1 . . . . 93 LEU CA . 15112 1 892 . 1 1 74 74 LEU CB C 13 41.845 0.170 . 1 . . . . 93 LEU CB . 15112 1 893 . 1 1 74 74 LEU CG C 13 27.325 0.170 . 1 . . . . 93 LEU CG . 15112 1 894 . 1 1 74 74 LEU CD1 C 13 25.238 0.170 . 2 . . . . 93 LEU CD1 . 15112 1 895 . 1 1 74 74 LEU CD2 C 13 22.795 0.170 . 2 . . . . 93 LEU CD2 . 15112 1 896 . 1 1 74 74 LEU N N 15 124.861 0.390 . 1 . . . . 93 LEU N . 15112 1 897 . 1 1 75 75 ASP H H 1 9.560 0.070 . 1 . . . . 94 ASP H . 15112 1 898 . 1 1 75 75 ASP HA H 1 5.368 0.070 . 1 . . . . 94 ASP HA . 15112 1 899 . 1 1 75 75 ASP HB2 H 1 2.855 0.070 . 2 . . . . 94 ASP HB2 . 15112 1 900 . 1 1 75 75 ASP HB3 H 1 2.377 0.070 . 2 . . . . 94 ASP HB3 . 15112 1 901 . 1 1 75 75 ASP C C 13 174.178 0.160 . 1 . . . . 94 ASP C . 15112 1 902 . 1 1 75 75 ASP CA C 13 52.327 0.110 . 1 . . . . 94 ASP CA . 15112 1 903 . 1 1 75 75 ASP CB C 13 41.565 0.170 . 1 . . . . 94 ASP CB . 15112 1 904 . 1 1 75 75 ASP CG C 13 182.679 0.170 . 1 . . . . 94 ASP CG . 15112 1 905 . 1 1 75 75 ASP N N 15 126.920 0.390 . 1 . . . . 94 ASP N . 15112 1 906 . 1 1 76 76 PRO HA H 1 4.453 0.070 . 1 . . . . 95 PRO HA . 15112 1 907 . 1 1 76 76 PRO HB2 H 1 2.374 0.070 . 2 . . . . 95 PRO HB2 . 15112 1 908 . 1 1 76 76 PRO HB3 H 1 2.040 0.070 . 2 . . . . 95 PRO HB3 . 15112 1 909 . 1 1 76 76 PRO HG2 H 1 2.059 0.070 . 2 . . . . 95 PRO HG2 . 15112 1 910 . 1 1 76 76 PRO HG3 H 1 2.033 0.070 . 2 . . . . 95 PRO HG3 . 15112 1 911 . 1 1 76 76 PRO HD2 H 1 3.903 0.070 . 2 . . . . 95 PRO HD2 . 15112 1 912 . 1 1 76 76 PRO HD3 H 1 3.498 0.070 . 2 . . . . 95 PRO HD3 . 15112 1 913 . 1 1 76 76 PRO C C 13 177.797 0.160 . 1 . . . . 95 PRO C . 15112 1 914 . 1 1 76 76 PRO CA C 13 64.786 0.110 . 1 . . . . 95 PRO CA . 15112 1 915 . 1 1 76 76 PRO CB C 13 31.456 0.170 . 1 . . . . 95 PRO CB . 15112 1 916 . 1 1 76 76 PRO CG C 13 27.219 0.170 . 1 . . . . 95 PRO CG . 15112 1 917 . 1 1 76 76 PRO CD C 13 50.477 0.170 . 1 . . . . 95 PRO CD . 15112 1 918 . 1 1 76 76 PRO N N 15 140.192 0.390 . 1 . . . . 95 PRO N . 15112 1 919 . 1 1 77 77 GLN H H 1 8.089 0.070 . 1 . . . . 96 GLN H . 15112 1 920 . 1 1 77 77 GLN HA H 1 4.360 0.070 . 1 . . . . 96 GLN HA . 15112 1 921 . 1 1 77 77 GLN HB2 H 1 2.273 0.070 . 2 . . . . 96 GLN HB2 . 15112 1 922 . 1 1 77 77 GLN HB3 H 1 1.856 0.070 . 2 . . . . 96 GLN HB3 . 15112 1 923 . 1 1 77 77 GLN HG2 H 1 2.325 0.070 . 1 . . . . 96 GLN HG2 . 15112 1 924 . 1 1 77 77 GLN HG3 H 1 2.325 0.070 . 1 . . . . 96 GLN HG3 . 15112 1 925 . 1 1 77 77 GLN HE21 H 1 7.617 0.070 . 2 . . . . 96 GLN HE21 . 15112 1 926 . 1 1 77 77 GLN HE22 H 1 7.435 0.070 . 2 . . . . 96 GLN HE22 . 15112 1 927 . 1 1 77 77 GLN C C 13 175.594 0.160 . 1 . . . . 96 GLN C . 15112 1 928 . 1 1 77 77 GLN CA C 13 55.403 0.110 . 1 . . . . 96 GLN CA . 15112 1 929 . 1 1 77 77 GLN CB C 13 28.203 0.170 . 1 . . . . 96 GLN CB . 15112 1 930 . 1 1 77 77 GLN CG C 13 34.371 0.170 . 1 . . . . 96 GLN CG . 15112 1 931 . 1 1 77 77 GLN CD C 13 180.337 0.170 . 1 . . . . 96 GLN CD . 15112 1 932 . 1 1 77 77 GLN N N 15 114.712 0.390 . 1 . . . . 96 GLN N . 15112 1 933 . 1 1 77 77 GLN NE2 N 15 113.246 0.390 . 1 . . . . 96 GLN NE2 . 15112 1 934 . 1 1 78 78 ASN H H 1 8.518 0.070 . 1 . . . . 97 ASN H . 15112 1 935 . 1 1 78 78 ASN HA H 1 4.219 0.070 . 1 . . . . 97 ASN HA . 15112 1 936 . 1 1 78 78 ASN HB2 H 1 2.978 0.070 . 2 . . . . 97 ASN HB2 . 15112 1 937 . 1 1 78 78 ASN HB3 H 1 2.612 0.070 . 2 . . . . 97 ASN HB3 . 15112 1 938 . 1 1 78 78 ASN HD21 H 1 7.542 0.070 . 2 . . . . 97 ASN HD21 . 15112 1 939 . 1 1 78 78 ASN HD22 H 1 6.741 0.070 . 2 . . . . 97 ASN HD22 . 15112 1 940 . 1 1 78 78 ASN C C 13 175.243 0.160 . 1 . . . . 97 ASN C . 15112 1 941 . 1 1 78 78 ASN CA C 13 54.291 0.110 . 1 . . . . 97 ASN CA . 15112 1 942 . 1 1 78 78 ASN CB C 13 36.597 0.170 . 1 . . . . 97 ASN CB . 15112 1 943 . 1 1 78 78 ASN CG C 13 178.105 0.170 . 1 . . . . 97 ASN CG . 15112 1 944 . 1 1 78 78 ASN N N 15 118.336 0.390 . 1 . . . . 97 ASN N . 15112 1 945 . 1 1 78 78 ASN ND2 N 15 113.826 0.390 . 1 . . . . 97 ASN ND2 . 15112 1 946 . 1 1 79 79 THR H H 1 8.711 0.070 . 1 . . . . 98 THR H . 15112 1 947 . 1 1 79 79 THR HA H 1 4.045 0.070 . 1 . . . . 98 THR HA . 15112 1 948 . 1 1 79 79 THR HB H 1 3.997 0.070 . 1 . . . . 98 THR HB . 15112 1 949 . 1 1 79 79 THR HG21 H 1 1.252 0.070 . 1 . . . . 98 THR HG2 . 15112 1 950 . 1 1 79 79 THR HG22 H 1 1.252 0.070 . 1 . . . . 98 THR HG2 . 15112 1 951 . 1 1 79 79 THR HG23 H 1 1.252 0.070 . 1 . . . . 98 THR HG2 . 15112 1 952 . 1 1 79 79 THR C C 13 178.056 0.160 . 1 . . . . 98 THR C . 15112 1 953 . 1 1 79 79 THR CA C 13 64.318 0.110 . 1 . . . . 98 THR CA . 15112 1 954 . 1 1 79 79 THR CB C 13 69.957 0.170 . 1 . . . . 98 THR CB . 15112 1 955 . 1 1 79 79 THR CG2 C 13 22.312 0.170 . 1 . . . . 98 THR CG2 . 15112 1 956 . 1 1 79 79 THR N N 15 112.229 0.390 . 1 . . . . 98 THR N . 15112 1 957 . 1 1 80 80 GLY H H 1 9.874 0.070 . 1 . . . . 99 GLY H . 15112 1 958 . 1 1 80 80 GLY HA2 H 1 3.946 0.070 . 1 . . . . 99 GLY HA2 . 15112 1 959 . 1 1 80 80 GLY HA3 H 1 3.946 0.070 . 1 . . . . 99 GLY HA3 . 15112 1 960 . 1 1 80 80 GLY C C 13 174.332 0.160 . 1 . . . . 99 GLY C . 15112 1 961 . 1 1 80 80 GLY CA C 13 46.125 0.110 . 1 . . . . 99 GLY CA . 15112 1 962 . 1 1 80 80 GLY N N 15 111.733 0.390 . 1 . . . . 99 GLY N . 15112 1 963 . 1 1 81 81 LYS H H 1 7.093 0.070 . 1 . . . . 100 LYS H . 15112 1 964 . 1 1 81 81 LYS HA H 1 4.467 0.070 . 1 . . . . 100 LYS HA . 15112 1 965 . 1 1 81 81 LYS HB2 H 1 1.523 0.070 . 2 . . . . 100 LYS HB2 . 15112 1 966 . 1 1 81 81 LYS HB3 H 1 1.226 0.070 . 2 . . . . 100 LYS HB3 . 15112 1 967 . 1 1 81 81 LYS HG2 H 1 1.204 0.070 . 2 . . . . 100 LYS HG2 . 15112 1 968 . 1 1 81 81 LYS HG3 H 1 1.174 0.070 . 2 . . . . 100 LYS HG3 . 15112 1 969 . 1 1 81 81 LYS HD2 H 1 1.548 0.070 . 2 . . . . 100 LYS HD2 . 15112 1 970 . 1 1 81 81 LYS HD3 H 1 1.459 0.070 . 2 . . . . 100 LYS HD3 . 15112 1 971 . 1 1 81 81 LYS HE2 H 1 2.756 0.070 . 1 . . . . 100 LYS HE2 . 15112 1 972 . 1 1 81 81 LYS HE3 H 1 2.756 0.070 . 1 . . . . 100 LYS HE3 . 15112 1 973 . 1 1 81 81 LYS C C 13 172.263 0.160 . 1 . . . . 100 LYS C . 15112 1 974 . 1 1 81 81 LYS CA C 13 54.322 0.110 . 1 . . . . 100 LYS CA . 15112 1 975 . 1 1 81 81 LYS CB C 13 36.161 0.170 . 1 . . . . 100 LYS CB . 15112 1 976 . 1 1 81 81 LYS CG C 13 23.884 0.170 . 1 . . . . 100 LYS CG . 15112 1 977 . 1 1 81 81 LYS CD C 13 28.956 0.170 . 1 . . . . 100 LYS CD . 15112 1 978 . 1 1 81 81 LYS CE C 13 41.957 0.170 . 1 . . . . 100 LYS CE . 15112 1 979 . 1 1 81 81 LYS N N 15 117.088 0.390 . 1 . . . . 100 LYS N . 15112 1 980 . 1 1 82 82 HIS H H 1 9.347 0.070 . 1 . . . . 101 HIS H . 15112 1 981 . 1 1 82 82 HIS HA H 1 4.207 0.070 . 1 . . . . 101 HIS HA . 15112 1 982 . 1 1 82 82 HIS HB2 H 1 3.303 0.070 . 2 . . . . 101 HIS HB2 . 15112 1 983 . 1 1 82 82 HIS HB3 H 1 2.302 0.070 . 2 . . . . 101 HIS HB3 . 15112 1 984 . 1 1 82 82 HIS HD2 H 1 6.724 0.070 . 1 . . . . 101 HIS HD2 . 15112 1 985 . 1 1 82 82 HIS HE1 H 1 7.590 0.070 . 1 . . . . 101 HIS HE1 . 15112 1 986 . 1 1 82 82 HIS HE2 H 1 16.191 0.070 . 1 . . . . 101 HIS HE2 . 15112 1 987 . 1 1 82 82 HIS C C 13 172.769 0.160 . 1 . . . . 101 HIS C . 15112 1 988 . 1 1 82 82 HIS CA C 13 55.322 0.110 . 1 . . . . 101 HIS CA . 15112 1 989 . 1 1 82 82 HIS CB C 13 31.700 0.170 . 1 . . . . 101 HIS CB . 15112 1 990 . 1 1 82 82 HIS CG C 13 135.240 0.170 . 1 . . . . 101 HIS CG . 15112 1 991 . 1 1 82 82 HIS CD2 C 13 119.467 0.170 . 1 . . . . 101 HIS CD2 . 15112 1 992 . 1 1 82 82 HIS CE1 C 13 139.768 0.170 . 1 . . . . 101 HIS CE1 . 15112 1 993 . 1 1 82 82 HIS N N 15 125.833 0.390 . 1 . . . . 101 HIS N . 15112 1 994 . 1 1 82 82 HIS NE2 N 15 182.423 0.390 . 1 . . . . 101 HIS NE2 . 15112 1 995 . 1 1 83 83 GLU H H 1 6.443 0.070 . 1 . . . . 102 GLU H . 15112 1 996 . 1 1 83 83 GLU HA H 1 4.749 0.070 . 1 . . . . 102 GLU HA . 15112 1 997 . 1 1 83 83 GLU HB2 H 1 1.511 0.070 . 1 . . . . 102 GLU HB2 . 15112 1 998 . 1 1 83 83 GLU HB3 H 1 1.511 0.070 . 1 . . . . 102 GLU HB3 . 15112 1 999 . 1 1 83 83 GLU HG2 H 1 2.187 0.070 . 2 . . . . 102 GLU HG2 . 15112 1 1000 . 1 1 83 83 GLU HG3 H 1 1.679 0.070 . 2 . . . . 102 GLU HG3 . 15112 1 1001 . 1 1 83 83 GLU C C 13 177.044 0.160 . 1 . . . . 102 GLU C . 15112 1 1002 . 1 1 83 83 GLU CA C 13 54.262 0.110 . 1 . . . . 102 GLU CA . 15112 1 1003 . 1 1 83 83 GLU CB C 13 33.396 0.170 . 1 . . . . 102 GLU CB . 15112 1 1004 . 1 1 83 83 GLU CG C 13 35.979 0.170 . 1 . . . . 102 GLU CG . 15112 1 1005 . 1 1 83 83 GLU CD C 13 182.406 0.170 . 1 . . . . 102 GLU CD . 15112 1 1006 . 1 1 83 83 GLU N N 15 122.261 0.390 . 1 . . . . 102 GLU N . 15112 1 1007 . 1 1 84 84 GLY H H 1 7.534 0.070 . 1 . . . . 103 GLY H . 15112 1 1008 . 1 1 84 84 GLY HA2 H 1 4.622 0.070 . 2 . . . . 103 GLY HA2 . 15112 1 1009 . 1 1 84 84 GLY HA3 H 1 3.963 0.070 . 2 . . . . 103 GLY HA3 . 15112 1 1010 . 1 1 84 84 GLY C C 13 174.340 0.160 . 1 . . . . 103 GLY C . 15112 1 1011 . 1 1 84 84 GLY CA C 13 47.788 0.110 . 1 . . . . 103 GLY CA . 15112 1 1012 . 1 1 84 84 GLY N N 15 106.082 0.390 . 1 . . . . 103 GLY N . 15112 1 1013 . 1 1 85 85 PRO HA H 1 4.420 0.070 . 1 . . . . 104 PRO HA . 15112 1 1014 . 1 1 85 85 PRO HB2 H 1 2.349 0.070 . 2 . . . . 104 PRO HB2 . 15112 1 1015 . 1 1 85 85 PRO HB3 H 1 2.194 0.070 . 2 . . . . 104 PRO HB3 . 15112 1 1016 . 1 1 85 85 PRO HG2 H 1 2.054 0.070 . 1 . . . . 104 PRO HG2 . 15112 1 1017 . 1 1 85 85 PRO HG3 H 1 2.054 0.070 . 1 . . . . 104 PRO HG3 . 15112 1 1018 . 1 1 85 85 PRO HD2 H 1 2.938 0.070 . 1 . . . . 104 PRO HD2 . 15112 1 1019 . 1 1 85 85 PRO HD3 H 1 2.938 0.070 . 1 . . . . 104 PRO HD3 . 15112 1 1020 . 1 1 85 85 PRO C C 13 177.599 0.160 . 1 . . . . 104 PRO C . 15112 1 1021 . 1 1 85 85 PRO CA C 13 64.310 0.110 . 1 . . . . 104 PRO CA . 15112 1 1022 . 1 1 85 85 PRO CB C 13 32.448 0.170 . 1 . . . . 104 PRO CB . 15112 1 1023 . 1 1 85 85 PRO CG C 13 27.574 0.170 . 1 . . . . 104 PRO CG . 15112 1 1024 . 1 1 85 85 PRO CD C 13 50.546 0.170 . 1 . . . . 104 PRO CD . 15112 1 1025 . 1 1 85 85 PRO N N 15 134.053 0.390 . 1 . . . . 104 PRO N . 15112 1 1026 . 1 1 86 86 GLU H H 1 8.775 0.070 . 1 . . . . 105 GLU H . 15112 1 1027 . 1 1 86 86 GLU HA H 1 4.643 0.070 . 1 . . . . 105 GLU HA . 15112 1 1028 . 1 1 86 86 GLU HB2 H 1 2.337 0.070 . 2 . . . . 105 GLU HB2 . 15112 1 1029 . 1 1 86 86 GLU HB3 H 1 1.758 0.070 . 2 . . . . 105 GLU HB3 . 15112 1 1030 . 1 1 86 86 GLU HG2 H 1 2.133 0.070 . 1 . . . . 105 GLU HG2 . 15112 1 1031 . 1 1 86 86 GLU HG3 H 1 2.133 0.070 . 1 . . . . 105 GLU HG3 . 15112 1 1032 . 1 1 86 86 GLU C C 13 176.352 0.160 . 1 . . . . 105 GLU C . 15112 1 1033 . 1 1 86 86 GLU CA C 13 55.153 0.110 . 1 . . . . 105 GLU CA . 15112 1 1034 . 1 1 86 86 GLU CB C 13 29.708 0.170 . 1 . . . . 105 GLU CB . 15112 1 1035 . 1 1 86 86 GLU CG C 13 36.529 0.170 . 1 . . . . 105 GLU CG . 15112 1 1036 . 1 1 86 86 GLU CD C 13 182.857 0.170 . 1 . . . . 105 GLU CD . 15112 1 1037 . 1 1 86 86 GLU N N 15 119.191 0.390 . 1 . . . . 105 GLU N . 15112 1 1038 . 1 1 87 87 GLY H H 1 6.867 0.070 . 1 . . . . 106 GLY H . 15112 1 1039 . 1 1 87 87 GLY HA2 H 1 4.460 0.070 . 2 . . . . 106 GLY HA2 . 15112 1 1040 . 1 1 87 87 GLY HA3 H 1 3.442 0.070 . 2 . . . . 106 GLY HA3 . 15112 1 1041 . 1 1 87 87 GLY C C 13 172.194 0.160 . 1 . . . . 106 GLY C . 15112 1 1042 . 1 1 87 87 GLY CA C 13 43.603 0.110 . 1 . . . . 106 GLY CA . 15112 1 1043 . 1 1 87 87 GLY N N 15 108.174 0.390 . 1 . . . . 106 GLY N . 15112 1 1044 . 1 1 88 88 GLN H H 1 8.548 0.070 . 1 . . . . 107 GLN H . 15112 1 1045 . 1 1 88 88 GLN HA H 1 4.571 0.070 . 1 . . . . 107 GLN HA . 15112 1 1046 . 1 1 88 88 GLN HB2 H 1 2.295 0.070 . 2 . . . . 107 GLN HB2 . 15112 1 1047 . 1 1 88 88 GLN HB3 H 1 1.670 0.070 . 2 . . . . 107 GLN HB3 . 15112 1 1048 . 1 1 88 88 GLN HG2 H 1 2.261 0.070 . 2 . . . . 107 GLN HG2 . 15112 1 1049 . 1 1 88 88 GLN HG3 H 1 2.179 0.070 . 2 . . . . 107 GLN HG3 . 15112 1 1050 . 1 1 88 88 GLN HE21 H 1 7.540 0.070 . 2 . . . . 107 GLN HE21 . 15112 1 1051 . 1 1 88 88 GLN HE22 H 1 6.717 0.070 . 2 . . . . 107 GLN HE22 . 15112 1 1052 . 1 1 88 88 GLN C C 13 176.338 0.160 . 1 . . . . 107 GLN C . 15112 1 1053 . 1 1 88 88 GLN CA C 13 53.889 0.110 . 1 . . . . 107 GLN CA . 15112 1 1054 . 1 1 88 88 GLN CB C 13 28.688 0.170 . 1 . . . . 107 GLN CB . 15112 1 1055 . 1 1 88 88 GLN CG C 13 33.476 0.170 . 1 . . . . 107 GLN CG . 15112 1 1056 . 1 1 88 88 GLN CD C 13 181.173 0.170 . 1 . . . . 107 GLN CD . 15112 1 1057 . 1 1 88 88 GLN N N 15 117.764 0.390 . 1 . . . . 107 GLN N . 15112 1 1058 . 1 1 88 88 GLN NE2 N 15 113.552 0.390 . 1 . . . . 107 GLN NE2 . 15112 1 1059 . 1 1 89 89 GLY H H 1 7.057 0.070 . 1 . . . . 108 GLY H . 15112 1 1060 . 1 1 89 89 GLY HA2 H 1 4.396 0.070 . 2 . . . . 108 GLY HA2 . 15112 1 1061 . 1 1 89 89 GLY HA3 H 1 3.303 0.070 . 2 . . . . 108 GLY HA3 . 15112 1 1062 . 1 1 89 89 GLY C C 13 175.948 0.160 . 1 . . . . 108 GLY C . 15112 1 1063 . 1 1 89 89 GLY CA C 13 44.176 0.110 . 1 . . . . 108 GLY CA . 15112 1 1064 . 1 1 89 89 GLY N N 15 110.861 0.390 . 1 . . . . 108 GLY N . 15112 1 1065 . 1 1 90 90 HIS H H 1 8.352 0.070 . 1 . . . . 109 HIS H . 15112 1 1066 . 1 1 90 90 HIS HA H 1 4.358 0.070 . 1 . . . . 109 HIS HA . 15112 1 1067 . 1 1 90 90 HIS HB2 H 1 3.462 0.070 . 2 . . . . 109 HIS HB2 . 15112 1 1068 . 1 1 90 90 HIS HB3 H 1 3.046 0.070 . 2 . . . . 109 HIS HB3 . 15112 1 1069 . 1 1 90 90 HIS HD2 H 1 6.822 0.070 . 1 . . . . 109 HIS HD2 . 15112 1 1070 . 1 1 90 90 HIS HE1 H 1 7.850 0.070 . 1 . . . . 109 HIS HE1 . 15112 1 1071 . 1 1 90 90 HIS HE2 H 1 10.561 0.070 . 1 . . . . 109 HIS HE2 . 15112 1 1072 . 1 1 90 90 HIS C C 13 176.962 0.160 . 1 . . . . 109 HIS C . 15112 1 1073 . 1 1 90 90 HIS CA C 13 55.892 0.110 . 1 . . . . 109 HIS CA . 15112 1 1074 . 1 1 90 90 HIS CB C 13 30.495 0.170 . 1 . . . . 109 HIS CB . 15112 1 1075 . 1 1 90 90 HIS CG C 13 136.636 0.170 . 1 . . . . 109 HIS CG . 15112 1 1076 . 1 1 90 90 HIS CD2 C 13 117.124 0.170 . 1 . . . . 109 HIS CD2 . 15112 1 1077 . 1 1 90 90 HIS CE1 C 13 138.466 0.170 . 1 . . . . 109 HIS CE1 . 15112 1 1078 . 1 1 90 90 HIS N N 15 122.352 0.390 . 1 . . . . 109 HIS N . 15112 1 1079 . 1 1 90 90 HIS NE2 N 15 164.409 0.390 . 1 . . . . 109 HIS NE2 . 15112 1 1080 . 1 1 91 91 LEU H H 1 7.653 0.070 . 1 . . . . 110 LEU H . 15112 1 1081 . 1 1 91 91 LEU HA H 1 4.097 0.070 . 1 . . . . 110 LEU HA . 15112 1 1082 . 1 1 91 91 LEU HB2 H 1 1.621 0.070 . 2 . . . . 110 LEU HB2 . 15112 1 1083 . 1 1 91 91 LEU HB3 H 1 1.354 0.070 . 2 . . . . 110 LEU HB3 . 15112 1 1084 . 1 1 91 91 LEU HG H 1 1.626 0.070 . 1 . . . . 110 LEU HG . 15112 1 1085 . 1 1 91 91 LEU HD11 H 1 0.856 0.070 . 2 . . . . 110 LEU HD1 . 15112 1 1086 . 1 1 91 91 LEU HD12 H 1 0.856 0.070 . 2 . . . . 110 LEU HD1 . 15112 1 1087 . 1 1 91 91 LEU HD13 H 1 0.856 0.070 . 2 . . . . 110 LEU HD1 . 15112 1 1088 . 1 1 91 91 LEU HD21 H 1 0.844 0.070 . 2 . . . . 110 LEU HD2 . 15112 1 1089 . 1 1 91 91 LEU HD22 H 1 0.844 0.070 . 2 . . . . 110 LEU HD2 . 15112 1 1090 . 1 1 91 91 LEU HD23 H 1 0.844 0.070 . 2 . . . . 110 LEU HD2 . 15112 1 1091 . 1 1 91 91 LEU C C 13 177.205 0.160 . 1 . . . . 110 LEU C . 15112 1 1092 . 1 1 91 91 LEU CA C 13 56.868 0.110 . 1 . . . . 110 LEU CA . 15112 1 1093 . 1 1 91 91 LEU CB C 13 43.671 0.170 . 1 . . . . 110 LEU CB . 15112 1 1094 . 1 1 91 91 LEU CG C 13 26.511 0.170 . 1 . . . . 110 LEU CG . 15112 1 1095 . 1 1 91 91 LEU CD1 C 13 25.454 0.170 . 2 . . . . 110 LEU CD1 . 15112 1 1096 . 1 1 91 91 LEU CD2 C 13 23.069 0.170 . 2 . . . . 110 LEU CD2 . 15112 1 1097 . 1 1 91 91 LEU N N 15 129.811 0.390 . 1 . . . . 110 LEU N . 15112 1 1098 . 1 1 92 92 GLY H H 1 8.482 0.070 . 1 . . . . 111 GLY H . 15112 1 1099 . 1 1 92 92 GLY HA2 H 1 3.999 0.070 . 2 . . . . 111 GLY HA2 . 15112 1 1100 . 1 1 92 92 GLY HA3 H 1 3.885 0.070 . 2 . . . . 111 GLY HA3 . 15112 1 1101 . 1 1 92 92 GLY C C 13 172.240 0.160 . 1 . . . . 111 GLY C . 15112 1 1102 . 1 1 92 92 GLY CA C 13 45.640 0.110 . 1 . . . . 111 GLY CA . 15112 1 1103 . 1 1 92 92 GLY N N 15 99.954 0.390 . 1 . . . . 111 GLY N . 15112 1 1104 . 1 1 93 93 ASP H H 1 6.761 0.070 . 1 . . . . 112 ASP H . 15112 1 1105 . 1 1 93 93 ASP HA H 1 4.505 0.070 . 1 . . . . 112 ASP HA . 15112 1 1106 . 1 1 93 93 ASP HB2 H 1 3.241 0.070 . 2 . . . . 112 ASP HB2 . 15112 1 1107 . 1 1 93 93 ASP HB3 H 1 2.195 0.070 . 2 . . . . 112 ASP HB3 . 15112 1 1108 . 1 1 93 93 ASP C C 13 173.919 0.160 . 1 . . . . 112 ASP C . 15112 1 1109 . 1 1 93 93 ASP CA C 13 56.061 0.110 . 1 . . . . 112 ASP CA . 15112 1 1110 . 1 1 93 93 ASP CB C 13 39.307 0.170 . 1 . . . . 112 ASP CB . 15112 1 1111 . 1 1 93 93 ASP CG C 13 180.486 0.170 . 1 . . . . 112 ASP CG . 15112 1 1112 . 1 1 93 93 ASP N N 15 121.441 0.390 . 1 . . . . 112 ASP N . 15112 1 1113 . 1 1 94 94 LEU H H 1 7.193 0.070 . 1 . . . . 113 LEU H . 15112 1 1114 . 1 1 94 94 LEU HA H 1 4.874 0.070 . 1 . . . . 113 LEU HA . 15112 1 1115 . 1 1 94 94 LEU HB2 H 1 1.865 0.070 . 2 . . . . 113 LEU HB2 . 15112 1 1116 . 1 1 94 94 LEU HB3 H 1 0.731 0.070 . 2 . . . . 113 LEU HB3 . 15112 1 1117 . 1 1 94 94 LEU HG H 1 1.365 0.070 . 1 . . . . 113 LEU HG . 15112 1 1118 . 1 1 94 94 LEU HD11 H 1 0.156 0.070 . 2 . . . . 113 LEU HD1 . 15112 1 1119 . 1 1 94 94 LEU HD12 H 1 0.156 0.070 . 2 . . . . 113 LEU HD1 . 15112 1 1120 . 1 1 94 94 LEU HD13 H 1 0.156 0.070 . 2 . . . . 113 LEU HD1 . 15112 1 1121 . 1 1 94 94 LEU HD21 H 1 -1.116 0.070 . 2 . . . . 113 LEU HD2 . 15112 1 1122 . 1 1 94 94 LEU HD22 H 1 -1.116 0.070 . 2 . . . . 113 LEU HD2 . 15112 1 1123 . 1 1 94 94 LEU HD23 H 1 -1.116 0.070 . 2 . . . . 113 LEU HD2 . 15112 1 1124 . 1 1 94 94 LEU C C 13 174.865 0.160 . 1 . . . . 113 LEU C . 15112 1 1125 . 1 1 94 94 LEU CA C 13 52.497 0.110 . 1 . . . . 113 LEU CA . 15112 1 1126 . 1 1 94 94 LEU CB C 13 38.660 0.170 . 1 . . . . 113 LEU CB . 15112 1 1127 . 1 1 94 94 LEU CG C 13 26.060 0.170 . 1 . . . . 113 LEU CG . 15112 1 1128 . 1 1 94 94 LEU CD1 C 13 23.595 0.170 . 2 . . . . 113 LEU CD1 . 15112 1 1129 . 1 1 94 94 LEU CD2 C 13 23.236 0.170 . 2 . . . . 113 LEU CD2 . 15112 1 1130 . 1 1 94 94 LEU N N 15 125.528 0.390 . 1 . . . . 113 LEU N . 15112 1 1131 . 1 1 95 95 PRO HA H 1 4.421 0.070 . 1 . . . . 114 PRO HA . 15112 1 1132 . 1 1 95 95 PRO HB2 H 1 2.582 0.070 . 2 . . . . 114 PRO HB2 . 15112 1 1133 . 1 1 95 95 PRO HB3 H 1 1.692 0.070 . 2 . . . . 114 PRO HB3 . 15112 1 1134 . 1 1 95 95 PRO HG2 H 1 2.406 0.070 . 2 . . . . 114 PRO HG2 . 15112 1 1135 . 1 1 95 95 PRO HG3 H 1 2.081 0.070 . 2 . . . . 114 PRO HG3 . 15112 1 1136 . 1 1 95 95 PRO HD2 H 1 3.468 0.070 . 2 . . . . 114 PRO HD2 . 15112 1 1137 . 1 1 95 95 PRO HD3 H 1 3.166 0.070 . 2 . . . . 114 PRO HD3 . 15112 1 1138 . 1 1 95 95 PRO C C 13 172.648 0.160 . 1 . . . . 114 PRO C . 15112 1 1139 . 1 1 95 95 PRO CA C 13 62.579 0.110 . 1 . . . . 114 PRO CA . 15112 1 1140 . 1 1 95 95 PRO CB C 13 31.204 0.170 . 1 . . . . 114 PRO CB . 15112 1 1141 . 1 1 95 95 PRO CG C 13 29.410 0.170 . 1 . . . . 114 PRO CG . 15112 1 1142 . 1 1 95 95 PRO CD C 13 50.338 0.170 . 1 . . . . 114 PRO CD . 15112 1 1143 . 1 1 95 95 PRO N N 15 134.011 0.390 . 1 . . . . 114 PRO N . 15112 1 1144 . 1 1 96 96 VAL H H 1 7.250 0.070 . 1 . . . . 115 VAL H . 15112 1 1145 . 1 1 96 96 VAL HA H 1 4.256 0.070 . 1 . . . . 115 VAL HA . 15112 1 1146 . 1 1 96 96 VAL HB H 1 1.799 0.070 . 1 . . . . 115 VAL HB . 15112 1 1147 . 1 1 96 96 VAL HG11 H 1 0.993 0.070 . 2 . . . . 115 VAL HG1 . 15112 1 1148 . 1 1 96 96 VAL HG12 H 1 0.993 0.070 . 2 . . . . 115 VAL HG1 . 15112 1 1149 . 1 1 96 96 VAL HG13 H 1 0.993 0.070 . 2 . . . . 115 VAL HG1 . 15112 1 1150 . 1 1 96 96 VAL HG21 H 1 0.793 0.070 . 2 . . . . 115 VAL HG2 . 15112 1 1151 . 1 1 96 96 VAL HG22 H 1 0.793 0.070 . 2 . . . . 115 VAL HG2 . 15112 1 1152 . 1 1 96 96 VAL HG23 H 1 0.793 0.070 . 2 . . . . 115 VAL HG2 . 15112 1 1153 . 1 1 96 96 VAL C C 13 175.756 0.160 . 1 . . . . 115 VAL C . 15112 1 1154 . 1 1 96 96 VAL CA C 13 61.592 0.110 . 1 . . . . 115 VAL CA . 15112 1 1155 . 1 1 96 96 VAL CB C 13 32.692 0.170 . 1 . . . . 115 VAL CB . 15112 1 1156 . 1 1 96 96 VAL CG1 C 13 22.590 0.170 . 2 . . . . 115 VAL CG1 . 15112 1 1157 . 1 1 96 96 VAL CG2 C 13 19.555 0.170 . 2 . . . . 115 VAL CG2 . 15112 1 1158 . 1 1 96 96 VAL N N 15 110.851 0.390 . 1 . . . . 115 VAL N . 15112 1 1159 . 1 1 97 97 LEU H H 1 8.155 0.070 . 1 . . . . 116 LEU H . 15112 1 1160 . 1 1 97 97 LEU HA H 1 4.256 0.070 . 1 . . . . 116 LEU HA . 15112 1 1161 . 1 1 97 97 LEU HB2 H 1 1.270 0.070 . 2 . . . . 116 LEU HB2 . 15112 1 1162 . 1 1 97 97 LEU HB3 H 1 0.461 0.070 . 2 . . . . 116 LEU HB3 . 15112 1 1163 . 1 1 97 97 LEU HG H 1 0.870 0.070 . 1 . . . . 116 LEU HG . 15112 1 1164 . 1 1 97 97 LEU HD11 H 1 0.080 0.070 . 2 . . . . 116 LEU HD1 . 15112 1 1165 . 1 1 97 97 LEU HD12 H 1 0.080 0.070 . 2 . . . . 116 LEU HD1 . 15112 1 1166 . 1 1 97 97 LEU HD13 H 1 0.080 0.070 . 2 . . . . 116 LEU HD1 . 15112 1 1167 . 1 1 97 97 LEU HD21 H 1 0.091 0.070 . 2 . . . . 116 LEU HD2 . 15112 1 1168 . 1 1 97 97 LEU HD22 H 1 0.091 0.070 . 2 . . . . 116 LEU HD2 . 15112 1 1169 . 1 1 97 97 LEU HD23 H 1 0.091 0.070 . 2 . . . . 116 LEU HD2 . 15112 1 1170 . 1 1 97 97 LEU C C 13 176.588 0.160 . 1 . . . . 116 LEU C . 15112 1 1171 . 1 1 97 97 LEU CA C 13 53.142 0.110 . 1 . . . . 116 LEU CA . 15112 1 1172 . 1 1 97 97 LEU CB C 13 43.221 0.170 . 1 . . . . 116 LEU CB . 15112 1 1173 . 1 1 97 97 LEU CG C 13 26.212 0.170 . 1 . . . . 116 LEU CG . 15112 1 1174 . 1 1 97 97 LEU CD1 C 13 26.199 0.170 . 2 . . . . 116 LEU CD1 . 15112 1 1175 . 1 1 97 97 LEU CD2 C 13 23.260 0.170 . 2 . . . . 116 LEU CD2 . 15112 1 1176 . 1 1 97 97 LEU N N 15 122.670 0.390 . 1 . . . . 116 LEU N . 15112 1 1177 . 1 1 98 98 VAL H H 1 8.300 0.070 . 1 . . . . 117 VAL H . 15112 1 1178 . 1 1 98 98 VAL HA H 1 4.055 0.070 . 1 . . . . 117 VAL HA . 15112 1 1179 . 1 1 98 98 VAL HB H 1 1.869 0.070 . 1 . . . . 117 VAL HB . 15112 1 1180 . 1 1 98 98 VAL HG11 H 1 0.855 0.070 . 2 . . . . 117 VAL HG1 . 15112 1 1181 . 1 1 98 98 VAL HG12 H 1 0.855 0.070 . 2 . . . . 117 VAL HG1 . 15112 1 1182 . 1 1 98 98 VAL HG13 H 1 0.855 0.070 . 2 . . . . 117 VAL HG1 . 15112 1 1183 . 1 1 98 98 VAL HG21 H 1 0.734 0.070 . 2 . . . . 117 VAL HG2 . 15112 1 1184 . 1 1 98 98 VAL HG22 H 1 0.734 0.070 . 2 . . . . 117 VAL HG2 . 15112 1 1185 . 1 1 98 98 VAL HG23 H 1 0.734 0.070 . 2 . . . . 117 VAL HG2 . 15112 1 1186 . 1 1 98 98 VAL C C 13 175.164 0.160 . 1 . . . . 117 VAL C . 15112 1 1187 . 1 1 98 98 VAL CA C 13 62.973 0.110 . 1 . . . . 117 VAL CA . 15112 1 1188 . 1 1 98 98 VAL CB C 13 32.121 0.170 . 1 . . . . 117 VAL CB . 15112 1 1189 . 1 1 98 98 VAL CG1 C 13 21.884 0.170 . 2 . . . . 117 VAL CG1 . 15112 1 1190 . 1 1 98 98 VAL CG2 C 13 21.034 0.170 . 2 . . . . 117 VAL CG2 . 15112 1 1191 . 1 1 98 98 VAL N N 15 128.316 0.390 . 1 . . . . 117 VAL N . 15112 1 1192 . 1 1 99 99 VAL H H 1 8.647 0.070 . 1 . . . . 118 VAL H . 15112 1 1193 . 1 1 99 99 VAL HA H 1 4.090 0.070 . 1 . . . . 118 VAL HA . 15112 1 1194 . 1 1 99 99 VAL HB H 1 2.317 0.070 . 1 . . . . 118 VAL HB . 15112 1 1195 . 1 1 99 99 VAL HG11 H 1 0.585 0.070 . 2 . . . . 118 VAL HG1 . 15112 1 1196 . 1 1 99 99 VAL HG12 H 1 0.585 0.070 . 2 . . . . 118 VAL HG1 . 15112 1 1197 . 1 1 99 99 VAL HG13 H 1 0.585 0.070 . 2 . . . . 118 VAL HG1 . 15112 1 1198 . 1 1 99 99 VAL HG21 H 1 0.696 0.070 . 2 . . . . 118 VAL HG2 . 15112 1 1199 . 1 1 99 99 VAL HG22 H 1 0.696 0.070 . 2 . . . . 118 VAL HG2 . 15112 1 1200 . 1 1 99 99 VAL HG23 H 1 0.696 0.070 . 2 . . . . 118 VAL HG2 . 15112 1 1201 . 1 1 99 99 VAL C C 13 177.049 0.160 . 1 . . . . 118 VAL C . 15112 1 1202 . 1 1 99 99 VAL CA C 13 60.712 0.110 . 1 . . . . 118 VAL CA . 15112 1 1203 . 1 1 99 99 VAL CB C 13 32.295 0.170 . 1 . . . . 118 VAL CB . 15112 1 1204 . 1 1 99 99 VAL CG1 C 13 23.315 0.170 . 2 . . . . 118 VAL CG1 . 15112 1 1205 . 1 1 99 99 VAL CG2 C 13 21.523 0.170 . 2 . . . . 118 VAL CG2 . 15112 1 1206 . 1 1 99 99 VAL N N 15 130.289 0.390 . 1 . . . . 118 VAL N . 15112 1 1207 . 1 1 100 100 ASN H H 1 8.604 0.070 . 1 . . . . 119 ASN H . 15112 1 1208 . 1 1 100 100 ASN HA H 1 4.598 0.070 . 1 . . . . 119 ASN HA . 15112 1 1209 . 1 1 100 100 ASN HB2 H 1 3.548 0.070 . 2 . . . . 119 ASN HB2 . 15112 1 1210 . 1 1 100 100 ASN HB3 H 1 2.999 0.070 . 2 . . . . 119 ASN HB3 . 15112 1 1211 . 1 1 100 100 ASN HD21 H 1 7.681 0.070 . 2 . . . . 119 ASN HD21 . 15112 1 1212 . 1 1 100 100 ASN HD22 H 1 6.840 0.070 . 2 . . . . 119 ASN HD22 . 15112 1 1213 . 1 1 100 100 ASN C C 13 176.265 0.160 . 1 . . . . 119 ASN C . 15112 1 1214 . 1 1 100 100 ASN CA C 13 52.267 0.110 . 1 . . . . 119 ASN CA . 15112 1 1215 . 1 1 100 100 ASN CB C 13 38.227 0.170 . 1 . . . . 119 ASN CB . 15112 1 1216 . 1 1 100 100 ASN CG C 13 176.983 0.170 . 1 . . . . 119 ASN CG . 15112 1 1217 . 1 1 100 100 ASN N N 15 128.974 0.390 . 1 . . . . 119 ASN N . 15112 1 1218 . 1 1 100 100 ASN ND2 N 15 112.646 0.390 . 1 . . . . 119 ASN ND2 . 15112 1 1219 . 1 1 101 101 ASN H H 1 8.474 0.070 . 1 . . . . 120 ASN H . 15112 1 1220 . 1 1 101 101 ASN HA H 1 4.364 0.070 . 1 . . . . 120 ASN HA . 15112 1 1221 . 1 1 101 101 ASN HB2 H 1 2.792 0.070 . 2 . . . . 120 ASN HB2 . 15112 1 1222 . 1 1 101 101 ASN HB3 H 1 2.743 0.070 . 2 . . . . 120 ASN HB3 . 15112 1 1223 . 1 1 101 101 ASN HD21 H 1 7.615 0.070 . 2 . . . . 120 ASN HD21 . 15112 1 1224 . 1 1 101 101 ASN HD22 H 1 6.925 0.070 . 2 . . . . 120 ASN HD22 . 15112 1 1225 . 1 1 101 101 ASN C C 13 175.938 0.160 . 1 . . . . 120 ASN C . 15112 1 1226 . 1 1 101 101 ASN CA C 13 55.699 0.110 . 1 . . . . 120 ASN CA . 15112 1 1227 . 1 1 101 101 ASN CB C 13 37.864 0.170 . 1 . . . . 120 ASN CB . 15112 1 1228 . 1 1 101 101 ASN CG C 13 176.810 0.170 . 1 . . . . 120 ASN CG . 15112 1 1229 . 1 1 101 101 ASN N N 15 115.417 0.390 . 1 . . . . 120 ASN N . 15112 1 1230 . 1 1 101 101 ASN ND2 N 15 113.629 0.390 . 1 . . . . 120 ASN ND2 . 15112 1 1231 . 1 1 102 102 ASP H H 1 7.932 0.070 . 1 . . . . 121 ASP H . 15112 1 1232 . 1 1 102 102 ASP HA H 1 4.722 0.070 . 1 . . . . 121 ASP HA . 15112 1 1233 . 1 1 102 102 ASP HB2 H 1 2.832 0.070 . 2 . . . . 121 ASP HB2 . 15112 1 1234 . 1 1 102 102 ASP HB3 H 1 2.674 0.070 . 2 . . . . 121 ASP HB3 . 15112 1 1235 . 1 1 102 102 ASP C C 13 176.499 0.160 . 1 . . . . 121 ASP C . 15112 1 1236 . 1 1 102 102 ASP CA C 13 54.054 0.110 . 1 . . . . 121 ASP CA . 15112 1 1237 . 1 1 102 102 ASP CB C 13 41.176 0.170 . 1 . . . . 121 ASP CB . 15112 1 1238 . 1 1 102 102 ASP CG C 13 180.410 0.170 . 1 . . . . 121 ASP CG . 15112 1 1239 . 1 1 102 102 ASP N N 15 118.985 0.390 . 1 . . . . 121 ASP N . 15112 1 1240 . 1 1 103 103 GLY H H 1 8.324 0.070 . 1 . . . . 122 GLY H . 15112 1 1241 . 1 1 103 103 GLY HA2 H 1 4.048 0.070 . 2 . . . . 122 GLY HA2 . 15112 1 1242 . 1 1 103 103 GLY HA3 H 1 3.871 0.070 . 2 . . . . 122 GLY HA3 . 15112 1 1243 . 1 1 103 103 GLY C C 13 172.649 0.160 . 1 . . . . 122 GLY C . 15112 1 1244 . 1 1 103 103 GLY CA C 13 46.322 0.110 . 1 . . . . 122 GLY CA . 15112 1 1245 . 1 1 103 103 GLY N N 15 110.444 0.390 . 1 . . . . 122 GLY N . 15112 1 1246 . 1 1 104 104 ILE H H 1 7.150 0.070 . 1 . . . . 123 ILE H . 15112 1 1247 . 1 1 104 104 ILE HA H 1 4.644 0.070 . 1 . . . . 123 ILE HA . 15112 1 1248 . 1 1 104 104 ILE HB H 1 1.78 0.070 . 1 . . . . 123 ILE HB . 15112 1 1249 . 1 1 104 104 ILE HG12 H 1 1.382 0.070 . 2 . . . . 123 ILE HG12 . 15112 1 1250 . 1 1 104 104 ILE HG13 H 1 1.075 0.070 . 2 . . . . 123 ILE HG13 . 15112 1 1251 . 1 1 104 104 ILE HG21 H 1 0.844 0.070 . 1 . . . . 123 ILE HG2 . 15112 1 1252 . 1 1 104 104 ILE HG22 H 1 0.844 0.070 . 1 . . . . 123 ILE HG2 . 15112 1 1253 . 1 1 104 104 ILE HG23 H 1 0.844 0.070 . 1 . . . . 123 ILE HG2 . 15112 1 1254 . 1 1 104 104 ILE HD11 H 1 0.794 0.070 . 1 . . . . 123 ILE HD1 . 15112 1 1255 . 1 1 104 104 ILE HD12 H 1 0.794 0.070 . 1 . . . . 123 ILE HD1 . 15112 1 1256 . 1 1 104 104 ILE HD13 H 1 0.794 0.070 . 1 . . . . 123 ILE HD1 . 15112 1 1257 . 1 1 104 104 ILE C C 13 175.633 0.160 . 1 . . . . 123 ILE C . 15112 1 1258 . 1 1 104 104 ILE CA C 13 58.758 0.110 . 1 . . . . 123 ILE CA . 15112 1 1259 . 1 1 104 104 ILE CB C 13 39.822 0.170 . 1 . . . . 123 ILE CB . 15112 1 1260 . 1 1 104 104 ILE CG1 C 13 27.460 0.170 . 1 . . . . 123 ILE CG1 . 15112 1 1261 . 1 1 104 104 ILE CG2 C 13 17.898 0.170 . 1 . . . . 123 ILE CG2 . 15112 1 1262 . 1 1 104 104 ILE CD1 C 13 12.497 0.170 . 1 . . . . 123 ILE CD1 . 15112 1 1263 . 1 1 104 104 ILE N N 15 117.697 0.390 . 1 . . . . 123 ILE N . 15112 1 1264 . 1 1 105 105 ALA H H 1 8.149 0.070 . 1 . . . . 124 ALA H . 15112 1 1265 . 1 1 105 105 ALA HA H 1 5.061 0.070 . 1 . . . . 124 ALA HA . 15112 1 1266 . 1 1 105 105 ALA HB1 H 1 1.125 0.070 . 1 . . . . 124 ALA HB . 15112 1 1267 . 1 1 105 105 ALA HB2 H 1 1.125 0.070 . 1 . . . . 124 ALA HB . 15112 1 1268 . 1 1 105 105 ALA HB3 H 1 1.125 0.070 . 1 . . . . 124 ALA HB . 15112 1 1269 . 1 1 105 105 ALA C C 13 176.102 0.160 . 1 . . . . 124 ALA C . 15112 1 1270 . 1 1 105 105 ALA CA C 13 50.460 0.110 . 1 . . . . 124 ALA CA . 15112 1 1271 . 1 1 105 105 ALA CB C 13 21.494 0.170 . 1 . . . . 124 ALA CB . 15112 1 1272 . 1 1 105 105 ALA N N 15 130.795 0.390 . 1 . . . . 124 ALA N . 15112 1 1273 . 1 1 106 106 THR H H 1 8.459 0.070 . 1 . . . . 125 THR H . 15112 1 1274 . 1 1 106 106 THR HA H 1 4.826 0.070 . 1 . . . . 125 THR HA . 15112 1 1275 . 1 1 106 106 THR HB H 1 4.311 0.070 . 1 . . . . 125 THR HB . 15112 1 1276 . 1 1 106 106 THR HG21 H 1 1.078 0.070 . 1 . . . . 125 THR HG2 . 15112 1 1277 . 1 1 106 106 THR HG22 H 1 1.078 0.070 . 1 . . . . 125 THR HG2 . 15112 1 1278 . 1 1 106 106 THR HG23 H 1 1.078 0.070 . 1 . . . . 125 THR HG2 . 15112 1 1279 . 1 1 106 106 THR C C 13 175.104 0.160 . 1 . . . . 125 THR C . 15112 1 1280 . 1 1 106 106 THR CA C 13 61.048 0.110 . 1 . . . . 125 THR CA . 15112 1 1281 . 1 1 106 106 THR CB C 13 71.025 0.170 . 1 . . . . 125 THR CB . 15112 1 1282 . 1 1 106 106 THR CG2 C 13 21.955 0.170 . 1 . . . . 125 THR CG2 . 15112 1 1283 . 1 1 106 106 THR N N 15 112.935 0.390 . 1 . . . . 125 THR N . 15112 1 1284 . 1 1 107 107 GLU H H 1 8.724 0.070 . 1 . . . . 126 GLU H . 15112 1 1285 . 1 1 107 107 GLU HA H 1 4.702 0.070 . 1 . . . . 126 GLU HA . 15112 1 1286 . 1 1 107 107 GLU HB2 H 1 2.076 0.070 . 2 . . . . 126 GLU HB2 . 15112 1 1287 . 1 1 107 107 GLU HB3 H 1 2.019 0.070 . 2 . . . . 126 GLU HB3 . 15112 1 1288 . 1 1 107 107 GLU HG2 H 1 2.351 0.070 . 2 . . . . 126 GLU HG2 . 15112 1 1289 . 1 1 107 107 GLU HG3 H 1 2.305 0.070 . 2 . . . . 126 GLU HG3 . 15112 1 1290 . 1 1 107 107 GLU C C 13 173.910 0.160 . 1 . . . . 126 GLU C . 15112 1 1291 . 1 1 107 107 GLU CA C 13 53.950 0.110 . 1 . . . . 126 GLU CA . 15112 1 1292 . 1 1 107 107 GLU CB C 13 29.756 0.170 . 1 . . . . 126 GLU CB . 15112 1 1293 . 1 1 107 107 GLU CG C 13 35.506 0.170 . 1 . . . . 126 GLU CG . 15112 1 1294 . 1 1 107 107 GLU CD C 13 184.067 0.170 . 1 . . . . 126 GLU CD . 15112 1 1295 . 1 1 107 107 GLU N N 15 127.021 0.390 . 1 . . . . 126 GLU N . 15112 1 1296 . 1 1 108 108 PRO HA H 1 5.258 0.070 . 1 . . . . 127 PRO HA . 15112 1 1297 . 1 1 108 108 PRO HB2 H 1 2.389 0.070 . 2 . . . . 127 PRO HB2 . 15112 1 1298 . 1 1 108 108 PRO HB3 H 1 1.729 0.070 . 2 . . . . 127 PRO HB3 . 15112 1 1299 . 1 1 108 108 PRO HG2 H 1 2.050 0.070 . 2 . . . . 127 PRO HG2 . 15112 1 1300 . 1 1 108 108 PRO HG3 H 1 2.014 0.070 . 2 . . . . 127 PRO HG3 . 15112 1 1301 . 1 1 108 108 PRO HD2 H 1 4.116 0.070 . 2 . . . . 127 PRO HD2 . 15112 1 1302 . 1 1 108 108 PRO HD3 H 1 3.760 0.070 . 2 . . . . 127 PRO HD3 . 15112 1 1303 . 1 1 108 108 PRO C C 13 177.347 0.160 . 1 . . . . 127 PRO C . 15112 1 1304 . 1 1 108 108 PRO CA C 13 61.866 0.110 . 1 . . . . 127 PRO CA . 15112 1 1305 . 1 1 108 108 PRO CB C 13 33.167 0.170 . 1 . . . . 127 PRO CB . 15112 1 1306 . 1 1 108 108 PRO CG C 13 27.119 0.170 . 1 . . . . 127 PRO CG . 15112 1 1307 . 1 1 108 108 PRO CD C 13 50.967 0.170 . 1 . . . . 127 PRO CD . 15112 1 1308 . 1 1 108 108 PRO N N 15 135.555 0.390 . 1 . . . . 127 PRO N . 15112 1 1309 . 1 1 109 109 VAL H H 1 8.541 0.070 . 1 . . . . 128 VAL H . 15112 1 1310 . 1 1 109 109 VAL HA H 1 4.921 0.070 . 1 . . . . 128 VAL HA . 15112 1 1311 . 1 1 109 109 VAL HB H 1 2.026 0.070 . 1 . . . . 128 VAL HB . 15112 1 1312 . 1 1 109 109 VAL HG11 H 1 1.031 0.070 . 2 . . . . 128 VAL HG1 . 15112 1 1313 . 1 1 109 109 VAL HG12 H 1 1.031 0.070 . 2 . . . . 128 VAL HG1 . 15112 1 1314 . 1 1 109 109 VAL HG13 H 1 1.031 0.070 . 2 . . . . 128 VAL HG1 . 15112 1 1315 . 1 1 109 109 VAL HG21 H 1 1.037 0.070 . 2 . . . . 128 VAL HG2 . 15112 1 1316 . 1 1 109 109 VAL HG22 H 1 1.037 0.070 . 2 . . . . 128 VAL HG2 . 15112 1 1317 . 1 1 109 109 VAL HG23 H 1 1.037 0.070 . 2 . . . . 128 VAL HG2 . 15112 1 1318 . 1 1 109 109 VAL C C 13 174.528 0.160 . 1 . . . . 128 VAL C . 15112 1 1319 . 1 1 109 109 VAL CA C 13 58.752 0.110 . 1 . . . . 128 VAL CA . 15112 1 1320 . 1 1 109 109 VAL CB C 13 35.104 0.170 . 1 . . . . 128 VAL CB . 15112 1 1321 . 1 1 109 109 VAL CG1 C 13 21.846 0.170 . 2 . . . . 128 VAL CG1 . 15112 1 1322 . 1 1 109 109 VAL CG2 C 13 18.817 0.170 . 2 . . . . 128 VAL CG2 . 15112 1 1323 . 1 1 109 109 VAL N N 15 112.053 0.390 . 1 . . . . 128 VAL N . 15112 1 1324 . 1 1 110 110 THR H H 1 8.691 0.070 . 1 . . . . 129 THR H . 15112 1 1325 . 1 1 110 110 THR HA H 1 5.388 0.070 . 1 . . . . 129 THR HA . 15112 1 1326 . 1 1 110 110 THR HB H 1 3.779 0.070 . 1 . . . . 129 THR HB . 15112 1 1327 . 1 1 110 110 THR HG21 H 1 0.787 0.070 . 1 . . . . 129 THR HG2 . 15112 1 1328 . 1 1 110 110 THR HG22 H 1 0.787 0.070 . 1 . . . . 129 THR HG2 . 15112 1 1329 . 1 1 110 110 THR HG23 H 1 0.787 0.070 . 1 . . . . 129 THR HG2 . 15112 1 1330 . 1 1 110 110 THR C C 13 172.332 0.160 . 1 . . . . 129 THR C . 15112 1 1331 . 1 1 110 110 THR CA C 13 61.663 0.110 . 1 . . . . 129 THR CA . 15112 1 1332 . 1 1 110 110 THR CB C 13 71.083 0.170 . 1 . . . . 129 THR CB . 15112 1 1333 . 1 1 110 110 THR CG2 C 13 21.319 0.170 . 1 . . . . 129 THR CG2 . 15112 1 1334 . 1 1 110 110 THR N N 15 119.243 0.390 . 1 . . . . 129 THR N . 15112 1 1335 . 1 1 111 111 ALA H H 1 9.159 0.070 . 1 . . . . 130 ALA H . 15112 1 1336 . 1 1 111 111 ALA HA H 1 5.185 0.070 . 1 . . . . 130 ALA HA . 15112 1 1337 . 1 1 111 111 ALA HB1 H 1 1.559 0.070 . 1 . . . . 130 ALA HB . 15112 1 1338 . 1 1 111 111 ALA HB2 H 1 1.559 0.070 . 1 . . . . 130 ALA HB . 15112 1 1339 . 1 1 111 111 ALA HB3 H 1 1.559 0.070 . 1 . . . . 130 ALA HB . 15112 1 1340 . 1 1 111 111 ALA C C 13 174.608 0.160 . 1 . . . . 130 ALA C . 15112 1 1341 . 1 1 111 111 ALA CA C 13 47.896 0.110 . 1 . . . . 130 ALA CA . 15112 1 1342 . 1 1 111 111 ALA CB C 13 21.440 0.170 . 1 . . . . 130 ALA CB . 15112 1 1343 . 1 1 111 111 ALA N N 15 131.173 0.390 . 1 . . . . 130 ALA N . 15112 1 1344 . 1 1 112 112 PRO HA H 1 4.864 0.070 . 1 . . . . 131 PRO HA . 15112 1 1345 . 1 1 112 112 PRO HB2 H 1 2.324 0.070 . 2 . . . . 131 PRO HB2 . 15112 1 1346 . 1 1 112 112 PRO HB3 H 1 1.925 0.070 . 2 . . . . 131 PRO HB3 . 15112 1 1347 . 1 1 112 112 PRO HG2 H 1 1.980 0.070 . 1 . . . . 131 PRO HG2 . 15112 1 1348 . 1 1 112 112 PRO HG3 H 1 1.980 0.070 . 1 . . . . 131 PRO HG3 . 15112 1 1349 . 1 1 112 112 PRO HD2 H 1 3.825 0.070 . 2 . . . . 131 PRO HD2 . 15112 1 1350 . 1 1 112 112 PRO HD3 H 1 3.800 0.070 . 2 . . . . 131 PRO HD3 . 15112 1 1351 . 1 1 112 112 PRO C C 13 178.499 0.160 . 1 . . . . 131 PRO C . 15112 1 1352 . 1 1 112 112 PRO CA C 13 63.733 0.110 . 1 . . . . 131 PRO CA . 15112 1 1353 . 1 1 112 112 PRO CB C 13 32.645 0.170 . 1 . . . . 131 PRO CB . 15112 1 1354 . 1 1 112 112 PRO CG C 13 27.094 0.170 . 1 . . . . 131 PRO CG . 15112 1 1355 . 1 1 112 112 PRO CD C 13 51.196 0.170 . 1 . . . . 131 PRO CD . 15112 1 1356 . 1 1 112 112 PRO N N 15 132.897 0.390 . 1 . . . . 131 PRO N . 15112 1 1357 . 1 1 113 113 ARG H H 1 9.141 0.070 . 1 . . . . 132 ARG H . 15112 1 1358 . 1 1 113 113 ARG HA H 1 4.107 0.070 . 1 . . . . 132 ARG HA . 15112 1 1359 . 1 1 113 113 ARG HB2 H 1 2.012 0.070 . 2 . . . . 132 ARG HB2 . 15112 1 1360 . 1 1 113 113 ARG HB3 H 1 1.636 0.070 . 2 . . . . 132 ARG HB3 . 15112 1 1361 . 1 1 113 113 ARG HG2 H 1 1.865 0.070 . 2 . . . . 132 ARG HG2 . 15112 1 1362 . 1 1 113 113 ARG HG3 H 1 1.604 0.070 . 2 . . . . 132 ARG HG3 . 15112 1 1363 . 1 1 113 113 ARG HD2 H 1 3.254 0.070 . 2 . . . . 132 ARG HD2 . 15112 1 1364 . 1 1 113 113 ARG HD3 H 1 3.150 0.070 . 2 . . . . 132 ARG HD3 . 15112 1 1365 . 1 1 113 113 ARG HE H 1 6.721 0.070 . 1 . . . . 132 ARG HE . 15112 1 1366 . 1 1 113 113 ARG HH11 H 1 6.429 0.070 . 2 . . . . 132 ARG HH11 . 15112 1 1367 . 1 1 113 113 ARG HH12 H 1 6.058 0.070 . 2 . . . . 132 ARG HH12 . 15112 1 1368 . 1 1 113 113 ARG HH21 H 1 6.429 0.070 . 2 . . . . 132 ARG HH21 . 15112 1 1369 . 1 1 113 113 ARG HH22 H 1 6.058 0.070 . 2 . . . . 132 ARG HH22 . 15112 1 1370 . 1 1 113 113 ARG C C 13 177.204 0.160 . 1 . . . . 132 ARG C . 15112 1 1371 . 1 1 113 113 ARG CA C 13 57.419 0.110 . 1 . . . . 132 ARG CA . 15112 1 1372 . 1 1 113 113 ARG CB C 13 31.542 0.170 . 1 . . . . 132 ARG CB . 15112 1 1373 . 1 1 113 113 ARG CG C 13 27.231 0.170 . 1 . . . . 132 ARG CG . 15112 1 1374 . 1 1 113 113 ARG CD C 13 44.578 0.170 . 1 . . . . 132 ARG CD . 15112 1 1375 . 1 1 113 113 ARG N N 15 114.826 0.390 . 1 . . . . 132 ARG N . 15112 1 1376 . 1 1 113 113 ARG NE N 15 85.981 0.390 . 1 . . . . 132 ARG NE . 15112 1 1377 . 1 1 113 113 ARG NH1 N 15 71.896 0.390 . 1 . . . . 132 ARG NH1 . 15112 1 1378 . 1 1 113 113 ARG NH2 N 15 71.896 0.390 . 1 . . . . 132 ARG NH2 . 15112 1 1379 . 1 1 114 114 LEU H H 1 7.557 0.070 . 1 . . . . 133 LEU H . 15112 1 1380 . 1 1 114 114 LEU HA H 1 4.355 0.070 . 1 . . . . 133 LEU HA . 15112 1 1381 . 1 1 114 114 LEU HB2 H 1 1.892 0.070 . 2 . . . . 133 LEU HB2 . 15112 1 1382 . 1 1 114 114 LEU HB3 H 1 1.173 0.070 . 2 . . . . 133 LEU HB3 . 15112 1 1383 . 1 1 114 114 LEU HG H 1 1.452 0.070 . 1 . . . . 133 LEU HG . 15112 1 1384 . 1 1 114 114 LEU HD11 H 1 0.843 0.070 . 2 . . . . 133 LEU HD1 . 15112 1 1385 . 1 1 114 114 LEU HD12 H 1 0.843 0.070 . 2 . . . . 133 LEU HD1 . 15112 1 1386 . 1 1 114 114 LEU HD13 H 1 0.843 0.070 . 2 . . . . 133 LEU HD1 . 15112 1 1387 . 1 1 114 114 LEU HD21 H 1 0.686 0.070 . 2 . . . . 133 LEU HD2 . 15112 1 1388 . 1 1 114 114 LEU HD22 H 1 0.686 0.070 . 2 . . . . 133 LEU HD2 . 15112 1 1389 . 1 1 114 114 LEU HD23 H 1 0.686 0.070 . 2 . . . . 133 LEU HD2 . 15112 1 1390 . 1 1 114 114 LEU C C 13 174.658 0.160 . 1 . . . . 133 LEU C . 15112 1 1391 . 1 1 114 114 LEU CA C 13 53.753 0.110 . 1 . . . . 133 LEU CA . 15112 1 1392 . 1 1 114 114 LEU CB C 13 44.264 0.170 . 1 . . . . 133 LEU CB . 15112 1 1393 . 1 1 114 114 LEU CG C 13 26.764 0.170 . 1 . . . . 133 LEU CG . 15112 1 1394 . 1 1 114 114 LEU CD1 C 13 26.408 0.170 . 2 . . . . 133 LEU CD1 . 15112 1 1395 . 1 1 114 114 LEU CD2 C 13 24.395 0.170 . 2 . . . . 133 LEU CD2 . 15112 1 1396 . 1 1 114 114 LEU N N 15 121.211 0.390 . 1 . . . . 133 LEU N . 15112 1 1397 . 1 1 115 115 LYS H H 1 9.090 0.070 . 1 . . . . 134 LYS H . 15112 1 1398 . 1 1 115 115 LYS HA H 1 4.545 0.070 . 1 . . . . 134 LYS HA . 15112 1 1399 . 1 1 115 115 LYS HB2 H 1 1.799 0.070 . 2 . . . . 134 LYS HB2 . 15112 1 1400 . 1 1 115 115 LYS HB3 H 1 1.721 0.070 . 2 . . . . 134 LYS HB3 . 15112 1 1401 . 1 1 115 115 LYS HG2 H 1 1.374 0.070 . 2 . . . . 134 LYS HG2 . 15112 1 1402 . 1 1 115 115 LYS HG3 H 1 1.354 0.070 . 2 . . . . 134 LYS HG3 . 15112 1 1403 . 1 1 115 115 LYS HD2 H 1 1.530 0.070 . 1 . . . . 134 LYS HD2 . 15112 1 1404 . 1 1 115 115 LYS HD3 H 1 1.530 0.070 . 1 . . . . 134 LYS HD3 . 15112 1 1405 . 1 1 115 115 LYS HE2 H 1 2.918 0.070 . 1 . . . . 134 LYS HE2 . 15112 1 1406 . 1 1 115 115 LYS HE3 H 1 2.918 0.070 . 1 . . . . 134 LYS HE3 . 15112 1 1407 . 1 1 115 115 LYS C C 13 177.752 0.160 . 1 . . . . 134 LYS C . 15112 1 1408 . 1 1 115 115 LYS CA C 13 55.247 0.110 . 1 . . . . 134 LYS CA . 15112 1 1409 . 1 1 115 115 LYS CB C 13 34.495 0.170 . 1 . . . . 134 LYS CB . 15112 1 1410 . 1 1 115 115 LYS CG C 13 24.303 0.170 . 1 . . . . 134 LYS CG . 15112 1 1411 . 1 1 115 115 LYS CD C 13 28.064 0.170 . 1 . . . . 134 LYS CD . 15112 1 1412 . 1 1 115 115 LYS CE C 13 42.227 0.170 . 1 . . . . 134 LYS CE . 15112 1 1413 . 1 1 115 115 LYS N N 15 119.500 0.390 . 1 . . . . 134 LYS N . 15112 1 1414 . 1 1 116 116 SER H H 1 8.450 0.070 . 1 . . . . 135 SER H . 15112 1 1415 . 1 1 116 116 SER HA H 1 5.005 0.070 . 1 . . . . 135 SER HA . 15112 1 1416 . 1 1 116 116 SER HB2 H 1 3.887 0.070 . 2 . . . . 135 SER HB2 . 15112 1 1417 . 1 1 116 116 SER HB3 H 1 3.618 0.070 . 2 . . . . 135 SER HB3 . 15112 1 1418 . 1 1 116 116 SER C C 13 175.383 0.160 . 1 . . . . 135 SER C . 15112 1 1419 . 1 1 116 116 SER CA C 13 55.719 0.110 . 1 . . . . 135 SER CA . 15112 1 1420 . 1 1 116 116 SER CB C 13 65.791 0.170 . 1 . . . . 135 SER CB . 15112 1 1421 . 1 1 116 116 SER N N 15 114.924 0.390 . 1 . . . . 135 SER N . 15112 1 1422 . 1 1 117 117 LEU H H 1 10.150 0.070 . 1 . . . . 136 LEU H . 15112 1 1423 . 1 1 117 117 LEU HA H 1 3.853 0.070 . 1 . . . . 136 LEU HA . 15112 1 1424 . 1 1 117 117 LEU HB2 H 1 1.572 0.070 . 2 . . . . 136 LEU HB2 . 15112 1 1425 . 1 1 117 117 LEU HB3 H 1 1.330 0.070 . 2 . . . . 136 LEU HB3 . 15112 1 1426 . 1 1 117 117 LEU HG H 1 1.423 0.070 . 1 . . . . 136 LEU HG . 15112 1 1427 . 1 1 117 117 LEU HD11 H 1 0.603 0.070 . 2 . . . . 136 LEU HD1 . 15112 1 1428 . 1 1 117 117 LEU HD12 H 1 0.603 0.070 . 2 . . . . 136 LEU HD1 . 15112 1 1429 . 1 1 117 117 LEU HD13 H 1 0.603 0.070 . 2 . . . . 136 LEU HD1 . 15112 1 1430 . 1 1 117 117 LEU HD21 H 1 0.580 0.070 . 2 . . . . 136 LEU HD2 . 15112 1 1431 . 1 1 117 117 LEU HD22 H 1 0.580 0.070 . 2 . . . . 136 LEU HD2 . 15112 1 1432 . 1 1 117 117 LEU HD23 H 1 0.580 0.070 . 2 . . . . 136 LEU HD2 . 15112 1 1433 . 1 1 117 117 LEU C C 13 179.278 0.160 . 1 . . . . 136 LEU C . 15112 1 1434 . 1 1 117 117 LEU CA C 13 57.136 0.110 . 1 . . . . 136 LEU CA . 15112 1 1435 . 1 1 117 117 LEU CB C 13 41.244 0.170 . 1 . . . . 136 LEU CB . 15112 1 1436 . 1 1 117 117 LEU CG C 13 27.530 0.170 . 1 . . . . 136 LEU CG . 15112 1 1437 . 1 1 117 117 LEU CD1 C 13 24.990 0.170 . 2 . . . . 136 LEU CD1 . 15112 1 1438 . 1 1 117 117 LEU CD2 C 13 22.802 0.170 . 2 . . . . 136 LEU CD2 . 15112 1 1439 . 1 1 117 117 LEU N N 15 128.550 0.390 . 1 . . . . 136 LEU N . 15112 1 1440 . 1 1 118 118 ASP H H 1 8.289 0.070 . 1 . . . . 137 ASP H . 15112 1 1441 . 1 1 118 118 ASP HA H 1 4.155 0.070 . 1 . . . . 137 ASP HA . 15112 1 1442 . 1 1 118 118 ASP HB2 H 1 2.527 0.070 . 1 . . . . 137 ASP HB2 . 15112 1 1443 . 1 1 118 118 ASP HB3 H 1 2.527 0.070 . 1 . . . . 137 ASP HB3 . 15112 1 1444 . 1 1 118 118 ASP C C 13 178.295 0.160 . 1 . . . . 137 ASP C . 15112 1 1445 . 1 1 118 118 ASP CA C 13 57.084 0.110 . 1 . . . . 137 ASP CA . 15112 1 1446 . 1 1 118 118 ASP CB C 13 40.253 0.170 . 1 . . . . 137 ASP CB . 15112 1 1447 . 1 1 118 118 ASP CG C 13 179.542 0.170 . 1 . . . . 137 ASP CG . 15112 1 1448 . 1 1 118 118 ASP N N 15 118.301 0.390 . 1 . . . . 137 ASP N . 15112 1 1449 . 1 1 119 119 GLU H H 1 7.584 0.070 . 1 . . . . 138 GLU H . 15112 1 1450 . 1 1 119 119 GLU HA H 1 4.062 0.070 . 1 . . . . 138 GLU HA . 15112 1 1451 . 1 1 119 119 GLU HB2 H 1 2.317 0.070 . 2 . . . . 138 GLU HB2 . 15112 1 1452 . 1 1 119 119 GLU HB3 H 1 1.963 0.070 . 2 . . . . 138 GLU HB3 . 15112 1 1453 . 1 1 119 119 GLU HG2 H 1 2.289 0.070 . 1 . . . . 138 GLU HG2 . 15112 1 1454 . 1 1 119 119 GLU HG3 H 1 2.289 0.070 . 1 . . . . 138 GLU HG3 . 15112 1 1455 . 1 1 119 119 GLU C C 13 177.482 0.160 . 1 . . . . 138 GLU C . 15112 1 1456 . 1 1 119 119 GLU CA C 13 58.347 0.110 . 1 . . . . 138 GLU CA . 15112 1 1457 . 1 1 119 119 GLU CB C 13 31.471 0.170 . 1 . . . . 138 GLU CB . 15112 1 1458 . 1 1 119 119 GLU CG C 13 37.906 0.170 . 1 . . . . 138 GLU CG . 15112 1 1459 . 1 1 119 119 GLU CD C 13 182.858 0.170 . 1 . . . . 138 GLU CD . 15112 1 1460 . 1 1 119 119 GLU N N 15 116.419 0.390 . 1 . . . . 138 GLU N . 15112 1 1461 . 1 1 120 120 VAL H H 1 7.206 0.070 . 1 . . . . 139 VAL H . 15112 1 1462 . 1 1 120 120 VAL HA H 1 4.368 0.070 . 1 . . . . 139 VAL HA . 15112 1 1463 . 1 1 120 120 VAL HB H 1 2.507 0.070 . 1 . . . . 139 VAL HB . 15112 1 1464 . 1 1 120 120 VAL HG11 H 1 0.683 0.070 . 2 . . . . 139 VAL HG1 . 15112 1 1465 . 1 1 120 120 VAL HG12 H 1 0.683 0.070 . 2 . . . . 139 VAL HG1 . 15112 1 1466 . 1 1 120 120 VAL HG13 H 1 0.683 0.070 . 2 . . . . 139 VAL HG1 . 15112 1 1467 . 1 1 120 120 VAL HG21 H 1 0.791 0.070 . 2 . . . . 139 VAL HG2 . 15112 1 1468 . 1 1 120 120 VAL HG22 H 1 0.791 0.070 . 2 . . . . 139 VAL HG2 . 15112 1 1469 . 1 1 120 120 VAL HG23 H 1 0.791 0.070 . 2 . . . . 139 VAL HG2 . 15112 1 1470 . 1 1 120 120 VAL C C 13 172.340 0.160 . 1 . . . . 139 VAL C . 15112 1 1471 . 1 1 120 120 VAL CA C 13 59.117 0.110 . 1 . . . . 139 VAL CA . 15112 1 1472 . 1 1 120 120 VAL CB C 13 31.058 0.170 . 1 . . . . 139 VAL CB . 15112 1 1473 . 1 1 120 120 VAL CG1 C 13 23.557 0.170 . 2 . . . . 139 VAL CG1 . 15112 1 1474 . 1 1 120 120 VAL CG2 C 13 19.343 0.170 . 2 . . . . 139 VAL CG2 . 15112 1 1475 . 1 1 120 120 VAL N N 15 107.073 0.390 . 1 . . . . 139 VAL N . 15112 1 1476 . 1 1 121 121 LYS H H 1 6.493 0.070 . 1 . . . . 140 LYS H . 15112 1 1477 . 1 1 121 121 LYS HA H 1 3.645 0.070 . 1 . . . . 140 LYS HA . 15112 1 1478 . 1 1 121 121 LYS HB2 H 1 1.635 0.070 . 1 . . . . 140 LYS HB2 . 15112 1 1479 . 1 1 121 121 LYS HB3 H 1 1.635 0.070 . 1 . . . . 140 LYS HB3 . 15112 1 1480 . 1 1 121 121 LYS HG2 H 1 1.533 0.070 . 2 . . . . 140 LYS HG2 . 15112 1 1481 . 1 1 121 121 LYS HG3 H 1 1.347 0.070 . 2 . . . . 140 LYS HG3 . 15112 1 1482 . 1 1 121 121 LYS HD2 H 1 1.632 0.070 . 1 . . . . 140 LYS HD2 . 15112 1 1483 . 1 1 121 121 LYS HD3 H 1 1.632 0.070 . 1 . . . . 140 LYS HD3 . 15112 1 1484 . 1 1 121 121 LYS HE2 H 1 2.919 0.070 . 1 . . . . 140 LYS HE2 . 15112 1 1485 . 1 1 121 121 LYS HE3 H 1 2.919 0.070 . 1 . . . . 140 LYS HE3 . 15112 1 1486 . 1 1 121 121 LYS C C 13 177.602 0.160 . 1 . . . . 140 LYS C . 15112 1 1487 . 1 1 121 121 LYS CA C 13 57.650 0.110 . 1 . . . . 140 LYS CA . 15112 1 1488 . 1 1 121 121 LYS CB C 13 32.896 0.170 . 1 . . . . 140 LYS CB . 15112 1 1489 . 1 1 121 121 LYS CG C 13 24.227 0.170 . 1 . . . . 140 LYS CG . 15112 1 1490 . 1 1 121 121 LYS CD C 13 29.188 0.170 . 1 . . . . 140 LYS CD . 15112 1 1491 . 1 1 121 121 LYS CE C 13 41.736 0.170 . 1 . . . . 140 LYS CE . 15112 1 1492 . 1 1 121 121 LYS N N 15 120.080 0.390 . 1 . . . . 140 LYS N . 15112 1 1493 . 1 1 122 122 ASP H H 1 8.959 0.070 . 1 . . . . 141 ASP H . 15112 1 1494 . 1 1 122 122 ASP HA H 1 4.306 0.070 . 1 . . . . 141 ASP HA . 15112 1 1495 . 1 1 122 122 ASP HB2 H 1 2.992 0.070 . 2 . . . . 141 ASP HB2 . 15112 1 1496 . 1 1 122 122 ASP HB3 H 1 2.513 0.070 . 2 . . . . 141 ASP HB3 . 15112 1 1497 . 1 1 122 122 ASP C C 13 174.060 0.160 . 1 . . . . 141 ASP C . 15112 1 1498 . 1 1 122 122 ASP CA C 13 55.361 0.110 . 1 . . . . 141 ASP CA . 15112 1 1499 . 1 1 122 122 ASP CB C 13 39.082 0.170 . 1 . . . . 141 ASP CB . 15112 1 1500 . 1 1 122 122 ASP CG C 13 181.821 0.170 . 1 . . . . 141 ASP CG . 15112 1 1501 . 1 1 122 122 ASP N N 15 124.851 0.390 . 1 . . . . 141 ASP N . 15112 1 1502 . 1 1 123 123 LYS H H 1 7.122 0.070 . 1 . . . . 142 LYS H . 15112 1 1503 . 1 1 123 123 LYS HA H 1 4.231 0.070 . 1 . . . . 142 LYS HA . 15112 1 1504 . 1 1 123 123 LYS HB2 H 1 2.260 0.070 . 2 . . . . 142 LYS HB2 . 15112 1 1505 . 1 1 123 123 LYS HB3 H 1 1.681 0.070 . 2 . . . . 142 LYS HB3 . 15112 1 1506 . 1 1 123 123 LYS HG2 H 1 1.124 0.070 . 2 . . . . 142 LYS HG2 . 15112 1 1507 . 1 1 123 123 LYS HG3 H 1 0.979 0.070 . 2 . . . . 142 LYS HG3 . 15112 1 1508 . 1 1 123 123 LYS HD2 H 1 1.522 0.070 . 1 . . . . 142 LYS HD2 . 15112 1 1509 . 1 1 123 123 LYS HD3 H 1 1.522 0.070 . 1 . . . . 142 LYS HD3 . 15112 1 1510 . 1 1 123 123 LYS HE2 H 1 3.017 0.070 . 2 . . . . 142 LYS HE2 . 15112 1 1511 . 1 1 123 123 LYS HE3 H 1 2.703 0.070 . 2 . . . . 142 LYS HE3 . 15112 1 1512 . 1 1 123 123 LYS C C 13 175.201 0.160 . 1 . . . . 142 LYS C . 15112 1 1513 . 1 1 123 123 LYS CA C 13 52.650 0.110 . 1 . . . . 142 LYS CA . 15112 1 1514 . 1 1 123 123 LYS CB C 13 33.815 0.170 . 1 . . . . 142 LYS CB . 15112 1 1515 . 1 1 123 123 LYS CG C 13 24.332 0.170 . 1 . . . . 142 LYS CG . 15112 1 1516 . 1 1 123 123 LYS CD C 13 26.871 0.170 . 1 . . . . 142 LYS CD . 15112 1 1517 . 1 1 123 123 LYS CE C 13 42.846 0.170 . 1 . . . . 142 LYS CE . 15112 1 1518 . 1 1 123 123 LYS N N 15 114.212 0.390 . 1 . . . . 142 LYS N . 15112 1 1519 . 1 1 124 124 ALA H H 1 6.756 0.070 . 1 . . . . 143 ALA H . 15112 1 1520 . 1 1 124 124 ALA HA H 1 5.096 0.070 . 1 . . . . 143 ALA HA . 15112 1 1521 . 1 1 124 124 ALA HB1 H 1 1.379 0.070 . 1 . . . . 143 ALA HB . 15112 1 1522 . 1 1 124 124 ALA HB2 H 1 1.379 0.070 . 1 . . . . 143 ALA HB . 15112 1 1523 . 1 1 124 124 ALA HB3 H 1 1.379 0.070 . 1 . . . . 143 ALA HB . 15112 1 1524 . 1 1 124 124 ALA C C 13 175.279 0.160 . 1 . . . . 143 ALA C . 15112 1 1525 . 1 1 124 124 ALA CA C 13 51.066 0.110 . 1 . . . . 143 ALA CA . 15112 1 1526 . 1 1 124 124 ALA CB C 13 21.112 0.170 . 1 . . . . 143 ALA CB . 15112 1 1527 . 1 1 124 124 ALA N N 15 123.111 0.390 . 1 . . . . 143 ALA N . 15112 1 1528 . 1 1 125 125 LEU H H 1 9.555 0.070 . 1 . . . . 144 LEU H . 15112 1 1529 . 1 1 125 125 LEU HA H 1 4.648 0.070 . 1 . . . . 144 LEU HA . 15112 1 1530 . 1 1 125 125 LEU HB2 H 1 1.918 0.070 . 2 . . . . 144 LEU HB2 . 15112 1 1531 . 1 1 125 125 LEU HB3 H 1 1.096 0.070 . 2 . . . . 144 LEU HB3 . 15112 1 1532 . 1 1 125 125 LEU HG H 1 1.313 0.070 . 1 . . . . 144 LEU HG . 15112 1 1533 . 1 1 125 125 LEU HD11 H 1 0.935 0.070 . 2 . . . . 144 LEU HD1 . 15112 1 1534 . 1 1 125 125 LEU HD12 H 1 0.935 0.070 . 2 . . . . 144 LEU HD1 . 15112 1 1535 . 1 1 125 125 LEU HD13 H 1 0.935 0.070 . 2 . . . . 144 LEU HD1 . 15112 1 1536 . 1 1 125 125 LEU HD21 H 1 0.246 0.070 . 2 . . . . 144 LEU HD2 . 15112 1 1537 . 1 1 125 125 LEU HD22 H 1 0.246 0.070 . 2 . . . . 144 LEU HD2 . 15112 1 1538 . 1 1 125 125 LEU HD23 H 1 0.246 0.070 . 2 . . . . 144 LEU HD2 . 15112 1 1539 . 1 1 125 125 LEU C C 13 173.458 0.160 . 1 . . . . 144 LEU C . 15112 1 1540 . 1 1 125 125 LEU CA C 13 53.947 0.110 . 1 . . . . 144 LEU CA . 15112 1 1541 . 1 1 125 125 LEU CB C 13 43.968 0.170 . 1 . . . . 144 LEU CB . 15112 1 1542 . 1 1 125 125 LEU CG C 13 27.063 0.170 . 1 . . . . 144 LEU CG . 15112 1 1543 . 1 1 125 125 LEU CD1 C 13 25.911 0.170 . 2 . . . . 144 LEU CD1 . 15112 1 1544 . 1 1 125 125 LEU CD2 C 13 24.114 0.170 . 2 . . . . 144 LEU CD2 . 15112 1 1545 . 1 1 125 125 LEU N N 15 126.976 0.390 . 1 . . . . 144 LEU N . 15112 1 1546 . 1 1 126 126 MET H H 1 9.207 0.070 . 1 . . . . 145 MET H . 15112 1 1547 . 1 1 126 126 MET HA H 1 5.138 0.070 . 1 . . . . 145 MET HA . 15112 1 1548 . 1 1 126 126 MET HB2 H 1 2.721 0.070 . 2 . . . . 145 MET HB2 . 15112 1 1549 . 1 1 126 126 MET HB3 H 1 1.394 0.070 . 2 . . . . 145 MET HB3 . 15112 1 1550 . 1 1 126 126 MET HG2 H 1 1.788 0.070 . 2 . . . . 145 MET HG2 . 15112 1 1551 . 1 1 126 126 MET HG3 H 1 1.582 0.070 . 2 . . . . 145 MET HG3 . 15112 1 1552 . 1 1 126 126 MET HE1 H 1 1.289 0.070 . 1 . . . . 145 MET HE . 15112 1 1553 . 1 1 126 126 MET HE2 H 1 1.289 0.070 . 1 . . . . 145 MET HE . 15112 1 1554 . 1 1 126 126 MET HE3 H 1 1.289 0.070 . 1 . . . . 145 MET HE . 15112 1 1555 . 1 1 126 126 MET C C 13 174.682 0.160 . 1 . . . . 145 MET C . 15112 1 1556 . 1 1 126 126 MET CA C 13 52.837 0.110 . 1 . . . . 145 MET CA . 15112 1 1557 . 1 1 126 126 MET CB C 13 39.355 0.170 . 1 . . . . 145 MET CB . 15112 1 1558 . 1 1 126 126 MET CG C 13 32.906 0.170 . 1 . . . . 145 MET CG . 15112 1 1559 . 1 1 126 126 MET CE C 13 17.019 0.170 . 1 . . . . 145 MET CE . 15112 1 1560 . 1 1 126 126 MET N N 15 130.155 0.390 . 1 . . . . 145 MET N . 15112 1 1561 . 1 1 127 127 ILE H H 1 8.416 0.070 . 1 . . . . 146 ILE H . 15112 1 1562 . 1 1 127 127 ILE HA H 1 5.155 0.070 . 1 . . . . 146 ILE HA . 15112 1 1563 . 1 1 127 127 ILE HB H 1 1.328 0.070 . 1 . . . . 146 ILE HB . 15112 1 1564 . 1 1 127 127 ILE HG12 H 1 1.521 0.070 . 2 . . . . 146 ILE HG12 . 15112 1 1565 . 1 1 127 127 ILE HG13 H 1 0.818 0.070 . 2 . . . . 146 ILE HG13 . 15112 1 1566 . 1 1 127 127 ILE HG21 H 1 0.646 0.070 . 1 . . . . 146 ILE HG2 . 15112 1 1567 . 1 1 127 127 ILE HG22 H 1 0.646 0.070 . 1 . . . . 146 ILE HG2 . 15112 1 1568 . 1 1 127 127 ILE HG23 H 1 0.646 0.070 . 1 . . . . 146 ILE HG2 . 15112 1 1569 . 1 1 127 127 ILE HD11 H 1 0.425 0.070 . 1 . . . . 146 ILE HD1 . 15112 1 1570 . 1 1 127 127 ILE HD12 H 1 0.425 0.070 . 1 . . . . 146 ILE HD1 . 15112 1 1571 . 1 1 127 127 ILE HD13 H 1 0.425 0.070 . 1 . . . . 146 ILE HD1 . 15112 1 1572 . 1 1 127 127 ILE C C 13 177.042 0.160 . 1 . . . . 146 ILE C . 15112 1 1573 . 1 1 127 127 ILE CA C 13 59.796 0.110 . 1 . . . . 146 ILE CA . 15112 1 1574 . 1 1 127 127 ILE CB C 13 40.913 0.170 . 1 . . . . 146 ILE CB . 15112 1 1575 . 1 1 127 127 ILE CG1 C 13 27.689 0.170 . 1 . . . . 146 ILE CG1 . 15112 1 1576 . 1 1 127 127 ILE CG2 C 13 16.852 0.170 . 1 . . . . 146 ILE CG2 . 15112 1 1577 . 1 1 127 127 ILE CD1 C 13 15.410 0.170 . 1 . . . . 146 ILE CD1 . 15112 1 1578 . 1 1 127 127 ILE N N 15 123.074 0.390 . 1 . . . . 146 ILE N . 15112 1 1579 . 1 1 128 128 HIS H H 1 9.294 0.070 . 1 . . . . 147 HIS H . 15112 1 1580 . 1 1 128 128 HIS HA H 1 4.857 0.070 . 1 . . . . 147 HIS HA . 15112 1 1581 . 1 1 128 128 HIS HB2 H 1 3.847 0.070 . 2 . . . . 147 HIS HB2 . 15112 1 1582 . 1 1 128 128 HIS HB3 H 1 2.764 0.070 . 2 . . . . 147 HIS HB3 . 15112 1 1583 . 1 1 128 128 HIS HE1 H 1 7.455 0.070 . 1 . . . . 147 HIS HE1 . 15112 1 1584 . 1 1 128 128 HIS C C 13 175.082 0.160 . 1 . . . . 147 HIS C . 15112 1 1585 . 1 1 128 128 HIS CA C 13 56.265 0.110 . 1 . . . . 147 HIS CA . 15112 1 1586 . 1 1 128 128 HIS CB C 13 30.348 0.170 . 1 . . . . 147 HIS CB . 15112 1 1587 . 1 1 128 128 HIS CG C 13 128.644 0.170 . 1 . . . . 147 HIS CG . 15112 1 1588 . 1 1 128 128 HIS CD2 C 13 128.312 0.170 . 1 . . . . 147 HIS CD2 . 15112 1 1589 . 1 1 128 128 HIS CE1 C 13 139.309 0.170 . 1 . . . . 147 HIS CE1 . 15112 1 1590 . 1 1 128 128 HIS N N 15 128.844 0.390 . 1 . . . . 147 HIS N . 15112 1 1591 . 1 1 129 129 VAL H H 1 9.179 0.070 . 1 . . . . 148 VAL H . 15112 1 1592 . 1 1 129 129 VAL HA H 1 3.644 0.070 . 1 . . . . 148 VAL HA . 15112 1 1593 . 1 1 129 129 VAL HB H 1 2.146 0.070 . 1 . . . . 148 VAL HB . 15112 1 1594 . 1 1 129 129 VAL HG11 H 1 1.112 0.070 . 2 . . . . 148 VAL HG1 . 15112 1 1595 . 1 1 129 129 VAL HG12 H 1 1.112 0.070 . 2 . . . . 148 VAL HG1 . 15112 1 1596 . 1 1 129 129 VAL HG13 H 1 1.112 0.070 . 2 . . . . 148 VAL HG1 . 15112 1 1597 . 1 1 129 129 VAL HG21 H 1 1.048 0.070 . 2 . . . . 148 VAL HG2 . 15112 1 1598 . 1 1 129 129 VAL HG22 H 1 1.048 0.070 . 2 . . . . 148 VAL HG2 . 15112 1 1599 . 1 1 129 129 VAL HG23 H 1 1.048 0.070 . 2 . . . . 148 VAL HG2 . 15112 1 1600 . 1 1 129 129 VAL C C 13 177.570 0.160 . 1 . . . . 148 VAL C . 15112 1 1601 . 1 1 129 129 VAL CA C 13 66.279 0.110 . 1 . . . . 148 VAL CA . 15112 1 1602 . 1 1 129 129 VAL CB C 13 32.812 0.170 . 1 . . . . 148 VAL CB . 15112 1 1603 . 1 1 129 129 VAL CG1 C 13 23.280 0.170 . 2 . . . . 148 VAL CG1 . 15112 1 1604 . 1 1 129 129 VAL CG2 C 13 20.907 0.170 . 2 . . . . 148 VAL CG2 . 15112 1 1605 . 1 1 129 129 VAL N N 15 121.035 0.390 . 1 . . . . 148 VAL N . 15112 1 1606 . 1 1 130 130 GLY H H 1 8.632 0.070 . 1 . . . . 149 GLY H . 15112 1 1607 . 1 1 130 130 GLY HA2 H 1 4.362 0.070 . 2 . . . . 149 GLY HA2 . 15112 1 1608 . 1 1 130 130 GLY HA3 H 1 3.856 0.070 . 2 . . . . 149 GLY HA3 . 15112 1 1609 . 1 1 130 130 GLY C C 13 173.365 0.160 . 1 . . . . 149 GLY C . 15112 1 1610 . 1 1 130 130 GLY CA C 13 43.311 0.110 . 1 . . . . 149 GLY CA . 15112 1 1611 . 1 1 130 130 GLY N N 15 109.751 0.390 . 1 . . . . 149 GLY N . 15112 1 1612 . 1 1 131 131 GLY H H 1 7.865 0.070 . 1 . . . . 150 GLY H . 15112 1 1613 . 1 1 131 131 GLY HA2 H 1 3.811 0.070 . 2 . . . . 150 GLY HA2 . 15112 1 1614 . 1 1 131 131 GLY HA3 H 1 3.481 0.070 . 2 . . . . 150 GLY HA3 . 15112 1 1615 . 1 1 131 131 GLY C C 13 171.762 0.160 . 1 . . . . 150 GLY C . 15112 1 1616 . 1 1 131 131 GLY CA C 13 44.096 0.110 . 1 . . . . 150 GLY CA . 15112 1 1617 . 1 1 131 131 GLY N N 15 106.110 0.390 . 1 . . . . 150 GLY N . 15112 1 1618 . 1 1 132 132 ASP H H 1 8.034 0.070 . 1 . . . . 151 ASP H . 15112 1 1619 . 1 1 132 132 ASP HA H 1 4.921 0.070 . 1 . . . . 151 ASP HA . 15112 1 1620 . 1 1 132 132 ASP HB2 H 1 3.065 0.070 . 2 . . . . 151 ASP HB2 . 15112 1 1621 . 1 1 132 132 ASP HB3 H 1 2.448 0.070 . 2 . . . . 151 ASP HB3 . 15112 1 1622 . 1 1 132 132 ASP C C 13 174.998 0.160 . 1 . . . . 151 ASP C . 15112 1 1623 . 1 1 132 132 ASP CA C 13 53.397 0.110 . 1 . . . . 151 ASP CA . 15112 1 1624 . 1 1 132 132 ASP CB C 13 43.795 0.170 . 1 . . . . 151 ASP CB . 15112 1 1625 . 1 1 132 132 ASP CG C 13 183.656 0.170 . 1 . . . . 151 ASP CG . 15112 1 1626 . 1 1 132 132 ASP N N 15 117.004 0.390 . 1 . . . . 151 ASP N . 15112 1 1627 . 1 1 133 133 ASN H H 1 8.462 0.070 . 1 . . . . 152 ASN H . 15112 1 1628 . 1 1 133 133 ASN HA H 1 4.845 0.070 . 1 . . . . 152 ASN HA . 15112 1 1629 . 1 1 133 133 ASN HB2 H 1 3.216 0.070 . 2 . . . . 152 ASN HB2 . 15112 1 1630 . 1 1 133 133 ASN HB3 H 1 2.622 0.070 . 2 . . . . 152 ASN HB3 . 15112 1 1631 . 1 1 133 133 ASN HD21 H 1 7.500 0.070 . 2 . . . . 152 ASN HD21 . 15112 1 1632 . 1 1 133 133 ASN HD22 H 1 6.818 0.070 . 2 . . . . 152 ASN HD22 . 15112 1 1633 . 1 1 133 133 ASN C C 13 176.518 0.160 . 1 . . . . 152 ASN C . 15112 1 1634 . 1 1 133 133 ASN CA C 13 51.457 0.110 . 1 . . . . 152 ASN CA . 15112 1 1635 . 1 1 133 133 ASN CB C 13 37.473 0.170 . 1 . . . . 152 ASN CB . 15112 1 1636 . 1 1 133 133 ASN CG C 13 178.673 0.170 . 1 . . . . 152 ASN CG . 15112 1 1637 . 1 1 133 133 ASN N N 15 126.469 0.390 . 1 . . . . 152 ASN N . 15112 1 1638 . 1 1 133 133 ASN ND2 N 15 113.375 0.390 . 1 . . . . 152 ASN ND2 . 15112 1 1639 . 1 1 134 134 MET H H 1 9.446 0.070 . 1 . . . . 153 MET H . 15112 1 1640 . 1 1 134 134 MET HA H 1 3.458 0.070 . 1 . . . . 153 MET HA . 15112 1 1641 . 1 1 134 134 MET HB2 H 1 2.409 0.070 . 2 . . . . 153 MET HB2 . 15112 1 1642 . 1 1 134 134 MET HB3 H 1 1.614 0.070 . 2 . . . . 153 MET HB3 . 15112 1 1643 . 1 1 134 134 MET HG2 H 1 2.719 0.070 . 2 . . . . 153 MET HG2 . 15112 1 1644 . 1 1 134 134 MET HG3 H 1 2.110 0.070 . 2 . . . . 153 MET HG3 . 15112 1 1645 . 1 1 134 134 MET HE1 H 1 2.216 0.070 . 1 . . . . 153 MET HE . 15112 1 1646 . 1 1 134 134 MET HE2 H 1 2.216 0.070 . 1 . . . . 153 MET HE . 15112 1 1647 . 1 1 134 134 MET HE3 H 1 2.216 0.070 . 1 . . . . 153 MET HE . 15112 1 1648 . 1 1 134 134 MET C C 13 173.438 0.160 . 1 . . . . 153 MET C . 15112 1 1649 . 1 1 134 134 MET CA C 13 55.186 0.110 . 1 . . . . 153 MET CA . 15112 1 1650 . 1 1 134 134 MET CB C 13 27.375 0.170 . 1 . . . . 153 MET CB . 15112 1 1651 . 1 1 134 134 MET CG C 13 32.168 0.170 . 1 . . . . 153 MET CG . 15112 1 1652 . 1 1 134 134 MET CE C 13 18.479 0.170 . 1 . . . . 153 MET CE . 15112 1 1653 . 1 1 134 134 MET N N 15 112.943 0.390 . 1 . . . . 153 MET N . 15112 1 1654 . 1 1 135 135 SER H H 1 7.387 0.070 . 1 . . . . 154 SER H . 15112 1 1655 . 1 1 135 135 SER HA H 1 5.050 0.070 . 1 . . . . 154 SER HA . 15112 1 1656 . 1 1 135 135 SER HB2 H 1 3.733 0.070 . 2 . . . . 154 SER HB2 . 15112 1 1657 . 1 1 135 135 SER HB3 H 1 3.623 0.070 . 2 . . . . 154 SER HB3 . 15112 1 1658 . 1 1 135 135 SER C C 13 173.608 0.160 . 1 . . . . 154 SER C . 15112 1 1659 . 1 1 135 135 SER CA C 13 55.673 0.110 . 1 . . . . 154 SER CA . 15112 1 1660 . 1 1 135 135 SER CB C 13 63.935 0.170 . 1 . . . . 154 SER CB . 15112 1 1661 . 1 1 135 135 SER N N 15 109.296 0.390 . 1 . . . . 154 SER N . 15112 1 1662 . 1 1 136 136 ASP H H 1 7.814 0.070 . 1 . . . . 155 ASP H . 15112 1 1663 . 1 1 136 136 ASP HA H 1 5.272 0.070 . 1 . . . . 155 ASP HA . 15112 1 1664 . 1 1 136 136 ASP HB2 H 1 2.970 0.070 . 2 . . . . 155 ASP HB2 . 15112 1 1665 . 1 1 136 136 ASP HB3 H 1 2.420 0.070 . 2 . . . . 155 ASP HB3 . 15112 1 1666 . 1 1 136 136 ASP C C 13 174.044 0.160 . 1 . . . . 155 ASP C . 15112 1 1667 . 1 1 136 136 ASP CA C 13 55.450 0.110 . 1 . . . . 155 ASP CA . 15112 1 1668 . 1 1 136 136 ASP CB C 13 42.543 0.170 . 1 . . . . 155 ASP CB . 15112 1 1669 . 1 1 136 136 ASP CG C 13 181.824 0.170 . 1 . . . . 155 ASP CG . 15112 1 1670 . 1 1 136 136 ASP N N 15 121.246 0.390 . 1 . . . . 155 ASP N . 15112 1 1671 . 1 1 137 137 GLN H H 1 8.371 0.070 . 1 . . . . 156 GLN H . 15112 1 1672 . 1 1 137 137 GLN HA H 1 4.394 0.070 . 1 . . . . 156 GLN HA . 15112 1 1673 . 1 1 137 137 GLN HB2 H 1 1.901 0.070 . 2 . . . . 156 GLN HB2 . 15112 1 1674 . 1 1 137 137 GLN HB3 H 1 1.704 0.070 . 2 . . . . 156 GLN HB3 . 15112 1 1675 . 1 1 137 137 GLN HG2 H 1 2.230 0.070 . 2 . . . . 156 GLN HG2 . 15112 1 1676 . 1 1 137 137 GLN HG3 H 1 2.185 0.070 . 2 . . . . 156 GLN HG3 . 15112 1 1677 . 1 1 137 137 GLN HE21 H 1 7.367 0.070 . 2 . . . . 156 GLN HE21 . 15112 1 1678 . 1 1 137 137 GLN HE22 H 1 6.704 0.070 . 2 . . . . 156 GLN HE22 . 15112 1 1679 . 1 1 137 137 GLN C C 13 174.782 0.160 . 1 . . . . 156 GLN C . 15112 1 1680 . 1 1 137 137 GLN CA C 13 52.599 0.110 . 1 . . . . 156 GLN CA . 15112 1 1681 . 1 1 137 137 GLN CB C 13 30.062 0.170 . 1 . . . . 156 GLN CB . 15112 1 1682 . 1 1 137 137 GLN CG C 13 32.624 0.170 . 1 . . . . 156 GLN CG . 15112 1 1683 . 1 1 137 137 GLN CD C 13 180.440 0.170 . 1 . . . . 156 GLN CD . 15112 1 1684 . 1 1 137 137 GLN N N 15 117.683 0.390 . 1 . . . . 156 GLN N . 15112 1 1685 . 1 1 137 137 GLN NE2 N 15 112.422 0.390 . 1 . . . . 156 GLN NE2 . 15112 1 1686 . 1 1 138 138 PRO HA H 1 4.602 0.070 . 1 . . . . 157 PRO HA . 15112 1 1687 . 1 1 138 138 PRO HB2 H 1 2.382 0.070 . 2 . . . . 157 PRO HB2 . 15112 1 1688 . 1 1 138 138 PRO HB3 H 1 2.121 0.070 . 2 . . . . 157 PRO HB3 . 15112 1 1689 . 1 1 138 138 PRO HG2 H 1 1.990 0.070 . 2 . . . . 157 PRO HG2 . 15112 1 1690 . 1 1 138 138 PRO HG3 H 1 1.670 0.070 . 2 . . . . 157 PRO HG3 . 15112 1 1691 . 1 1 138 138 PRO HD2 H 1 3.507 0.070 . 2 . . . . 157 PRO HD2 . 15112 1 1692 . 1 1 138 138 PRO HD3 H 1 3.400 0.070 . 2 . . . . 157 PRO HD3 . 15112 1 1693 . 1 1 138 138 PRO C C 13 176.105 0.160 . 1 . . . . 157 PRO C . 15112 1 1694 . 1 1 138 138 PRO CA C 13 63.814 0.110 . 1 . . . . 157 PRO CA . 15112 1 1695 . 1 1 138 138 PRO CB C 13 33.677 0.170 . 1 . . . . 157 PRO CB . 15112 1 1696 . 1 1 138 138 PRO CG C 13 24.669 0.170 . 1 . . . . 157 PRO CG . 15112 1 1697 . 1 1 138 138 PRO CD C 13 49.547 0.170 . 1 . . . . 157 PRO CD . 15112 1 1698 . 1 1 138 138 PRO N N 15 133.900 0.390 . 1 . . . . 157 PRO N . 15112 1 1699 . 1 1 139 139 LYS H H 1 7.444 0.070 . 1 . . . . 158 LYS H . 15112 1 1700 . 1 1 139 139 LYS HA H 1 4.890 0.070 . 1 . . . . 158 LYS HA . 15112 1 1701 . 1 1 139 139 LYS HB2 H 1 1.628 0.070 . 2 . . . . 158 LYS HB2 . 15112 1 1702 . 1 1 139 139 LYS HB3 H 1 1.291 0.070 . 2 . . . . 158 LYS HB3 . 15112 1 1703 . 1 1 139 139 LYS HG2 H 1 1.305 0.070 . 1 . . . . 158 LYS HG2 . 15112 1 1704 . 1 1 139 139 LYS HG3 H 1 1.305 0.070 . 1 . . . . 158 LYS HG3 . 15112 1 1705 . 1 1 139 139 LYS HD2 H 1 1.627 0.070 . 1 . . . . 158 LYS HD2 . 15112 1 1706 . 1 1 139 139 LYS HD3 H 1 1.627 0.070 . 1 . . . . 158 LYS HD3 . 15112 1 1707 . 1 1 139 139 LYS HE2 H 1 3.339 0.070 . 1 . . . . 158 LYS HE2 . 15112 1 1708 . 1 1 139 139 LYS HE3 H 1 3.339 0.070 . 1 . . . . 158 LYS HE3 . 15112 1 1709 . 1 1 139 139 LYS C C 13 172.995 0.160 . 1 . . . . 158 LYS C . 15112 1 1710 . 1 1 139 139 LYS CA C 13 52.060 0.110 . 1 . . . . 158 LYS CA . 15112 1 1711 . 1 1 139 139 LYS CB C 13 34.376 0.170 . 1 . . . . 158 LYS CB . 15112 1 1712 . 1 1 139 139 LYS CG C 13 24.973 0.170 . 1 . . . . 158 LYS CG . 15112 1 1713 . 1 1 139 139 LYS CD C 13 29.026 0.170 . 1 . . . . 158 LYS CD . 15112 1 1714 . 1 1 139 139 LYS CE C 13 41.947 0.170 . 1 . . . . 158 LYS CE . 15112 1 1715 . 1 1 139 139 LYS N N 15 121.205 0.390 . 1 . . . . 158 LYS N . 15112 1 1716 . 1 1 140 140 PRO HA H 1 4.402 0.070 . 1 . . . . 159 PRO HA . 15112 1 1717 . 1 1 140 140 PRO HB2 H 1 2.346 0.070 . 2 . . . . 159 PRO HB2 . 15112 1 1718 . 1 1 140 140 PRO HB3 H 1 1.681 0.070 . 2 . . . . 159 PRO HB3 . 15112 1 1719 . 1 1 140 140 PRO HG2 H 1 2.052 0.070 . 2 . . . . 159 PRO HG2 . 15112 1 1720 . 1 1 140 140 PRO HG3 H 1 2.021 0.070 . 2 . . . . 159 PRO HG3 . 15112 1 1721 . 1 1 140 140 PRO HD2 H 1 3.856 0.070 . 2 . . . . 159 PRO HD2 . 15112 1 1722 . 1 1 140 140 PRO HD3 H 1 3.517 0.070 . 2 . . . . 159 PRO HD3 . 15112 1 1723 . 1 1 140 140 PRO C C 13 178.145 0.160 . 1 . . . . 159 PRO C . 15112 1 1724 . 1 1 140 140 PRO CA C 13 63.088 0.110 . 1 . . . . 159 PRO CA . 15112 1 1725 . 1 1 140 140 PRO CB C 13 32.412 0.170 . 1 . . . . 159 PRO CB . 15112 1 1726 . 1 1 140 140 PRO CG C 13 27.270 0.170 . 1 . . . . 159 PRO CG . 15112 1 1727 . 1 1 140 140 PRO CD C 13 50.556 0.170 . 1 . . . . 159 PRO CD . 15112 1 1728 . 1 1 140 140 PRO N N 15 134.944 0.390 . 1 . . . . 159 PRO N . 15112 1 1729 . 1 1 141 141 LEU H H 1 10.223 0.070 . 1 . . . . 160 LEU H . 15112 1 1730 . 1 1 141 141 LEU HA H 1 2.771 0.070 . 1 . . . . 160 LEU HA . 15112 1 1731 . 1 1 141 141 LEU HB2 H 1 1.763 0.070 . 2 . . . . 160 LEU HB2 . 15112 1 1732 . 1 1 141 141 LEU HB3 H 1 0.727 0.070 . 2 . . . . 160 LEU HB3 . 15112 1 1733 . 1 1 141 141 LEU HG H 1 1.222 0.070 . 1 . . . . 160 LEU HG . 15112 1 1734 . 1 1 141 141 LEU HD11 H 1 0.563 0.070 . 2 . . . . 160 LEU HD1 . 15112 1 1735 . 1 1 141 141 LEU HD12 H 1 0.563 0.070 . 2 . . . . 160 LEU HD1 . 15112 1 1736 . 1 1 141 141 LEU HD13 H 1 0.563 0.070 . 2 . . . . 160 LEU HD1 . 15112 1 1737 . 1 1 141 141 LEU HD21 H 1 0.187 0.070 . 2 . . . . 160 LEU HD2 . 15112 1 1738 . 1 1 141 141 LEU HD22 H 1 0.187 0.070 . 2 . . . . 160 LEU HD2 . 15112 1 1739 . 1 1 141 141 LEU HD23 H 1 0.187 0.070 . 2 . . . . 160 LEU HD2 . 15112 1 1740 . 1 1 141 141 LEU C C 13 177.141 0.160 . 1 . . . . 160 LEU C . 15112 1 1741 . 1 1 141 141 LEU CA C 13 54.704 0.110 . 1 . . . . 160 LEU CA . 15112 1 1742 . 1 1 141 141 LEU CB C 13 37.797 0.170 . 1 . . . . 160 LEU CB . 15112 1 1743 . 1 1 141 141 LEU CG C 13 25.637 0.170 . 1 . . . . 160 LEU CG . 15112 1 1744 . 1 1 141 141 LEU CD1 C 13 25.068 0.170 . 2 . . . . 160 LEU CD1 . 15112 1 1745 . 1 1 141 141 LEU CD2 C 13 23.182 0.170 . 2 . . . . 160 LEU CD2 . 15112 1 1746 . 1 1 141 141 LEU N N 15 118.447 0.390 . 1 . . . . 160 LEU N . 15112 1 1747 . 1 1 142 142 GLY H H 1 8.163 0.070 . 1 . . . . 161 GLY H . 15112 1 1748 . 1 1 142 142 GLY HA2 H 1 4.755 0.070 . 2 . . . . 161 GLY HA2 . 15112 1 1749 . 1 1 142 142 GLY HA3 H 1 4.595 0.070 . 2 . . . . 161 GLY HA3 . 15112 1 1750 . 1 1 142 142 GLY C C 13 175.186 0.160 . 1 . . . . 161 GLY C . 15112 1 1751 . 1 1 142 142 GLY CA C 13 45.572 0.110 . 1 . . . . 161 GLY CA . 15112 1 1752 . 1 1 142 142 GLY N N 15 109.428 0.390 . 1 . . . . 161 GLY N . 15112 1 1753 . 1 1 143 143 GLY H H 1 7.604 0.070 . 1 . . . . 162 GLY H . 15112 1 1754 . 1 1 143 143 GLY HA2 H 1 3.884 0.070 . 2 . . . . 162 GLY HA2 . 15112 1 1755 . 1 1 143 143 GLY HA3 H 1 3.509 0.070 . 2 . . . . 162 GLY HA3 . 15112 1 1756 . 1 1 143 143 GLY C C 13 175.032 0.160 . 1 . . . . 162 GLY C . 15112 1 1757 . 1 1 143 143 GLY CA C 13 45.824 0.110 . 1 . . . . 162 GLY CA . 15112 1 1758 . 1 1 143 143 GLY N N 15 105.209 0.390 . 1 . . . . 162 GLY N . 15112 1 1759 . 1 1 144 144 GLY H H 1 7.063 0.070 . 1 . . . . 163 GLY H . 15112 1 1760 . 1 1 144 144 GLY HA2 H 1 3.984 0.070 . 2 . . . . 163 GLY HA2 . 15112 1 1761 . 1 1 144 144 GLY HA3 H 1 3.466 0.070 . 2 . . . . 163 GLY HA3 . 15112 1 1762 . 1 1 144 144 GLY C C 13 175.470 0.160 . 1 . . . . 163 GLY C . 15112 1 1763 . 1 1 144 144 GLY CA C 13 47.188 0.110 . 1 . . . . 163 GLY CA . 15112 1 1764 . 1 1 144 144 GLY N N 15 108.672 0.390 . 1 . . . . 163 GLY N . 15112 1 1765 . 1 1 145 145 GLY H H 1 8.427 0.070 . 1 . . . . 164 GLY H . 15112 1 1766 . 1 1 145 145 GLY HA2 H 1 4.039 0.070 . 2 . . . . 164 GLY HA2 . 15112 1 1767 . 1 1 145 145 GLY HA3 H 1 3.679 0.070 . 2 . . . . 164 GLY HA3 . 15112 1 1768 . 1 1 145 145 GLY C C 13 177.132 0.160 . 1 . . . . 164 GLY C . 15112 1 1769 . 1 1 145 145 GLY CA C 13 45.674 0.110 . 1 . . . . 164 GLY CA . 15112 1 1770 . 1 1 145 145 GLY N N 15 107.398 0.390 . 1 . . . . 164 GLY N . 15112 1 1771 . 1 1 146 146 THR H H 1 8.887 0.070 . 1 . . . . 165 THR H . 15112 1 1772 . 1 1 146 146 THR HA H 1 3.929 0.070 . 1 . . . . 165 THR HA . 15112 1 1773 . 1 1 146 146 THR HB H 1 4.097 0.070 . 1 . . . . 165 THR HB . 15112 1 1774 . 1 1 146 146 THR HG21 H 1 1.305 0.070 . 1 . . . . 165 THR HG2 . 15112 1 1775 . 1 1 146 146 THR HG22 H 1 1.305 0.070 . 1 . . . . 165 THR HG2 . 15112 1 1776 . 1 1 146 146 THR HG23 H 1 1.305 0.070 . 1 . . . . 165 THR HG2 . 15112 1 1777 . 1 1 146 146 THR C C 13 172.923 0.160 . 1 . . . . 165 THR C . 15112 1 1778 . 1 1 146 146 THR CA C 13 64.287 0.110 . 1 . . . . 165 THR CA . 15112 1 1779 . 1 1 146 146 THR CB C 13 69.806 0.170 . 1 . . . . 165 THR CB . 15112 1 1780 . 1 1 146 146 THR CG2 C 13 22.257 0.170 . 1 . . . . 165 THR CG2 . 15112 1 1781 . 1 1 146 146 THR N N 15 123.941 0.390 . 1 . . . . 165 THR N . 15112 1 1782 . 1 1 147 147 ARG H H 1 8.854 0.070 . 1 . . . . 166 ARG H . 15112 1 1783 . 1 1 147 147 ARG HA H 1 3.406 0.070 . 1 . . . . 166 ARG HA . 15112 1 1784 . 1 1 147 147 ARG HB2 H 1 1.637 0.070 . 2 . . . . 166 ARG HB2 . 15112 1 1785 . 1 1 147 147 ARG HB3 H 1 1.463 0.070 . 2 . . . . 166 ARG HB3 . 15112 1 1786 . 1 1 147 147 ARG HG2 H 1 0.939 0.070 . 1 . . . . 166 ARG HG2 . 15112 1 1787 . 1 1 147 147 ARG HG3 H 1 0.939 0.070 . 1 . . . . 166 ARG HG3 . 15112 1 1788 . 1 1 147 147 ARG HD2 H 1 3.233 0.070 . 1 . . . . 166 ARG HD2 . 15112 1 1789 . 1 1 147 147 ARG HD3 H 1 3.233 0.070 . 1 . . . . 166 ARG HD3 . 15112 1 1790 . 1 1 147 147 ARG HE H 1 7.295 0.070 . 1 . . . . 166 ARG HE . 15112 1 1791 . 1 1 147 147 ARG HH11 H 1 9.114 0.070 . 2 . . . . 166 ARG HH11 . 15112 1 1792 . 1 1 147 147 ARG HH12 H 1 6.766 0.070 . 2 . . . . 166 ARG HH12 . 15112 1 1793 . 1 1 147 147 ARG C C 13 172.400 0.160 . 1 . . . . 166 ARG C . 15112 1 1794 . 1 1 147 147 ARG CA C 13 57.691 0.110 . 1 . . . . 166 ARG CA . 15112 1 1795 . 1 1 147 147 ARG CB C 13 28.732 0.170 . 1 . . . . 166 ARG CB . 15112 1 1796 . 1 1 147 147 ARG CG C 13 29.740 0.170 . 1 . . . . 166 ARG CG . 15112 1 1797 . 1 1 147 147 ARG CD C 13 42.779 0.170 . 1 . . . . 166 ARG CD . 15112 1 1798 . 1 1 147 147 ARG N N 15 128.623 0.390 . 1 . . . . 166 ARG N . 15112 1 1799 . 1 1 147 147 ARG NE N 15 89.093 0.390 . 1 . . . . 166 ARG NE . 15112 1 1800 . 1 1 147 147 ARG NH1 N 15 75.691 0.390 . 2 . . . . 166 ARG NH1 . 15112 1 1801 . 1 1 148 148 TYR H H 1 9.076 0.070 . 1 . . . . 167 TYR H . 15112 1 1802 . 1 1 148 148 TYR HA H 1 4.318 0.070 . 1 . . . . 167 TYR HA . 15112 1 1803 . 1 1 148 148 TYR HB2 H 1 2.752 0.070 . 2 . . . . 167 TYR HB2 . 15112 1 1804 . 1 1 148 148 TYR HB3 H 1 2.338 0.070 . 2 . . . . 167 TYR HB3 . 15112 1 1805 . 1 1 148 148 TYR HD1 H 1 6.708 0.070 . 1 . . . . 167 TYR HD1 . 15112 1 1806 . 1 1 148 148 TYR HD2 H 1 6.708 0.070 . 1 . . . . 167 TYR HD2 . 15112 1 1807 . 1 1 148 148 TYR HE1 H 1 6.728 0.070 . 1 . . . . 167 TYR HE1 . 15112 1 1808 . 1 1 148 148 TYR HE2 H 1 6.728 0.070 . 1 . . . . 167 TYR HE2 . 15112 1 1809 . 1 1 148 148 TYR C C 13 175.124 0.160 . 1 . . . . 167 TYR C . 15112 1 1810 . 1 1 148 148 TYR CA C 13 59.479 0.110 . 1 . . . . 167 TYR CA . 15112 1 1811 . 1 1 148 148 TYR CB C 13 42.153 0.170 . 1 . . . . 167 TYR CB . 15112 1 1812 . 1 1 148 148 TYR CG C 13 128.834 0.170 . 1 . . . . 167 TYR CG . 15112 1 1813 . 1 1 148 148 TYR CD1 C 13 132.222 0.170 . 1 . . . . 167 TYR CD1 . 15112 1 1814 . 1 1 148 148 TYR CD2 C 13 132.222 0.170 . 1 . . . . 167 TYR CD2 . 15112 1 1815 . 1 1 148 148 TYR CE1 C 13 117.720 0.170 . 1 . . . . 167 TYR CE1 . 15112 1 1816 . 1 1 148 148 TYR CE2 C 13 117.720 0.170 . 1 . . . . 167 TYR CE2 . 15112 1 1817 . 1 1 148 148 TYR CZ C 13 157.725 0.170 . 1 . . . . 167 TYR CZ . 15112 1 1818 . 1 1 148 148 TYR N N 15 126.380 0.390 . 1 . . . . 167 TYR N . 15112 1 1819 . 1 1 149 149 ALA H H 1 8.138 0.070 . 1 . . . . 168 ALA H . 15112 1 1820 . 1 1 149 149 ALA HA H 1 5.120 0.070 . 1 . . . . 168 ALA HA . 15112 1 1821 . 1 1 149 149 ALA HB1 H 1 1.060 0.070 . 1 . . . . 168 ALA HB . 15112 1 1822 . 1 1 149 149 ALA HB2 H 1 1.060 0.070 . 1 . . . . 168 ALA HB . 15112 1 1823 . 1 1 149 149 ALA HB3 H 1 1.060 0.070 . 1 . . . . 168 ALA HB . 15112 1 1824 . 1 1 149 149 ALA C C 13 174.612 0.160 . 1 . . . . 168 ALA C . 15112 1 1825 . 1 1 149 149 ALA CA C 13 50.800 0.110 . 1 . . . . 168 ALA CA . 15112 1 1826 . 1 1 149 149 ALA CB C 13 23.186 0.170 . 1 . . . . 168 ALA CB . 15112 1 1827 . 1 1 149 149 ALA N N 15 118.245 0.390 . 1 . . . . 168 ALA N . 15112 1 1828 . 1 1 150 150 CYS H H 1 9.198 0.070 . 1 . . . . 169 CYS H . 15112 1 1829 . 1 1 150 150 CYS HA H 1 5.793 0.070 . 1 . . . . 169 CYS HA . 15112 1 1830 . 1 1 150 150 CYS HB2 H 1 3.147 0.070 . 2 . . . . 169 CYS HB2 . 15112 1 1831 . 1 1 150 150 CYS HB3 H 1 2.492 0.070 . 2 . . . . 169 CYS HB3 . 15112 1 1832 . 1 1 150 150 CYS C C 13 172.645 0.160 . 1 . . . . 169 CYS C . 15112 1 1833 . 1 1 150 150 CYS CA C 13 55.315 0.110 . 1 . . . . 169 CYS CA . 15112 1 1834 . 1 1 150 150 CYS CB C 13 44.671 0.170 . 1 . . . . 169 CYS CB . 15112 1 1835 . 1 1 150 150 CYS N N 15 121.442 0.390 . 1 . . . . 169 CYS N . 15112 1 1836 . 1 1 151 151 GLY H H 1 9.091 0.070 . 1 . . . . 170 GLY H . 15112 1 1837 . 1 1 151 151 GLY HA2 H 1 4.644 0.070 . 2 . . . . 170 GLY HA2 . 15112 1 1838 . 1 1 151 151 GLY HA3 H 1 4.365 0.070 . 2 . . . . 170 GLY HA3 . 15112 1 1839 . 1 1 151 151 GLY C C 13 171.371 0.160 . 1 . . . . 170 GLY C . 15112 1 1840 . 1 1 151 151 GLY CA C 13 46.736 0.110 . 1 . . . . 170 GLY CA . 15112 1 1841 . 1 1 151 151 GLY N N 15 122.577 0.390 . 1 . . . . 170 GLY N . 15112 1 1842 . 1 1 152 152 VAL H H 1 8.812 0.070 . 1 . . . . 171 VAL H . 15112 1 1843 . 1 1 152 152 VAL HA H 1 4.205 0.070 . 1 . . . . 171 VAL HA . 15112 1 1844 . 1 1 152 152 VAL HB H 1 1.854 0.070 . 1 . . . . 171 VAL HB . 15112 1 1845 . 1 1 152 152 VAL HG11 H 1 0.703 0.070 . 2 . . . . 171 VAL HG1 . 15112 1 1846 . 1 1 152 152 VAL HG12 H 1 0.703 0.070 . 2 . . . . 171 VAL HG1 . 15112 1 1847 . 1 1 152 152 VAL HG13 H 1 0.703 0.070 . 2 . . . . 171 VAL HG1 . 15112 1 1848 . 1 1 152 152 VAL HG21 H 1 0.615 0.070 . 2 . . . . 171 VAL HG2 . 15112 1 1849 . 1 1 152 152 VAL HG22 H 1 0.615 0.070 . 2 . . . . 171 VAL HG2 . 15112 1 1850 . 1 1 152 152 VAL HG23 H 1 0.615 0.070 . 2 . . . . 171 VAL HG2 . 15112 1 1851 . 1 1 152 152 VAL C C 13 174.857 0.160 . 1 . . . . 171 VAL C . 15112 1 1852 . 1 1 152 152 VAL CA C 13 62.870 0.110 . 1 . . . . 171 VAL CA . 15112 1 1853 . 1 1 152 152 VAL CB C 13 32.786 0.170 . 1 . . . . 171 VAL CB . 15112 1 1854 . 1 1 152 152 VAL CG1 C 13 21.979 0.170 . 2 . . . . 171 VAL CG1 . 15112 1 1855 . 1 1 152 152 VAL CG2 C 13 21.316 0.170 . 2 . . . . 171 VAL CG2 . 15112 1 1856 . 1 1 152 152 VAL N N 15 123.376 0.390 . 1 . . . . 171 VAL N . 15112 1 1857 . 1 1 153 153 ILE H H 1 8.859 0.070 . 1 . . . . 172 ILE H . 15112 1 1858 . 1 1 153 153 ILE HA H 1 3.778 0.070 . 1 . . . . 172 ILE HA . 15112 1 1859 . 1 1 153 153 ILE HB H 1 2.284 0.070 . 1 . . . . 172 ILE HB . 15112 1 1860 . 1 1 153 153 ILE HG12 H 1 1.800 0.070 . 2 . . . . 172 ILE HG12 . 15112 1 1861 . 1 1 153 153 ILE HG13 H 1 0.789 0.070 . 2 . . . . 172 ILE HG13 . 15112 1 1862 . 1 1 153 153 ILE HG21 H 1 0.695 0.070 . 1 . . . . 172 ILE HG2 . 15112 1 1863 . 1 1 153 153 ILE HG22 H 1 0.695 0.070 . 1 . . . . 172 ILE HG2 . 15112 1 1864 . 1 1 153 153 ILE HG23 H 1 0.695 0.070 . 1 . . . . 172 ILE HG2 . 15112 1 1865 . 1 1 153 153 ILE HD11 H 1 0.845 0.070 . 1 . . . . 172 ILE HD1 . 15112 1 1866 . 1 1 153 153 ILE HD12 H 1 0.845 0.070 . 1 . . . . 172 ILE HD1 . 15112 1 1867 . 1 1 153 153 ILE HD13 H 1 0.845 0.070 . 1 . . . . 172 ILE HD1 . 15112 1 1868 . 1 1 153 153 ILE C C 13 175.318 0.160 . 1 . . . . 172 ILE C . 15112 1 1869 . 1 1 153 153 ILE CA C 13 61.968 0.110 . 1 . . . . 172 ILE CA . 15112 1 1870 . 1 1 153 153 ILE CB C 13 37.578 0.170 . 1 . . . . 172 ILE CB . 15112 1 1871 . 1 1 153 153 ILE CG1 C 13 27.441 0.170 . 1 . . . . 172 ILE CG1 . 15112 1 1872 . 1 1 153 153 ILE CG2 C 13 18.295 0.170 . 1 . . . . 172 ILE CG2 . 15112 1 1873 . 1 1 153 153 ILE CD1 C 13 14.111 0.170 . 1 . . . . 172 ILE CD1 . 15112 1 1874 . 1 1 153 153 ILE N N 15 131.096 0.390 . 1 . . . . 172 ILE N . 15112 1 1875 . 1 1 154 154 LYS H H 1 8.214 0.070 . 1 . . . . 173 LYS H . 15112 1 1876 . 1 1 154 154 LYS HA H 1 4.266 0.070 . 1 . . . . 173 LYS HA . 15112 1 1877 . 1 1 154 154 LYS HB2 H 1 1.858 0.070 . 2 . . . . 173 LYS HB2 . 15112 1 1878 . 1 1 154 154 LYS HB3 H 1 1.726 0.070 . 2 . . . . 173 LYS HB3 . 15112 1 1879 . 1 1 154 154 LYS HG2 H 1 1.468 0.070 . 2 . . . . 173 LYS HG2 . 15112 1 1880 . 1 1 154 154 LYS HG3 H 1 1.433 0.070 . 2 . . . . 173 LYS HG3 . 15112 1 1881 . 1 1 154 154 LYS HD2 H 1 1.672 0.070 . 1 . . . . 173 LYS HD2 . 15112 1 1882 . 1 1 154 154 LYS HD3 H 1 1.672 0.070 . 1 . . . . 173 LYS HD3 . 15112 1 1883 . 1 1 154 154 LYS HE2 H 1 2.997 0.070 . 2 . . . . 173 LYS HE2 . 15112 1 1884 . 1 1 154 154 LYS HE3 H 1 2.919 0.070 . 2 . . . . 173 LYS HE3 . 15112 1 1885 . 1 1 154 154 LYS C C 13 181.692 0.160 . 1 . . . . 173 LYS C . 15112 1 1886 . 1 1 154 154 LYS CA C 13 57.114 0.110 . 1 . . . . 173 LYS CA . 15112 1 1887 . 1 1 154 154 LYS CB C 13 33.109 0.170 . 1 . . . . 173 LYS CB . 15112 1 1888 . 1 1 154 154 LYS CG C 13 24.660 0.170 . 1 . . . . 173 LYS CG . 15112 1 1889 . 1 1 154 154 LYS CD C 13 28.512 0.170 . 1 . . . . 173 LYS CD . 15112 1 1890 . 1 1 154 154 LYS CE C 13 41.999 0.170 . 1 . . . . 173 LYS CE . 15112 1 1891 . 1 1 154 154 LYS N N 15 133.238 0.390 . 1 . . . . 173 LYS N . 15112 1 stop_ save_