data_11062 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11062 _Entry.Title ; Solution structure of mouse lipocalin-type prostaglandin D synthase possessing a intrinsic disulfide bond. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-24 _Entry.Accession_date 2008-12-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yuya Miyamoto . . . 11062 2 Shigenori Nishimura . . . 11062 3 Takashi Inui . . . 11062 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11062 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 465 11062 '15N chemical shifts' 165 11062 '1H chemical shifts' 841 11062 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-02-04 2008-12-24 update BMRB 'complete entry citation' 11062 1 . . 2010-01-11 2008-12-24 original author 'original release' 11062 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RQ0 'BMRB Entry Tracking System' 11062 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11062 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19833210 _Citation.Full_citation . _Citation.Title ; Structural analysis of lipocalin-type prostaglandin D synthase complexed with biliverdin by small-angle X-ray scattering and multi-dimensional NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 169 _Citation.Journal_issue 2 _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 209 _Citation.Page_last 218 _Citation.Year 2010 _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 Yuya Miyamoto . . . 11062 1 2 Shigenori Nishimura . . . 11062 1 3 Katsuaki Inoue . . . 11062 1 4 Shigeru Shimamoto . . . 11062 1 5 Takuya Yoshida . . . 11062 1 6 Ayano Fukuhara . . . 11062 1 7 Mao Yamada . . . 11062 1 8 Yoshihiro Urade . . . 11062 1 9 Naoto Yagi . . . 11062 1 10 Tadayasu Ohkubo . . . 11062 1 11 Takashi Inui . . . 11062 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational change' 11062 1 'molecular modeling' 11062 1 NMR 11062 1 SAXS 11062 1 'structural flexibility' 11062 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11062 _Assembly.ID 1 _Assembly.Name 'lipocalin-type prostaglandin D synthase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18500 _Assembly.Enzyme_commission_number 5.3.99.2 _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 'lipocalin-type prostaglandin D synthase' 1 $entity_1 A . yes native no no . . . 11062 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 disulfide single . 1 'lipocalin-type prostaglandin D synthase' 1 CYS 67 67 SG . 1 'lipocalin-type prostaglandin D synthase' 1 CYS 164 164 SG . . 67 CYS SG . . 164 SYS SG 11062 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 CYS 67 67 HG . 67 CYS HG 11062 1 . . 1 1 CYS 164 164 HG . 164 CYS HG 11062 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11062 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'lipocalin-type prostaglandin D synthase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQGHDTVQPNFQQDKFLGR WYSAGLASNSSWFREKKAVL YMAKTVVAPSTEGGLNLTST FLRKNQCETKIMVLQPAGAP GHYTYSSPHSGSIHSVSVVE ANYDEYALLFSRGTKGPGQD FRMATLYSRTQTLKDELKEK FTTFSKAQGLTEEDIVFLPQ PDKCIQE ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C65A _Entity.EC_number 5.3.99.2 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 BMRB 10137 . L-PGDS . . . . . 100.00 167 99.40 99.40 5.53e-120 . . . . 11062 1 2 no BMRB 18473 . lipocalin-type_prostaglandin_D_synthase . . . . . 100.00 167 98.20 98.20 2.00e-117 . . . . 11062 1 3 no PDB 2CZT . "Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 100.00 100.00 9.21e-121 . . . . 11062 1 4 no PDB 2CZU . "Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 100.00 100.00 9.21e-121 . . . . 11062 1 5 no PDB 2E4J . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase" . . . . . 100.00 167 98.20 98.20 2.00e-117 . . . . 11062 1 6 no PDB 2KTD . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Substrate Analog (U-46619) Complex" . . . . . 100.00 167 98.20 98.20 2.00e-117 . . . . 11062 1 7 no PDB 2RQ0 . "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Possessing The Intrinsic Disulfide Bond" . . . . . 100.00 167 100.00 100.00 9.21e-121 . . . . 11062 1 8 no DBJ BAA74461 . "prostaglandin D2 synthase [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 9 no DBJ BAE20833 . "unnamed protein product [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 10 no EMBL CAA61506 . "prostaglandin D synthetase [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 11 no EMBL CAA71226 . "prostaglandin D synthase [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 12 no GB AAH38083 . "Ptgds protein [Mus musculus]" . . . . . 75.45 126 99.21 99.21 1.92e-86 . . . . 11062 1 13 no GB AAH43015 . "Prostaglandin D2 synthase (brain) [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 14 no GB EDL08248 . "prostaglandin D2 synthase (brain), isoform CRA_a, partial [Mus musculus]" . . . . . 99.40 214 98.80 99.40 1.31e-117 . . . . 11062 1 15 no GB EDL08250 . "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 16 no GB EDL08251 . "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 17 no REF NP_032989 . "prostaglandin-H2 D-isomerase precursor [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 18 no REF XP_006497849 . "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 19 no REF XP_006497850 . "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 1 20 no SP O09114 . "RecName: Full=Prostaglandin-H2 D-isomerase; AltName: Full=Glutathione-independent PGD synthase; AltName: Full=Lipocalin-type pr" . . . . . 99.40 189 98.80 99.40 4.36e-118 . . . . 11062 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 23 GLY . 11062 1 2 24 SER . 11062 1 3 25 GLN . 11062 1 4 26 GLY . 11062 1 5 27 HIS . 11062 1 6 28 ASP . 11062 1 7 29 THR . 11062 1 8 30 VAL . 11062 1 9 31 GLN . 11062 1 10 32 PRO . 11062 1 11 33 ASN . 11062 1 12 34 PHE . 11062 1 13 35 GLN . 11062 1 14 36 GLN . 11062 1 15 37 ASP . 11062 1 16 38 LYS . 11062 1 17 39 PHE . 11062 1 18 40 LEU . 11062 1 19 41 GLY . 11062 1 20 42 ARG . 11062 1 21 43 TRP . 11062 1 22 44 TYR . 11062 1 23 45 SER . 11062 1 24 46 ALA . 11062 1 25 47 GLY . 11062 1 26 48 LEU . 11062 1 27 49 ALA . 11062 1 28 50 SER . 11062 1 29 51 ASN . 11062 1 30 52 SER . 11062 1 31 53 SER . 11062 1 32 54 TRP . 11062 1 33 55 PHE . 11062 1 34 56 ARG . 11062 1 35 57 GLU . 11062 1 36 58 LYS . 11062 1 37 59 LYS . 11062 1 38 60 ALA . 11062 1 39 61 VAL . 11062 1 40 62 LEU . 11062 1 41 63 TYR . 11062 1 42 64 MET . 11062 1 43 65 ALA . 11062 1 44 66 LYS . 11062 1 45 67 THR . 11062 1 46 68 VAL . 11062 1 47 69 VAL . 11062 1 48 70 ALA . 11062 1 49 71 PRO . 11062 1 50 72 SER . 11062 1 51 73 THR . 11062 1 52 74 GLU . 11062 1 53 75 GLY . 11062 1 54 76 GLY . 11062 1 55 77 LEU . 11062 1 56 78 ASN . 11062 1 57 79 LEU . 11062 1 58 80 THR . 11062 1 59 81 SER . 11062 1 60 82 THR . 11062 1 61 83 PHE . 11062 1 62 84 LEU . 11062 1 63 85 ARG . 11062 1 64 86 LYS . 11062 1 65 87 ASN . 11062 1 66 88 GLN . 11062 1 67 89 CYS . 11062 1 68 90 GLU . 11062 1 69 91 THR . 11062 1 70 92 LYS . 11062 1 71 93 ILE . 11062 1 72 94 MET . 11062 1 73 95 VAL . 11062 1 74 96 LEU . 11062 1 75 97 GLN . 11062 1 76 98 PRO . 11062 1 77 99 ALA . 11062 1 78 100 GLY . 11062 1 79 101 ALA . 11062 1 80 102 PRO . 11062 1 81 103 GLY . 11062 1 82 104 HIS . 11062 1 83 105 TYR . 11062 1 84 106 THR . 11062 1 85 107 TYR . 11062 1 86 108 SER . 11062 1 87 109 SER . 11062 1 88 110 PRO . 11062 1 89 111 HIS . 11062 1 90 112 SER . 11062 1 91 113 GLY . 11062 1 92 114 SER . 11062 1 93 115 ILE . 11062 1 94 116 HIS . 11062 1 95 117 SER . 11062 1 96 118 VAL . 11062 1 97 119 SER . 11062 1 98 120 VAL . 11062 1 99 121 VAL . 11062 1 100 122 GLU . 11062 1 101 123 ALA . 11062 1 102 124 ASN . 11062 1 103 125 TYR . 11062 1 104 126 ASP . 11062 1 105 127 GLU . 11062 1 106 128 TYR . 11062 1 107 129 ALA . 11062 1 108 130 LEU . 11062 1 109 131 LEU . 11062 1 110 132 PHE . 11062 1 111 133 SER . 11062 1 112 134 ARG . 11062 1 113 135 GLY . 11062 1 114 136 THR . 11062 1 115 137 LYS . 11062 1 116 138 GLY . 11062 1 117 139 PRO . 11062 1 118 140 GLY . 11062 1 119 141 GLN . 11062 1 120 142 ASP . 11062 1 121 143 PHE . 11062 1 122 144 ARG . 11062 1 123 145 MET . 11062 1 124 146 ALA . 11062 1 125 147 THR . 11062 1 126 148 LEU . 11062 1 127 149 TYR . 11062 1 128 150 SER . 11062 1 129 151 ARG . 11062 1 130 152 THR . 11062 1 131 153 GLN . 11062 1 132 154 THR . 11062 1 133 155 LEU . 11062 1 134 156 LYS . 11062 1 135 157 ASP . 11062 1 136 158 GLU . 11062 1 137 159 LEU . 11062 1 138 160 LYS . 11062 1 139 161 GLU . 11062 1 140 162 LYS . 11062 1 141 163 PHE . 11062 1 142 164 THR . 11062 1 143 165 THR . 11062 1 144 166 PHE . 11062 1 145 167 SER . 11062 1 146 168 LYS . 11062 1 147 169 ALA . 11062 1 148 170 GLN . 11062 1 149 171 GLY . 11062 1 150 172 LEU . 11062 1 151 173 THR . 11062 1 152 174 GLU . 11062 1 153 175 GLU . 11062 1 154 176 ASP . 11062 1 155 177 ILE . 11062 1 156 178 VAL . 11062 1 157 179 PHE . 11062 1 158 180 LEU . 11062 1 159 181 PRO . 11062 1 160 182 GLN . 11062 1 161 183 PRO . 11062 1 162 184 ASP . 11062 1 163 185 LYS . 11062 1 164 186 CYS . 11062 1 165 187 ILE . 11062 1 166 188 GLN . 11062 1 167 189 GLU . 11062 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11062 1 . SER 2 2 11062 1 . GLN 3 3 11062 1 . GLY 4 4 11062 1 . HIS 5 5 11062 1 . ASP 6 6 11062 1 . THR 7 7 11062 1 . VAL 8 8 11062 1 . GLN 9 9 11062 1 . PRO 10 10 11062 1 . ASN 11 11 11062 1 . PHE 12 12 11062 1 . GLN 13 13 11062 1 . GLN 14 14 11062 1 . ASP 15 15 11062 1 . LYS 16 16 11062 1 . PHE 17 17 11062 1 . LEU 18 18 11062 1 . GLY 19 19 11062 1 . ARG 20 20 11062 1 . TRP 21 21 11062 1 . TYR 22 22 11062 1 . SER 23 23 11062 1 . ALA 24 24 11062 1 . GLY 25 25 11062 1 . LEU 26 26 11062 1 . ALA 27 27 11062 1 . SER 28 28 11062 1 . ASN 29 29 11062 1 . SER 30 30 11062 1 . SER 31 31 11062 1 . TRP 32 32 11062 1 . PHE 33 33 11062 1 . ARG 34 34 11062 1 . GLU 35 35 11062 1 . LYS 36 36 11062 1 . LYS 37 37 11062 1 . ALA 38 38 11062 1 . VAL 39 39 11062 1 . LEU 40 40 11062 1 . TYR 41 41 11062 1 . MET 42 42 11062 1 . ALA 43 43 11062 1 . LYS 44 44 11062 1 . THR 45 45 11062 1 . VAL 46 46 11062 1 . VAL 47 47 11062 1 . ALA 48 48 11062 1 . PRO 49 49 11062 1 . SER 50 50 11062 1 . THR 51 51 11062 1 . GLU 52 52 11062 1 . GLY 53 53 11062 1 . GLY 54 54 11062 1 . LEU 55 55 11062 1 . ASN 56 56 11062 1 . LEU 57 57 11062 1 . THR 58 58 11062 1 . SER 59 59 11062 1 . THR 60 60 11062 1 . PHE 61 61 11062 1 . LEU 62 62 11062 1 . ARG 63 63 11062 1 . LYS 64 64 11062 1 . ASN 65 65 11062 1 . GLN 66 66 11062 1 . CYS 67 67 11062 1 . GLU 68 68 11062 1 . THR 69 69 11062 1 . LYS 70 70 11062 1 . ILE 71 71 11062 1 . MET 72 72 11062 1 . VAL 73 73 11062 1 . LEU 74 74 11062 1 . GLN 75 75 11062 1 . PRO 76 76 11062 1 . ALA 77 77 11062 1 . GLY 78 78 11062 1 . ALA 79 79 11062 1 . PRO 80 80 11062 1 . GLY 81 81 11062 1 . HIS 82 82 11062 1 . TYR 83 83 11062 1 . THR 84 84 11062 1 . TYR 85 85 11062 1 . SER 86 86 11062 1 . SER 87 87 11062 1 . PRO 88 88 11062 1 . HIS 89 89 11062 1 . SER 90 90 11062 1 . GLY 91 91 11062 1 . SER 92 92 11062 1 . ILE 93 93 11062 1 . HIS 94 94 11062 1 . SER 95 95 11062 1 . VAL 96 96 11062 1 . SER 97 97 11062 1 . VAL 98 98 11062 1 . VAL 99 99 11062 1 . GLU 100 100 11062 1 . ALA 101 101 11062 1 . ASN 102 102 11062 1 . TYR 103 103 11062 1 . ASP 104 104 11062 1 . GLU 105 105 11062 1 . TYR 106 106 11062 1 . ALA 107 107 11062 1 . LEU 108 108 11062 1 . LEU 109 109 11062 1 . PHE 110 110 11062 1 . SER 111 111 11062 1 . ARG 112 112 11062 1 . GLY 113 113 11062 1 . THR 114 114 11062 1 . LYS 115 115 11062 1 . GLY 116 116 11062 1 . PRO 117 117 11062 1 . GLY 118 118 11062 1 . GLN 119 119 11062 1 . ASP 120 120 11062 1 . PHE 121 121 11062 1 . ARG 122 122 11062 1 . MET 123 123 11062 1 . ALA 124 124 11062 1 . THR 125 125 11062 1 . LEU 126 126 11062 1 . TYR 127 127 11062 1 . SER 128 128 11062 1 . ARG 129 129 11062 1 . THR 130 130 11062 1 . GLN 131 131 11062 1 . THR 132 132 11062 1 . LEU 133 133 11062 1 . LYS 134 134 11062 1 . ASP 135 135 11062 1 . GLU 136 136 11062 1 . LEU 137 137 11062 1 . LYS 138 138 11062 1 . GLU 139 139 11062 1 . LYS 140 140 11062 1 . PHE 141 141 11062 1 . THR 142 142 11062 1 . THR 143 143 11062 1 . PHE 144 144 11062 1 . SER 145 145 11062 1 . LYS 146 146 11062 1 . ALA 147 147 11062 1 . GLN 148 148 11062 1 . GLY 149 149 11062 1 . LEU 150 150 11062 1 . THR 151 151 11062 1 . GLU 152 152 11062 1 . GLU 153 153 11062 1 . ASP 154 154 11062 1 . ILE 155 155 11062 1 . VAL 156 156 11062 1 . PHE 157 157 11062 1 . LEU 158 158 11062 1 . PRO 159 159 11062 1 . GLN 160 160 11062 1 . PRO 161 161 11062 1 . ASP 162 162 11062 1 . LYS 163 163 11062 1 . CYS 164 164 11062 1 . ILE 165 165 11062 1 . GLN 166 166 11062 1 . GLU 167 167 11062 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11062 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11062 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 11062 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 11062 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11062 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 'Prostaglandin-H2 D-isomerase' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 11062 1 2 'acetic acid' [U-2H] . . . . . . 20 . . mM . . . . 11062 1 3 H2O . . . . . . . 90 . . % . . . . 11062 1 4 D2O . . . . . . . 10 . . % . . . . 11062 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11062 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.9% 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 'Prostaglandin-H2 D-isomerase' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 11062 2 2 'acetic acid' [U-2H] . . . . . . 20 . . mM . . . . 11062 2 3 D2O . . . . . . . 99.9 . . % . . . . 11062 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 11062 _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 . M 11062 1 pH 4 . pH 11062 1 pressure 1 . atm 11062 1 temperature 298 . K 11062 1 stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 11062 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11062 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11062 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11062 _Software.ID 2 _Software.Name CNS _Software.Version 1.2. _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11062 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11062 2 'structure solution' 11062 2 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 11062 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11062 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 11062 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 11062 _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 . . . . . . . . . . . . . . . . 11062 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11062 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 11062 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11062 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11062 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11062 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 11062 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' 1 $sample_1 isotropic 11062 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11062 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11062 1 4 '3D HNCACB' 1 $sample_1 isotropic 11062 1 5 '3D HBHA(CO)NH' 1 $sample_1 isotropic 11062 1 6 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11062 1 8 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 11062 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.924 0.01 . 2 . . . . 23 GLY HA2 . 11062 1 2 . 1 1 1 1 GLY CA C 13 43.313 0.2 . 1 . . . . 23 GLY CA . 11062 1 3 . 1 1 2 2 SER H H 1 8.695 0.01 . 1 . . . . 24 SER H . 11062 1 4 . 1 1 2 2 SER HA H 1 4.531 0.01 . 1 . . . . 24 SER HA . 11062 1 5 . 1 1 2 2 SER HB2 H 1 3.877 0.01 . 2 . . . . 24 SER HB2 . 11062 1 6 . 1 1 2 2 SER CA C 13 58.296 0.2 . 1 . . . . 24 SER CA . 11062 1 7 . 1 1 2 2 SER CB C 13 63.897 0.2 . 1 . . . . 24 SER CB . 11062 1 8 . 1 1 2 2 SER N N 15 115.751 0.2 . 1 . . . . 24 SER N . 11062 1 9 . 1 1 3 3 GLN H H 1 8.618 0.01 . 1 . . . . 25 GLN H . 11062 1 10 . 1 1 3 3 GLN HA H 1 4.367 0.01 . 1 . . . . 25 GLN HA . 11062 1 11 . 1 1 3 3 GLN HB2 H 1 2.002 0.01 . 2 . . . . 25 GLN HB2 . 11062 1 12 . 1 1 3 3 GLN HB3 H 1 2.125 0.01 . 2 . . . . 25 GLN HB3 . 11062 1 13 . 1 1 3 3 GLN HG2 H 1 2.397 0.01 . 2 . . . . 25 GLN HG2 . 11062 1 14 . 1 1 3 3 GLN CA C 13 56.059 0.2 . 1 . . . . 25 GLN CA . 11062 1 15 . 1 1 3 3 GLN CB C 13 29.248 0.2 . 1 . . . . 25 GLN CB . 11062 1 16 . 1 1 3 3 GLN CG C 13 33.768 0.2 . 1 . . . . 25 GLN CG . 11062 1 17 . 1 1 3 3 GLN N N 15 122.346 0.2 . 1 . . . . 25 GLN N . 11062 1 18 . 1 1 4 4 GLY H H 1 8.431 0.01 . 1 . . . . 26 GLY H . 11062 1 19 . 1 1 4 4 GLY HA2 H 1 3.904 0.01 . 2 . . . . 26 GLY HA2 . 11062 1 20 . 1 1 4 4 GLY CA C 13 45.171 0.2 . 1 . . . . 26 GLY CA . 11062 1 21 . 1 1 4 4 GLY N N 15 109.885 0.2 . 1 . . . . 26 GLY N . 11062 1 22 . 1 1 5 5 HIS H H 1 8.342 0.01 . 1 . . . . 27 HIS H . 11062 1 23 . 1 1 5 5 HIS HA H 1 4.75 0.01 . 1 . . . . 27 HIS HA . 11062 1 24 . 1 1 5 5 HIS HB2 H 1 3.134 0.01 . 2 . . . . 27 HIS HB2 . 11062 1 25 . 1 1 5 5 HIS HB3 H 1 3.269 0.01 . 2 . . . . 27 HIS HB3 . 11062 1 26 . 1 1 5 5 HIS HD1 H 1 7.269 0.01 . 1 . . . . 27 HIS HD1 . 11062 1 27 . 1 1 5 5 HIS CA C 13 54.946 0.2 . 1 . . . . 27 HIS CA . 11062 1 28 . 1 1 5 5 HIS CB C 13 29.344 0.2 . 1 . . . . 27 HIS CB . 11062 1 29 . 1 1 5 5 HIS CD2 C 13 120.021 0.2 . 1 . . . . 27 HIS CD2 . 11062 1 30 . 1 1 5 5 HIS N N 15 117.765 0.2 . 1 . . . . 27 HIS N . 11062 1 31 . 1 1 6 6 ASP H H 1 8.518 0.01 . 1 . . . . 28 ASP H . 11062 1 32 . 1 1 6 6 ASP HA H 1 4.735 0.01 . 1 . . . . 28 ASP HA . 11062 1 33 . 1 1 6 6 ASP HB2 H 1 2.561 0.01 . 2 . . . . 28 ASP HB2 . 11062 1 34 . 1 1 6 6 ASP HB3 H 1 2.708 0.01 . 2 . . . . 28 ASP HB3 . 11062 1 35 . 1 1 6 6 ASP CA C 13 54.282 0.2 . 1 . . . . 28 ASP CA . 11062 1 36 . 1 1 6 6 ASP CB C 13 41.098 0.2 . 1 . . . . 28 ASP CB . 11062 1 37 . 1 1 6 6 ASP N N 15 121.91 0.2 . 1 . . . . 28 ASP N . 11062 1 38 . 1 1 7 7 THR H H 1 8.25 0.01 . 1 . . . . 29 THR H . 11062 1 39 . 1 1 7 7 THR HA H 1 4.343 0.01 . 1 . . . . 29 THR HA . 11062 1 40 . 1 1 7 7 THR HB H 1 4.173 0.01 . 1 . . . . 29 THR HB . 11062 1 41 . 1 1 7 7 THR HG21 H 1 1.204 0.01 . 1 . . . . 29 THR HG21 . 11062 1 42 . 1 1 7 7 THR HG22 H 1 1.204 0.01 . 1 . . . . 29 THR HG22 . 11062 1 43 . 1 1 7 7 THR HG23 H 1 1.204 0.01 . 1 . . . . 29 THR HG23 . 11062 1 44 . 1 1 7 7 THR CA C 13 62.124 0.2 . 1 . . . . 29 THR CA . 11062 1 45 . 1 1 7 7 THR CB C 13 69.861 0.2 . 1 . . . . 29 THR CB . 11062 1 46 . 1 1 7 7 THR CG2 C 13 21.672 0.2 . 1 . . . . 29 THR CG2 . 11062 1 47 . 1 1 7 7 THR N N 15 116.925 0.2 . 1 . . . . 29 THR N . 11062 1 48 . 1 1 8 8 VAL H H 1 7.798 0.01 . 1 . . . . 30 VAL H . 11062 1 49 . 1 1 8 8 VAL HA H 1 4.369 0.01 . 1 . . . . 30 VAL HA . 11062 1 50 . 1 1 8 8 VAL HB H 1 1.856 0.01 . 1 . . . . 30 VAL HB . 11062 1 51 . 1 1 8 8 VAL HG11 H 1 0.758 0.01 . 2 . . . . 30 VAL HG11 . 11062 1 52 . 1 1 8 8 VAL HG12 H 1 0.758 0.01 . 2 . . . . 30 VAL HG12 . 11062 1 53 . 1 1 8 8 VAL HG13 H 1 0.758 0.01 . 2 . . . . 30 VAL HG13 . 11062 1 54 . 1 1 8 8 VAL CA C 13 60.171 0.2 . 1 . . . . 30 VAL CA . 11062 1 55 . 1 1 8 8 VAL CB C 13 34.758 0.2 . 1 . . . . 30 VAL CB . 11062 1 56 . 1 1 8 8 VAL CG1 C 13 21.028 0.2 . 2 . . . . 30 VAL CG1 . 11062 1 57 . 1 1 8 8 VAL N N 15 119.837 0.2 . 1 . . . . 30 VAL N . 11062 1 58 . 1 1 9 9 GLN H H 1 8.472 0.01 . 1 . . . . 31 GLN H . 11062 1 59 . 1 1 9 9 GLN HA H 1 4.383 0.01 . 1 . . . . 31 GLN HA . 11062 1 60 . 1 1 9 9 GLN HB2 H 1 1.848 0.01 . 2 . . . . 31 GLN HB2 . 11062 1 61 . 1 1 9 9 GLN HE21 H 1 7.044 0.01 . 2 . . . . 31 GLN HE21 . 11062 1 62 . 1 1 9 9 GLN HE22 H 1 7.888 0.01 . 2 . . . . 31 GLN HE22 . 11062 1 63 . 1 1 9 9 GLN CA C 13 53.204 0.2 . 1 . . . . 31 GLN CA . 11062 1 64 . 1 1 9 9 GLN CB C 13 29.785 0.2 . 1 . . . . 31 GLN CB . 11062 1 65 . 1 1 9 9 GLN CG C 13 33.045 0.2 . 1 . . . . 31 GLN CG . 11062 1 66 . 1 1 9 9 GLN N N 15 127.192 0.2 . 1 . . . . 31 GLN N . 11062 1 67 . 1 1 9 9 GLN NE2 N 15 114.158 0.2 . 1 . . . . 31 GLN NE2 . 11062 1 68 . 1 1 10 10 PRO HA H 1 4.426 0.01 . 1 . . . . 32 PRO HA . 11062 1 69 . 1 1 10 10 PRO HB2 H 1 1.94 0.01 . 2 . . . . 32 PRO HB2 . 11062 1 70 . 1 1 10 10 PRO HB3 H 1 2.381 0.01 . 2 . . . . 32 PRO HB3 . 11062 1 71 . 1 1 10 10 PRO HD2 H 1 3.757 0.01 . 2 . . . . 32 PRO HD2 . 11062 1 72 . 1 1 10 10 PRO HD3 H 1 4.101 0.01 . 2 . . . . 32 PRO HD3 . 11062 1 73 . 1 1 10 10 PRO CA C 13 63.431 0.2 . 1 . . . . 32 PRO CA . 11062 1 74 . 1 1 10 10 PRO CB C 13 32.297 0.2 . 1 . . . . 32 PRO CB . 11062 1 75 . 1 1 10 10 PRO CD C 13 51.664 0.2 . 1 . . . . 32 PRO CD . 11062 1 76 . 1 1 10 10 PRO CG C 13 27.567 0.2 . 1 . . . . 32 PRO CG . 11062 1 77 . 1 1 11 11 ASN H H 1 8.972 0.01 . 1 . . . . 33 ASN H . 11062 1 78 . 1 1 11 11 ASN HA H 1 4.539 0.01 . 1 . . . . 33 ASN HA . 11062 1 79 . 1 1 11 11 ASN HB2 H 1 2.799 0.01 . 2 . . . . 33 ASN HB2 . 11062 1 80 . 1 1 11 11 ASN HB3 H 1 3.027 0.01 . 2 . . . . 33 ASN HB3 . 11062 1 81 . 1 1 11 11 ASN HD21 H 1 6.972 0.01 . 2 . . . . 33 ASN HD21 . 11062 1 82 . 1 1 11 11 ASN HD22 H 1 7.666 0.01 . 2 . . . . 33 ASN HD22 . 11062 1 83 . 1 1 11 11 ASN CA C 13 53.563 0.2 . 1 . . . . 33 ASN CA . 11062 1 84 . 1 1 11 11 ASN CB C 13 37.923 0.2 . 1 . . . . 33 ASN CB . 11062 1 85 . 1 1 11 11 ASN N N 15 119.013 0.2 . 1 . . . . 33 ASN N . 11062 1 86 . 1 1 11 11 ASN ND2 N 15 112.57 0.2 . 1 . . . . 33 ASN ND2 . 11062 1 87 . 1 1 12 12 PHE H H 1 7.996 0.01 . 1 . . . . 34 PHE H . 11062 1 88 . 1 1 12 12 PHE HA H 1 4.186 0.01 . 1 . . . . 34 PHE HA . 11062 1 89 . 1 1 12 12 PHE HB2 H 1 3.321 0.01 . 2 . . . . 34 PHE HB2 . 11062 1 90 . 1 1 12 12 PHE HD1 H 1 7.062 0.01 . 3 . . . . 34 PHE HD1 . 11062 1 91 . 1 1 12 12 PHE CA C 13 59.402 0.2 . 1 . . . . 34 PHE CA . 11062 1 92 . 1 1 12 12 PHE CB C 13 39.516 0.2 . 1 . . . . 34 PHE CB . 11062 1 93 . 1 1 12 12 PHE N N 15 119.073 0.2 . 1 . . . . 34 PHE N . 11062 1 94 . 1 1 13 13 GLN H H 1 7.402 0.01 . 1 . . . . 35 GLN H . 11062 1 95 . 1 1 13 13 GLN HA H 1 4.303 0.01 . 1 . . . . 35 GLN HA . 11062 1 96 . 1 1 13 13 GLN HB2 H 1 1.313 0.01 . 2 . . . . 35 GLN HB2 . 11062 1 97 . 1 1 13 13 GLN HB3 H 1 1.781 0.01 . 2 . . . . 35 GLN HB3 . 11062 1 98 . 1 1 13 13 GLN HE21 H 1 6.917 0.01 . 2 . . . . 35 GLN HE21 . 11062 1 99 . 1 1 13 13 GLN HE22 H 1 7.423 0.01 . 2 . . . . 35 GLN HE22 . 11062 1 100 . 1 1 13 13 GLN HG2 H 1 2.362 0.01 . 2 . . . . 35 GLN HG2 . 11062 1 101 . 1 1 13 13 GLN CA C 13 53.093 0.2 . 1 . . . . 35 GLN CA . 11062 1 102 . 1 1 13 13 GLN CB C 13 29.598 0.2 . 1 . . . . 35 GLN CB . 11062 1 103 . 1 1 13 13 GLN CG C 13 32.992 0.2 . 1 . . . . 35 GLN CG . 11062 1 104 . 1 1 13 13 GLN N N 15 128.226 0.2 . 1 . . . . 35 GLN N . 11062 1 105 . 1 1 13 13 GLN NE2 N 15 112.628 0.2 . 1 . . . . 35 GLN NE2 . 11062 1 106 . 1 1 14 14 GLN H H 1 8.736 0.01 . 1 . . . . 36 GLN H . 11062 1 107 . 1 1 14 14 GLN HA H 1 3.503 0.01 . 1 . . . . 36 GLN HA . 11062 1 108 . 1 1 14 14 GLN HB2 H 1 2.12 0.01 . 2 . . . . 36 GLN HB2 . 11062 1 109 . 1 1 14 14 GLN HB3 H 1 2.26 0.01 . 2 . . . . 36 GLN HB3 . 11062 1 110 . 1 1 14 14 GLN CA C 13 60.089 0.2 . 1 . . . . 36 GLN CA . 11062 1 111 . 1 1 14 14 GLN CB C 13 29.596 0.2 . 1 . . . . 36 GLN CB . 11062 1 112 . 1 1 14 14 GLN CG C 13 35.828 0.2 . 1 . . . . 36 GLN CG . 11062 1 113 . 1 1 14 14 GLN N N 15 124.702 0.2 . 1 . . . . 36 GLN N . 11062 1 114 . 1 1 15 15 ASP H H 1 8.628 0.01 . 1 . . . . 37 ASP H . 11062 1 115 . 1 1 15 15 ASP HA H 1 4.229 0.01 . 1 . . . . 37 ASP HA . 11062 1 116 . 1 1 15 15 ASP HB2 H 1 2.557 0.01 . 2 . . . . 37 ASP HB2 . 11062 1 117 . 1 1 15 15 ASP HB3 H 1 2.656 0.01 . 2 . . . . 37 ASP HB3 . 11062 1 118 . 1 1 15 15 ASP CA C 13 56.326 0.2 . 1 . . . . 37 ASP CA . 11062 1 119 . 1 1 15 15 ASP CB C 13 39.182 0.2 . 1 . . . . 37 ASP CB . 11062 1 120 . 1 1 15 15 ASP N N 15 114.027 0.2 . 1 . . . . 37 ASP N . 11062 1 121 . 1 1 16 16 LYS H H 1 6.859 0.01 . 1 . . . . 38 LYS H . 11062 1 122 . 1 1 16 16 LYS HA H 1 4.06 0.01 . 1 . . . . 38 LYS HA . 11062 1 123 . 1 1 16 16 LYS HB3 H 1 1.145 0.01 . 2 . . . . 38 LYS HB3 . 11062 1 124 . 1 1 16 16 LYS CA C 13 56.445 0.2 . 1 . . . . 38 LYS CA . 11062 1 125 . 1 1 16 16 LYS CB C 13 31.077 0.2 . 1 . . . . 38 LYS CB . 11062 1 126 . 1 1 16 16 LYS CD C 13 28.481 0.2 . 1 . . . . 38 LYS CD . 11062 1 127 . 1 1 16 16 LYS CE C 13 41.906 0.2 . 1 . . . . 38 LYS CE . 11062 1 128 . 1 1 16 16 LYS CG C 13 25.084 0.2 . 1 . . . . 38 LYS CG . 11062 1 129 . 1 1 16 16 LYS N N 15 116.638 0.2 . 1 . . . . 38 LYS N . 11062 1 130 . 1 1 17 17 PHE H H 1 7.454 0.01 . 1 . . . . 39 PHE H . 11062 1 131 . 1 1 17 17 PHE HA H 1 4.822 0.01 . 1 . . . . 39 PHE HA . 11062 1 132 . 1 1 17 17 PHE HB2 H 1 3.183 0.01 . 2 . . . . 39 PHE HB2 . 11062 1 133 . 1 1 17 17 PHE HB3 H 1 3.339 0.01 . 2 . . . . 39 PHE HB3 . 11062 1 134 . 1 1 17 17 PHE HD1 H 1 7.218 0.01 . 3 . . . . 39 PHE HD1 . 11062 1 135 . 1 1 17 17 PHE CA C 13 57.301 0.2 . 1 . . . . 39 PHE CA . 11062 1 136 . 1 1 17 17 PHE CB C 13 42.087 0.2 . 1 . . . . 39 PHE CB . 11062 1 137 . 1 1 17 17 PHE N N 15 119.221 0.2 . 1 . . . . 39 PHE N . 11062 1 138 . 1 1 18 18 LEU H H 1 6.674 0.01 . 1 . . . . 40 LEU H . 11062 1 139 . 1 1 18 18 LEU HA H 1 3.911 0.01 . 1 . . . . 40 LEU HA . 11062 1 140 . 1 1 18 18 LEU HB2 H 1 1.56 0.01 . 2 . . . . 40 LEU HB2 . 11062 1 141 . 1 1 18 18 LEU HB3 H 1 1.845 0.01 . 2 . . . . 40 LEU HB3 . 11062 1 142 . 1 1 18 18 LEU HD11 H 1 0.7 0.01 . 2 . . . . 40 LEU HD11 . 11062 1 143 . 1 1 18 18 LEU HD12 H 1 0.7 0.01 . 2 . . . . 40 LEU HD12 . 11062 1 144 . 1 1 18 18 LEU HD13 H 1 0.7 0.01 . 2 . . . . 40 LEU HD13 . 11062 1 145 . 1 1 18 18 LEU HD21 H 1 1.066 0.01 . 2 . . . . 40 LEU HD21 . 11062 1 146 . 1 1 18 18 LEU HD22 H 1 1.066 0.01 . 2 . . . . 40 LEU HD22 . 11062 1 147 . 1 1 18 18 LEU HD23 H 1 1.066 0.01 . 2 . . . . 40 LEU HD23 . 11062 1 148 . 1 1 18 18 LEU HG H 1 2.271 0.01 . 1 . . . . 40 LEU HG . 11062 1 149 . 1 1 18 18 LEU CA C 13 54.86 0.2 . 1 . . . . 40 LEU CA . 11062 1 150 . 1 1 18 18 LEU CB C 13 42.421 0.2 . 1 . . . . 40 LEU CB . 11062 1 151 . 1 1 18 18 LEU CD1 C 13 22.385 0.2 . 2 . . . . 40 LEU CD1 . 11062 1 152 . 1 1 18 18 LEU CD2 C 13 25.345 0.2 . 2 . . . . 40 LEU CD2 . 11062 1 153 . 1 1 18 18 LEU CG C 13 25.976 0.2 . 1 . . . . 40 LEU CG . 11062 1 154 . 1 1 18 18 LEU N N 15 112.003 0.2 . 1 . . . . 40 LEU N . 11062 1 155 . 1 1 19 19 GLY H H 1 8.876 0.01 . 1 . . . . 41 GLY H . 11062 1 156 . 1 1 19 19 GLY HA2 H 1 3.718 0.01 . 2 . . . . 41 GLY HA2 . 11062 1 157 . 1 1 19 19 GLY HA3 H 1 4.341 0.01 . 2 . . . . 41 GLY HA3 . 11062 1 158 . 1 1 19 19 GLY CA C 13 44.093 0.2 . 1 . . . . 41 GLY CA . 11062 1 159 . 1 1 19 19 GLY N N 15 107.87 0.2 . 1 . . . . 41 GLY N . 11062 1 160 . 1 1 20 20 ARG H H 1 8.678 0.01 . 1 . . . . 42 ARG H . 11062 1 161 . 1 1 20 20 ARG HA H 1 4.495 0.01 . 1 . . . . 42 ARG HA . 11062 1 162 . 1 1 20 20 ARG HB2 H 1 1.668 0.01 . 2 . . . . 42 ARG HB2 . 11062 1 163 . 1 1 20 20 ARG CA C 13 56.924 0.2 . 1 . . . . 42 ARG CA . 11062 1 164 . 1 1 20 20 ARG CB C 13 30.828 0.2 . 1 . . . . 42 ARG CB . 11062 1 165 . 1 1 20 20 ARG N N 15 121.873 0.2 . 1 . . . . 42 ARG N . 11062 1 166 . 1 1 21 21 TRP H H 1 9.32 0.01 . 1 . . . . 43 TRP H . 11062 1 167 . 1 1 21 21 TRP HA H 1 4.685 0.01 . 1 . . . . 43 TRP HA . 11062 1 168 . 1 1 21 21 TRP HB2 H 1 2.176 0.01 . 2 . . . . 43 TRP HB2 . 11062 1 169 . 1 1 21 21 TRP HD1 H 1 6.593 0.01 . 1 . . . . 43 TRP HD1 . 11062 1 170 . 1 1 21 21 TRP HE1 H 1 9.733 0.01 . 1 . . . . 43 TRP HE1 . 11062 1 171 . 1 1 21 21 TRP CA C 13 55.343 0.2 . 1 . . . . 43 TRP CA . 11062 1 172 . 1 1 21 21 TRP CB C 13 34.55 0.2 . 1 . . . . 43 TRP CB . 11062 1 173 . 1 1 21 21 TRP CD1 C 13 127.965 0.2 . 1 . . . . 43 TRP CD1 . 11062 1 174 . 1 1 21 21 TRP N N 15 130.676 0.2 . 1 . . . . 43 TRP N . 11062 1 175 . 1 1 21 21 TRP NE1 N 15 130.608 0.2 . 1 . . . . 43 TRP NE1 . 11062 1 176 . 1 1 22 22 TYR H H 1 9.661 0.01 . 1 . . . . 44 TYR H . 11062 1 177 . 1 1 22 22 TYR HA H 1 5.607 0.01 . 1 . . . . 44 TYR HA . 11062 1 178 . 1 1 22 22 TYR HB2 H 1 2.825 0.01 . 2 . . . . 44 TYR HB2 . 11062 1 179 . 1 1 22 22 TYR HB3 H 1 3.113 0.01 . 2 . . . . 44 TYR HB3 . 11062 1 180 . 1 1 22 22 TYR HD1 H 1 7.099 0.01 . 3 . . . . 44 TYR HD1 . 11062 1 181 . 1 1 22 22 TYR HE1 H 1 6.836 0.01 . 3 . . . . 44 TYR HE1 . 11062 1 182 . 1 1 22 22 TYR CA C 13 56.782 0.2 . 1 . . . . 44 TYR CA . 11062 1 183 . 1 1 22 22 TYR CB C 13 39.975 0.2 . 1 . . . . 44 TYR CB . 11062 1 184 . 1 1 22 22 TYR CD1 C 13 133.58 0.2 . 3 . . . . 44 TYR CD1 . 11062 1 185 . 1 1 22 22 TYR CE1 C 13 118.076 0.2 . 3 . . . . 44 TYR CE1 . 11062 1 186 . 1 1 22 22 TYR N N 15 117.926 0.2 . 1 . . . . 44 TYR N . 11062 1 187 . 1 1 23 23 SER H H 1 9.249 0.01 . 1 . . . . 45 SER H . 11062 1 188 . 1 1 23 23 SER HA H 1 4.705 0.01 . 1 . . . . 45 SER HA . 11062 1 189 . 1 1 23 23 SER HB2 H 1 3.784 0.01 . 2 . . . . 45 SER HB2 . 11062 1 190 . 1 1 23 23 SER HB3 H 1 3.93 0.01 . 2 . . . . 45 SER HB3 . 11062 1 191 . 1 1 23 23 SER CA C 13 57.06 0.2 . 1 . . . . 45 SER CA . 11062 1 192 . 1 1 23 23 SER CB C 13 62.668 0.2 . 1 . . . . 45 SER CB . 11062 1 193 . 1 1 23 23 SER N N 15 119.038 0.2 . 1 . . . . 45 SER N . 11062 1 194 . 1 1 24 24 ALA H H 1 8.724 0.01 . 1 . . . . 46 ALA H . 11062 1 195 . 1 1 24 24 ALA HA H 1 4.877 0.01 . 1 . . . . 46 ALA HA . 11062 1 196 . 1 1 24 24 ALA HB1 H 1 1.52 0.01 . 1 . . . . 46 ALA HB1 . 11062 1 197 . 1 1 24 24 ALA HB2 H 1 1.52 0.01 . 1 . . . . 46 ALA HB2 . 11062 1 198 . 1 1 24 24 ALA HB3 H 1 1.52 0.01 . 1 . . . . 46 ALA HB3 . 11062 1 199 . 1 1 24 24 ALA CA C 13 51.953 0.2 . 1 . . . . 46 ALA CA . 11062 1 200 . 1 1 24 24 ALA CB C 13 22.855 0.2 . 1 . . . . 46 ALA CB . 11062 1 201 . 1 1 24 24 ALA N N 15 126.183 0.2 . 1 . . . . 46 ALA N . 11062 1 202 . 1 1 25 25 GLY H H 1 7.82 0.01 . 1 . . . . 47 GLY H . 11062 1 203 . 1 1 25 25 GLY HA2 H 1 2.841 0.01 . 2 . . . . 47 GLY HA2 . 11062 1 204 . 1 1 25 25 GLY HA3 H 1 4.943 0.01 . 2 . . . . 47 GLY HA3 . 11062 1 205 . 1 1 25 25 GLY CA C 13 45.285 0.2 . 1 . . . . 47 GLY CA . 11062 1 206 . 1 1 25 25 GLY N N 15 107.738 0.2 . 1 . . . . 47 GLY N . 11062 1 207 . 1 1 26 26 LEU H H 1 9.082 0.01 . 1 . . . . 48 LEU H . 11062 1 208 . 1 1 26 26 LEU HA H 1 5.454 0.01 . 1 . . . . 48 LEU HA . 11062 1 209 . 1 1 26 26 LEU HB2 H 1 1.602 0.01 . 2 . . . . 48 LEU HB2 . 11062 1 210 . 1 1 26 26 LEU HD11 H 1 1.121 0.01 . 2 . . . . 48 LEU HD11 . 11062 1 211 . 1 1 26 26 LEU HD12 H 1 1.121 0.01 . 2 . . . . 48 LEU HD12 . 11062 1 212 . 1 1 26 26 LEU HD13 H 1 1.121 0.01 . 2 . . . . 48 LEU HD13 . 11062 1 213 . 1 1 26 26 LEU HD21 H 1 1.144 0.01 . 2 . . . . 48 LEU HD21 . 11062 1 214 . 1 1 26 26 LEU HD22 H 1 1.144 0.01 . 2 . . . . 48 LEU HD22 . 11062 1 215 . 1 1 26 26 LEU HD23 H 1 1.144 0.01 . 2 . . . . 48 LEU HD23 . 11062 1 216 . 1 1 26 26 LEU HG H 1 1.603 0.01 . 1 . . . . 48 LEU HG . 11062 1 217 . 1 1 26 26 LEU CA C 13 54.277 0.2 . 1 . . . . 48 LEU CA . 11062 1 218 . 1 1 26 26 LEU CB C 13 49.097 0.2 . 1 . . . . 48 LEU CB . 11062 1 219 . 1 1 26 26 LEU CD1 C 13 25.921 0.2 . 2 . . . . 48 LEU CD1 . 11062 1 220 . 1 1 26 26 LEU CD2 C 13 25.654 0.2 . 2 . . . . 48 LEU CD2 . 11062 1 221 . 1 1 26 26 LEU CG C 13 27.543 0.2 . 1 . . . . 48 LEU CG . 11062 1 222 . 1 1 26 26 LEU N N 15 125.132 0.2 . 1 . . . . 48 LEU N . 11062 1 223 . 1 1 27 27 ALA H H 1 8.854 0.01 . 1 . . . . 49 ALA H . 11062 1 224 . 1 1 27 27 ALA HA H 1 5.571 0.01 . 1 . . . . 49 ALA HA . 11062 1 225 . 1 1 27 27 ALA HB1 H 1 1.127 0.01 . 1 . . . . 49 ALA HB1 . 11062 1 226 . 1 1 27 27 ALA HB2 H 1 1.127 0.01 . 1 . . . . 49 ALA HB2 . 11062 1 227 . 1 1 27 27 ALA HB3 H 1 1.127 0.01 . 1 . . . . 49 ALA HB3 . 11062 1 228 . 1 1 27 27 ALA CA C 13 50.788 0.2 . 1 . . . . 49 ALA CA . 11062 1 229 . 1 1 27 27 ALA CB C 13 24.289 0.2 . 1 . . . . 49 ALA CB . 11062 1 230 . 1 1 27 27 ALA N N 15 123.65 0.2 . 1 . . . . 49 ALA N . 11062 1 231 . 1 1 28 28 SER H H 1 7.321 0.01 . 1 . . . . 50 SER H . 11062 1 232 . 1 1 28 28 SER HA H 1 4.625 0.01 . 1 . . . . 50 SER HA . 11062 1 233 . 1 1 28 28 SER HB2 H 1 2.587 0.01 . 2 . . . . 50 SER HB2 . 11062 1 234 . 1 1 28 28 SER HB3 H 1 3.559 0.01 . 2 . . . . 50 SER HB3 . 11062 1 235 . 1 1 28 28 SER CA C 13 56.119 0.2 . 1 . . . . 50 SER CA . 11062 1 236 . 1 1 28 28 SER CB C 13 64.886 0.2 . 1 . . . . 50 SER CB . 11062 1 237 . 1 1 28 28 SER N N 15 113.858 0.2 . 1 . . . . 50 SER N . 11062 1 238 . 1 1 29 29 ASN H H 1 7.743 0.01 . 1 . . . . 51 ASN H . 11062 1 239 . 1 1 29 29 ASN HA H 1 4.809 0.01 . 1 . . . . 51 ASN HA . 11062 1 240 . 1 1 29 29 ASN HB2 H 1 2.547 0.01 . 2 . . . . 51 ASN HB2 . 11062 1 241 . 1 1 29 29 ASN HB3 H 1 3.296 0.01 . 2 . . . . 51 ASN HB3 . 11062 1 242 . 1 1 29 29 ASN HD21 H 1 7.18 0.01 . 2 . . . . 51 ASN HD21 . 11062 1 243 . 1 1 29 29 ASN HD22 H 1 7.69 0.01 . 2 . . . . 51 ASN HD22 . 11062 1 244 . 1 1 29 29 ASN CA C 13 51.651 0.2 . 1 . . . . 51 ASN CA . 11062 1 245 . 1 1 29 29 ASN CB C 13 37.86 0.2 . 1 . . . . 51 ASN CB . 11062 1 246 . 1 1 29 29 ASN N N 15 120.399 0.2 . 1 . . . . 51 ASN N . 11062 1 247 . 1 1 29 29 ASN ND2 N 15 110.09 0.2 . 1 . . . . 51 ASN ND2 . 11062 1 248 . 1 1 30 30 SER H H 1 8.156 0.01 . 1 . . . . 52 SER H . 11062 1 249 . 1 1 30 30 SER HA H 1 4.46 0.01 . 1 . . . . 52 SER HA . 11062 1 250 . 1 1 30 30 SER HB2 H 1 3.943 0.01 . 2 . . . . 52 SER HB2 . 11062 1 251 . 1 1 30 30 SER HB3 H 1 4.093 0.01 . 2 . . . . 52 SER HB3 . 11062 1 252 . 1 1 30 30 SER CA C 13 58.432 0.2 . 1 . . . . 52 SER CA . 11062 1 253 . 1 1 30 30 SER CB C 13 64.745 0.2 . 1 . . . . 52 SER CB . 11062 1 254 . 1 1 30 30 SER N N 15 116.012 0.2 . 1 . . . . 52 SER N . 11062 1 255 . 1 1 31 31 SER H H 1 9.142 0.01 . 1 . . . . 53 SER H . 11062 1 256 . 1 1 31 31 SER HA H 1 4.003 0.01 . 1 . . . . 53 SER HA . 11062 1 257 . 1 1 31 31 SER HB2 H 1 4.018 0.01 . 2 . . . . 53 SER HB2 . 11062 1 258 . 1 1 31 31 SER N N 15 120.999 0.2 . 1 . . . . 53 SER N . 11062 1 259 . 1 1 32 32 TRP H H 1 8.03 0.01 . 1 . . . . 54 TRP H . 11062 1 260 . 1 1 32 32 TRP HA H 1 4.329 0.01 . 1 . . . . 54 TRP HA . 11062 1 261 . 1 1 32 32 TRP HB2 H 1 3.245 0.01 . 2 . . . . 54 TRP HB2 . 11062 1 262 . 1 1 32 32 TRP HB3 H 1 3.421 0.01 . 2 . . . . 54 TRP HB3 . 11062 1 263 . 1 1 32 32 TRP HD1 H 1 7.366 0.01 . 1 . . . . 54 TRP HD1 . 11062 1 264 . 1 1 32 32 TRP HE1 H 1 10.191 0.01 . 1 . . . . 54 TRP HE1 . 11062 1 265 . 1 1 32 32 TRP CA C 13 60.082 0.2 . 1 . . . . 54 TRP CA . 11062 1 266 . 1 1 32 32 TRP CB C 13 28.641 0.2 . 1 . . . . 54 TRP CB . 11062 1 267 . 1 1 32 32 TRP CD1 C 13 127.653 0.2 . 1 . . . . 54 TRP CD1 . 11062 1 268 . 1 1 32 32 TRP N N 15 121.477 0.2 . 1 . . . . 54 TRP N . 11062 1 269 . 1 1 32 32 TRP NE1 N 15 129.897 0.2 . 1 . . . . 54 TRP NE1 . 11062 1 270 . 1 1 33 33 PHE H H 1 7.333 0.01 . 1 . . . . 55 PHE H . 11062 1 271 . 1 1 33 33 PHE HA H 1 3.603 0.01 . 1 . . . . 55 PHE HA . 11062 1 272 . 1 1 33 33 PHE HB2 H 1 2.633 0.01 . 2 . . . . 55 PHE HB2 . 11062 1 273 . 1 1 33 33 PHE HB3 H 1 2.899 0.01 . 2 . . . . 55 PHE HB3 . 11062 1 274 . 1 1 33 33 PHE HD1 H 1 7.08 0.01 . 3 . . . . 55 PHE HD1 . 11062 1 275 . 1 1 33 33 PHE CA C 13 61.288 0.2 . 1 . . . . 55 PHE CA . 11062 1 276 . 1 1 33 33 PHE CB C 13 39.446 0.2 . 1 . . . . 55 PHE CB . 11062 1 277 . 1 1 33 33 PHE CD1 C 13 131.972 0.2 . 3 . . . . 55 PHE CD1 . 11062 1 278 . 1 1 33 33 PHE N N 15 120.174 0.2 . 1 . . . . 55 PHE N . 11062 1 279 . 1 1 34 34 ARG H H 1 7.86 0.01 . 1 . . . . 56 ARG H . 11062 1 280 . 1 1 34 34 ARG HA H 1 3.721 0.01 . 1 . . . . 56 ARG HA . 11062 1 281 . 1 1 34 34 ARG HB2 H 1 1.926 0.01 . 2 . . . . 56 ARG HB2 . 11062 1 282 . 1 1 34 34 ARG HD2 H 1 3.213 0.01 . 2 . . . . 56 ARG HD2 . 11062 1 283 . 1 1 34 34 ARG HG2 H 1 1.72 0.01 . 2 . . . . 56 ARG HG2 . 11062 1 284 . 1 1 34 34 ARG HG3 H 1 1.844 0.01 . 2 . . . . 56 ARG HG3 . 11062 1 285 . 1 1 34 34 ARG CA C 13 59.457 0.2 . 1 . . . . 56 ARG CA . 11062 1 286 . 1 1 34 34 ARG CB C 13 30.014 0.2 . 1 . . . . 56 ARG CB . 11062 1 287 . 1 1 34 34 ARG CD C 13 43.426 0.2 . 1 . . . . 56 ARG CD . 11062 1 288 . 1 1 34 34 ARG CG C 13 28.032 0.2 . 1 . . . . 56 ARG CG . 11062 1 289 . 1 1 34 34 ARG N N 15 117.452 0.2 . 1 . . . . 56 ARG N . 11062 1 290 . 1 1 35 35 GLU H H 1 7.715 0.01 . 1 . . . . 57 GLU H . 11062 1 291 . 1 1 35 35 GLU HA H 1 4.1 0.01 . 1 . . . . 57 GLU HA . 11062 1 292 . 1 1 35 35 GLU HB2 H 1 2.052 0.01 . 2 . . . . 57 GLU HB2 . 11062 1 293 . 1 1 35 35 GLU HG2 H 1 2.284 0.01 . 2 . . . . 57 GLU HG2 . 11062 1 294 . 1 1 35 35 GLU HG3 H 1 2.409 0.01 . 2 . . . . 57 GLU HG3 . 11062 1 295 . 1 1 35 35 GLU CA C 13 57.997 0.2 . 1 . . . . 57 GLU CA . 11062 1 296 . 1 1 35 35 GLU CB C 13 29.97 0.2 . 1 . . . . 57 GLU CB . 11062 1 297 . 1 1 35 35 GLU CG C 13 35.916 0.2 . 1 . . . . 57 GLU CG . 11062 1 298 . 1 1 35 35 GLU N N 15 116.049 0.2 . 1 . . . . 57 GLU N . 11062 1 299 . 1 1 36 36 LYS H H 1 7.614 0.01 . 1 . . . . 58 LYS H . 11062 1 300 . 1 1 36 36 LYS HA H 1 4.225 0.01 . 1 . . . . 58 LYS HA . 11062 1 301 . 1 1 36 36 LYS HB2 H 1 1.199 0.01 . 2 . . . . 58 LYS HB2 . 11062 1 302 . 1 1 36 36 LYS HB3 H 1 1.615 0.01 . 2 . . . . 58 LYS HB3 . 11062 1 303 . 1 1 36 36 LYS HD2 H 1 1.356 0.01 . 2 . . . . 58 LYS HD2 . 11062 1 304 . 1 1 36 36 LYS HD3 H 1 1.448 0.01 . 2 . . . . 58 LYS HD3 . 11062 1 305 . 1 1 36 36 LYS CA C 13 55.355 0.2 . 1 . . . . 58 LYS CA . 11062 1 306 . 1 1 36 36 LYS CB C 13 32.528 0.2 . 1 . . . . 58 LYS CB . 11062 1 307 . 1 1 36 36 LYS CD C 13 28.226 0.2 . 1 . . . . 58 LYS CD . 11062 1 308 . 1 1 36 36 LYS CE C 13 42.08 0.2 . 1 . . . . 58 LYS CE . 11062 1 309 . 1 1 36 36 LYS CG C 13 24.548 0.2 . 1 . . . . 58 LYS CG . 11062 1 310 . 1 1 36 36 LYS N N 15 116.955 0.2 . 1 . . . . 58 LYS N . 11062 1 311 . 1 1 37 37 LYS H H 1 7.546 0.01 . 1 . . . . 59 LYS H . 11062 1 312 . 1 1 37 37 LYS HA H 1 3.403 0.01 . 1 . . . . 59 LYS HA . 11062 1 313 . 1 1 37 37 LYS HB2 H 1 1.116 0.01 . 2 . . . . 59 LYS HB2 . 11062 1 314 . 1 1 37 37 LYS HB3 H 1 1.329 0.01 . 2 . . . . 59 LYS HB3 . 11062 1 315 . 1 1 37 37 LYS CA C 13 59.757 0.2 . 1 . . . . 59 LYS CA . 11062 1 316 . 1 1 37 37 LYS CB C 13 31.569 0.2 . 1 . . . . 59 LYS CB . 11062 1 317 . 1 1 37 37 LYS CD C 13 29.707 0.2 . 1 . . . . 59 LYS CD . 11062 1 318 . 1 1 37 37 LYS CE C 13 41.897 0.2 . 1 . . . . 59 LYS CE . 11062 1 319 . 1 1 37 37 LYS CG C 13 23.728 0.2 . 1 . . . . 59 LYS CG . 11062 1 320 . 1 1 37 37 LYS N N 15 118.551 0.2 . 1 . . . . 59 LYS N . 11062 1 321 . 1 1 38 38 ALA H H 1 7.94 0.01 . 1 . . . . 60 ALA H . 11062 1 322 . 1 1 38 38 ALA HA H 1 4.215 0.01 . 1 . . . . 60 ALA HA . 11062 1 323 . 1 1 38 38 ALA HB1 H 1 1.387 0.01 . 1 . . . . 60 ALA HB1 . 11062 1 324 . 1 1 38 38 ALA HB2 H 1 1.387 0.01 . 1 . . . . 60 ALA HB2 . 11062 1 325 . 1 1 38 38 ALA HB3 H 1 1.387 0.01 . 1 . . . . 60 ALA HB3 . 11062 1 326 . 1 1 38 38 ALA CA C 13 53.352 0.2 . 1 . . . . 60 ALA CA . 11062 1 327 . 1 1 38 38 ALA CB C 13 19.247 0.2 . 1 . . . . 60 ALA CB . 11062 1 328 . 1 1 38 38 ALA N N 15 118.227 0.2 . 1 . . . . 60 ALA N . 11062 1 329 . 1 1 39 39 VAL H H 1 7.917 0.01 . 1 . . . . 61 VAL H . 11062 1 330 . 1 1 39 39 VAL HA H 1 4.466 0.01 . 1 . . . . 61 VAL HA . 11062 1 331 . 1 1 39 39 VAL HB H 1 2.527 0.01 . 1 . . . . 61 VAL HB . 11062 1 332 . 1 1 39 39 VAL HG11 H 1 0.884 0.01 . 2 . . . . 61 VAL HG11 . 11062 1 333 . 1 1 39 39 VAL HG12 H 1 0.884 0.01 . 2 . . . . 61 VAL HG12 . 11062 1 334 . 1 1 39 39 VAL HG13 H 1 0.884 0.01 . 2 . . . . 61 VAL HG13 . 11062 1 335 . 1 1 39 39 VAL HG21 H 1 0.944 0.01 . 2 . . . . 61 VAL HG21 . 11062 1 336 . 1 1 39 39 VAL HG22 H 1 0.944 0.01 . 2 . . . . 61 VAL HG22 . 11062 1 337 . 1 1 39 39 VAL HG23 H 1 0.944 0.01 . 2 . . . . 61 VAL HG23 . 11062 1 338 . 1 1 39 39 VAL CA C 13 60.339 0.2 . 1 . . . . 61 VAL CA . 11062 1 339 . 1 1 39 39 VAL CB C 13 31.626 0.2 . 1 . . . . 61 VAL CB . 11062 1 340 . 1 1 39 39 VAL CG1 C 13 21.16 0.2 . 2 . . . . 61 VAL CG1 . 11062 1 341 . 1 1 39 39 VAL CG2 C 13 19.276 0.2 . 2 . . . . 61 VAL CG2 . 11062 1 342 . 1 1 39 39 VAL N N 15 111.011 0.2 . 1 . . . . 61 VAL N . 11062 1 343 . 1 1 40 40 LEU H H 1 6.773 0.01 . 1 . . . . 62 LEU H . 11062 1 344 . 1 1 40 40 LEU HA H 1 4.495 0.01 . 1 . . . . 62 LEU HA . 11062 1 345 . 1 1 40 40 LEU HB2 H 1 1.341 0.01 . 2 . . . . 62 LEU HB2 . 11062 1 346 . 1 1 40 40 LEU HB3 H 1 1.538 0.01 . 2 . . . . 62 LEU HB3 . 11062 1 347 . 1 1 40 40 LEU HD11 H 1 0.846 0.01 . 2 . . . . 62 LEU HD11 . 11062 1 348 . 1 1 40 40 LEU HD12 H 1 0.846 0.01 . 2 . . . . 62 LEU HD12 . 11062 1 349 . 1 1 40 40 LEU HD13 H 1 0.846 0.01 . 2 . . . . 62 LEU HD13 . 11062 1 350 . 1 1 40 40 LEU CA C 13 54.357 0.2 . 1 . . . . 62 LEU CA . 11062 1 351 . 1 1 40 40 LEU CB C 13 43.272 0.2 . 1 . . . . 62 LEU CB . 11062 1 352 . 1 1 40 40 LEU CD1 C 13 22.442 0.2 . 2 . . . . 62 LEU CD1 . 11062 1 353 . 1 1 40 40 LEU N N 15 121.749 0.2 . 1 . . . . 62 LEU N . 11062 1 354 . 1 1 41 41 TYR H H 1 8.277 0.01 . 1 . . . . 63 TYR H . 11062 1 355 . 1 1 41 41 TYR HA H 1 4.837 0.01 . 1 . . . . 63 TYR HA . 11062 1 356 . 1 1 41 41 TYR HB2 H 1 3.197 0.01 . 2 . . . . 63 TYR HB2 . 11062 1 357 . 1 1 41 41 TYR HD1 H 1 7.082 0.01 . 3 . . . . 63 TYR HD1 . 11062 1 358 . 1 1 41 41 TYR CA C 13 56.696 0.2 . 1 . . . . 63 TYR CA . 11062 1 359 . 1 1 41 41 TYR CB C 13 42.753 0.2 . 1 . . . . 63 TYR CB . 11062 1 360 . 1 1 41 41 TYR N N 15 118.215 0.2 . 1 . . . . 63 TYR N . 11062 1 361 . 1 1 42 42 MET H H 1 8.749 0.01 . 1 . . . . 64 MET H . 11062 1 362 . 1 1 42 42 MET HA H 1 4.324 0.01 . 1 . . . . 64 MET HA . 11062 1 363 . 1 1 42 42 MET HE1 H 1 2.301 0.01 . 1 . . . . 64 MET HE1 . 11062 1 364 . 1 1 42 42 MET HE2 H 1 2.301 0.01 . 1 . . . . 64 MET HE2 . 11062 1 365 . 1 1 42 42 MET HE3 H 1 2.301 0.01 . 1 . . . . 64 MET HE3 . 11062 1 366 . 1 1 42 42 MET HG2 H 1 2.371 0.01 . 2 . . . . 64 MET HG2 . 11062 1 367 . 1 1 42 42 MET HG3 H 1 2.979 0.01 . 2 . . . . 64 MET HG3 . 11062 1 368 . 1 1 42 42 MET CA C 13 57.707 0.2 . 1 . . . . 64 MET CA . 11062 1 369 . 1 1 42 42 MET CB C 13 35.348 0.2 . 1 . . . . 64 MET CB . 11062 1 370 . 1 1 42 42 MET CE C 13 16.621 0.2 . 1 . . . . 64 MET CE . 11062 1 371 . 1 1 42 42 MET CG C 13 31.161 0.2 . 1 . . . . 64 MET CG . 11062 1 372 . 1 1 42 42 MET N N 15 122.104 0.2 . 1 . . . . 64 MET N . 11062 1 373 . 1 1 43 43 ALA H H 1 7.715 0.01 . 1 . . . . 65 ALA H . 11062 1 374 . 1 1 43 43 ALA HA H 1 5.26 0.01 . 1 . . . . 65 ALA HA . 11062 1 375 . 1 1 43 43 ALA HB1 H 1 1.525 0.01 . 1 . . . . 65 ALA HB1 . 11062 1 376 . 1 1 43 43 ALA HB2 H 1 1.525 0.01 . 1 . . . . 65 ALA HB2 . 11062 1 377 . 1 1 43 43 ALA HB3 H 1 1.525 0.01 . 1 . . . . 65 ALA HB3 . 11062 1 378 . 1 1 43 43 ALA CA C 13 50.03 0.2 . 1 . . . . 65 ALA CA . 11062 1 379 . 1 1 43 43 ALA CB C 13 22.614 0.2 . 1 . . . . 65 ALA CB . 11062 1 380 . 1 1 43 43 ALA N N 15 126.545 0.2 . 1 . . . . 65 ALA N . 11062 1 381 . 1 1 44 44 LYS H H 1 8.405 0.01 . 1 . . . . 66 LYS H . 11062 1 382 . 1 1 44 44 LYS HA H 1 4.79 0.01 . 1 . . . . 66 LYS HA . 11062 1 383 . 1 1 44 44 LYS HB2 H 1 1.771 0.01 . 2 . . . . 66 LYS HB2 . 11062 1 384 . 1 1 44 44 LYS HB3 H 1 1.908 0.01 . 2 . . . . 66 LYS HB3 . 11062 1 385 . 1 1 44 44 LYS CA C 13 55.7 0.2 . 1 . . . . 66 LYS CA . 11062 1 386 . 1 1 44 44 LYS CB C 13 34.887 0.2 . 1 . . . . 66 LYS CB . 11062 1 387 . 1 1 44 44 LYS N N 15 122.33 0.2 . 1 . . . . 66 LYS N . 11062 1 388 . 1 1 45 45 THR H H 1 9.398 0.01 . 1 . . . . 67 THR H . 11062 1 389 . 1 1 45 45 THR HA H 1 5.067 0.01 . 1 . . . . 67 THR HA . 11062 1 390 . 1 1 45 45 THR HB H 1 3.459 0.01 . 1 . . . . 67 THR HB . 11062 1 391 . 1 1 45 45 THR HG21 H 1 0.9 0.01 . 1 . . . . 67 THR HG21 . 11062 1 392 . 1 1 45 45 THR HG22 H 1 0.9 0.01 . 1 . . . . 67 THR HG22 . 11062 1 393 . 1 1 45 45 THR HG23 H 1 0.9 0.01 . 1 . . . . 67 THR HG23 . 11062 1 394 . 1 1 45 45 THR CA C 13 62.069 0.2 . 1 . . . . 67 THR CA . 11062 1 395 . 1 1 45 45 THR CB C 13 72.034 0.2 . 1 . . . . 67 THR CB . 11062 1 396 . 1 1 45 45 THR CG2 C 13 21.275 0.2 . 1 . . . . 67 THR CG2 . 11062 1 397 . 1 1 45 45 THR N N 15 125.471 0.2 . 1 . . . . 67 THR N . 11062 1 398 . 1 1 46 46 VAL H H 1 9.026 0.01 . 1 . . . . 68 VAL H . 11062 1 399 . 1 1 46 46 VAL HA H 1 4.51 0.01 . 1 . . . . 68 VAL HA . 11062 1 400 . 1 1 46 46 VAL HB H 1 1.933 0.01 . 1 . . . . 68 VAL HB . 11062 1 401 . 1 1 46 46 VAL HG11 H 1 0.814 0.01 . 2 . . . . 68 VAL HG11 . 11062 1 402 . 1 1 46 46 VAL HG12 H 1 0.814 0.01 . 2 . . . . 68 VAL HG12 . 11062 1 403 . 1 1 46 46 VAL HG13 H 1 0.814 0.01 . 2 . . . . 68 VAL HG13 . 11062 1 404 . 1 1 46 46 VAL CA C 13 61.532 0.2 . 1 . . . . 68 VAL CA . 11062 1 405 . 1 1 46 46 VAL CB C 13 33.257 0.2 . 1 . . . . 68 VAL CB . 11062 1 406 . 1 1 46 46 VAL CG1 C 13 21.473 0.2 . 2 . . . . 68 VAL CG1 . 11062 1 407 . 1 1 46 46 VAL N N 15 126.96 0.2 . 1 . . . . 68 VAL N . 11062 1 408 . 1 1 47 47 VAL H H 1 9.346 0.01 . 1 . . . . 69 VAL H . 11062 1 409 . 1 1 47 47 VAL HA H 1 4.7 0.01 . 1 . . . . 69 VAL HA . 11062 1 410 . 1 1 47 47 VAL HB H 1 2.272 0.01 . 1 . . . . 69 VAL HB . 11062 1 411 . 1 1 47 47 VAL HG11 H 1 0.709 0.01 . 2 . . . . 69 VAL HG11 . 11062 1 412 . 1 1 47 47 VAL HG12 H 1 0.709 0.01 . 2 . . . . 69 VAL HG12 . 11062 1 413 . 1 1 47 47 VAL HG13 H 1 0.709 0.01 . 2 . . . . 69 VAL HG13 . 11062 1 414 . 1 1 47 47 VAL HG21 H 1 0.913 0.01 . 2 . . . . 69 VAL HG21 . 11062 1 415 . 1 1 47 47 VAL HG22 H 1 0.913 0.01 . 2 . . . . 69 VAL HG22 . 11062 1 416 . 1 1 47 47 VAL HG23 H 1 0.913 0.01 . 2 . . . . 69 VAL HG23 . 11062 1 417 . 1 1 47 47 VAL CA C 13 61.99 0.2 . 1 . . . . 69 VAL CA . 11062 1 418 . 1 1 47 47 VAL CB C 13 32.495 0.2 . 1 . . . . 69 VAL CB . 11062 1 419 . 1 1 47 47 VAL CG1 C 13 21.497 0.2 . 2 . . . . 69 VAL CG1 . 11062 1 420 . 1 1 47 47 VAL CG2 C 13 23.587 0.2 . 2 . . . . 69 VAL CG2 . 11062 1 421 . 1 1 47 47 VAL N N 15 130.792 0.2 . 1 . . . . 69 VAL N . 11062 1 422 . 1 1 48 48 ALA H H 1 9.268 0.01 . 1 . . . . 70 ALA H . 11062 1 423 . 1 1 48 48 ALA HA H 1 5.121 0.01 . 1 . . . . 70 ALA HA . 11062 1 424 . 1 1 48 48 ALA HB1 H 1 1.495 0.01 . 1 . . . . 70 ALA HB1 . 11062 1 425 . 1 1 48 48 ALA HB2 H 1 1.495 0.01 . 1 . . . . 70 ALA HB2 . 11062 1 426 . 1 1 48 48 ALA HB3 H 1 1.495 0.01 . 1 . . . . 70 ALA HB3 . 11062 1 427 . 1 1 48 48 ALA CA C 13 49.71 0.2 . 1 . . . . 70 ALA CA . 11062 1 428 . 1 1 48 48 ALA CB C 13 21.349 0.2 . 1 . . . . 70 ALA CB . 11062 1 429 . 1 1 48 48 ALA N N 15 133.796 0.2 . 1 . . . . 70 ALA N . 11062 1 430 . 1 1 49 49 PRO HA H 1 4.842 0.01 . 1 . . . . 71 PRO HA . 11062 1 431 . 1 1 49 49 PRO HB2 H 1 1.996 0.01 . 2 . . . . 71 PRO HB2 . 11062 1 432 . 1 1 49 49 PRO HB3 H 1 2.43 0.01 . 2 . . . . 71 PRO HB3 . 11062 1 433 . 1 1 49 49 PRO CA C 13 63.04 0.2 . 1 . . . . 71 PRO CA . 11062 1 434 . 1 1 49 49 PRO CB C 13 32.195 0.2 . 1 . . . . 71 PRO CB . 11062 1 435 . 1 1 49 49 PRO CD C 13 50.636 0.2 . 1 . . . . 71 PRO CD . 11062 1 436 . 1 1 49 49 PRO CG C 13 27.622 0.2 . 1 . . . . 71 PRO CG . 11062 1 437 . 1 1 50 50 SER H H 1 8.025 0.01 . 1 . . . . 72 SER H . 11062 1 438 . 1 1 50 50 SER HA H 1 4.914 0.01 . 1 . . . . 72 SER HA . 11062 1 439 . 1 1 50 50 SER HB2 H 1 3.481 0.01 . 2 . . . . 72 SER HB2 . 11062 1 440 . 1 1 50 50 SER HB3 H 1 4.117 0.01 . 2 . . . . 72 SER HB3 . 11062 1 441 . 1 1 50 50 SER CA C 13 55.615 0.2 . 1 . . . . 72 SER CA . 11062 1 442 . 1 1 50 50 SER CB C 13 65.439 0.2 . 1 . . . . 72 SER CB . 11062 1 443 . 1 1 50 50 SER N N 15 117.492 0.2 . 1 . . . . 72 SER N . 11062 1 444 . 1 1 51 51 THR H H 1 8.73 0.01 . 1 . . . . 73 THR H . 11062 1 445 . 1 1 51 51 THR HA H 1 4.145 0.01 . 1 . . . . 73 THR HA . 11062 1 446 . 1 1 51 51 THR HB H 1 4.335 0.01 . 1 . . . . 73 THR HB . 11062 1 447 . 1 1 51 51 THR HG21 H 1 1.341 0.01 . 1 . . . . 73 THR HG21 . 11062 1 448 . 1 1 51 51 THR HG22 H 1 1.341 0.01 . 1 . . . . 73 THR HG22 . 11062 1 449 . 1 1 51 51 THR HG23 H 1 1.341 0.01 . 1 . . . . 73 THR HG23 . 11062 1 450 . 1 1 51 51 THR CA C 13 64.544 0.2 . 1 . . . . 73 THR CA . 11062 1 451 . 1 1 51 51 THR CB C 13 68.785 0.2 . 1 . . . . 73 THR CB . 11062 1 452 . 1 1 51 51 THR CG2 C 13 22.091 0.2 . 1 . . . . 73 THR CG2 . 11062 1 453 . 1 1 51 51 THR N N 15 116.878 0.2 . 1 . . . . 73 THR N . 11062 1 454 . 1 1 52 52 GLU H H 1 8.151 0.01 . 1 . . . . 74 GLU H . 11062 1 455 . 1 1 52 52 GLU HA H 1 4.475 0.01 . 1 . . . . 74 GLU HA . 11062 1 456 . 1 1 52 52 GLU HB2 H 1 2.031 0.01 . 2 . . . . 74 GLU HB2 . 11062 1 457 . 1 1 52 52 GLU HB3 H 1 2.31 0.01 . 2 . . . . 74 GLU HB3 . 11062 1 458 . 1 1 52 52 GLU HG2 H 1 2.366 0.01 . 2 . . . . 74 GLU HG2 . 11062 1 459 . 1 1 52 52 GLU CA C 13 56.422 0.2 . 1 . . . . 74 GLU CA . 11062 1 460 . 1 1 52 52 GLU CB C 13 28.86 0.2 . 1 . . . . 74 GLU CB . 11062 1 461 . 1 1 52 52 GLU CG C 13 35.917 0.2 . 1 . . . . 74 GLU CG . 11062 1 462 . 1 1 52 52 GLU N N 15 118.204 0.2 . 1 . . . . 74 GLU N . 11062 1 463 . 1 1 53 53 GLY H H 1 7.778 0.01 . 1 . . . . 75 GLY H . 11062 1 464 . 1 1 53 53 GLY HA2 H 1 3.864 0.01 . 2 . . . . 75 GLY HA2 . 11062 1 465 . 1 1 53 53 GLY HA3 H 1 4.446 0.01 . 2 . . . . 75 GLY HA3 . 11062 1 466 . 1 1 53 53 GLY CA C 13 45.501 0.2 . 1 . . . . 75 GLY CA . 11062 1 467 . 1 1 53 53 GLY N N 15 106.348 0.2 . 1 . . . . 75 GLY N . 11062 1 468 . 1 1 54 54 GLY H H 1 7.775 0.01 . 1 . . . . 76 GLY H . 11062 1 469 . 1 1 54 54 GLY HA2 H 1 4.177 0.01 . 2 . . . . 76 GLY HA2 . 11062 1 470 . 1 1 54 54 GLY HA3 H 1 4.677 0.01 . 2 . . . . 76 GLY HA3 . 11062 1 471 . 1 1 54 54 GLY CA C 13 43.906 0.2 . 1 . . . . 76 GLY CA . 11062 1 472 . 1 1 54 54 GLY N N 15 108.46 0.2 . 1 . . . . 76 GLY N . 11062 1 473 . 1 1 55 55 LEU H H 1 8.311 0.01 . 1 . . . . 77 LEU H . 11062 1 474 . 1 1 55 55 LEU HA H 1 5.116 0.01 . 1 . . . . 77 LEU HA . 11062 1 475 . 1 1 55 55 LEU HB2 H 1 1.113 0.01 . 2 . . . . 77 LEU HB2 . 11062 1 476 . 1 1 55 55 LEU HB3 H 1 1.264 0.01 . 2 . . . . 77 LEU HB3 . 11062 1 477 . 1 1 55 55 LEU CA C 13 53.425 0.2 . 1 . . . . 77 LEU CA . 11062 1 478 . 1 1 55 55 LEU CB C 13 47.604 0.2 . 1 . . . . 77 LEU CB . 11062 1 479 . 1 1 55 55 LEU N N 15 120.236 0.2 . 1 . . . . 77 LEU N . 11062 1 480 . 1 1 56 56 ASN H H 1 9.424 0.01 . 1 . . . . 78 ASN H . 11062 1 481 . 1 1 56 56 ASN HA H 1 5.149 0.01 . 1 . . . . 78 ASN HA . 11062 1 482 . 1 1 56 56 ASN HB2 H 1 2.487 0.01 . 2 . . . . 78 ASN HB2 . 11062 1 483 . 1 1 56 56 ASN HD21 H 1 6.465 0.01 . 2 . . . . 78 ASN HD21 . 11062 1 484 . 1 1 56 56 ASN HD22 H 1 7.153 0.01 . 2 . . . . 78 ASN HD22 . 11062 1 485 . 1 1 56 56 ASN CA C 13 52.316 0.2 . 1 . . . . 78 ASN CA . 11062 1 486 . 1 1 56 56 ASN CB C 13 40.839 0.2 . 1 . . . . 78 ASN CB . 11062 1 487 . 1 1 56 56 ASN N N 15 120.305 0.2 . 1 . . . . 78 ASN N . 11062 1 488 . 1 1 56 56 ASN ND2 N 15 109.46 0.2 . 1 . . . . 78 ASN ND2 . 11062 1 489 . 1 1 57 57 LEU H H 1 9.259 0.01 . 1 . . . . 79 LEU H . 11062 1 490 . 1 1 57 57 LEU HA H 1 4.903 0.01 . 1 . . . . 79 LEU HA . 11062 1 491 . 1 1 57 57 LEU CA C 13 54.713 0.2 . 1 . . . . 79 LEU CA . 11062 1 492 . 1 1 57 57 LEU CB C 13 42.533 0.2 . 1 . . . . 79 LEU CB . 11062 1 493 . 1 1 57 57 LEU N N 15 127.309 0.2 . 1 . . . . 79 LEU N . 11062 1 494 . 1 1 58 58 THR H H 1 8.973 0.01 . 1 . . . . 80 THR H . 11062 1 495 . 1 1 58 58 THR HA H 1 4.941 0.01 . 1 . . . . 80 THR HA . 11062 1 496 . 1 1 58 58 THR HB H 1 4.072 0.01 . 1 . . . . 80 THR HB . 11062 1 497 . 1 1 58 58 THR HG21 H 1 1.101 0.01 . 1 . . . . 80 THR HG21 . 11062 1 498 . 1 1 58 58 THR HG22 H 1 1.101 0.01 . 1 . . . . 80 THR HG22 . 11062 1 499 . 1 1 58 58 THR HG23 H 1 1.101 0.01 . 1 . . . . 80 THR HG23 . 11062 1 500 . 1 1 58 58 THR CA C 13 62.501 0.2 . 1 . . . . 80 THR CA . 11062 1 501 . 1 1 58 58 THR CB C 13 68.984 0.2 . 1 . . . . 80 THR CB . 11062 1 502 . 1 1 58 58 THR CG2 C 13 21.136 0.2 . 1 . . . . 80 THR CG2 . 11062 1 503 . 1 1 58 58 THR N N 15 122.763 0.2 . 1 . . . . 80 THR N . 11062 1 504 . 1 1 59 59 SER H H 1 9.549 0.01 . 1 . . . . 81 SER H . 11062 1 505 . 1 1 59 59 SER HA H 1 6.045 0.01 . 1 . . . . 81 SER HA . 11062 1 506 . 1 1 59 59 SER HB2 H 1 3.726 0.01 . 2 . . . . 81 SER HB2 . 11062 1 507 . 1 1 59 59 SER CA C 13 57.242 0.2 . 1 . . . . 81 SER CA . 11062 1 508 . 1 1 59 59 SER CB C 13 65.536 0.2 . 1 . . . . 81 SER CB . 11062 1 509 . 1 1 59 59 SER N N 15 126.425 0.2 . 1 . . . . 81 SER N . 11062 1 510 . 1 1 60 60 THR H H 1 9.332 0.01 . 1 . . . . 82 THR H . 11062 1 511 . 1 1 60 60 THR HA H 1 5.464 0.01 . 1 . . . . 82 THR HA . 11062 1 512 . 1 1 60 60 THR HB H 1 3.884 0.01 . 1 . . . . 82 THR HB . 11062 1 513 . 1 1 60 60 THR HG21 H 1 1.201 0.01 . 1 . . . . 82 THR HG21 . 11062 1 514 . 1 1 60 60 THR HG22 H 1 1.201 0.01 . 1 . . . . 82 THR HG22 . 11062 1 515 . 1 1 60 60 THR HG23 H 1 1.201 0.01 . 1 . . . . 82 THR HG23 . 11062 1 516 . 1 1 60 60 THR CA C 13 61.719 0.2 . 1 . . . . 82 THR CA . 11062 1 517 . 1 1 60 60 THR CB C 13 70.846 0.2 . 1 . . . . 82 THR CB . 11062 1 518 . 1 1 60 60 THR CG2 C 13 21.628 0.2 . 1 . . . . 82 THR CG2 . 11062 1 519 . 1 1 60 60 THR N N 15 121.445 0.2 . 1 . . . . 82 THR N . 11062 1 520 . 1 1 61 61 PHE H H 1 8.794 0.01 . 1 . . . . 83 PHE H . 11062 1 521 . 1 1 61 61 PHE HA H 1 5.266 0.01 . 1 . . . . 83 PHE HA . 11062 1 522 . 1 1 61 61 PHE HB2 H 1 3.125 0.01 . 2 . . . . 83 PHE HB2 . 11062 1 523 . 1 1 61 61 PHE HD1 H 1 7.003 0.01 . 3 . . . . 83 PHE HD1 . 11062 1 524 . 1 1 61 61 PHE HE1 H 1 6.907 0.01 . 3 . . . . 83 PHE HE1 . 11062 1 525 . 1 1 61 61 PHE CA C 13 54.698 0.2 . 1 . . . . 83 PHE CA . 11062 1 526 . 1 1 61 61 PHE CB C 13 42.327 0.2 . 1 . . . . 83 PHE CB . 11062 1 527 . 1 1 61 61 PHE CD1 C 13 133.06 0.2 . 3 . . . . 83 PHE CD1 . 11062 1 528 . 1 1 61 61 PHE N N 15 121.707 0.2 . 1 . . . . 83 PHE N . 11062 1 529 . 1 1 62 62 LEU H H 1 8.915 0.01 . 1 . . . . 84 LEU H . 11062 1 530 . 1 1 62 62 LEU HA H 1 4.885 0.01 . 1 . . . . 84 LEU HA . 11062 1 531 . 1 1 62 62 LEU HB2 H 1 1.136 0.01 . 2 . . . . 84 LEU HB2 . 11062 1 532 . 1 1 62 62 LEU HB3 H 1 1.765 0.01 . 2 . . . . 84 LEU HB3 . 11062 1 533 . 1 1 62 62 LEU HD11 H 1 0.515 0.01 . 2 . . . . 84 LEU HD11 . 11062 1 534 . 1 1 62 62 LEU HD12 H 1 0.515 0.01 . 2 . . . . 84 LEU HD12 . 11062 1 535 . 1 1 62 62 LEU HD13 H 1 0.515 0.01 . 2 . . . . 84 LEU HD13 . 11062 1 536 . 1 1 62 62 LEU HD21 H 1 0.703 0.01 . 2 . . . . 84 LEU HD21 . 11062 1 537 . 1 1 62 62 LEU HD22 H 1 0.703 0.01 . 2 . . . . 84 LEU HD22 . 11062 1 538 . 1 1 62 62 LEU HD23 H 1 0.703 0.01 . 2 . . . . 84 LEU HD23 . 11062 1 539 . 1 1 62 62 LEU HG H 1 1.387 0.01 . 1 . . . . 84 LEU HG . 11062 1 540 . 1 1 62 62 LEU CA C 13 54.447 0.2 . 1 . . . . 84 LEU CA . 11062 1 541 . 1 1 62 62 LEU CB C 13 43.627 0.2 . 1 . . . . 84 LEU CB . 11062 1 542 . 1 1 62 62 LEU CD1 C 13 26.485 0.2 . 2 . . . . 84 LEU CD1 . 11062 1 543 . 1 1 62 62 LEU CD2 C 13 23.65 0.2 . 2 . . . . 84 LEU CD2 . 11062 1 544 . 1 1 62 62 LEU CG C 13 27.577 0.2 . 1 . . . . 84 LEU CG . 11062 1 545 . 1 1 62 62 LEU N N 15 122.16 0.2 . 1 . . . . 84 LEU N . 11062 1 546 . 1 1 63 63 ARG H H 1 9.213 0.01 . 1 . . . . 85 ARG H . 11062 1 547 . 1 1 63 63 ARG HA H 1 4.645 0.01 . 1 . . . . 85 ARG HA . 11062 1 548 . 1 1 63 63 ARG HB2 H 1 1.824 0.01 . 2 . . . . 85 ARG HB2 . 11062 1 549 . 1 1 63 63 ARG HB3 H 1 1.913 0.01 . 2 . . . . 85 ARG HB3 . 11062 1 550 . 1 1 63 63 ARG HD2 H 1 3.367 0.01 . 2 . . . . 85 ARG HD2 . 11062 1 551 . 1 1 63 63 ARG CA C 13 56.244 0.2 . 1 . . . . 85 ARG CA . 11062 1 552 . 1 1 63 63 ARG CB C 13 32.551 0.2 . 1 . . . . 85 ARG CB . 11062 1 553 . 1 1 63 63 ARG CD C 13 43.448 0.2 . 1 . . . . 85 ARG CD . 11062 1 554 . 1 1 63 63 ARG CG C 13 27.449 0.2 . 1 . . . . 85 ARG CG . 11062 1 555 . 1 1 63 63 ARG N N 15 128.889 0.2 . 1 . . . . 85 ARG N . 11062 1 556 . 1 1 64 64 LYS H H 1 9.466 0.01 . 1 . . . . 86 LYS H . 11062 1 557 . 1 1 64 64 LYS HA H 1 3.869 0.01 . 1 . . . . 86 LYS HA . 11062 1 558 . 1 1 64 64 LYS HB2 H 1 1.923 0.01 . 2 . . . . 86 LYS HB2 . 11062 1 559 . 1 1 64 64 LYS HB3 H 1 2.096 0.01 . 2 . . . . 86 LYS HB3 . 11062 1 560 . 1 1 64 64 LYS HD2 H 1 1.765 0.01 . 2 . . . . 86 LYS HD2 . 11062 1 561 . 1 1 64 64 LYS HE2 H 1 3.042 0.01 . 2 . . . . 86 LYS HE2 . 11062 1 562 . 1 1 64 64 LYS HG2 H 1 1.504 0.01 . 2 . . . . 86 LYS HG2 . 11062 1 563 . 1 1 64 64 LYS CA C 13 58.497 0.2 . 1 . . . . 86 LYS CA . 11062 1 564 . 1 1 64 64 LYS CB C 13 30.202 0.2 . 1 . . . . 86 LYS CB . 11062 1 565 . 1 1 64 64 LYS CD C 13 29.165 0.2 . 1 . . . . 86 LYS CD . 11062 1 566 . 1 1 64 64 LYS CE C 13 41.881 0.2 . 1 . . . . 86 LYS CE . 11062 1 567 . 1 1 64 64 LYS CG C 13 25.442 0.2 . 1 . . . . 86 LYS CG . 11062 1 568 . 1 1 64 64 LYS N N 15 127.634 0.2 . 1 . . . . 86 LYS N . 11062 1 569 . 1 1 65 65 ASN H H 1 8.648 0.01 . 1 . . . . 87 ASN H . 11062 1 570 . 1 1 65 65 ASN HA H 1 4.5 0.01 . 1 . . . . 87 ASN HA . 11062 1 571 . 1 1 65 65 ASN HB2 H 1 2.867 0.01 . 2 . . . . 87 ASN HB2 . 11062 1 572 . 1 1 65 65 ASN HB3 H 1 3.076 0.01 . 2 . . . . 87 ASN HB3 . 11062 1 573 . 1 1 65 65 ASN HD21 H 1 6.944 0.01 . 2 . . . . 87 ASN HD21 . 11062 1 574 . 1 1 65 65 ASN HD22 H 1 7.592 0.01 . 2 . . . . 87 ASN HD22 . 11062 1 575 . 1 1 65 65 ASN CA C 13 54.059 0.2 . 1 . . . . 87 ASN CA . 11062 1 576 . 1 1 65 65 ASN CB C 13 38.861 0.2 . 1 . . . . 87 ASN CB . 11062 1 577 . 1 1 65 65 ASN N N 15 113.645 0.2 . 1 . . . . 87 ASN N . 11062 1 578 . 1 1 65 65 ASN ND2 N 15 112.131 0.2 . 1 . . . . 87 ASN ND2 . 11062 1 579 . 1 1 66 66 GLN H H 1 8.009 0.01 . 1 . . . . 88 GLN H . 11062 1 580 . 1 1 66 66 GLN HA H 1 4.72 0.01 . 1 . . . . 88 GLN HA . 11062 1 581 . 1 1 66 66 GLN HB2 H 1 2.008 0.01 . 2 . . . . 88 GLN HB2 . 11062 1 582 . 1 1 66 66 GLN HB3 H 1 2.139 0.01 . 2 . . . . 88 GLN HB3 . 11062 1 583 . 1 1 66 66 GLN HE21 H 1 6.855 0.01 . 2 . . . . 88 GLN HE21 . 11062 1 584 . 1 1 66 66 GLN HE22 H 1 7.533 0.01 . 2 . . . . 88 GLN HE22 . 11062 1 585 . 1 1 66 66 GLN HG2 H 1 2.403 0.01 . 2 . . . . 88 GLN HG2 . 11062 1 586 . 1 1 66 66 GLN CA C 13 53.951 0.2 . 1 . . . . 88 GLN CA . 11062 1 587 . 1 1 66 66 GLN CB C 13 32.36 0.2 . 1 . . . . 88 GLN CB . 11062 1 588 . 1 1 66 66 GLN CG C 13 33.348 0.2 . 1 . . . . 88 GLN CG . 11062 1 589 . 1 1 66 66 GLN N N 15 118.506 0.2 . 1 . . . . 88 GLN N . 11062 1 590 . 1 1 66 66 GLN NE2 N 15 111.559 0.2 . 1 . . . . 88 GLN NE2 . 11062 1 591 . 1 1 67 67 CYS H H 1 8.712 0.01 . 1 . . . . 89 CYS H . 11062 1 592 . 1 1 67 67 CYS HA H 1 5.398 0.01 . 1 . . . . 89 CYS HA . 11062 1 593 . 1 1 67 67 CYS HB2 H 1 2.704 0.01 . 2 . . . . 89 CYS HB2 . 11062 1 594 . 1 1 67 67 CYS HB3 H 1 2.832 0.01 . 2 . . . . 89 CYS HB3 . 11062 1 595 . 1 1 67 67 CYS CA C 13 52.821 0.2 . 1 . . . . 89 CYS CA . 11062 1 596 . 1 1 67 67 CYS CB C 13 36.78 0.2 . 1 . . . . 89 CYS CB . 11062 1 597 . 1 1 67 67 CYS N N 15 119.694 0.2 . 1 . . . . 89 CYS N . 11062 1 598 . 1 1 68 68 GLU H H 1 9.083 0.01 . 1 . . . . 90 GLU H . 11062 1 599 . 1 1 68 68 GLU HA H 1 4.568 0.01 . 1 . . . . 90 GLU HA . 11062 1 600 . 1 1 68 68 GLU HB2 H 1 1.244 0.01 . 2 . . . . 90 GLU HB2 . 11062 1 601 . 1 1 68 68 GLU HB3 H 1 1.613 0.01 . 2 . . . . 90 GLU HB3 . 11062 1 602 . 1 1 68 68 GLU HG2 H 1 2.144 0.01 . 2 . . . . 90 GLU HG2 . 11062 1 603 . 1 1 68 68 GLU CA C 13 54.905 0.2 . 1 . . . . 90 GLU CA . 11062 1 604 . 1 1 68 68 GLU CB C 13 33.372 0.2 . 1 . . . . 90 GLU CB . 11062 1 605 . 1 1 68 68 GLU CG C 13 36.168 0.2 . 1 . . . . 90 GLU CG . 11062 1 606 . 1 1 68 68 GLU N N 15 126.906 0.2 . 1 . . . . 90 GLU N . 11062 1 607 . 1 1 69 69 THR H H 1 8.233 0.01 . 1 . . . . 91 THR H . 11062 1 608 . 1 1 69 69 THR HA H 1 5.721 0.01 . 1 . . . . 91 THR HA . 11062 1 609 . 1 1 69 69 THR HB H 1 3.82 0.01 . 1 . . . . 91 THR HB . 11062 1 610 . 1 1 69 69 THR HG21 H 1 1.11 0.01 . 1 . . . . 91 THR HG21 . 11062 1 611 . 1 1 69 69 THR HG22 H 1 1.11 0.01 . 1 . . . . 91 THR HG22 . 11062 1 612 . 1 1 69 69 THR HG23 H 1 1.11 0.01 . 1 . . . . 91 THR HG23 . 11062 1 613 . 1 1 69 69 THR CA C 13 60.732 0.2 . 1 . . . . 91 THR CA . 11062 1 614 . 1 1 69 69 THR CB C 13 71.796 0.2 . 1 . . . . 91 THR CB . 11062 1 615 . 1 1 69 69 THR CG2 C 13 21.65 0.2 . 1 . . . . 91 THR CG2 . 11062 1 616 . 1 1 69 69 THR N N 15 115.413 0.2 . 1 . . . . 91 THR N . 11062 1 617 . 1 1 70 70 LYS H H 1 9.232 0.01 . 1 . . . . 92 LYS H . 11062 1 618 . 1 1 70 70 LYS HA H 1 4.847 0.01 . 1 . . . . 92 LYS HA . 11062 1 619 . 1 1 70 70 LYS HB2 H 1 1.945 0.01 . 2 . . . . 92 LYS HB2 . 11062 1 620 . 1 1 70 70 LYS HD2 H 1 1.75 0.01 . 2 . . . . 92 LYS HD2 . 11062 1 621 . 1 1 70 70 LYS HE2 H 1 2.894 0.01 . 2 . . . . 92 LYS HE2 . 11062 1 622 . 1 1 70 70 LYS HG2 H 1 1.455 0.01 . 2 . . . . 92 LYS HG2 . 11062 1 623 . 1 1 70 70 LYS HG3 H 1 1.56 0.01 . 2 . . . . 92 LYS HG3 . 11062 1 624 . 1 1 70 70 LYS CA C 13 54.766 0.2 . 1 . . . . 92 LYS CA . 11062 1 625 . 1 1 70 70 LYS CB C 13 36.982 0.2 . 1 . . . . 92 LYS CB . 11062 1 626 . 1 1 70 70 LYS CD C 13 29.019 0.2 . 1 . . . . 92 LYS CD . 11062 1 627 . 1 1 70 70 LYS CE C 13 41.916 0.2 . 1 . . . . 92 LYS CE . 11062 1 628 . 1 1 70 70 LYS CG C 13 24.952 0.2 . 1 . . . . 92 LYS CG . 11062 1 629 . 1 1 70 70 LYS N N 15 125.378 0.2 . 1 . . . . 92 LYS N . 11062 1 630 . 1 1 71 71 ILE H H 1 8.751 0.01 . 1 . . . . 93 ILE H . 11062 1 631 . 1 1 71 71 ILE HA H 1 5.101 0.01 . 1 . . . . 93 ILE HA . 11062 1 632 . 1 1 71 71 ILE HB H 1 1.702 0.01 . 1 . . . . 93 ILE HB . 11062 1 633 . 1 1 71 71 ILE HD11 H 1 0.873 0.01 . 1 . . . . 93 ILE HD11 . 11062 1 634 . 1 1 71 71 ILE HD12 H 1 0.873 0.01 . 1 . . . . 93 ILE HD12 . 11062 1 635 . 1 1 71 71 ILE HD13 H 1 0.873 0.01 . 1 . . . . 93 ILE HD13 . 11062 1 636 . 1 1 71 71 ILE HG12 H 1 1.214 0.01 . 2 . . . . 93 ILE HG12 . 11062 1 637 . 1 1 71 71 ILE HG13 H 1 1.535 0.01 . 2 . . . . 93 ILE HG13 . 11062 1 638 . 1 1 71 71 ILE HG21 H 1 0.811 0.01 . 1 . . . . 93 ILE HG21 . 11062 1 639 . 1 1 71 71 ILE HG22 H 1 0.811 0.01 . 1 . . . . 93 ILE HG22 . 11062 1 640 . 1 1 71 71 ILE HG23 H 1 0.811 0.01 . 1 . . . . 93 ILE HG23 . 11062 1 641 . 1 1 71 71 ILE CA C 13 60.391 0.2 . 1 . . . . 93 ILE CA . 11062 1 642 . 1 1 71 71 ILE CB C 13 40.534 0.2 . 1 . . . . 93 ILE CB . 11062 1 643 . 1 1 71 71 ILE CD1 C 13 13.942 0.2 . 1 . . . . 93 ILE CD1 . 11062 1 644 . 1 1 71 71 ILE CG1 C 13 28.269 0.2 . 1 . . . . 93 ILE CG1 . 11062 1 645 . 1 1 71 71 ILE CG2 C 13 17.36 0.2 . 1 . . . . 93 ILE CG2 . 11062 1 646 . 1 1 71 71 ILE N N 15 124.29 0.2 . 1 . . . . 93 ILE N . 11062 1 647 . 1 1 72 72 MET H H 1 9.003 0.01 . 1 . . . . 94 MET H . 11062 1 648 . 1 1 72 72 MET HA H 1 4.775 0.01 . 1 . . . . 94 MET HA . 11062 1 649 . 1 1 72 72 MET HB2 H 1 1.817 0.01 . 2 . . . . 94 MET HB2 . 11062 1 650 . 1 1 72 72 MET HG2 H 1 2.202 0.01 . 2 . . . . 94 MET HG2 . 11062 1 651 . 1 1 72 72 MET CA C 13 54.673 0.2 . 1 . . . . 94 MET CA . 11062 1 652 . 1 1 72 72 MET CB C 13 36.889 0.2 . 1 . . . . 94 MET CB . 11062 1 653 . 1 1 72 72 MET CG C 13 31.294 0.2 . 1 . . . . 94 MET CG . 11062 1 654 . 1 1 72 72 MET N N 15 127.651 0.2 . 1 . . . . 94 MET N . 11062 1 655 . 1 1 73 73 VAL H H 1 8.607 0.01 . 1 . . . . 95 VAL H . 11062 1 656 . 1 1 73 73 VAL HA H 1 4.74 0.01 . 1 . . . . 95 VAL HA . 11062 1 657 . 1 1 73 73 VAL HB H 1 2.082 0.01 . 1 . . . . 95 VAL HB . 11062 1 658 . 1 1 73 73 VAL HG11 H 1 1.032 0.01 . 2 . . . . 95 VAL HG11 . 11062 1 659 . 1 1 73 73 VAL HG12 H 1 1.032 0.01 . 2 . . . . 95 VAL HG12 . 11062 1 660 . 1 1 73 73 VAL HG13 H 1 1.032 0.01 . 2 . . . . 95 VAL HG13 . 11062 1 661 . 1 1 73 73 VAL CA C 13 62.08 0.2 . 1 . . . . 95 VAL CA . 11062 1 662 . 1 1 73 73 VAL CB C 13 33.333 0.2 . 1 . . . . 95 VAL CB . 11062 1 663 . 1 1 73 73 VAL CG1 C 13 21.019 0.2 . 2 . . . . 95 VAL CG1 . 11062 1 664 . 1 1 73 73 VAL N N 15 125.436 0.2 . 1 . . . . 95 VAL N . 11062 1 665 . 1 1 74 74 LEU H H 1 9.278 0.01 . 1 . . . . 96 LEU H . 11062 1 666 . 1 1 74 74 LEU HA H 1 5.089 0.01 . 1 . . . . 96 LEU HA . 11062 1 667 . 1 1 74 74 LEU HB2 H 1 1.427 0.01 . 2 . . . . 96 LEU HB2 . 11062 1 668 . 1 1 74 74 LEU CA C 13 53.117 0.2 . 1 . . . . 96 LEU CA . 11062 1 669 . 1 1 74 74 LEU CB C 13 42.342 0.2 . 1 . . . . 96 LEU CB . 11062 1 670 . 1 1 74 74 LEU N N 15 127.76 0.2 . 1 . . . . 96 LEU N . 11062 1 671 . 1 1 75 75 GLN H H 1 9.28 0.01 . 1 . . . . 97 GLN H . 11062 1 672 . 1 1 75 75 GLN HA H 1 5.018 0.01 . 1 . . . . 97 GLN HA . 11062 1 673 . 1 1 75 75 GLN HB2 H 1 2.177 0.01 . 2 . . . . 97 GLN HB2 . 11062 1 674 . 1 1 75 75 GLN HG2 H 1 2.485 0.01 . 2 . . . . 97 GLN HG2 . 11062 1 675 . 1 1 75 75 GLN CA C 13 53.326 0.2 . 1 . . . . 97 GLN CA . 11062 1 676 . 1 1 75 75 GLN CB C 13 29.255 0.2 . 1 . . . . 97 GLN CB . 11062 1 677 . 1 1 75 75 GLN CG C 13 33.631 0.2 . 1 . . . . 97 GLN CG . 11062 1 678 . 1 1 75 75 GLN N N 15 125.135 0.2 . 1 . . . . 97 GLN N . 11062 1 679 . 1 1 76 76 PRO HA H 1 4.407 0.01 . 1 . . . . 98 PRO HA . 11062 1 680 . 1 1 76 76 PRO HB2 H 1 2.068 0.01 . 2 . . . . 98 PRO HB2 . 11062 1 681 . 1 1 76 76 PRO HB3 H 1 2.415 0.01 . 2 . . . . 98 PRO HB3 . 11062 1 682 . 1 1 76 76 PRO CA C 13 64.216 0.2 . 1 . . . . 98 PRO CA . 11062 1 683 . 1 1 76 76 PRO CB C 13 32.365 0.2 . 1 . . . . 98 PRO CB . 11062 1 684 . 1 1 77 77 ALA H H 1 8.021 0.01 . 1 . . . . 99 ALA H . 11062 1 685 . 1 1 77 77 ALA HA H 1 4.691 0.01 . 1 . . . . 99 ALA HA . 11062 1 686 . 1 1 77 77 ALA HB1 H 1 1.128 0.01 . 1 . . . . 99 ALA HB1 . 11062 1 687 . 1 1 77 77 ALA HB2 H 1 1.128 0.01 . 1 . . . . 99 ALA HB2 . 11062 1 688 . 1 1 77 77 ALA HB3 H 1 1.128 0.01 . 1 . . . . 99 ALA HB3 . 11062 1 689 . 1 1 77 77 ALA CA C 13 50.927 0.2 . 1 . . . . 99 ALA CA . 11062 1 690 . 1 1 77 77 ALA CB C 13 20.003 0.2 . 1 . . . . 99 ALA CB . 11062 1 691 . 1 1 77 77 ALA N N 15 126.607 0.2 . 1 . . . . 99 ALA N . 11062 1 692 . 1 1 78 78 GLY H H 1 8.185 0.01 . 1 . . . . 100 GLY H . 11062 1 693 . 1 1 78 78 GLY HA2 H 1 3.56 0.01 . 2 . . . . 100 GLY HA2 . 11062 1 694 . 1 1 78 78 GLY HA3 H 1 4.211 0.01 . 2 . . . . 100 GLY HA3 . 11062 1 695 . 1 1 78 78 GLY CA C 13 45.692 0.2 . 1 . . . . 100 GLY CA . 11062 1 696 . 1 1 78 78 GLY N N 15 109.388 0.2 . 1 . . . . 100 GLY N . 11062 1 697 . 1 1 79 79 ALA H H 1 8.074 0.01 . 1 . . . . 101 ALA H . 11062 1 698 . 1 1 79 79 ALA HA H 1 4.624 0.01 . 1 . . . . 101 ALA HA . 11062 1 699 . 1 1 79 79 ALA HB1 H 1 1.3 0.01 . 1 . . . . 101 ALA HB1 . 11062 1 700 . 1 1 79 79 ALA HB2 H 1 1.3 0.01 . 1 . . . . 101 ALA HB2 . 11062 1 701 . 1 1 79 79 ALA HB3 H 1 1.3 0.01 . 1 . . . . 101 ALA HB3 . 11062 1 702 . 1 1 79 79 ALA CA C 13 50.576 0.2 . 1 . . . . 101 ALA CA . 11062 1 703 . 1 1 79 79 ALA CB C 13 18.277 0.2 . 1 . . . . 101 ALA CB . 11062 1 704 . 1 1 79 79 ALA N N 15 126.934 0.2 . 1 . . . . 101 ALA N . 11062 1 705 . 1 1 80 80 PRO HA H 1 4.425 0.01 . 1 . . . . 102 PRO HA . 11062 1 706 . 1 1 80 80 PRO HB2 H 1 2.569 0.01 . 2 . . . . 102 PRO HB2 . 11062 1 707 . 1 1 80 80 PRO CA C 13 63.915 0.2 . 1 . . . . 102 PRO CA . 11062 1 708 . 1 1 80 80 PRO CB C 13 32.093 0.2 . 1 . . . . 102 PRO CB . 11062 1 709 . 1 1 80 80 PRO CD C 13 50.566 0.2 . 1 . . . . 102 PRO CD . 11062 1 710 . 1 1 80 80 PRO CG C 13 28.112 0.2 . 1 . . . . 102 PRO CG . 11062 1 711 . 1 1 81 81 GLY H H 1 8.227 0.01 . 1 . . . . 103 GLY H . 11062 1 712 . 1 1 81 81 GLY HA2 H 1 2.428 0.01 . 2 . . . . 103 GLY HA2 . 11062 1 713 . 1 1 81 81 GLY HA3 H 1 3.673 0.01 . 2 . . . . 103 GLY HA3 . 11062 1 714 . 1 1 81 81 GLY CA C 13 44.671 0.2 . 1 . . . . 103 GLY CA . 11062 1 715 . 1 1 81 81 GLY N N 15 111.362 0.2 . 1 . . . . 103 GLY N . 11062 1 716 . 1 1 82 82 HIS H H 1 7.61 0.01 . 1 . . . . 104 HIS H . 11062 1 717 . 1 1 82 82 HIS HA H 1 5.169 0.01 . 1 . . . . 104 HIS HA . 11062 1 718 . 1 1 82 82 HIS HB2 H 1 2.949 0.01 . 2 . . . . 104 HIS HB2 . 11062 1 719 . 1 1 82 82 HIS HB3 H 1 3.266 0.01 . 2 . . . . 104 HIS HB3 . 11062 1 720 . 1 1 82 82 HIS HD1 H 1 7.338 0.01 . 1 . . . . 104 HIS HD1 . 11062 1 721 . 1 1 82 82 HIS CA C 13 54.457 0.2 . 1 . . . . 104 HIS CA . 11062 1 722 . 1 1 82 82 HIS CB C 13 29.867 0.2 . 1 . . . . 104 HIS CB . 11062 1 723 . 1 1 82 82 HIS CD2 C 13 120.224 0.2 . 1 . . . . 104 HIS CD2 . 11062 1 724 . 1 1 82 82 HIS N N 15 117.393 0.2 . 1 . . . . 104 HIS N . 11062 1 725 . 1 1 83 83 TYR H H 1 9.164 0.01 . 1 . . . . 105 TYR H . 11062 1 726 . 1 1 83 83 TYR HA H 1 5.465 0.01 . 1 . . . . 105 TYR HA . 11062 1 727 . 1 1 83 83 TYR HB2 H 1 2.442 0.01 . 2 . . . . 105 TYR HB2 . 11062 1 728 . 1 1 83 83 TYR HB3 H 1 3.14 0.01 . 2 . . . . 105 TYR HB3 . 11062 1 729 . 1 1 83 83 TYR HD1 H 1 6.613 0.01 . 3 . . . . 105 TYR HD1 . 11062 1 730 . 1 1 83 83 TYR CA C 13 56.894 0.2 . 1 . . . . 105 TYR CA . 11062 1 731 . 1 1 83 83 TYR CB C 13 44.686 0.2 . 1 . . . . 105 TYR CB . 11062 1 732 . 1 1 83 83 TYR CD1 C 13 133.488 0.2 . 3 . . . . 105 TYR CD1 . 11062 1 733 . 1 1 83 83 TYR N N 15 122.473 0.2 . 1 . . . . 105 TYR N . 11062 1 734 . 1 1 84 84 THR H H 1 9.475 0.01 . 1 . . . . 106 THR H . 11062 1 735 . 1 1 84 84 THR HA H 1 5.439 0.01 . 1 . . . . 106 THR HA . 11062 1 736 . 1 1 84 84 THR HB H 1 4.125 0.01 . 1 . . . . 106 THR HB . 11062 1 737 . 1 1 84 84 THR HG21 H 1 1.131 0.01 . 1 . . . . 106 THR HG21 . 11062 1 738 . 1 1 84 84 THR HG22 H 1 1.131 0.01 . 1 . . . . 106 THR HG22 . 11062 1 739 . 1 1 84 84 THR HG23 H 1 1.131 0.01 . 1 . . . . 106 THR HG23 . 11062 1 740 . 1 1 84 84 THR CA C 13 60.469 0.2 . 1 . . . . 106 THR CA . 11062 1 741 . 1 1 84 84 THR CB C 13 72.344 0.2 . 1 . . . . 106 THR CB . 11062 1 742 . 1 1 84 84 THR CG2 C 13 21.599 0.2 . 1 . . . . 106 THR CG2 . 11062 1 743 . 1 1 84 84 THR N N 15 112.202 0.2 . 1 . . . . 106 THR N . 11062 1 744 . 1 1 85 85 TYR H H 1 8.723 0.01 . 1 . . . . 107 TYR H . 11062 1 745 . 1 1 85 85 TYR HA H 1 5.239 0.01 . 1 . . . . 107 TYR HA . 11062 1 746 . 1 1 85 85 TYR HB2 H 1 2.771 0.01 . 2 . . . . 107 TYR HB2 . 11062 1 747 . 1 1 85 85 TYR HB3 H 1 3.02 0.01 . 2 . . . . 107 TYR HB3 . 11062 1 748 . 1 1 85 85 TYR HD1 H 1 6.944 0.01 . 3 . . . . 107 TYR HD1 . 11062 1 749 . 1 1 85 85 TYR CA C 13 56.392 0.2 . 1 . . . . 107 TYR CA . 11062 1 750 . 1 1 85 85 TYR CB C 13 41.653 0.2 . 1 . . . . 107 TYR CB . 11062 1 751 . 1 1 85 85 TYR N N 15 118.519 0.2 . 1 . . . . 107 TYR N . 11062 1 752 . 1 1 86 86 SER H H 1 8.509 0.01 . 1 . . . . 108 SER H . 11062 1 753 . 1 1 86 86 SER HA H 1 4.564 0.01 . 1 . . . . 108 SER HA . 11062 1 754 . 1 1 86 86 SER HB2 H 1 3.606 0.01 . 2 . . . . 108 SER HB2 . 11062 1 755 . 1 1 86 86 SER CA C 13 56.42 0.2 . 1 . . . . 108 SER CA . 11062 1 756 . 1 1 86 86 SER CB C 13 63.939 0.2 . 1 . . . . 108 SER CB . 11062 1 757 . 1 1 86 86 SER N N 15 120.384 0.2 . 1 . . . . 108 SER N . 11062 1 758 . 1 1 87 87 SER H H 1 8.155 0.01 . 1 . . . . 109 SER H . 11062 1 759 . 1 1 87 87 SER HA H 1 4.519 0.01 . 1 . . . . 109 SER HA . 11062 1 760 . 1 1 87 87 SER HB2 H 1 3.588 0.01 . 2 . . . . 109 SER HB2 . 11062 1 761 . 1 1 87 87 SER HB3 H 1 3.707 0.01 . 2 . . . . 109 SER HB3 . 11062 1 762 . 1 1 87 87 SER CA C 13 56.046 0.2 . 1 . . . . 109 SER CA . 11062 1 763 . 1 1 87 87 SER CB C 13 63.145 0.2 . 1 . . . . 109 SER CB . 11062 1 764 . 1 1 87 87 SER N N 15 120.949 0.2 . 1 . . . . 109 SER N . 11062 1 765 . 1 1 88 88 PRO HA H 1 4.287 0.01 . 1 . . . . 110 PRO HA . 11062 1 766 . 1 1 88 88 PRO HB2 H 1 1.699 0.01 . 2 . . . . 110 PRO HB2 . 11062 1 767 . 1 1 88 88 PRO CA C 13 64.081 0.2 . 1 . . . . 110 PRO CA . 11062 1 768 . 1 1 88 88 PRO CB C 13 32.049 0.2 . 1 . . . . 110 PRO CB . 11062 1 769 . 1 1 88 88 PRO CD C 13 51.043 0.2 . 1 . . . . 110 PRO CD . 11062 1 770 . 1 1 88 88 PRO CG C 13 27.436 0.2 . 1 . . . . 110 PRO CG . 11062 1 771 . 1 1 89 89 HIS H H 1 8.535 0.01 . 1 . . . . 111 HIS H . 11062 1 772 . 1 1 89 89 HIS HA H 1 4.421 0.01 . 1 . . . . 111 HIS HA . 11062 1 773 . 1 1 89 89 HIS HB2 H 1 3.269 0.01 . 2 . . . . 111 HIS HB2 . 11062 1 774 . 1 1 89 89 HIS CA C 13 56.683 0.2 . 1 . . . . 111 HIS CA . 11062 1 775 . 1 1 89 89 HIS CB C 13 27.859 0.2 . 1 . . . . 111 HIS CB . 11062 1 776 . 1 1 89 89 HIS N N 15 115.372 0.2 . 1 . . . . 111 HIS N . 11062 1 777 . 1 1 90 90 SER H H 1 8.012 0.01 . 1 . . . . 112 SER H . 11062 1 778 . 1 1 90 90 SER HA H 1 4.422 0.01 . 1 . . . . 112 SER HA . 11062 1 779 . 1 1 90 90 SER HB2 H 1 3.788 0.01 . 2 . . . . 112 SER HB2 . 11062 1 780 . 1 1 90 90 SER HB3 H 1 3.896 0.01 . 2 . . . . 112 SER HB3 . 11062 1 781 . 1 1 90 90 SER CA C 13 58.586 0.2 . 1 . . . . 112 SER CA . 11062 1 782 . 1 1 90 90 SER CB C 13 64.405 0.2 . 1 . . . . 112 SER CB . 11062 1 783 . 1 1 90 90 SER N N 15 112.865 0.2 . 1 . . . . 112 SER N . 11062 1 784 . 1 1 91 91 GLY H H 1 8.239 0.01 . 1 . . . . 113 GLY H . 11062 1 785 . 1 1 91 91 GLY HA2 H 1 3.911 0.01 . 2 . . . . 113 GLY HA2 . 11062 1 786 . 1 1 91 91 GLY HA3 H 1 3.966 0.01 . 2 . . . . 113 GLY HA3 . 11062 1 787 . 1 1 91 91 GLY CA C 13 45.627 0.2 . 1 . . . . 113 GLY CA . 11062 1 788 . 1 1 91 91 GLY N N 15 110.848 0.2 . 1 . . . . 113 GLY N . 11062 1 789 . 1 1 92 92 SER H H 1 7.757 0.01 . 1 . . . . 114 SER H . 11062 1 790 . 1 1 92 92 SER HA H 1 4.518 0.01 . 1 . . . . 114 SER HA . 11062 1 791 . 1 1 92 92 SER HB2 H 1 3.702 0.01 . 2 . . . . 114 SER HB2 . 11062 1 792 . 1 1 92 92 SER CA C 13 58.132 0.2 . 1 . . . . 114 SER CA . 11062 1 793 . 1 1 92 92 SER CB C 13 64.34 0.2 . 1 . . . . 114 SER CB . 11062 1 794 . 1 1 92 92 SER N N 15 114.404 0.2 . 1 . . . . 114 SER N . 11062 1 795 . 1 1 93 93 ILE H H 1 8.456 0.01 . 1 . . . . 115 ILE H . 11062 1 796 . 1 1 93 93 ILE HA H 1 4.412 0.01 . 1 . . . . 115 ILE HA . 11062 1 797 . 1 1 93 93 ILE HB H 1 1.75 0.01 . 1 . . . . 115 ILE HB . 11062 1 798 . 1 1 93 93 ILE HD11 H 1 0.796 0.01 . 1 . . . . 115 ILE HD11 . 11062 1 799 . 1 1 93 93 ILE HD12 H 1 0.796 0.01 . 1 . . . . 115 ILE HD12 . 11062 1 800 . 1 1 93 93 ILE HD13 H 1 0.796 0.01 . 1 . . . . 115 ILE HD13 . 11062 1 801 . 1 1 93 93 ILE HG12 H 1 1.13 0.01 . 2 . . . . 115 ILE HG12 . 11062 1 802 . 1 1 93 93 ILE HG13 H 1 1.494 0.01 . 2 . . . . 115 ILE HG13 . 11062 1 803 . 1 1 93 93 ILE HG21 H 1 0.841 0.01 . 1 . . . . 115 ILE HG21 . 11062 1 804 . 1 1 93 93 ILE HG22 H 1 0.841 0.01 . 1 . . . . 115 ILE HG22 . 11062 1 805 . 1 1 93 93 ILE HG23 H 1 0.841 0.01 . 1 . . . . 115 ILE HG23 . 11062 1 806 . 1 1 93 93 ILE CA C 13 60.573 0.2 . 1 . . . . 115 ILE CA . 11062 1 807 . 1 1 93 93 ILE CB C 13 39.061 0.2 . 1 . . . . 115 ILE CB . 11062 1 808 . 1 1 93 93 ILE CD1 C 13 12.417 0.2 . 1 . . . . 115 ILE CD1 . 11062 1 809 . 1 1 93 93 ILE CG1 C 13 27.414 0.2 . 1 . . . . 115 ILE CG1 . 11062 1 810 . 1 1 93 93 ILE CG2 C 13 17.465 0.2 . 1 . . . . 115 ILE CG2 . 11062 1 811 . 1 1 93 93 ILE N N 15 124.873 0.2 . 1 . . . . 115 ILE N . 11062 1 812 . 1 1 94 94 HIS H H 1 8.994 0.01 . 1 . . . . 116 HIS H . 11062 1 813 . 1 1 94 94 HIS HA H 1 5.309 0.01 . 1 . . . . 116 HIS HA . 11062 1 814 . 1 1 94 94 HIS CA C 13 53.919 0.2 . 1 . . . . 116 HIS CA . 11062 1 815 . 1 1 94 94 HIS CB C 13 27.883 0.2 . 1 . . . . 116 HIS CB . 11062 1 816 . 1 1 94 94 HIS N N 15 125.591 0.2 . 1 . . . . 116 HIS N . 11062 1 817 . 1 1 95 95 SER H H 1 9.153 0.01 . 1 . . . . 117 SER H . 11062 1 818 . 1 1 95 95 SER HA H 1 5.101 0.01 . 1 . . . . 117 SER HA . 11062 1 819 . 1 1 95 95 SER HB2 H 1 3.918 0.01 . 2 . . . . 117 SER HB2 . 11062 1 820 . 1 1 95 95 SER CA C 13 57.114 0.2 . 1 . . . . 117 SER CA . 11062 1 821 . 1 1 95 95 SER CB C 13 64.43 0.2 . 1 . . . . 117 SER CB . 11062 1 822 . 1 1 95 95 SER N N 15 117.598 0.2 . 1 . . . . 117 SER N . 11062 1 823 . 1 1 96 96 VAL H H 1 9.055 0.01 . 1 . . . . 118 VAL H . 11062 1 824 . 1 1 96 96 VAL HA H 1 5.009 0.01 . 1 . . . . 118 VAL HA . 11062 1 825 . 1 1 96 96 VAL HG11 H 1 0.815 0.01 . 2 . . . . 118 VAL HG11 . 11062 1 826 . 1 1 96 96 VAL HG12 H 1 0.815 0.01 . 2 . . . . 118 VAL HG12 . 11062 1 827 . 1 1 96 96 VAL HG13 H 1 0.815 0.01 . 2 . . . . 118 VAL HG13 . 11062 1 828 . 1 1 96 96 VAL CA C 13 61.453 0.2 . 1 . . . . 118 VAL CA . 11062 1 829 . 1 1 96 96 VAL CB C 13 35.098 0.2 . 1 . . . . 118 VAL CB . 11062 1 830 . 1 1 96 96 VAL CG1 C 13 20.733 0.2 . 2 . . . . 118 VAL CG1 . 11062 1 831 . 1 1 96 96 VAL N N 15 126.585 0.2 . 1 . . . . 118 VAL N . 11062 1 832 . 1 1 97 97 SER H H 1 9.032 0.01 . 1 . . . . 119 SER H . 11062 1 833 . 1 1 97 97 SER HA H 1 5.543 0.01 . 1 . . . . 119 SER HA . 11062 1 834 . 1 1 97 97 SER HB2 H 1 3.724 0.01 . 2 . . . . 119 SER HB2 . 11062 1 835 . 1 1 97 97 SER CA C 13 56.29 0.2 . 1 . . . . 119 SER CA . 11062 1 836 . 1 1 97 97 SER CB C 13 65.799 0.2 . 1 . . . . 119 SER CB . 11062 1 837 . 1 1 97 97 SER N N 15 121.395 0.2 . 1 . . . . 119 SER N . 11062 1 838 . 1 1 98 98 VAL H H 1 8.402 0.01 . 1 . . . . 120 VAL H . 11062 1 839 . 1 1 98 98 VAL HA H 1 4.027 0.01 . 1 . . . . 120 VAL HA . 11062 1 840 . 1 1 98 98 VAL HB H 1 1.391 0.01 . 1 . . . . 120 VAL HB . 11062 1 841 . 1 1 98 98 VAL HG11 H 1 0.179 0.01 . 2 . . . . 120 VAL HG11 . 11062 1 842 . 1 1 98 98 VAL HG12 H 1 0.179 0.01 . 2 . . . . 120 VAL HG12 . 11062 1 843 . 1 1 98 98 VAL HG13 H 1 0.179 0.01 . 2 . . . . 120 VAL HG13 . 11062 1 844 . 1 1 98 98 VAL HG21 H 1 0.394 0.01 . 2 . . . . 120 VAL HG21 . 11062 1 845 . 1 1 98 98 VAL HG22 H 1 0.394 0.01 . 2 . . . . 120 VAL HG22 . 11062 1 846 . 1 1 98 98 VAL HG23 H 1 0.394 0.01 . 2 . . . . 120 VAL HG23 . 11062 1 847 . 1 1 98 98 VAL CA C 13 62.212 0.2 . 1 . . . . 120 VAL CA . 11062 1 848 . 1 1 98 98 VAL CB C 13 29.25 0.2 . 1 . . . . 120 VAL CB . 11062 1 849 . 1 1 98 98 VAL CG1 C 13 18.674 0.2 . 2 . . . . 120 VAL CG1 . 11062 1 850 . 1 1 98 98 VAL CG2 C 13 21.332 0.2 . 2 . . . . 120 VAL CG2 . 11062 1 851 . 1 1 98 98 VAL N N 15 124.771 0.2 . 1 . . . . 120 VAL N . 11062 1 852 . 1 1 99 99 VAL H H 1 8.361 0.01 . 1 . . . . 121 VAL H . 11062 1 853 . 1 1 99 99 VAL HA H 1 3.723 0.01 . 1 . . . . 121 VAL HA . 11062 1 854 . 1 1 99 99 VAL HB H 1 1.692 0.01 . 1 . . . . 121 VAL HB . 11062 1 855 . 1 1 99 99 VAL HG11 H 1 0.905 0.01 . 2 . . . . 121 VAL HG11 . 11062 1 856 . 1 1 99 99 VAL HG12 H 1 0.905 0.01 . 2 . . . . 121 VAL HG12 . 11062 1 857 . 1 1 99 99 VAL HG13 H 1 0.905 0.01 . 2 . . . . 121 VAL HG13 . 11062 1 858 . 1 1 99 99 VAL CA C 13 65.202 0.2 . 1 . . . . 121 VAL CA . 11062 1 859 . 1 1 99 99 VAL CB C 13 32.718 0.2 . 1 . . . . 121 VAL CB . 11062 1 860 . 1 1 99 99 VAL CG1 C 13 21.21 0.2 . 2 . . . . 121 VAL CG1 . 11062 1 861 . 1 1 99 99 VAL N N 15 128.844 0.2 . 1 . . . . 121 VAL N . 11062 1 862 . 1 1 100 100 GLU H H 1 7.188 0.01 . 1 . . . . 122 GLU H . 11062 1 863 . 1 1 100 100 GLU HA H 1 4.726 0.01 . 1 . . . . 122 GLU HA . 11062 1 864 . 1 1 100 100 GLU HB2 H 1 1.871 0.01 . 2 . . . . 122 GLU HB2 . 11062 1 865 . 1 1 100 100 GLU HB3 H 1 1.956 0.01 . 2 . . . . 122 GLU HB3 . 11062 1 866 . 1 1 100 100 GLU CA C 13 54.951 0.2 . 1 . . . . 122 GLU CA . 11062 1 867 . 1 1 100 100 GLU CB C 13 34.111 0.2 . 1 . . . . 122 GLU CB . 11062 1 868 . 1 1 100 100 GLU N N 15 113.832 0.2 . 1 . . . . 122 GLU N . 11062 1 869 . 1 1 101 101 ALA H H 1 8.708 0.01 . 1 . . . . 123 ALA H . 11062 1 870 . 1 1 101 101 ALA HA H 1 4.365 0.01 . 1 . . . . 123 ALA HA . 11062 1 871 . 1 1 101 101 ALA HB1 H 1 0.95 0.01 . 1 . . . . 123 ALA HB1 . 11062 1 872 . 1 1 101 101 ALA HB2 H 1 0.95 0.01 . 1 . . . . 123 ALA HB2 . 11062 1 873 . 1 1 101 101 ALA HB3 H 1 0.95 0.01 . 1 . . . . 123 ALA HB3 . 11062 1 874 . 1 1 101 101 ALA CA C 13 52.217 0.2 . 1 . . . . 123 ALA CA . 11062 1 875 . 1 1 101 101 ALA CB C 13 21.568 0.2 . 1 . . . . 123 ALA CB . 11062 1 876 . 1 1 101 101 ALA N N 15 124.349 0.2 . 1 . . . . 123 ALA N . 11062 1 877 . 1 1 105 105 GLU HA H 1 3.719 0.01 . 1 . . . . 127 GLU HA . 11062 1 878 . 1 1 105 105 GLU CA C 13 59.422 0.2 . 1 . . . . 127 GLU CA . 11062 1 879 . 1 1 105 105 GLU CB C 13 35.689 0.2 . 1 . . . . 127 GLU CB . 11062 1 880 . 1 1 106 106 TYR H H 1 9.359 0.01 . 1 . . . . 128 TYR H . 11062 1 881 . 1 1 106 106 TYR HA H 1 6.292 0.01 . 1 . . . . 128 TYR HA . 11062 1 882 . 1 1 106 106 TYR HB2 H 1 3.261 0.01 . 2 . . . . 128 TYR HB2 . 11062 1 883 . 1 1 106 106 TYR HD1 H 1 6.713 0.01 . 3 . . . . 128 TYR HD1 . 11062 1 884 . 1 1 106 106 TYR HE1 H 1 6.941 0.01 . 3 . . . . 128 TYR HE1 . 11062 1 885 . 1 1 106 106 TYR CA C 13 58.184 0.2 . 1 . . . . 128 TYR CA . 11062 1 886 . 1 1 106 106 TYR CB C 13 42.417 0.2 . 1 . . . . 128 TYR CB . 11062 1 887 . 1 1 106 106 TYR CD1 C 13 133.496 0.2 . 3 . . . . 128 TYR CD1 . 11062 1 888 . 1 1 106 106 TYR CE1 C 13 117.775 0.2 . 3 . . . . 128 TYR CE1 . 11062 1 889 . 1 1 106 106 TYR N N 15 118.441 0.2 . 1 . . . . 128 TYR N . 11062 1 890 . 1 1 107 107 ALA H H 1 9.057 0.01 . 1 . . . . 129 ALA H . 11062 1 891 . 1 1 107 107 ALA HA H 1 4.724 0.01 . 1 . . . . 129 ALA HA . 11062 1 892 . 1 1 107 107 ALA HB1 H 1 0.895 0.01 . 1 . . . . 129 ALA HB1 . 11062 1 893 . 1 1 107 107 ALA HB2 H 1 0.895 0.01 . 1 . . . . 129 ALA HB2 . 11062 1 894 . 1 1 107 107 ALA HB3 H 1 0.895 0.01 . 1 . . . . 129 ALA HB3 . 11062 1 895 . 1 1 107 107 ALA CA C 13 51.666 0.2 . 1 . . . . 129 ALA CA . 11062 1 896 . 1 1 107 107 ALA CB C 13 22.72 0.2 . 1 . . . . 129 ALA CB . 11062 1 897 . 1 1 107 107 ALA N N 15 120.309 0.2 . 1 . . . . 129 ALA N . 11062 1 898 . 1 1 108 108 LEU H H 1 8.889 0.01 . 1 . . . . 130 LEU H . 11062 1 899 . 1 1 108 108 LEU HA H 1 5.191 0.01 . 1 . . . . 130 LEU HA . 11062 1 900 . 1 1 108 108 LEU HB2 H 1 0.973 0.01 . 2 . . . . 130 LEU HB2 . 11062 1 901 . 1 1 108 108 LEU HB3 H 1 1.303 0.01 . 2 . . . . 130 LEU HB3 . 11062 1 902 . 1 1 108 108 LEU HD11 H 1 0.614 0.01 . 2 . . . . 130 LEU HD11 . 11062 1 903 . 1 1 108 108 LEU HD12 H 1 0.614 0.01 . 2 . . . . 130 LEU HD12 . 11062 1 904 . 1 1 108 108 LEU HD13 H 1 0.614 0.01 . 2 . . . . 130 LEU HD13 . 11062 1 905 . 1 1 108 108 LEU HD21 H 1 0.697 0.01 . 2 . . . . 130 LEU HD21 . 11062 1 906 . 1 1 108 108 LEU HD22 H 1 0.697 0.01 . 2 . . . . 130 LEU HD22 . 11062 1 907 . 1 1 108 108 LEU HD23 H 1 0.697 0.01 . 2 . . . . 130 LEU HD23 . 11062 1 908 . 1 1 108 108 LEU CA C 13 53.73 0.2 . 1 . . . . 130 LEU CA . 11062 1 909 . 1 1 108 108 LEU CB C 13 43.792 0.2 . 1 . . . . 130 LEU CB . 11062 1 910 . 1 1 108 108 LEU CD1 C 13 24.837 0.2 . 2 . . . . 130 LEU CD1 . 11062 1 911 . 1 1 108 108 LEU CD2 C 13 25.103 0.2 . 2 . . . . 130 LEU CD2 . 11062 1 912 . 1 1 108 108 LEU N N 15 122.798 0.2 . 1 . . . . 130 LEU N . 11062 1 913 . 1 1 109 109 LEU H H 1 9.168 0.01 . 1 . . . . 131 LEU H . 11062 1 914 . 1 1 109 109 LEU HA H 1 5.41 0.01 . 1 . . . . 131 LEU HA . 11062 1 915 . 1 1 109 109 LEU HB2 H 1 1.452 0.01 . 2 . . . . 131 LEU HB2 . 11062 1 916 . 1 1 109 109 LEU HB3 H 1 1.642 0.01 . 2 . . . . 131 LEU HB3 . 11062 1 917 . 1 1 109 109 LEU HD11 H 1 0.465 0.01 . 2 . . . . 131 LEU HD11 . 11062 1 918 . 1 1 109 109 LEU HD12 H 1 0.465 0.01 . 2 . . . . 131 LEU HD12 . 11062 1 919 . 1 1 109 109 LEU HD13 H 1 0.465 0.01 . 2 . . . . 131 LEU HD13 . 11062 1 920 . 1 1 109 109 LEU HD21 H 1 0.523 0.01 . 2 . . . . 131 LEU HD21 . 11062 1 921 . 1 1 109 109 LEU HD22 H 1 0.523 0.01 . 2 . . . . 131 LEU HD22 . 11062 1 922 . 1 1 109 109 LEU HD23 H 1 0.523 0.01 . 2 . . . . 131 LEU HD23 . 11062 1 923 . 1 1 109 109 LEU HG H 1 1.469 0.01 . 1 . . . . 131 LEU HG . 11062 1 924 . 1 1 109 109 LEU CA C 13 54.387 0.2 . 1 . . . . 131 LEU CA . 11062 1 925 . 1 1 109 109 LEU CB C 13 45.159 0.2 . 1 . . . . 131 LEU CB . 11062 1 926 . 1 1 109 109 LEU CD1 C 13 24.269 0.2 . 2 . . . . 131 LEU CD1 . 11062 1 927 . 1 1 109 109 LEU CD2 C 13 25.156 0.2 . 2 . . . . 131 LEU CD2 . 11062 1 928 . 1 1 109 109 LEU CG C 13 30.331 0.2 . 1 . . . . 131 LEU CG . 11062 1 929 . 1 1 109 109 LEU N N 15 126.359 0.2 . 1 . . . . 131 LEU N . 11062 1 930 . 1 1 110 110 PHE H H 1 9.15 0.01 . 1 . . . . 132 PHE H . 11062 1 931 . 1 1 110 110 PHE HA H 1 5.687 0.01 . 1 . . . . 132 PHE HA . 11062 1 932 . 1 1 110 110 PHE HB2 H 1 3.065 0.01 . 2 . . . . 132 PHE HB2 . 11062 1 933 . 1 1 110 110 PHE HD1 H 1 7.259 0.01 . 3 . . . . 132 PHE HD1 . 11062 1 934 . 1 1 110 110 PHE HE1 H 1 7.085 0.01 . 3 . . . . 132 PHE HE1 . 11062 1 935 . 1 1 110 110 PHE CA C 13 56.501 0.2 . 1 . . . . 132 PHE CA . 11062 1 936 . 1 1 110 110 PHE CB C 13 43.567 0.2 . 1 . . . . 132 PHE CB . 11062 1 937 . 1 1 110 110 PHE N N 15 120.892 0.2 . 1 . . . . 132 PHE N . 11062 1 938 . 1 1 111 111 SER H H 1 8.978 0.01 . 1 . . . . 133 SER H . 11062 1 939 . 1 1 111 111 SER HA H 1 5.702 0.01 . 1 . . . . 133 SER HA . 11062 1 940 . 1 1 111 111 SER HB2 H 1 3.786 0.01 . 2 . . . . 133 SER HB2 . 11062 1 941 . 1 1 111 111 SER CA C 13 55.789 0.2 . 1 . . . . 133 SER CA . 11062 1 942 . 1 1 111 111 SER CB C 13 65.521 0.2 . 1 . . . . 133 SER CB . 11062 1 943 . 1 1 111 111 SER N N 15 125.184 0.2 . 1 . . . . 133 SER N . 11062 1 944 . 1 1 112 112 ARG H H 1 8.581 0.01 . 1 . . . . 134 ARG H . 11062 1 945 . 1 1 112 112 ARG HA H 1 5.151 0.01 . 1 . . . . 134 ARG HA . 11062 1 946 . 1 1 112 112 ARG HB2 H 1 1.82 0.01 . 2 . . . . 134 ARG HB2 . 11062 1 947 . 1 1 112 112 ARG HD2 H 1 3.269 0.01 . 2 . . . . 134 ARG HD2 . 11062 1 948 . 1 1 112 112 ARG HD3 H 1 3.316 0.01 . 2 . . . . 134 ARG HD3 . 11062 1 949 . 1 1 112 112 ARG HG2 H 1 1.614 0.01 . 2 . . . . 134 ARG HG2 . 11062 1 950 . 1 1 112 112 ARG CA C 13 53.502 0.2 . 1 . . . . 134 ARG CA . 11062 1 951 . 1 1 112 112 ARG CB C 13 34.324 0.2 . 1 . . . . 134 ARG CB . 11062 1 952 . 1 1 112 112 ARG CD C 13 43.662 0.2 . 1 . . . . 134 ARG CD . 11062 1 953 . 1 1 112 112 ARG CG C 13 26.564 0.2 . 1 . . . . 134 ARG CG . 11062 1 954 . 1 1 112 112 ARG N N 15 120.408 0.2 . 1 . . . . 134 ARG N . 11062 1 955 . 1 1 113 113 GLY H H 1 8.195 0.01 . 1 . . . . 135 GLY H . 11062 1 956 . 1 1 113 113 GLY HA2 H 1 4.108 0.01 . 2 . . . . 135 GLY HA2 . 11062 1 957 . 1 1 113 113 GLY HA3 H 1 4.342 0.01 . 2 . . . . 135 GLY HA3 . 11062 1 958 . 1 1 113 113 GLY CA C 13 45.735 0.2 . 1 . . . . 135 GLY CA . 11062 1 959 . 1 1 113 113 GLY N N 15 108.687 0.2 . 1 . . . . 135 GLY N . 11062 1 960 . 1 1 114 114 THR H H 1 8.437 0.01 . 1 . . . . 136 THR H . 11062 1 961 . 1 1 114 114 THR HA H 1 4.686 0.01 . 1 . . . . 136 THR HA . 11062 1 962 . 1 1 114 114 THR HB H 1 4.26 0.01 . 1 . . . . 136 THR HB . 11062 1 963 . 1 1 114 114 THR HG21 H 1 1.231 0.01 . 1 . . . . 136 THR HG21 . 11062 1 964 . 1 1 114 114 THR HG22 H 1 1.231 0.01 . 1 . . . . 136 THR HG22 . 11062 1 965 . 1 1 114 114 THR HG23 H 1 1.231 0.01 . 1 . . . . 136 THR HG23 . 11062 1 966 . 1 1 114 114 THR CA C 13 61.317 0.2 . 1 . . . . 136 THR CA . 11062 1 967 . 1 1 114 114 THR CB C 13 70.64 0.2 . 1 . . . . 136 THR CB . 11062 1 968 . 1 1 114 114 THR CG2 C 13 21.781 0.2 . 1 . . . . 136 THR CG2 . 11062 1 969 . 1 1 114 114 THR N N 15 112.383 0.2 . 1 . . . . 136 THR N . 11062 1 970 . 1 1 115 115 LYS H H 1 8.042 0.01 . 1 . . . . 137 LYS H . 11062 1 971 . 1 1 115 115 LYS HA H 1 4.457 0.01 . 1 . . . . 137 LYS HA . 11062 1 972 . 1 1 115 115 LYS HB2 H 1 1.833 0.01 . 2 . . . . 137 LYS HB2 . 11062 1 973 . 1 1 115 115 LYS HD2 H 1 1.716 0.01 . 2 . . . . 137 LYS HD2 . 11062 1 974 . 1 1 115 115 LYS HE2 H 1 2.996 0.01 . 2 . . . . 137 LYS HE2 . 11062 1 975 . 1 1 115 115 LYS HG2 H 1 1.482 0.01 . 2 . . . . 137 LYS HG2 . 11062 1 976 . 1 1 115 115 LYS CA C 13 56.861 0.2 . 1 . . . . 137 LYS CA . 11062 1 977 . 1 1 115 115 LYS CB C 13 34.523 0.2 . 1 . . . . 137 LYS CB . 11062 1 978 . 1 1 115 115 LYS CD C 13 29.182 0.2 . 1 . . . . 137 LYS CD . 11062 1 979 . 1 1 115 115 LYS CE C 13 41.903 0.2 . 1 . . . . 137 LYS CE . 11062 1 980 . 1 1 115 115 LYS CG C 13 24.764 0.2 . 1 . . . . 137 LYS CG . 11062 1 981 . 1 1 115 115 LYS N N 15 121.031 0.2 . 1 . . . . 137 LYS N . 11062 1 982 . 1 1 116 116 GLY H H 1 8.574 0.01 . 1 . . . . 138 GLY H . 11062 1 983 . 1 1 116 116 GLY HA2 H 1 3.894 0.01 . 2 . . . . 138 GLY HA2 . 11062 1 984 . 1 1 116 116 GLY HA3 H 1 4.566 0.01 . 2 . . . . 138 GLY HA3 . 11062 1 985 . 1 1 116 116 GLY CA C 13 44.217 0.2 . 1 . . . . 138 GLY CA . 11062 1 986 . 1 1 116 116 GLY N N 15 112.843 0.2 . 1 . . . . 138 GLY N . 11062 1 987 . 1 1 117 117 PRO HA H 1 4.452 0.01 . 1 . . . . 139 PRO HA . 11062 1 988 . 1 1 117 117 PRO HB2 H 1 1.947 0.01 . 2 . . . . 139 PRO HB2 . 11062 1 989 . 1 1 117 117 PRO HB3 H 1 2.386 0.01 . 2 . . . . 139 PRO HB3 . 11062 1 990 . 1 1 117 117 PRO HD2 H 1 3.686 0.01 . 2 . . . . 139 PRO HD2 . 11062 1 991 . 1 1 117 117 PRO HG2 H 1 2.13 0.01 . 2 . . . . 139 PRO HG2 . 11062 1 992 . 1 1 117 117 PRO CA C 13 63.92 0.2 . 1 . . . . 139 PRO CA . 11062 1 993 . 1 1 117 117 PRO CB C 13 31.786 0.2 . 1 . . . . 139 PRO CB . 11062 1 994 . 1 1 117 117 PRO CD C 13 49.674 0.2 . 1 . . . . 139 PRO CD . 11062 1 995 . 1 1 117 117 PRO CG C 13 27.564 0.2 . 1 . . . . 139 PRO CG . 11062 1 996 . 1 1 118 118 GLY H H 1 8.835 0.01 . 1 . . . . 140 GLY H . 11062 1 997 . 1 1 118 118 GLY HA2 H 1 4.03 0.01 . 2 . . . . 140 GLY HA2 . 11062 1 998 . 1 1 118 118 GLY HA3 H 1 4.187 0.01 . 2 . . . . 140 GLY HA3 . 11062 1 999 . 1 1 118 118 GLY CA C 13 45.949 0.2 . 1 . . . . 140 GLY CA . 11062 1 1000 . 1 1 118 118 GLY N N 15 110.324 0.2 . 1 . . . . 140 GLY N . 11062 1 1001 . 1 1 119 119 GLN H H 1 8.062 0.01 . 1 . . . . 141 GLN H . 11062 1 1002 . 1 1 119 119 GLN HA H 1 4.067 0.01 . 1 . . . . 141 GLN HA . 11062 1 1003 . 1 1 119 119 GLN HB2 H 1 2 0.01 . 2 . . . . 141 GLN HB2 . 11062 1 1004 . 1 1 119 119 GLN HB3 H 1 2.308 0.01 . 2 . . . . 141 GLN HB3 . 11062 1 1005 . 1 1 119 119 GLN CA C 13 57.874 0.2 . 1 . . . . 141 GLN CA . 11062 1 1006 . 1 1 119 119 GLN CB C 13 28.638 0.2 . 1 . . . . 141 GLN CB . 11062 1 1007 . 1 1 119 119 GLN CG C 13 33.051 0.2 . 1 . . . . 141 GLN CG . 11062 1 1008 . 1 1 119 119 GLN N N 15 119.674 0.2 . 1 . . . . 141 GLN N . 11062 1 1009 . 1 1 120 120 ASP H H 1 8.554 0.01 . 1 . . . . 142 ASP H . 11062 1 1010 . 1 1 120 120 ASP HA H 1 4.606 0.01 . 1 . . . . 142 ASP HA . 11062 1 1011 . 1 1 120 120 ASP HB2 H 1 2.708 0.01 . 2 . . . . 142 ASP HB2 . 11062 1 1012 . 1 1 120 120 ASP CA C 13 54.348 0.2 . 1 . . . . 142 ASP CA . 11062 1 1013 . 1 1 120 120 ASP CB C 13 40.529 0.2 . 1 . . . . 142 ASP CB . 11062 1 1014 . 1 1 120 120 ASP N N 15 117.596 0.2 . 1 . . . . 142 ASP N . 11062 1 1015 . 1 1 121 121 PHE H H 1 7.89 0.01 . 1 . . . . 143 PHE H . 11062 1 1016 . 1 1 121 121 PHE HA H 1 4.477 0.01 . 1 . . . . 143 PHE HA . 11062 1 1017 . 1 1 121 121 PHE HB2 H 1 2.574 0.01 . 2 . . . . 143 PHE HB2 . 11062 1 1018 . 1 1 121 121 PHE HB3 H 1 2.665 0.01 . 2 . . . . 143 PHE HB3 . 11062 1 1019 . 1 1 121 121 PHE HD1 H 1 6.808 0.01 . 3 . . . . 143 PHE HD1 . 11062 1 1020 . 1 1 121 121 PHE HE1 H 1 7.153 0.01 . 3 . . . . 143 PHE HE1 . 11062 1 1021 . 1 1 121 121 PHE CA C 13 59.232 0.2 . 1 . . . . 143 PHE CA . 11062 1 1022 . 1 1 121 121 PHE CB C 13 39.898 0.2 . 1 . . . . 143 PHE CB . 11062 1 1023 . 1 1 121 121 PHE CD1 C 13 131.035 0.2 . 3 . . . . 143 PHE CD1 . 11062 1 1024 . 1 1 121 121 PHE CE1 C 13 130.895 0.2 . 3 . . . . 143 PHE CE1 . 11062 1 1025 . 1 1 121 121 PHE N N 15 122.226 0.2 . 1 . . . . 143 PHE N . 11062 1 1026 . 1 1 122 122 ARG H H 1 7.956 0.01 . 1 . . . . 144 ARG H . 11062 1 1027 . 1 1 122 122 ARG HA H 1 4.664 0.01 . 1 . . . . 144 ARG HA . 11062 1 1028 . 1 1 122 122 ARG HB2 H 1 1.627 0.01 . 2 . . . . 144 ARG HB2 . 11062 1 1029 . 1 1 122 122 ARG HB3 H 1 1.7 0.01 . 2 . . . . 144 ARG HB3 . 11062 1 1030 . 1 1 122 122 ARG HD2 H 1 3.443 0.01 . 2 . . . . 144 ARG HD2 . 11062 1 1031 . 1 1 122 122 ARG HG2 H 1 1.743 0.01 . 2 . . . . 144 ARG HG2 . 11062 1 1032 . 1 1 122 122 ARG CA C 13 54.337 0.2 . 1 . . . . 144 ARG CA . 11062 1 1033 . 1 1 122 122 ARG CB C 13 34.705 0.2 . 1 . . . . 144 ARG CB . 11062 1 1034 . 1 1 122 122 ARG CD C 13 43.596 0.2 . 1 . . . . 144 ARG CD . 11062 1 1035 . 1 1 122 122 ARG CG C 13 27.456 0.2 . 1 . . . . 144 ARG CG . 11062 1 1036 . 1 1 122 122 ARG N N 15 126.876 0.2 . 1 . . . . 144 ARG N . 11062 1 1037 . 1 1 123 123 MET H H 1 8.444 0.01 . 1 . . . . 145 MET H . 11062 1 1038 . 1 1 123 123 MET HA H 1 5.157 0.01 . 1 . . . . 145 MET HA . 11062 1 1039 . 1 1 123 123 MET HB2 H 1 1.768 0.01 . 2 . . . . 145 MET HB2 . 11062 1 1040 . 1 1 123 123 MET HB3 H 1 1.889 0.01 . 2 . . . . 145 MET HB3 . 11062 1 1041 . 1 1 123 123 MET HG2 H 1 2.332 0.01 . 2 . . . . 145 MET HG2 . 11062 1 1042 . 1 1 123 123 MET CA C 13 54.904 0.2 . 1 . . . . 145 MET CA . 11062 1 1043 . 1 1 123 123 MET CB C 13 37.618 0.2 . 1 . . . . 145 MET CB . 11062 1 1044 . 1 1 123 123 MET CG C 13 31.5 0.2 . 1 . . . . 145 MET CG . 11062 1 1045 . 1 1 123 123 MET N N 15 121.767 0.2 . 1 . . . . 145 MET N . 11062 1 1046 . 1 1 124 124 ALA H H 1 9.809 0.01 . 1 . . . . 146 ALA H . 11062 1 1047 . 1 1 124 124 ALA HA H 1 5.801 0.01 . 1 . . . . 146 ALA HA . 11062 1 1048 . 1 1 124 124 ALA HB1 H 1 1.605 0.01 . 1 . . . . 146 ALA HB1 . 11062 1 1049 . 1 1 124 124 ALA HB2 H 1 1.605 0.01 . 1 . . . . 146 ALA HB2 . 11062 1 1050 . 1 1 124 124 ALA HB3 H 1 1.605 0.01 . 1 . . . . 146 ALA HB3 . 11062 1 1051 . 1 1 124 124 ALA CA C 13 50.289 0.2 . 1 . . . . 146 ALA CA . 11062 1 1052 . 1 1 124 124 ALA CB C 13 22.63 0.2 . 1 . . . . 146 ALA CB . 11062 1 1053 . 1 1 124 124 ALA N N 15 132.634 0.2 . 1 . . . . 146 ALA N . 11062 1 1054 . 1 1 125 125 THR H H 1 9.169 0.01 . 1 . . . . 147 THR H . 11062 1 1055 . 1 1 125 125 THR HA H 1 4.974 0.01 . 1 . . . . 147 THR HA . 11062 1 1056 . 1 1 125 125 THR HB H 1 3.722 0.01 . 1 . . . . 147 THR HB . 11062 1 1057 . 1 1 125 125 THR HG21 H 1 0.874 0.01 . 1 . . . . 147 THR HG21 . 11062 1 1058 . 1 1 125 125 THR HG22 H 1 0.874 0.01 . 1 . . . . 147 THR HG22 . 11062 1 1059 . 1 1 125 125 THR HG23 H 1 0.874 0.01 . 1 . . . . 147 THR HG23 . 11062 1 1060 . 1 1 125 125 THR CA C 13 62.27 0.2 . 1 . . . . 147 THR CA . 11062 1 1061 . 1 1 125 125 THR CB C 13 71.431 0.2 . 1 . . . . 147 THR CB . 11062 1 1062 . 1 1 125 125 THR CG2 C 13 21.203 0.2 . 1 . . . . 147 THR CG2 . 11062 1 1063 . 1 1 125 125 THR N N 15 118.001 0.2 . 1 . . . . 147 THR N . 11062 1 1064 . 1 1 126 126 LEU H H 1 8.287 0.01 . 1 . . . . 148 LEU H . 11062 1 1065 . 1 1 126 126 LEU HA H 1 4.994 0.01 . 1 . . . . 148 LEU HA . 11062 1 1066 . 1 1 126 126 LEU HB2 H 1 0.332 0.01 . 2 . . . . 148 LEU HB2 . 11062 1 1067 . 1 1 126 126 LEU HB3 H 1 1.002 0.01 . 2 . . . . 148 LEU HB3 . 11062 1 1068 . 1 1 126 126 LEU HD11 H 1 0.979 0.01 . 2 . . . . 148 LEU HD11 . 11062 1 1069 . 1 1 126 126 LEU HD12 H 1 0.979 0.01 . 2 . . . . 148 LEU HD12 . 11062 1 1070 . 1 1 126 126 LEU HD13 H 1 0.979 0.01 . 2 . . . . 148 LEU HD13 . 11062 1 1071 . 1 1 126 126 LEU HG H 1 0.736 0.01 . 1 . . . . 148 LEU HG . 11062 1 1072 . 1 1 126 126 LEU CA C 13 52.917 0.2 . 1 . . . . 148 LEU CA . 11062 1 1073 . 1 1 126 126 LEU CB C 13 42.487 0.2 . 1 . . . . 148 LEU CB . 11062 1 1074 . 1 1 126 126 LEU CD1 C 13 23.768 0.2 . 2 . . . . 148 LEU CD1 . 11062 1 1075 . 1 1 126 126 LEU CG C 13 26.81 0.2 . 1 . . . . 148 LEU CG . 11062 1 1076 . 1 1 126 126 LEU N N 15 128.462 0.2 . 1 . . . . 148 LEU N . 11062 1 1077 . 1 1 127 127 TYR H H 1 9.352 0.01 . 1 . . . . 149 TYR H . 11062 1 1078 . 1 1 127 127 TYR HA H 1 5.745 0.01 . 1 . . . . 149 TYR HA . 11062 1 1079 . 1 1 127 127 TYR HB2 H 1 2.435 0.01 . 2 . . . . 149 TYR HB2 . 11062 1 1080 . 1 1 127 127 TYR HB3 H 1 2.987 0.01 . 2 . . . . 149 TYR HB3 . 11062 1 1081 . 1 1 127 127 TYR HE1 H 1 6.479 0.01 . 3 . . . . 149 TYR HE1 . 11062 1 1082 . 1 1 127 127 TYR CA C 13 55.277 0.2 . 1 . . . . 149 TYR CA . 11062 1 1083 . 1 1 127 127 TYR CB C 13 40.105 0.2 . 1 . . . . 149 TYR CB . 11062 1 1084 . 1 1 127 127 TYR CE1 C 13 117.313 0.2 . 3 . . . . 149 TYR CE1 . 11062 1 1085 . 1 1 127 127 TYR N N 15 127.854 0.2 . 1 . . . . 149 TYR N . 11062 1 1086 . 1 1 128 128 SER H H 1 9.808 0.01 . 1 . . . . 150 SER H . 11062 1 1087 . 1 1 128 128 SER HA H 1 6.032 0.01 . 1 . . . . 150 SER HA . 11062 1 1088 . 1 1 128 128 SER HB2 H 1 3.851 0.01 . 2 . . . . 150 SER HB2 . 11062 1 1089 . 1 1 128 128 SER HB3 H 1 4.113 0.01 . 2 . . . . 150 SER HB3 . 11062 1 1090 . 1 1 128 128 SER CA C 13 55.349 0.2 . 1 . . . . 150 SER CA . 11062 1 1091 . 1 1 128 128 SER CB C 13 66.028 0.2 . 1 . . . . 150 SER CB . 11062 1 1092 . 1 1 128 128 SER N N 15 113.673 0.2 . 1 . . . . 150 SER N . 11062 1 1093 . 1 1 129 129 ARG H H 1 8.667 0.01 . 1 . . . . 151 ARG H . 11062 1 1094 . 1 1 129 129 ARG HA H 1 4.184 0.01 . 1 . . . . 151 ARG HA . 11062 1 1095 . 1 1 129 129 ARG HB2 H 1 1.988 0.01 . 2 . . . . 151 ARG HB2 . 11062 1 1096 . 1 1 129 129 ARG CA C 13 56.959 0.2 . 1 . . . . 151 ARG CA . 11062 1 1097 . 1 1 129 129 ARG CB C 13 31.553 0.2 . 1 . . . . 151 ARG CB . 11062 1 1098 . 1 1 129 129 ARG N N 15 126.102 0.2 . 1 . . . . 151 ARG N . 11062 1 1099 . 1 1 130 130 THR H H 1 8.244 0.01 . 1 . . . . 152 THR H . 11062 1 1100 . 1 1 130 130 THR HA H 1 4.879 0.01 . 1 . . . . 152 THR HA . 11062 1 1101 . 1 1 130 130 THR HB H 1 4.506 0.01 . 1 . . . . 152 THR HB . 11062 1 1102 . 1 1 130 130 THR HG21 H 1 1.293 0.01 . 1 . . . . 152 THR HG21 . 11062 1 1103 . 1 1 130 130 THR HG22 H 1 1.293 0.01 . 1 . . . . 152 THR HG22 . 11062 1 1104 . 1 1 130 130 THR HG23 H 1 1.293 0.01 . 1 . . . . 152 THR HG23 . 11062 1 1105 . 1 1 130 130 THR CA C 13 59.501 0.2 . 1 . . . . 152 THR CA . 11062 1 1106 . 1 1 130 130 THR CB C 13 71.244 0.2 . 1 . . . . 152 THR CB . 11062 1 1107 . 1 1 130 130 THR CG2 C 13 21.248 0.2 . 1 . . . . 152 THR CG2 . 11062 1 1108 . 1 1 130 130 THR N N 15 108.224 0.2 . 1 . . . . 152 THR N . 11062 1 1109 . 1 1 131 131 GLN H H 1 8.765 0.01 . 1 . . . . 153 GLN H . 11062 1 1110 . 1 1 131 131 GLN HA H 1 3.664 0.01 . 1 . . . . 153 GLN HA . 11062 1 1111 . 1 1 131 131 GLN HB2 H 1 1.551 0.01 . 2 . . . . 153 GLN HB2 . 11062 1 1112 . 1 1 131 131 GLN HB3 H 1 1.839 0.01 . 2 . . . . 153 GLN HB3 . 11062 1 1113 . 1 1 131 131 GLN HE21 H 1 6.36 0.01 . 2 . . . . 153 GLN HE21 . 11062 1 1114 . 1 1 131 131 GLN HE22 H 1 6.62 0.01 . 2 . . . . 153 GLN HE22 . 11062 1 1115 . 1 1 131 131 GLN HG2 H 1 1.303 0.01 . 2 . . . . 153 GLN HG2 . 11062 1 1116 . 1 1 131 131 GLN HG3 H 1 1.37 0.01 . 2 . . . . 153 GLN HG3 . 11062 1 1117 . 1 1 131 131 GLN CA C 13 57.614 0.2 . 1 . . . . 153 GLN CA . 11062 1 1118 . 1 1 131 131 GLN CB C 13 28.738 0.2 . 1 . . . . 153 GLN CB . 11062 1 1119 . 1 1 131 131 GLN CG C 13 33.474 0.2 . 1 . . . . 153 GLN CG . 11062 1 1120 . 1 1 131 131 GLN N N 15 119.385 0.2 . 1 . . . . 153 GLN N . 11062 1 1121 . 1 1 131 131 GLN NE2 N 15 108.331 0.2 . 1 . . . . 153 GLN NE2 . 11062 1 1122 . 1 1 132 132 THR H H 1 7.242 0.01 . 1 . . . . 154 THR H . 11062 1 1123 . 1 1 132 132 THR HA H 1 4.309 0.01 . 1 . . . . 154 THR HA . 11062 1 1124 . 1 1 132 132 THR HB H 1 4.046 0.01 . 1 . . . . 154 THR HB . 11062 1 1125 . 1 1 132 132 THR HG21 H 1 1.135 0.01 . 1 . . . . 154 THR HG21 . 11062 1 1126 . 1 1 132 132 THR HG22 H 1 1.135 0.01 . 1 . . . . 154 THR HG22 . 11062 1 1127 . 1 1 132 132 THR HG23 H 1 1.135 0.01 . 1 . . . . 154 THR HG23 . 11062 1 1128 . 1 1 132 132 THR CA C 13 60.406 0.2 . 1 . . . . 154 THR CA . 11062 1 1129 . 1 1 132 132 THR CB C 13 70.006 0.2 . 1 . . . . 154 THR CB . 11062 1 1130 . 1 1 132 132 THR CG2 C 13 21.55 0.2 . 1 . . . . 154 THR CG2 . 11062 1 1131 . 1 1 132 132 THR N N 15 108.689 0.2 . 1 . . . . 154 THR N . 11062 1 1132 . 1 1 133 133 LEU H H 1 8.608 0.01 . 1 . . . . 155 LEU H . 11062 1 1133 . 1 1 133 133 LEU HA H 1 4.631 0.01 . 1 . . . . 155 LEU HA . 11062 1 1134 . 1 1 133 133 LEU HB2 H 1 1.422 0.01 . 2 . . . . 155 LEU HB2 . 11062 1 1135 . 1 1 133 133 LEU HB3 H 1 1.517 0.01 . 2 . . . . 155 LEU HB3 . 11062 1 1136 . 1 1 133 133 LEU HD11 H 1 0.823 0.01 . 2 . . . . 155 LEU HD11 . 11062 1 1137 . 1 1 133 133 LEU HD12 H 1 0.823 0.01 . 2 . . . . 155 LEU HD12 . 11062 1 1138 . 1 1 133 133 LEU HD13 H 1 0.823 0.01 . 2 . . . . 155 LEU HD13 . 11062 1 1139 . 1 1 133 133 LEU HD21 H 1 0.865 0.01 . 2 . . . . 155 LEU HD21 . 11062 1 1140 . 1 1 133 133 LEU HD22 H 1 0.865 0.01 . 2 . . . . 155 LEU HD22 . 11062 1 1141 . 1 1 133 133 LEU HD23 H 1 0.865 0.01 . 2 . . . . 155 LEU HD23 . 11062 1 1142 . 1 1 133 133 LEU HG H 1 1.686 0.01 . 1 . . . . 155 LEU HG . 11062 1 1143 . 1 1 133 133 LEU CA C 13 53.415 0.2 . 1 . . . . 155 LEU CA . 11062 1 1144 . 1 1 133 133 LEU CB C 13 44.57 0.2 . 1 . . . . 155 LEU CB . 11062 1 1145 . 1 1 133 133 LEU CD1 C 13 24.799 0.2 . 2 . . . . 155 LEU CD1 . 11062 1 1146 . 1 1 133 133 LEU CD2 C 13 25.984 0.2 . 2 . . . . 155 LEU CD2 . 11062 1 1147 . 1 1 133 133 LEU CG C 13 26.633 0.2 . 1 . . . . 155 LEU CG . 11062 1 1148 . 1 1 133 133 LEU N N 15 124.56 0.2 . 1 . . . . 155 LEU N . 11062 1 1149 . 1 1 134 134 LYS H H 1 8.157 0.01 . 1 . . . . 156 LYS H . 11062 1 1150 . 1 1 134 134 LYS HA H 1 4.374 0.01 . 1 . . . . 156 LYS HA . 11062 1 1151 . 1 1 134 134 LYS HB2 H 1 1.764 0.01 . 2 . . . . 156 LYS HB2 . 11062 1 1152 . 1 1 134 134 LYS HB3 H 1 2.111 0.01 . 2 . . . . 156 LYS HB3 . 11062 1 1153 . 1 1 134 134 LYS HD2 H 1 1.781 0.01 . 2 . . . . 156 LYS HD2 . 11062 1 1154 . 1 1 134 134 LYS HE2 H 1 3.042 0.01 . 2 . . . . 156 LYS HE2 . 11062 1 1155 . 1 1 134 134 LYS HG2 H 1 1.59 0.01 . 2 . . . . 156 LYS HG2 . 11062 1 1156 . 1 1 134 134 LYS CA C 13 56.031 0.2 . 1 . . . . 156 LYS CA . 11062 1 1157 . 1 1 134 134 LYS CB C 13 33.505 0.2 . 1 . . . . 156 LYS CB . 11062 1 1158 . 1 1 134 134 LYS CD C 13 29.17 0.2 . 1 . . . . 156 LYS CD . 11062 1 1159 . 1 1 134 134 LYS CE C 13 41.805 0.2 . 1 . . . . 156 LYS CE . 11062 1 1160 . 1 1 134 134 LYS CG C 13 25.373 0.2 . 1 . . . . 156 LYS CG . 11062 1 1161 . 1 1 134 134 LYS N N 15 123.852 0.2 . 1 . . . . 156 LYS N . 11062 1 1162 . 1 1 135 135 ASP H H 1 8.974 0.01 . 1 . . . . 157 ASP H . 11062 1 1163 . 1 1 135 135 ASP HA H 1 4.143 0.01 . 1 . . . . 157 ASP HA . 11062 1 1164 . 1 1 135 135 ASP HB2 H 1 2.647 0.01 . 2 . . . . 157 ASP HB2 . 11062 1 1165 . 1 1 135 135 ASP CA C 13 58.252 0.2 . 1 . . . . 157 ASP CA . 11062 1 1166 . 1 1 135 135 ASP CB C 13 39.857 0.2 . 1 . . . . 157 ASP CB . 11062 1 1167 . 1 1 135 135 ASP N N 15 124.197 0.2 . 1 . . . . 157 ASP N . 11062 1 1168 . 1 1 136 136 GLU H H 1 9.287 0.01 . 1 . . . . 158 GLU H . 11062 1 1169 . 1 1 136 136 GLU HA H 1 4.141 0.01 . 1 . . . . 158 GLU HA . 11062 1 1170 . 1 1 136 136 GLU HB2 H 1 1.978 0.01 . 2 . . . . 158 GLU HB2 . 11062 1 1171 . 1 1 136 136 GLU HB3 H 1 2.065 0.01 . 2 . . . . 158 GLU HB3 . 11062 1 1172 . 1 1 136 136 GLU HG2 H 1 2.337 0.01 . 2 . . . . 158 GLU HG2 . 11062 1 1173 . 1 1 136 136 GLU CA C 13 59.348 0.2 . 1 . . . . 158 GLU CA . 11062 1 1174 . 1 1 136 136 GLU CB C 13 28.638 0.2 . 1 . . . . 158 GLU CB . 11062 1 1175 . 1 1 136 136 GLU CG C 13 35.479 0.2 . 1 . . . . 158 GLU CG . 11062 1 1176 . 1 1 136 136 GLU N N 15 117.885 0.2 . 1 . . . . 158 GLU N . 11062 1 1177 . 1 1 137 137 LEU H H 1 7.246 0.01 . 1 . . . . 159 LEU H . 11062 1 1178 . 1 1 137 137 LEU HA H 1 4.053 0.01 . 1 . . . . 159 LEU HA . 11062 1 1179 . 1 1 137 137 LEU HB2 H 1 1.51 0.01 . 2 . . . . 159 LEU HB2 . 11062 1 1180 . 1 1 137 137 LEU HB3 H 1 1.801 0.01 . 2 . . . . 159 LEU HB3 . 11062 1 1181 . 1 1 137 137 LEU HD11 H 1 0.59 0.01 . 2 . . . . 159 LEU HD11 . 11062 1 1182 . 1 1 137 137 LEU HD12 H 1 0.59 0.01 . 2 . . . . 159 LEU HD12 . 11062 1 1183 . 1 1 137 137 LEU HD13 H 1 0.59 0.01 . 2 . . . . 159 LEU HD13 . 11062 1 1184 . 1 1 137 137 LEU HD21 H 1 0.797 0.01 . 2 . . . . 159 LEU HD21 . 11062 1 1185 . 1 1 137 137 LEU HD22 H 1 0.797 0.01 . 2 . . . . 159 LEU HD22 . 11062 1 1186 . 1 1 137 137 LEU HD23 H 1 0.797 0.01 . 2 . . . . 159 LEU HD23 . 11062 1 1187 . 1 1 137 137 LEU CA C 13 56.663 0.2 . 1 . . . . 159 LEU CA . 11062 1 1188 . 1 1 137 137 LEU CB C 13 41.666 0.2 . 1 . . . . 159 LEU CB . 11062 1 1189 . 1 1 137 137 LEU CD1 C 13 23.948 0.2 . 2 . . . . 159 LEU CD1 . 11062 1 1190 . 1 1 137 137 LEU CD2 C 13 24.752 0.2 . 2 . . . . 159 LEU CD2 . 11062 1 1191 . 1 1 137 137 LEU CG C 13 27.474 0.2 . 1 . . . . 159 LEU CG . 11062 1 1192 . 1 1 137 137 LEU N N 15 119.393 0.2 . 1 . . . . 159 LEU N . 11062 1 1193 . 1 1 138 138 LYS H H 1 7.383 0.01 . 1 . . . . 160 LYS H . 11062 1 1194 . 1 1 138 138 LYS HA H 1 3.997 0.01 . 1 . . . . 160 LYS HA . 11062 1 1195 . 1 1 138 138 LYS HB2 H 1 1.502 0.01 . 2 . . . . 160 LYS HB2 . 11062 1 1196 . 1 1 138 138 LYS HB3 H 1 1.824 0.01 . 2 . . . . 160 LYS HB3 . 11062 1 1197 . 1 1 138 138 LYS HD2 H 1 1.125 0.01 . 2 . . . . 160 LYS HD2 . 11062 1 1198 . 1 1 138 138 LYS HD3 H 1 1.294 0.01 . 2 . . . . 160 LYS HD3 . 11062 1 1199 . 1 1 138 138 LYS HE2 H 1 2.346 0.01 . 2 . . . . 160 LYS HE2 . 11062 1 1200 . 1 1 138 138 LYS CA C 13 60.416 0.2 . 1 . . . . 160 LYS CA . 11062 1 1201 . 1 1 138 138 LYS CB C 13 31.478 0.2 . 1 . . . . 160 LYS CB . 11062 1 1202 . 1 1 138 138 LYS CD C 13 29.073 0.2 . 1 . . . . 160 LYS CD . 11062 1 1203 . 1 1 138 138 LYS CE C 13 41.561 0.2 . 1 . . . . 160 LYS CE . 11062 1 1204 . 1 1 138 138 LYS CG C 13 25.643 0.2 . 1 . . . . 160 LYS CG . 11062 1 1205 . 1 1 138 138 LYS N N 15 119.612 0.2 . 1 . . . . 160 LYS N . 11062 1 1206 . 1 1 139 139 GLU H H 1 7.978 0.01 . 1 . . . . 161 GLU H . 11062 1 1207 . 1 1 139 139 GLU HA H 1 4.176 0.01 . 1 . . . . 161 GLU HA . 11062 1 1208 . 1 1 139 139 GLU HB2 H 1 2.121 0.01 . 2 . . . . 161 GLU HB2 . 11062 1 1209 . 1 1 139 139 GLU HG2 H 1 2.381 0.01 . 2 . . . . 161 GLU HG2 . 11062 1 1210 . 1 1 139 139 GLU HG3 H 1 2.435 0.01 . 2 . . . . 161 GLU HG3 . 11062 1 1211 . 1 1 139 139 GLU CA C 13 59.139 0.2 . 1 . . . . 161 GLU CA . 11062 1 1212 . 1 1 139 139 GLU CB C 13 28.417 0.2 . 1 . . . . 161 GLU CB . 11062 1 1213 . 1 1 139 139 GLU CG C 13 34.641 0.2 . 1 . . . . 161 GLU CG . 11062 1 1214 . 1 1 139 139 GLU N N 15 119.51 0.2 . 1 . . . . 161 GLU N . 11062 1 1215 . 1 1 140 140 LYS H H 1 7.86 0.01 . 1 . . . . 162 LYS H . 11062 1 1216 . 1 1 140 140 LYS HA H 1 4.089 0.01 . 1 . . . . 162 LYS HA . 11062 1 1217 . 1 1 140 140 LYS HB2 H 1 1.798 0.01 . 2 . . . . 162 LYS HB2 . 11062 1 1218 . 1 1 140 140 LYS HB3 H 1 2.034 0.01 . 2 . . . . 162 LYS HB3 . 11062 1 1219 . 1 1 140 140 LYS HD2 H 1 1.238 0.01 . 2 . . . . 162 LYS HD2 . 11062 1 1220 . 1 1 140 140 LYS HD3 H 1 1.695 0.01 . 2 . . . . 162 LYS HD3 . 11062 1 1221 . 1 1 140 140 LYS HE2 H 1 2.831 0.01 . 2 . . . . 162 LYS HE2 . 11062 1 1222 . 1 1 140 140 LYS HE3 H 1 2.895 0.01 . 2 . . . . 162 LYS HE3 . 11062 1 1223 . 1 1 140 140 LYS HG2 H 1 1.339 0.01 . 2 . . . . 162 LYS HG2 . 11062 1 1224 . 1 1 140 140 LYS HG3 H 1 1.624 0.01 . 2 . . . . 162 LYS HG3 . 11062 1 1225 . 1 1 140 140 LYS CA C 13 59.541 0.2 . 1 . . . . 162 LYS CA . 11062 1 1226 . 1 1 140 140 LYS CB C 13 32.078 0.2 . 1 . . . . 162 LYS CB . 11062 1 1227 . 1 1 140 140 LYS CD C 13 28.661 0.2 . 1 . . . . 162 LYS CD . 11062 1 1228 . 1 1 140 140 LYS CE C 13 40.515 0.2 . 1 . . . . 162 LYS CE . 11062 1 1229 . 1 1 140 140 LYS CG C 13 23.954 0.2 . 1 . . . . 162 LYS CG . 11062 1 1230 . 1 1 140 140 LYS N N 15 120.614 0.2 . 1 . . . . 162 LYS N . 11062 1 1231 . 1 1 141 141 PHE H H 1 8.548 0.01 . 1 . . . . 163 PHE H . 11062 1 1232 . 1 1 141 141 PHE HA H 1 4.444 0.01 . 1 . . . . 163 PHE HA . 11062 1 1233 . 1 1 141 141 PHE HB2 H 1 3.369 0.01 . 2 . . . . 163 PHE HB2 . 11062 1 1234 . 1 1 141 141 PHE HD1 H 1 7.094 0.01 . 3 . . . . 163 PHE HD1 . 11062 1 1235 . 1 1 141 141 PHE CA C 13 61.551 0.2 . 1 . . . . 163 PHE CA . 11062 1 1236 . 1 1 141 141 PHE CB C 13 39.975 0.2 . 1 . . . . 163 PHE CB . 11062 1 1237 . 1 1 141 141 PHE N N 15 119.075 0.2 . 1 . . . . 163 PHE N . 11062 1 1238 . 1 1 142 142 THR H H 1 8.791 0.01 . 1 . . . . 164 THR H . 11062 1 1239 . 1 1 142 142 THR HA H 1 3.721 0.01 . 1 . . . . 164 THR HA . 11062 1 1240 . 1 1 142 142 THR HB H 1 4.461 0.01 . 1 . . . . 164 THR HB . 11062 1 1241 . 1 1 142 142 THR HG21 H 1 1.311 0.01 . 1 . . . . 164 THR HG21 . 11062 1 1242 . 1 1 142 142 THR HG22 H 1 1.311 0.01 . 1 . . . . 164 THR HG22 . 11062 1 1243 . 1 1 142 142 THR HG23 H 1 1.311 0.01 . 1 . . . . 164 THR HG23 . 11062 1 1244 . 1 1 142 142 THR CA C 13 67.495 0.2 . 1 . . . . 164 THR CA . 11062 1 1245 . 1 1 142 142 THR CB C 13 68.33 0.2 . 1 . . . . 164 THR CB . 11062 1 1246 . 1 1 142 142 THR CG2 C 13 21.495 0.2 . 1 . . . . 164 THR CG2 . 11062 1 1247 . 1 1 142 142 THR N N 15 120.224 0.2 . 1 . . . . 164 THR N . 11062 1 1248 . 1 1 143 143 THR H H 1 8.536 0.01 . 1 . . . . 165 THR H . 11062 1 1249 . 1 1 143 143 THR HA H 1 3.764 0.01 . 1 . . . . 165 THR HA . 11062 1 1250 . 1 1 143 143 THR HB H 1 4.252 0.01 . 1 . . . . 165 THR HB . 11062 1 1251 . 1 1 143 143 THR HG21 H 1 1.27 0.01 . 1 . . . . 165 THR HG21 . 11062 1 1252 . 1 1 143 143 THR HG22 H 1 1.27 0.01 . 1 . . . . 165 THR HG22 . 11062 1 1253 . 1 1 143 143 THR HG23 H 1 1.27 0.01 . 1 . . . . 165 THR HG23 . 11062 1 1254 . 1 1 143 143 THR CA C 13 66.989 0.2 . 1 . . . . 165 THR CA . 11062 1 1255 . 1 1 143 143 THR CB C 13 68.641 0.2 . 1 . . . . 165 THR CB . 11062 1 1256 . 1 1 143 143 THR CG2 C 13 21.637 0.2 . 1 . . . . 165 THR CG2 . 11062 1 1257 . 1 1 143 143 THR N N 15 118.456 0.2 . 1 . . . . 165 THR N . 11062 1 1258 . 1 1 144 144 PHE H H 1 8.264 0.01 . 1 . . . . 166 PHE H . 11062 1 1259 . 1 1 144 144 PHE HA H 1 4.207 0.01 . 1 . . . . 166 PHE HA . 11062 1 1260 . 1 1 144 144 PHE HB2 H 1 2.858 0.01 . 2 . . . . 166 PHE HB2 . 11062 1 1261 . 1 1 144 144 PHE HB3 H 1 3.316 0.01 . 2 . . . . 166 PHE HB3 . 11062 1 1262 . 1 1 144 144 PHE HD1 H 1 7.09 0.01 . 3 . . . . 166 PHE HD1 . 11062 1 1263 . 1 1 144 144 PHE HE1 H 1 6.831 0.01 . 3 . . . . 166 PHE HE1 . 11062 1 1264 . 1 1 144 144 PHE CA C 13 61.233 0.2 . 1 . . . . 166 PHE CA . 11062 1 1265 . 1 1 144 144 PHE CB C 13 39.772 0.2 . 1 . . . . 166 PHE CB . 11062 1 1266 . 1 1 144 144 PHE N N 15 122.676 0.2 . 1 . . . . 166 PHE N . 11062 1 1267 . 1 1 145 145 SER H H 1 8.077 0.01 . 1 . . . . 167 SER H . 11062 1 1268 . 1 1 145 145 SER HA H 1 3.283 0.01 . 1 . . . . 167 SER HA . 11062 1 1269 . 1 1 145 145 SER HB2 H 1 3.557 0.01 . 2 . . . . 167 SER HB2 . 11062 1 1270 . 1 1 145 145 SER CA C 13 64.031 0.2 . 1 . . . . 167 SER CA . 11062 1 1271 . 1 1 145 145 SER CB C 13 62.339 0.2 . 1 . . . . 167 SER CB . 11062 1 1272 . 1 1 145 145 SER N N 15 115.714 0.2 . 1 . . . . 167 SER N . 11062 1 1273 . 1 1 146 146 LYS H H 1 8 0.01 . 1 . . . . 168 LYS H . 11062 1 1274 . 1 1 146 146 LYS HA H 1 4.434 0.01 . 1 . . . . 168 LYS HA . 11062 1 1275 . 1 1 146 146 LYS HB2 H 1 1.767 0.01 . 2 . . . . 168 LYS HB2 . 11062 1 1276 . 1 1 146 146 LYS HD2 H 1 1.591 0.01 . 2 . . . . 168 LYS HD2 . 11062 1 1277 . 1 1 146 146 LYS HG2 H 1 1.294 0.01 . 2 . . . . 168 LYS HG2 . 11062 1 1278 . 1 1 146 146 LYS CA C 13 58.915 0.2 . 1 . . . . 168 LYS CA . 11062 1 1279 . 1 1 146 146 LYS CB C 13 32.022 0.2 . 1 . . . . 168 LYS CB . 11062 1 1280 . 1 1 146 146 LYS CD C 13 29.455 0.2 . 1 . . . . 168 LYS CD . 11062 1 1281 . 1 1 146 146 LYS CE C 13 41.71 0.2 . 1 . . . . 168 LYS CE . 11062 1 1282 . 1 1 146 146 LYS CG C 13 25.665 0.2 . 1 . . . . 168 LYS CG . 11062 1 1283 . 1 1 146 146 LYS N N 15 121.529 0.2 . 1 . . . . 168 LYS N . 11062 1 1284 . 1 1 147 147 ALA H H 1 7.726 0.01 . 1 . . . . 169 ALA H . 11062 1 1285 . 1 1 147 147 ALA HA H 1 4.079 0.01 . 1 . . . . 169 ALA HA . 11062 1 1286 . 1 1 147 147 ALA HB1 H 1 1.349 0.01 . 1 . . . . 169 ALA HB1 . 11062 1 1287 . 1 1 147 147 ALA HB2 H 1 1.349 0.01 . 1 . . . . 169 ALA HB2 . 11062 1 1288 . 1 1 147 147 ALA HB3 H 1 1.349 0.01 . 1 . . . . 169 ALA HB3 . 11062 1 1289 . 1 1 147 147 ALA CA C 13 54.255 0.2 . 1 . . . . 169 ALA CA . 11062 1 1290 . 1 1 147 147 ALA CB C 13 17.264 0.2 . 1 . . . . 169 ALA CB . 11062 1 1291 . 1 1 147 147 ALA N N 15 123.249 0.2 . 1 . . . . 169 ALA N . 11062 1 1292 . 1 1 148 148 GLN H H 1 7.058 0.01 . 1 . . . . 170 GLN H . 11062 1 1293 . 1 1 148 148 GLN HA H 1 4.139 0.01 . 1 . . . . 170 GLN HA . 11062 1 1294 . 1 1 148 148 GLN HB2 H 1 1.294 0.01 . 2 . . . . 170 GLN HB2 . 11062 1 1295 . 1 1 148 148 GLN HB3 H 1 2.023 0.01 . 2 . . . . 170 GLN HB3 . 11062 1 1296 . 1 1 148 148 GLN HE21 H 1 5.453 0.01 . 2 . . . . 170 GLN HE21 . 11062 1 1297 . 1 1 148 148 GLN HE22 H 1 6.385 0.01 . 2 . . . . 170 GLN HE22 . 11062 1 1298 . 1 1 148 148 GLN HG2 H 1 1.579 0.01 . 2 . . . . 170 GLN HG2 . 11062 1 1299 . 1 1 148 148 GLN CA C 13 53.091 0.2 . 1 . . . . 170 GLN CA . 11062 1 1300 . 1 1 148 148 GLN CB C 13 26.931 0.2 . 1 . . . . 170 GLN CB . 11062 1 1301 . 1 1 148 148 GLN CG C 13 31.13 0.2 . 1 . . . . 170 GLN CG . 11062 1 1302 . 1 1 148 148 GLN N N 15 113.952 0.2 . 1 . . . . 170 GLN N . 11062 1 1303 . 1 1 148 148 GLN NE2 N 15 111.91 0.2 . 1 . . . . 170 GLN NE2 . 11062 1 1304 . 1 1 149 149 GLY H H 1 7.651 0.01 . 1 . . . . 171 GLY H . 11062 1 1305 . 1 1 149 149 GLY HA2 H 1 3.65 0.01 . 2 . . . . 171 GLY HA2 . 11062 1 1306 . 1 1 149 149 GLY HA3 H 1 4.076 0.01 . 2 . . . . 171 GLY HA3 . 11062 1 1307 . 1 1 149 149 GLY CA C 13 45.335 0.2 . 1 . . . . 171 GLY CA . 11062 1 1308 . 1 1 149 149 GLY N N 15 106.21 0.2 . 1 . . . . 171 GLY N . 11062 1 1309 . 1 1 150 150 LEU H H 1 7.395 0.01 . 1 . . . . 172 LEU H . 11062 1 1310 . 1 1 150 150 LEU HA H 1 4.543 0.01 . 1 . . . . 172 LEU HA . 11062 1 1311 . 1 1 150 150 LEU HB2 H 1 1.221 0.01 . 2 . . . . 172 LEU HB2 . 11062 1 1312 . 1 1 150 150 LEU HB3 H 1 1.359 0.01 . 2 . . . . 172 LEU HB3 . 11062 1 1313 . 1 1 150 150 LEU HD11 H 1 0.624 0.01 . 2 . . . . 172 LEU HD11 . 11062 1 1314 . 1 1 150 150 LEU HD12 H 1 0.624 0.01 . 2 . . . . 172 LEU HD12 . 11062 1 1315 . 1 1 150 150 LEU HD13 H 1 0.624 0.01 . 2 . . . . 172 LEU HD13 . 11062 1 1316 . 1 1 150 150 LEU HD21 H 1 0.671 0.01 . 2 . . . . 172 LEU HD21 . 11062 1 1317 . 1 1 150 150 LEU HD22 H 1 0.671 0.01 . 2 . . . . 172 LEU HD22 . 11062 1 1318 . 1 1 150 150 LEU HD23 H 1 0.671 0.01 . 2 . . . . 172 LEU HD23 . 11062 1 1319 . 1 1 150 150 LEU CA C 13 53.499 0.2 . 1 . . . . 172 LEU CA . 11062 1 1320 . 1 1 150 150 LEU CB C 13 40.838 0.2 . 1 . . . . 172 LEU CB . 11062 1 1321 . 1 1 150 150 LEU CD1 C 13 25.288 0.2 . 2 . . . . 172 LEU CD1 . 11062 1 1322 . 1 1 150 150 LEU CD2 C 13 23.789 0.2 . 2 . . . . 172 LEU CD2 . 11062 1 1323 . 1 1 150 150 LEU CG C 13 27.15 0.2 . 1 . . . . 172 LEU CG . 11062 1 1324 . 1 1 150 150 LEU N N 15 120.964 0.2 . 1 . . . . 172 LEU N . 11062 1 1325 . 1 1 151 151 THR H H 1 8.27 0.01 . 1 . . . . 173 THR H . 11062 1 1326 . 1 1 151 151 THR HA H 1 4.515 0.01 . 1 . . . . 173 THR HA . 11062 1 1327 . 1 1 151 151 THR HB H 1 4.53 0.01 . 1 . . . . 173 THR HB . 11062 1 1328 . 1 1 151 151 THR HG21 H 1 1.219 0.01 . 1 . . . . 173 THR HG21 . 11062 1 1329 . 1 1 151 151 THR HG22 H 1 1.219 0.01 . 1 . . . . 173 THR HG22 . 11062 1 1330 . 1 1 151 151 THR HG23 H 1 1.219 0.01 . 1 . . . . 173 THR HG23 . 11062 1 1331 . 1 1 151 151 THR CA C 13 60.236 0.2 . 1 . . . . 173 THR CA . 11062 1 1332 . 1 1 151 151 THR CB C 13 71.307 0.2 . 1 . . . . 173 THR CB . 11062 1 1333 . 1 1 151 151 THR CG2 C 13 21.648 0.2 . 1 . . . . 173 THR CG2 . 11062 1 1334 . 1 1 151 151 THR N N 15 110.762 0.2 . 1 . . . . 173 THR N . 11062 1 1335 . 1 1 152 152 GLU H H 1 9.041 0.01 . 1 . . . . 174 GLU H . 11062 1 1336 . 1 1 152 152 GLU HA H 1 3.908 0.01 . 1 . . . . 174 GLU HA . 11062 1 1337 . 1 1 152 152 GLU HB2 H 1 2.069 0.01 . 2 . . . . 174 GLU HB2 . 11062 1 1338 . 1 1 152 152 GLU HG2 H 1 2.388 0.01 . 2 . . . . 174 GLU HG2 . 11062 1 1339 . 1 1 152 152 GLU HG3 H 1 2.457 0.01 . 2 . . . . 174 GLU HG3 . 11062 1 1340 . 1 1 152 152 GLU CA C 13 60.19 0.2 . 1 . . . . 174 GLU CA . 11062 1 1341 . 1 1 152 152 GLU CB C 13 28.823 0.2 . 1 . . . . 174 GLU CB . 11062 1 1342 . 1 1 152 152 GLU CG C 13 36.037 0.2 . 1 . . . . 174 GLU CG . 11062 1 1343 . 1 1 152 152 GLU N N 15 118.629 0.2 . 1 . . . . 174 GLU N . 11062 1 1344 . 1 1 153 153 GLU H H 1 8.2 0.01 . 1 . . . . 175 GLU H . 11062 1 1345 . 1 1 153 153 GLU HA H 1 4.222 0.01 . 1 . . . . 175 GLU HA . 11062 1 1346 . 1 1 153 153 GLU HB2 H 1 1.991 0.01 . 2 . . . . 175 GLU HB2 . 11062 1 1347 . 1 1 153 153 GLU HB3 H 1 2.018 0.01 . 2 . . . . 175 GLU HB3 . 11062 1 1348 . 1 1 153 153 GLU HG2 H 1 2.333 0.01 . 2 . . . . 175 GLU HG2 . 11062 1 1349 . 1 1 153 153 GLU CA C 13 58.093 0.2 . 1 . . . . 175 GLU CA . 11062 1 1350 . 1 1 153 153 GLU CB C 13 28.697 0.2 . 1 . . . . 175 GLU CB . 11062 1 1351 . 1 1 153 153 GLU CG C 13 36.244 0.2 . 1 . . . . 175 GLU CG . 11062 1 1352 . 1 1 153 153 GLU N N 15 115.885 0.2 . 1 . . . . 175 GLU N . 11062 1 1353 . 1 1 154 154 ASP H H 1 7.833 0.01 . 1 . . . . 176 ASP H . 11062 1 1354 . 1 1 154 154 ASP HA H 1 4.873 0.01 . 1 . . . . 176 ASP HA . 11062 1 1355 . 1 1 154 154 ASP HB2 H 1 2.864 0.01 . 2 . . . . 176 ASP HB2 . 11062 1 1356 . 1 1 154 154 ASP HB3 H 1 3.226 0.01 . 2 . . . . 176 ASP HB3 . 11062 1 1357 . 1 1 154 154 ASP CA C 13 53.936 0.2 . 1 . . . . 176 ASP CA . 11062 1 1358 . 1 1 154 154 ASP CB C 13 41.47 0.2 . 1 . . . . 176 ASP CB . 11062 1 1359 . 1 1 154 154 ASP N N 15 118.196 0.2 . 1 . . . . 176 ASP N . 11062 1 1360 . 1 1 155 155 ILE H H 1 7.007 0.01 . 1 . . . . 177 ILE H . 11062 1 1361 . 1 1 155 155 ILE HA H 1 4.367 0.01 . 1 . . . . 177 ILE HA . 11062 1 1362 . 1 1 155 155 ILE HB H 1 1.727 0.01 . 1 . . . . 177 ILE HB . 11062 1 1363 . 1 1 155 155 ILE HD11 H 1 0.734 0.01 . 1 . . . . 177 ILE HD11 . 11062 1 1364 . 1 1 155 155 ILE HD12 H 1 0.734 0.01 . 1 . . . . 177 ILE HD12 . 11062 1 1365 . 1 1 155 155 ILE HD13 H 1 0.734 0.01 . 1 . . . . 177 ILE HD13 . 11062 1 1366 . 1 1 155 155 ILE HG21 H 1 0.543 0.01 . 1 . . . . 177 ILE HG21 . 11062 1 1367 . 1 1 155 155 ILE HG22 H 1 0.543 0.01 . 1 . . . . 177 ILE HG22 . 11062 1 1368 . 1 1 155 155 ILE HG23 H 1 0.543 0.01 . 1 . . . . 177 ILE HG23 . 11062 1 1369 . 1 1 155 155 ILE CA C 13 61.493 0.2 . 1 . . . . 177 ILE CA . 11062 1 1370 . 1 1 155 155 ILE CB C 13 40.374 0.2 . 1 . . . . 177 ILE CB . 11062 1 1371 . 1 1 155 155 ILE CD1 C 13 16.043 0.2 . 1 . . . . 177 ILE CD1 . 11062 1 1372 . 1 1 155 155 ILE CG1 C 13 26.78 0.2 . 1 . . . . 177 ILE CG1 . 11062 1 1373 . 1 1 155 155 ILE CG2 C 13 17.364 0.2 . 1 . . . . 177 ILE CG2 . 11062 1 1374 . 1 1 155 155 ILE N N 15 117.852 0.2 . 1 . . . . 177 ILE N . 11062 1 1375 . 1 1 156 156 VAL H H 1 9.203 0.01 . 1 . . . . 178 VAL H . 11062 1 1376 . 1 1 156 156 VAL HA H 1 4.544 0.01 . 1 . . . . 178 VAL HA . 11062 1 1377 . 1 1 156 156 VAL HB H 1 2.056 0.01 . 1 . . . . 178 VAL HB . 11062 1 1378 . 1 1 156 156 VAL HG11 H 1 0.977 0.01 . 2 . . . . 178 VAL HG11 . 11062 1 1379 . 1 1 156 156 VAL HG12 H 1 0.977 0.01 . 2 . . . . 178 VAL HG12 . 11062 1 1380 . 1 1 156 156 VAL HG13 H 1 0.977 0.01 . 2 . . . . 178 VAL HG13 . 11062 1 1381 . 1 1 156 156 VAL CA C 13 60.448 0.2 . 1 . . . . 178 VAL CA . 11062 1 1382 . 1 1 156 156 VAL CB C 13 36.233 0.2 . 1 . . . . 178 VAL CB . 11062 1 1383 . 1 1 156 156 VAL CG1 C 13 21.452 0.2 . 2 . . . . 178 VAL CG1 . 11062 1 1384 . 1 1 156 156 VAL N N 15 126.166 0.2 . 1 . . . . 178 VAL N . 11062 1 1385 . 1 1 157 157 PHE H H 1 8.718 0.01 . 1 . . . . 179 PHE H . 11062 1 1386 . 1 1 157 157 PHE HA H 1 5.01 0.01 . 1 . . . . 179 PHE HA . 11062 1 1387 . 1 1 157 157 PHE HB2 H 1 2.915 0.01 . 2 . . . . 179 PHE HB2 . 11062 1 1388 . 1 1 157 157 PHE HB3 H 1 3.184 0.01 . 2 . . . . 179 PHE HB3 . 11062 1 1389 . 1 1 157 157 PHE HD1 H 1 7.324 0.01 . 3 . . . . 179 PHE HD1 . 11062 1 1390 . 1 1 157 157 PHE HE1 H 1 7.21 0.01 . 3 . . . . 179 PHE HE1 . 11062 1 1391 . 1 1 157 157 PHE CA C 13 58.363 0.2 . 1 . . . . 179 PHE CA . 11062 1 1392 . 1 1 157 157 PHE CB C 13 38.344 0.2 . 1 . . . . 179 PHE CB . 11062 1 1393 . 1 1 157 157 PHE CD1 C 13 132.05 0.2 . 3 . . . . 179 PHE CD1 . 11062 1 1394 . 1 1 157 157 PHE N N 15 124.905 0.2 . 1 . . . . 179 PHE N . 11062 1 1395 . 1 1 158 158 LEU H H 1 7.459 0.01 . 1 . . . . 180 LEU H . 11062 1 1396 . 1 1 158 158 LEU HA H 1 4.402 0.01 . 1 . . . . 180 LEU HA . 11062 1 1397 . 1 1 158 158 LEU CA C 13 53.074 0.2 . 1 . . . . 180 LEU CA . 11062 1 1398 . 1 1 158 158 LEU CB C 13 41.738 0.2 . 1 . . . . 180 LEU CB . 11062 1 1399 . 1 1 158 158 LEU N N 15 125.466 0.2 . 1 . . . . 180 LEU N . 11062 1 1400 . 1 1 159 159 PRO HA H 1 4.771 0.01 . 1 . . . . 181 PRO HA . 11062 1 1401 . 1 1 159 159 PRO CA C 13 61.916 0.2 . 1 . . . . 181 PRO CA . 11062 1 1402 . 1 1 159 159 PRO CB C 13 32.363 0.2 . 1 . . . . 181 PRO CB . 11062 1 1403 . 1 1 159 159 PRO CD C 13 51.062 0.2 . 1 . . . . 181 PRO CD . 11062 1 1404 . 1 1 159 159 PRO CG C 13 27.093 0.2 . 1 . . . . 181 PRO CG . 11062 1 1405 . 1 1 161 161 PRO HA H 1 4.666 0.01 . 1 . . . . 183 PRO HA . 11062 1 1406 . 1 1 161 161 PRO HB2 H 1 1.82 0.01 . 2 . . . . 183 PRO HB2 . 11062 1 1407 . 1 1 161 161 PRO HB3 H 1 2.116 0.01 . 2 . . . . 183 PRO HB3 . 11062 1 1408 . 1 1 161 161 PRO HD2 H 1 4.45 0.01 . 2 . . . . 183 PRO HD2 . 11062 1 1409 . 1 1 161 161 PRO CA C 13 62.292 0.2 . 1 . . . . 183 PRO CA . 11062 1 1410 . 1 1 161 161 PRO CB C 13 33.337 0.2 . 1 . . . . 183 PRO CB . 11062 1 1411 . 1 1 161 161 PRO CD C 13 51.006 0.2 . 1 . . . . 183 PRO CD . 11062 1 1412 . 1 1 162 162 ASP H H 1 8.449 0.01 . 1 . . . . 184 ASP H . 11062 1 1413 . 1 1 162 162 ASP HA H 1 4.467 0.01 . 1 . . . . 184 ASP HA . 11062 1 1414 . 1 1 162 162 ASP HB2 H 1 2.712 0.01 . 2 . . . . 184 ASP HB2 . 11062 1 1415 . 1 1 162 162 ASP HB3 H 1 2.819 0.01 . 2 . . . . 184 ASP HB3 . 11062 1 1416 . 1 1 162 162 ASP CA C 13 54.064 0.2 . 1 . . . . 184 ASP CA . 11062 1 1417 . 1 1 162 162 ASP CB C 13 39.919 0.2 . 1 . . . . 184 ASP CB . 11062 1 1418 . 1 1 162 162 ASP N N 15 117.032 0.2 . 1 . . . . 184 ASP N . 11062 1 1419 . 1 1 163 163 LYS H H 1 7.195 0.01 . 1 . . . . 185 LYS H . 11062 1 1420 . 1 1 163 163 LYS HA H 1 4.588 0.01 . 1 . . . . 185 LYS HA . 11062 1 1421 . 1 1 163 163 LYS HB2 H 1 1.664 0.01 . 2 . . . . 185 LYS HB2 . 11062 1 1422 . 1 1 163 163 LYS HB3 H 1 1.957 0.01 . 2 . . . . 185 LYS HB3 . 11062 1 1423 . 1 1 163 163 LYS HD2 H 1 1.566 0.01 . 2 . . . . 185 LYS HD2 . 11062 1 1424 . 1 1 163 163 LYS HE2 H 1 2.851 0.01 . 2 . . . . 185 LYS HE2 . 11062 1 1425 . 1 1 163 163 LYS HG2 H 1 1.422 0.01 . 2 . . . . 185 LYS HG2 . 11062 1 1426 . 1 1 163 163 LYS CA C 13 55.499 0.2 . 1 . . . . 185 LYS CA . 11062 1 1427 . 1 1 163 163 LYS CB C 13 35.558 0.2 . 1 . . . . 185 LYS CB . 11062 1 1428 . 1 1 163 163 LYS CD C 13 29.237 0.2 . 1 . . . . 185 LYS CD . 11062 1 1429 . 1 1 163 163 LYS CE C 13 41.708 0.2 . 1 . . . . 185 LYS CE . 11062 1 1430 . 1 1 163 163 LYS CG C 13 23.798 0.2 . 1 . . . . 185 LYS CG . 11062 1 1431 . 1 1 163 163 LYS N N 15 115.3 0.2 . 1 . . . . 185 LYS N . 11062 1 1432 . 1 1 164 164 CYS H H 1 8.427 0.01 . 1 . . . . 186 CYS H . 11062 1 1433 . 1 1 164 164 CYS HA H 1 4.313 0.01 . 1 . . . . 186 CYS HA . 11062 1 1434 . 1 1 164 164 CYS HB2 H 1 2.856 0.01 . 2 . . . . 186 CYS HB2 . 11062 1 1435 . 1 1 164 164 CYS HB3 H 1 3.434 0.01 . 2 . . . . 186 CYS HB3 . 11062 1 1436 . 1 1 164 164 CYS CA C 13 57.607 0.2 . 1 . . . . 186 CYS CA . 11062 1 1437 . 1 1 164 164 CYS CB C 13 35.042 0.2 . 1 . . . . 186 CYS CB . 11062 1 1438 . 1 1 164 164 CYS N N 15 107.133 0.2 . 1 . . . . 186 CYS N . 11062 1 1439 . 1 1 165 165 ILE H H 1 7.881 0.01 . 1 . . . . 187 ILE H . 11062 1 1440 . 1 1 165 165 ILE HA H 1 4.549 0.01 . 1 . . . . 187 ILE HA . 11062 1 1441 . 1 1 165 165 ILE HB H 1 2.161 0.01 . 1 . . . . 187 ILE HB . 11062 1 1442 . 1 1 165 165 ILE HD11 H 1 0.873 0.01 . 1 . . . . 187 ILE HD11 . 11062 1 1443 . 1 1 165 165 ILE HD12 H 1 0.873 0.01 . 1 . . . . 187 ILE HD12 . 11062 1 1444 . 1 1 165 165 ILE HD13 H 1 0.873 0.01 . 1 . . . . 187 ILE HD13 . 11062 1 1445 . 1 1 165 165 ILE HG12 H 1 1.074 0.01 . 2 . . . . 187 ILE HG12 . 11062 1 1446 . 1 1 165 165 ILE HG13 H 1 1.348 0.01 . 2 . . . . 187 ILE HG13 . 11062 1 1447 . 1 1 165 165 ILE HG21 H 1 1.056 0.01 . 1 . . . . 187 ILE HG21 . 11062 1 1448 . 1 1 165 165 ILE HG22 H 1 1.056 0.01 . 1 . . . . 187 ILE HG22 . 11062 1 1449 . 1 1 165 165 ILE HG23 H 1 1.056 0.01 . 1 . . . . 187 ILE HG23 . 11062 1 1450 . 1 1 165 165 ILE CA C 13 61.529 0.2 . 1 . . . . 187 ILE CA . 11062 1 1451 . 1 1 165 165 ILE CB C 13 39.748 0.2 . 1 . . . . 187 ILE CB . 11062 1 1452 . 1 1 165 165 ILE CD1 C 13 15.091 0.2 . 1 . . . . 187 ILE CD1 . 11062 1 1453 . 1 1 165 165 ILE CG1 C 13 27.055 0.2 . 1 . . . . 187 ILE CG1 . 11062 1 1454 . 1 1 165 165 ILE CG2 C 13 18.03 0.2 . 1 . . . . 187 ILE CG2 . 11062 1 1455 . 1 1 165 165 ILE N N 15 113.57 0.2 . 1 . . . . 187 ILE N . 11062 1 1456 . 1 1 166 166 GLN H H 1 8.308 0.01 . 1 . . . . 188 GLN H . 11062 1 1457 . 1 1 166 166 GLN HA H 1 4.303 0.01 . 1 . . . . 188 GLN HA . 11062 1 1458 . 1 1 166 166 GLN HB2 H 1 2.092 0.01 . 2 . . . . 188 GLN HB2 . 11062 1 1459 . 1 1 166 166 GLN HE21 H 1 6.595 0.01 . 2 . . . . 188 GLN HE21 . 11062 1 1460 . 1 1 166 166 GLN HE22 H 1 7.501 0.01 . 2 . . . . 188 GLN HE22 . 11062 1 1461 . 1 1 166 166 GLN HG2 H 1 2.488 0.01 . 2 . . . . 188 GLN HG2 . 11062 1 1462 . 1 1 166 166 GLN CA C 13 56.928 0.2 . 1 . . . . 188 GLN CA . 11062 1 1463 . 1 1 166 166 GLN CB C 13 28.637 0.2 . 1 . . . . 188 GLN CB . 11062 1 1464 . 1 1 166 166 GLN CG C 13 33.981 0.2 . 1 . . . . 188 GLN CG . 11062 1 1465 . 1 1 166 166 GLN N N 15 122.915 0.2 . 1 . . . . 188 GLN N . 11062 1 1466 . 1 1 166 166 GLN NE2 N 15 110.66 0.2 . 1 . . . . 188 GLN NE2 . 11062 1 1467 . 1 1 167 167 GLU H H 1 8.054 0.01 . 1 . . . . 189 GLU H . 11062 1 1468 . 1 1 167 167 GLU HA H 1 4.067 0.01 . 1 . . . . 189 GLU HA . 11062 1 1469 . 1 1 167 167 GLU CA C 13 57.901 0.2 . 1 . . . . 189 GLU CA . 11062 1 1470 . 1 1 167 167 GLU CB C 13 30.445 0.2 . 1 . . . . 189 GLU CB . 11062 1 1471 . 1 1 167 167 GLU N N 15 125.884 0.2 . 1 . . . . 189 GLU N . 11062 1 stop_ save_