data_11073 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11073 _Entry.Title ; Solution structure of juvenile hormone binding protein from silkworm in complex with JH III ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-27 _Entry.Accession_date 2009-05-01 _Entry.Last_release_date 2009-10-14 _Entry.Original_release_date 2009-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 Rintaro Suzuki . . . 11073 2 Zui Fujimoto . . . 11073 3 Takahiro Shiotsuki . . . 11073 4 Mitsuru Momma . . . 11073 5 Akira Tase . . . 11073 6 Toshimasa Yamazaki . . . 11073 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Unit, National Institute of Agrobiological Sciences' . 11073 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'juvenile hormone' . 11073 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11073 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1049 11073 '15N chemical shifts' 242 11073 '1H chemical shifts' 1635 11073 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-14 2009-04-27 original author . 11073 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16021 'NMR assignments of juvenile hormone binding protein in complex with JH III' 11073 PDB 2RQF 'BMRB Entry Tracking System' 11073 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11073 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural basis for juvenile hormone perception by JHBP in haemolymph' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Rintaro Suzuki . . . 11073 1 2 Zui Fujimoto . . . 11073 1 3 Takahiro Shiotsuki . . . 11073 1 4 Mitsuru Momma . . . 11073 1 5 Akira Tase . . . 11073 1 6 Mitsuhiro Miyazawa . . . 11073 1 7 Toshimasa Yamazaki . . . 11073 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 11073 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636950 _Citation.Full_citation . _Citation.Title 'NMR assignments of juvenile hormone binding protein in complex with JH III' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 73 _Citation.Page_last 76 _Citation.Year 2009 _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 Rintaro Suzuki . . . 11073 2 2 Akira Tase . . . 11073 2 3 Zui Fujimoto . . . 11073 2 4 Takahiro Shiotsuki . . . 11073 2 5 Toshimasa Yamazaki . . . 11073 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11073 _Assembly.ID 1 _Assembly.Name 'JHBP-JH III complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hJHBP 1 $hJHBP A . yes native no no . . . 11073 1 2 'JH III' 2 $JH3 B . yes native no no . . . 11073 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 hJHBP 1 CYS 11 11 SG . 1 hJHBP 1 CYS 18 18 SG 1 . 9 CYS SG 1 . 16 CYS SG 11073 1 2 disulfide single . 1 hJHBP 1 CYS 153 153 SG . 1 hJHBP 1 CYS 196 196 SG 1 . 151 CYS SG 1 . 194 CYS SG 11073 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 153 153 HG . 151 CYS HG 11073 1 . . 1 1 CYS 196 196 HG . 194 CYS HG 11073 1 . . 1 1 CYS 11 11 HG . 9 CYS HG 11073 1 . . 1 1 CYS 18 18 HG . 16 CYS HG 11073 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hJHBP _Entity.Sf_category entity _Entity.Sf_framecode hJHBP _Entity.Entry_ID 11073 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hJHBP _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 ; GSDGDALLKPCKLGDMQCLS SATEQFLEKTSKGIPQYDIW PIDPLVVTSLDVIAPSDAGI VIRFKNLNITGLKNQQISDF QMDTKAKTVLLKTKADLHIV GDIVIELTEQSKSFTGLYTA DTNVIGAVRYGYNLKNDDNG VQHFEVQPETFTCESIGEPK ITLSSDLSSALEKDSGNNSL EPDMEPLKTLRQAAICKIAE ACYISVVHNIRASAKILPAS SFFENLN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues (-2)-(-1) represent a non-native sequence from affinity tag.' _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 227 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24781.268 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The numbering in the PDB file and the constraint files are differ. This is because the program Sparky does not accept minus residue numbers. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AF098304 . hJHBP . . . . . . . . . . . . . . 11073 1 2 yes SWS Q9U556_BOMMO . hJHBP . . . . . . . . . . . . . . 11073 1 3 no BMRB 16021 . hJHBP . . . . . 100.00 227 100.00 100.00 1.79e-164 . . . . 11073 1 4 no PDB 2RQF . "Solution Structure Of Juvenile Hormone Binding Protein From Silkworm In Complex With Jh Iii" . . . . . 100.00 227 100.00 100.00 1.79e-164 . . . . 11073 1 5 no PDB 3A1Z . "Crystal Structure Of Juvenile Hormone Binding Protein From S" . . . . . 100.00 227 100.00 100.00 1.79e-164 . . . . 11073 1 6 no PDB 3AOS . "Crystal Structure Of Juvenile Hormone Binding Protein From Silkworm In Complex With Jh Ii" . . . . . 100.00 227 100.00 100.00 1.79e-164 . . . . 11073 1 7 no PDB 3AOT . "Crystal Structure Of Juvenile Hormone Binding Protein From Silkworm In Its Apo Form" . . . . . 100.00 227 100.00 100.00 1.79e-164 . . . . 11073 1 8 no GB AAF19267 . "hemolymph juvenile hormone binding protein precursor [Bombyx mori]" . . . . . 100.00 243 99.56 99.56 5.45e-164 . . . . 11073 1 9 no GB AAF19268 . "hemolymph juvenile hormone binding protein precursor [Bombyx mori]" . . . . . 100.00 243 98.24 99.56 4.55e-163 . . . . 11073 1 10 no GB AAP41112 . "juvenile hormone binding protein precursor [Bombyx mori]" . . . . . 100.00 243 98.68 99.56 5.42e-163 . . . . 11073 1 11 no REF NP_001037074 . "hemolymph juvenile hormone binding protein precursor [Bombyx mori]" . . . . . 100.00 243 98.24 99.56 4.55e-163 . . . . 11073 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 -2 GLY . 11073 1 2 -1 SER . 11073 1 3 1 ASP . 11073 1 4 2 GLY . 11073 1 5 3 ASP . 11073 1 6 4 ALA . 11073 1 7 5 LEU . 11073 1 8 6 LEU . 11073 1 9 7 LYS . 11073 1 10 8 PRO . 11073 1 11 9 CYS . 11073 1 12 10 LYS . 11073 1 13 11 LEU . 11073 1 14 12 GLY . 11073 1 15 13 ASP . 11073 1 16 14 MET . 11073 1 17 15 GLN . 11073 1 18 16 CYS . 11073 1 19 17 LEU . 11073 1 20 18 SER . 11073 1 21 19 SER . 11073 1 22 20 ALA . 11073 1 23 21 THR . 11073 1 24 22 GLU . 11073 1 25 23 GLN . 11073 1 26 24 PHE . 11073 1 27 25 LEU . 11073 1 28 26 GLU . 11073 1 29 27 LYS . 11073 1 30 28 THR . 11073 1 31 29 SER . 11073 1 32 30 LYS . 11073 1 33 31 GLY . 11073 1 34 32 ILE . 11073 1 35 33 PRO . 11073 1 36 34 GLN . 11073 1 37 35 TYR . 11073 1 38 36 ASP . 11073 1 39 37 ILE . 11073 1 40 38 TRP . 11073 1 41 39 PRO . 11073 1 42 40 ILE . 11073 1 43 41 ASP . 11073 1 44 42 PRO . 11073 1 45 43 LEU . 11073 1 46 44 VAL . 11073 1 47 45 VAL . 11073 1 48 46 THR . 11073 1 49 47 SER . 11073 1 50 48 LEU . 11073 1 51 49 ASP . 11073 1 52 50 VAL . 11073 1 53 51 ILE . 11073 1 54 52 ALA . 11073 1 55 53 PRO . 11073 1 56 54 SER . 11073 1 57 55 ASP . 11073 1 58 56 ALA . 11073 1 59 57 GLY . 11073 1 60 58 ILE . 11073 1 61 59 VAL . 11073 1 62 60 ILE . 11073 1 63 61 ARG . 11073 1 64 62 PHE . 11073 1 65 63 LYS . 11073 1 66 64 ASN . 11073 1 67 65 LEU . 11073 1 68 66 ASN . 11073 1 69 67 ILE . 11073 1 70 68 THR . 11073 1 71 69 GLY . 11073 1 72 70 LEU . 11073 1 73 71 LYS . 11073 1 74 72 ASN . 11073 1 75 73 GLN . 11073 1 76 74 GLN . 11073 1 77 75 ILE . 11073 1 78 76 SER . 11073 1 79 77 ASP . 11073 1 80 78 PHE . 11073 1 81 79 GLN . 11073 1 82 80 MET . 11073 1 83 81 ASP . 11073 1 84 82 THR . 11073 1 85 83 LYS . 11073 1 86 84 ALA . 11073 1 87 85 LYS . 11073 1 88 86 THR . 11073 1 89 87 VAL . 11073 1 90 88 LEU . 11073 1 91 89 LEU . 11073 1 92 90 LYS . 11073 1 93 91 THR . 11073 1 94 92 LYS . 11073 1 95 93 ALA . 11073 1 96 94 ASP . 11073 1 97 95 LEU . 11073 1 98 96 HIS . 11073 1 99 97 ILE . 11073 1 100 98 VAL . 11073 1 101 99 GLY . 11073 1 102 100 ASP . 11073 1 103 101 ILE . 11073 1 104 102 VAL . 11073 1 105 103 ILE . 11073 1 106 104 GLU . 11073 1 107 105 LEU . 11073 1 108 106 THR . 11073 1 109 107 GLU . 11073 1 110 108 GLN . 11073 1 111 109 SER . 11073 1 112 110 LYS . 11073 1 113 111 SER . 11073 1 114 112 PHE . 11073 1 115 113 THR . 11073 1 116 114 GLY . 11073 1 117 115 LEU . 11073 1 118 116 TYR . 11073 1 119 117 THR . 11073 1 120 118 ALA . 11073 1 121 119 ASP . 11073 1 122 120 THR . 11073 1 123 121 ASN . 11073 1 124 122 VAL . 11073 1 125 123 ILE . 11073 1 126 124 GLY . 11073 1 127 125 ALA . 11073 1 128 126 VAL . 11073 1 129 127 ARG . 11073 1 130 128 TYR . 11073 1 131 129 GLY . 11073 1 132 130 TYR . 11073 1 133 131 ASN . 11073 1 134 132 LEU . 11073 1 135 133 LYS . 11073 1 136 134 ASN . 11073 1 137 135 ASP . 11073 1 138 136 ASP . 11073 1 139 137 ASN . 11073 1 140 138 GLY . 11073 1 141 139 VAL . 11073 1 142 140 GLN . 11073 1 143 141 HIS . 11073 1 144 142 PHE . 11073 1 145 143 GLU . 11073 1 146 144 VAL . 11073 1 147 145 GLN . 11073 1 148 146 PRO . 11073 1 149 147 GLU . 11073 1 150 148 THR . 11073 1 151 149 PHE . 11073 1 152 150 THR . 11073 1 153 151 CYS . 11073 1 154 152 GLU . 11073 1 155 153 SER . 11073 1 156 154 ILE . 11073 1 157 155 GLY . 11073 1 158 156 GLU . 11073 1 159 157 PRO . 11073 1 160 158 LYS . 11073 1 161 159 ILE . 11073 1 162 160 THR . 11073 1 163 161 LEU . 11073 1 164 162 SER . 11073 1 165 163 SER . 11073 1 166 164 ASP . 11073 1 167 165 LEU . 11073 1 168 166 SER . 11073 1 169 167 SER . 11073 1 170 168 ALA . 11073 1 171 169 LEU . 11073 1 172 170 GLU . 11073 1 173 171 LYS . 11073 1 174 172 ASP . 11073 1 175 173 SER . 11073 1 176 174 GLY . 11073 1 177 175 ASN . 11073 1 178 176 ASN . 11073 1 179 177 SER . 11073 1 180 178 LEU . 11073 1 181 179 GLU . 11073 1 182 180 PRO . 11073 1 183 181 ASP . 11073 1 184 182 MET . 11073 1 185 183 GLU . 11073 1 186 184 PRO . 11073 1 187 185 LEU . 11073 1 188 186 LYS . 11073 1 189 187 THR . 11073 1 190 188 LEU . 11073 1 191 189 ARG . 11073 1 192 190 GLN . 11073 1 193 191 ALA . 11073 1 194 192 ALA . 11073 1 195 193 ILE . 11073 1 196 194 CYS . 11073 1 197 195 LYS . 11073 1 198 196 ILE . 11073 1 199 197 ALA . 11073 1 200 198 GLU . 11073 1 201 199 ALA . 11073 1 202 200 CYS . 11073 1 203 201 TYR . 11073 1 204 202 ILE . 11073 1 205 203 SER . 11073 1 206 204 VAL . 11073 1 207 205 VAL . 11073 1 208 206 HIS . 11073 1 209 207 ASN . 11073 1 210 208 ILE . 11073 1 211 209 ARG . 11073 1 212 210 ALA . 11073 1 213 211 SER . 11073 1 214 212 ALA . 11073 1 215 213 LYS . 11073 1 216 214 ILE . 11073 1 217 215 LEU . 11073 1 218 216 PRO . 11073 1 219 217 ALA . 11073 1 220 218 SER . 11073 1 221 219 SER . 11073 1 222 220 PHE . 11073 1 223 221 PHE . 11073 1 224 222 GLU . 11073 1 225 223 ASN . 11073 1 226 224 LEU . 11073 1 227 225 ASN . 11073 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 11073 1 . SER 2 2 11073 1 . ASP 3 3 11073 1 . GLY 4 4 11073 1 . ASP 5 5 11073 1 . ALA 6 6 11073 1 . LEU 7 7 11073 1 . LEU 8 8 11073 1 . LYS 9 9 11073 1 . PRO 10 10 11073 1 . CYS 11 11 11073 1 . LYS 12 12 11073 1 . LEU 13 13 11073 1 . GLY 14 14 11073 1 . ASP 15 15 11073 1 . MET 16 16 11073 1 . GLN 17 17 11073 1 . CYS 18 18 11073 1 . LEU 19 19 11073 1 . SER 20 20 11073 1 . SER 21 21 11073 1 . ALA 22 22 11073 1 . THR 23 23 11073 1 . GLU 24 24 11073 1 . GLN 25 25 11073 1 . PHE 26 26 11073 1 . LEU 27 27 11073 1 . GLU 28 28 11073 1 . LYS 29 29 11073 1 . THR 30 30 11073 1 . SER 31 31 11073 1 . LYS 32 32 11073 1 . GLY 33 33 11073 1 . ILE 34 34 11073 1 . PRO 35 35 11073 1 . GLN 36 36 11073 1 . TYR 37 37 11073 1 . ASP 38 38 11073 1 . ILE 39 39 11073 1 . TRP 40 40 11073 1 . PRO 41 41 11073 1 . ILE 42 42 11073 1 . ASP 43 43 11073 1 . PRO 44 44 11073 1 . LEU 45 45 11073 1 . VAL 46 46 11073 1 . VAL 47 47 11073 1 . THR 48 48 11073 1 . SER 49 49 11073 1 . LEU 50 50 11073 1 . ASP 51 51 11073 1 . VAL 52 52 11073 1 . ILE 53 53 11073 1 . ALA 54 54 11073 1 . PRO 55 55 11073 1 . SER 56 56 11073 1 . ASP 57 57 11073 1 . ALA 58 58 11073 1 . GLY 59 59 11073 1 . ILE 60 60 11073 1 . VAL 61 61 11073 1 . ILE 62 62 11073 1 . ARG 63 63 11073 1 . PHE 64 64 11073 1 . LYS 65 65 11073 1 . ASN 66 66 11073 1 . LEU 67 67 11073 1 . ASN 68 68 11073 1 . ILE 69 69 11073 1 . THR 70 70 11073 1 . GLY 71 71 11073 1 . LEU 72 72 11073 1 . LYS 73 73 11073 1 . ASN 74 74 11073 1 . GLN 75 75 11073 1 . GLN 76 76 11073 1 . ILE 77 77 11073 1 . SER 78 78 11073 1 . ASP 79 79 11073 1 . PHE 80 80 11073 1 . GLN 81 81 11073 1 . MET 82 82 11073 1 . ASP 83 83 11073 1 . THR 84 84 11073 1 . LYS 85 85 11073 1 . ALA 86 86 11073 1 . LYS 87 87 11073 1 . THR 88 88 11073 1 . VAL 89 89 11073 1 . LEU 90 90 11073 1 . LEU 91 91 11073 1 . LYS 92 92 11073 1 . THR 93 93 11073 1 . LYS 94 94 11073 1 . ALA 95 95 11073 1 . ASP 96 96 11073 1 . LEU 97 97 11073 1 . HIS 98 98 11073 1 . ILE 99 99 11073 1 . VAL 100 100 11073 1 . GLY 101 101 11073 1 . ASP 102 102 11073 1 . ILE 103 103 11073 1 . VAL 104 104 11073 1 . ILE 105 105 11073 1 . GLU 106 106 11073 1 . LEU 107 107 11073 1 . THR 108 108 11073 1 . GLU 109 109 11073 1 . GLN 110 110 11073 1 . SER 111 111 11073 1 . LYS 112 112 11073 1 . SER 113 113 11073 1 . PHE 114 114 11073 1 . THR 115 115 11073 1 . GLY 116 116 11073 1 . LEU 117 117 11073 1 . TYR 118 118 11073 1 . THR 119 119 11073 1 . ALA 120 120 11073 1 . ASP 121 121 11073 1 . THR 122 122 11073 1 . ASN 123 123 11073 1 . VAL 124 124 11073 1 . ILE 125 125 11073 1 . GLY 126 126 11073 1 . ALA 127 127 11073 1 . VAL 128 128 11073 1 . ARG 129 129 11073 1 . TYR 130 130 11073 1 . GLY 131 131 11073 1 . TYR 132 132 11073 1 . ASN 133 133 11073 1 . LEU 134 134 11073 1 . LYS 135 135 11073 1 . ASN 136 136 11073 1 . ASP 137 137 11073 1 . ASP 138 138 11073 1 . ASN 139 139 11073 1 . GLY 140 140 11073 1 . VAL 141 141 11073 1 . GLN 142 142 11073 1 . HIS 143 143 11073 1 . PHE 144 144 11073 1 . GLU 145 145 11073 1 . VAL 146 146 11073 1 . GLN 147 147 11073 1 . PRO 148 148 11073 1 . GLU 149 149 11073 1 . THR 150 150 11073 1 . PHE 151 151 11073 1 . THR 152 152 11073 1 . CYS 153 153 11073 1 . GLU 154 154 11073 1 . SER 155 155 11073 1 . ILE 156 156 11073 1 . GLY 157 157 11073 1 . GLU 158 158 11073 1 . PRO 159 159 11073 1 . LYS 160 160 11073 1 . ILE 161 161 11073 1 . THR 162 162 11073 1 . LEU 163 163 11073 1 . SER 164 164 11073 1 . SER 165 165 11073 1 . ASP 166 166 11073 1 . LEU 167 167 11073 1 . SER 168 168 11073 1 . SER 169 169 11073 1 . ALA 170 170 11073 1 . LEU 171 171 11073 1 . GLU 172 172 11073 1 . LYS 173 173 11073 1 . ASP 174 174 11073 1 . SER 175 175 11073 1 . GLY 176 176 11073 1 . ASN 177 177 11073 1 . ASN 178 178 11073 1 . SER 179 179 11073 1 . LEU 180 180 11073 1 . GLU 181 181 11073 1 . PRO 182 182 11073 1 . ASP 183 183 11073 1 . MET 184 184 11073 1 . GLU 185 185 11073 1 . PRO 186 186 11073 1 . LEU 187 187 11073 1 . LYS 188 188 11073 1 . THR 189 189 11073 1 . LEU 190 190 11073 1 . ARG 191 191 11073 1 . GLN 192 192 11073 1 . ALA 193 193 11073 1 . ALA 194 194 11073 1 . ILE 195 195 11073 1 . CYS 196 196 11073 1 . LYS 197 197 11073 1 . ILE 198 198 11073 1 . ALA 199 199 11073 1 . GLU 200 200 11073 1 . ALA 201 201 11073 1 . CYS 202 202 11073 1 . TYR 203 203 11073 1 . ILE 204 204 11073 1 . SER 205 205 11073 1 . VAL 206 206 11073 1 . VAL 207 207 11073 1 . HIS 208 208 11073 1 . ASN 209 209 11073 1 . ILE 210 210 11073 1 . ARG 211 211 11073 1 . ALA 212 212 11073 1 . SER 213 213 11073 1 . ALA 214 214 11073 1 . LYS 215 215 11073 1 . ILE 216 216 11073 1 . LEU 217 217 11073 1 . PRO 218 218 11073 1 . ALA 219 219 11073 1 . SER 220 220 11073 1 . SER 221 221 11073 1 . PHE 222 222 11073 1 . PHE 223 223 11073 1 . GLU 224 224 11073 1 . ASN 225 225 11073 1 . LEU 226 226 11073 1 . ASN 227 227 11073 1 stop_ save_ save_JH3 _Entity.Sf_category entity _Entity.Sf_framecode JH3 _Entity.Entry_ID 11073 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name JH3 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID JH3 _Entity.Nonpolymer_comp_label $chem_comp_JH3 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . JH3 . 11073 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11073 _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 $hJHBP . 7091 organism . 'Bombyx mori' Silkworm . . Eukaryota Metazoa Bombyx mori . . . . . . . . . . . . . . . . . . . . . 11073 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 11073 _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 $hJHBP . 'recombinant technology' 'Escherichia coli' . . 511693 Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-2T . . . . . . 11073 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_JH3 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_JH3 _Chem_comp.Entry_ID 11073 _Chem_comp.ID JH3 _Chem_comp.Provenance . _Chem_comp.Name 'methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code JH3 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2009-05-07 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code JH3 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms 'JH III, juvenile hormone III' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C16 H26 O3' _Chem_comp.Formula_weight 266.376 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2RQF _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 7 14:58:51 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C SMILES 'OpenEye OEToolkits' 1.5.0 11073 JH3 C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11073 JH3 COC(=O)\C=C(/C)CC\C=C(/C)CC[C@H]1OC1(C)C SMILES_CANONICAL CACTVS 3.341 11073 JH3 COC(=O)C=C(C)CCC=C(C)CC[CH]1OC1(C)C SMILES CACTVS 3.341 11073 JH3 InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1 InChI InChI 1.03 11073 JH3 O=C(OC)\C=C(\CC/C=C(/CCC1OC1(C)C)C)C SMILES ACDLabs 10.04 11073 JH3 QVJMXSGZTCGLHZ-HONBPKQLSA-N InChIKey InChI 1.03 11073 JH3 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11073 JH3 'methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate' 'SYSTEMATIC NAME' ACDLabs 10.04 11073 JH3 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 0.237 . 10.926 . 4.904 . 5.069 0.641 0.125 1 . 11073 JH3 O2 . O2 . . O . . N 0 . . . . no no . . . . 1.371 . 11.105 . 4.444 . 5.771 -0.137 0.740 2 . 11073 JH3 O1 . O1 . . O . . N 0 . . . . no no . . . . -0.342 . 9.689 . 5.151 . 5.630 1.650 -0.571 3 . 11073 JH3 CM . CM . . C . . N 0 . . . . no no . . . . 0.428 . 8.505 . 4.850 . 7.078 1.745 -0.542 4 . 11073 JH3 C2 . C2 . . C . . N 0 . . . . no no . . . . -0.716 . 12.049 . 5.282 . 3.608 0.479 0.136 5 . 11073 JH3 C3 . C3 . . C . . N 0 . . . . no no . . . . -0.885 . 12.668 . 6.467 . 3.062 -0.594 0.703 6 . 11073 JH3 C3' . C3' . . C . . N 0 . . . . no no . . . . -0.083 . 12.340 . 7.717 . 3.939 -1.723 1.179 7 . 11073 JH3 C4 . C4 . . C . . N 0 . . . . no no . . . . -1.911 . 13.792 . 6.600 . 1.567 -0.680 0.868 8 . 11073 JH3 C5 . C5 . . C . . N 0 . . . . no no . . . . -1.731 . 14.890 . 5.529 . 0.967 -1.449 -0.311 9 . 11073 JH3 C6 . C6 . . C . . N 0 . . . . no no . . . . -0.331 . 15.480 . 5.542 . -0.529 -1.535 -0.146 10 . 11073 JH3 C7 . C7 . . C . . N 0 . . . . no no . . . . 0.670 . 15.255 . 4.671 . -1.319 -1.026 -1.058 11 . 11073 JH3 C7' . C7' . . C . . N 0 . . . . no no . . . . 0.523 . 14.356 . 3.452 . -0.738 -0.239 -2.204 12 . 11073 JH3 C8 . C8 . . C . . N 0 . . . . no no . . . . 2.014 . 15.958 . 4.849 . -2.809 -1.229 -0.962 13 . 11073 JH3 C9 . C9 . . C . . N 0 . . . . no no . . . . 3.181 . 14.973 . 5.069 . -3.444 -0.025 -0.264 14 . 11073 JH3 CA . CA . . C . . R 0 . . . . no no . . . . 4.489 . 15.465 . 4.415 . -4.957 -0.231 -0.167 15 . 11073 JH3 O3 . O3 . . O . . N 0 . . . . no no . . . . 5.038 . 14.491 . 3.489 . -5.532 -0.335 1.137 16 . 11073 JH3 CB . CB . . C . . N 0 . . . . no no . . . . 4.636 . 15.773 . 2.946 . -5.791 0.892 0.452 17 . 11073 JH3 CB' . CB' . . C . . N 0 . . . . no no . . . . 5.852 . 16.604 . 2.507 . -7.201 1.119 -0.097 18 . 11073 JH3 CC . CC . . C . . N 0 . . . . no no . . . . 3.476 . 15.631 . 1.943 . -5.055 2.145 0.932 19 . 11073 JH3 HM . HM . . H . . N 0 . . . . no no . . . . 0.624 . 8.459 . 3.769 . 7.398 2.598 -1.141 20 . 11073 JH3 HMA . HMA . . H . . N 0 . . . . no no . . . . 1.383 . 8.541 . 5.394 . 7.413 1.879 0.487 21 . 11073 JH3 HMB . HMB . . H . . N 0 . . . . no no . . . . -0.137 . 7.613 . 5.158 . 7.511 0.832 -0.949 22 . 11073 JH3 H2 . H2 . . H . . N 0 . . . . no no . . . . -1.351 . 12.403 . 4.483 . 2.978 1.231 -0.316 23 . 11073 JH3 H3' . H3' . . H . . N 0 . . . . no no . . . . 0.983 . 12.261 . 7.459 . 4.311 -1.497 2.179 24 . 11073 JH3 H3'A . H3'A . . H . . N 0 . . . . no no . . . . -0.222 . 13.138 . 8.461 . 3.360 -2.646 1.207 25 . 11073 JH3 H3'B . H3'B . . H . . N 0 . . . . no no . . . . -0.431 . 11.384 . 8.135 . 4.780 -1.843 0.497 26 . 11073 JH3 H4 . H4 . . H . . N 0 . . . . no no . . . . -2.917 . 13.360 . 6.490 . 1.333 -1.200 1.797 27 . 11073 JH3 H4A . H4A . . H . . N 0 . . . . no no . . . . -1.770 . 14.259 . 7.586 . 1.146 0.325 0.899 28 . 11073 JH3 H5 . H5 . . H . . N 0 . . . . no no . . . . -1.916 . 14.448 . 4.539 . 1.200 -0.929 -1.240 29 . 11073 JH3 H5A . H5A . . H . . N 0 . . . . no no . . . . -2.442 . 15.699 . 5.750 . 1.387 -2.454 -0.341 30 . 11073 JH3 H6 . H6 . . H . . N 0 . . . . no no . . . . -0.112 . 16.164 . 6.349 . -0.949 -2.016 0.725 31 . 11073 JH3 H7' . H7' . . H . . N 0 . . . . no no . . . . 0.488 . 14.974 . 2.542 . -0.436 -0.922 -2.998 32 . 11073 JH3 H7'A . H7'A . . H . . N 0 . . . . no no . . . . 1.382 . 13.671 . 3.396 . -1.488 0.454 -2.586 33 . 11073 JH3 H7'B . H7'B . . H . . N 0 . . . . no no . . . . -0.407 . 13.774 . 3.536 . 0.131 0.321 -1.857 34 . 11073 JH3 H8 . H8 . . H . . N 0 . . . . no no . . . . 2.221 . 16.544 . 3.941 . -3.227 -1.331 -1.964 35 . 11073 JH3 H8A . H8A . . H . . N 0 . . . . no no . . . . 1.941 . 16.593 . 5.745 . -3.017 -2.133 -0.389 36 . 11073 JH3 H9 . H9 . . H . . N 0 . . . . no no . . . . 3.349 . 14.865 . 6.151 . -3.026 0.076 0.737 37 . 11073 JH3 H9A . H9A . . H . . N 0 . . . . no no . . . . 2.908 . 14.014 . 4.604 . -3.236 0.878 -0.838 38 . 11073 JH3 HA . HA . . H . . N 0 . . . . no no . . . . 4.767 . 16.052 . 5.303 . -5.407 -0.816 -0.969 39 . 11073 JH3 HB' . HB' . . H . . N 0 . . . . no no . . . . 5.790 . 16.803 . 1.427 . -7.794 0.215 0.040 40 . 11073 JH3 HB'A . HB'A . . H . . N 0 . . . . no no . . . . 5.861 . 17.558 . 3.055 . -7.670 1.946 0.437 41 . 11073 JH3 HB'B . HB'B . . H . . N 0 . . . . no no . . . . 6.775 . 16.046 . 2.725 . -7.143 1.359 -1.158 42 . 11073 JH3 HC . HC . . H . . N 0 . . . . no no . . . . 2.521 . 15.597 . 2.488 . -4.536 2.606 0.092 43 . 11073 JH3 HCA . HCA . . H . . N 0 . . . . no no . . . . 3.476 . 16.492 . 1.258 . -5.774 2.852 1.347 44 . 11073 JH3 HCB . HCB . . H . . N 0 . . . . no no . . . . 3.602 . 14.703 . 1.366 . -4.332 1.870 1.700 45 . 11073 JH3 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O2 no N 1 . 11073 JH3 2 . SING C1 O1 no N 2 . 11073 JH3 3 . SING C1 C2 no N 3 . 11073 JH3 4 . SING O1 CM no N 4 . 11073 JH3 5 . SING CM HM no N 5 . 11073 JH3 6 . SING CM HMA no N 6 . 11073 JH3 7 . SING CM HMB no N 7 . 11073 JH3 8 . DOUB C2 C3 no E 8 . 11073 JH3 9 . SING C2 H2 no N 9 . 11073 JH3 10 . SING C3 C3' no N 10 . 11073 JH3 11 . SING C3 C4 no N 11 . 11073 JH3 12 . SING C3' H3' no N 12 . 11073 JH3 13 . SING C3' H3'A no N 13 . 11073 JH3 14 . SING C3' H3'B no N 14 . 11073 JH3 15 . SING C4 C5 no N 15 . 11073 JH3 16 . SING C4 H4 no N 16 . 11073 JH3 17 . SING C4 H4A no N 17 . 11073 JH3 18 . SING C5 C6 no N 18 . 11073 JH3 19 . SING C5 H5 no N 19 . 11073 JH3 20 . SING C5 H5A no N 20 . 11073 JH3 21 . DOUB C6 C7 no E 21 . 11073 JH3 22 . SING C6 H6 no N 22 . 11073 JH3 23 . SING C7 C7' no N 23 . 11073 JH3 24 . SING C7 C8 no N 24 . 11073 JH3 25 . SING C7' H7' no N 25 . 11073 JH3 26 . SING C7' H7'A no N 26 . 11073 JH3 27 . SING C7' H7'B no N 27 . 11073 JH3 28 . SING C8 C9 no N 28 . 11073 JH3 29 . SING C8 H8 no N 29 . 11073 JH3 30 . SING C8 H8A no N 30 . 11073 JH3 31 . SING C9 CA no N 31 . 11073 JH3 32 . SING C9 H9 no N 32 . 11073 JH3 33 . SING C9 H9A no N 33 . 11073 JH3 34 . SING CA O3 no N 34 . 11073 JH3 35 . SING CA CB no N 35 . 11073 JH3 36 . SING CA HA no N 36 . 11073 JH3 37 . SING O3 CB no N 37 . 11073 JH3 38 . SING CB CB' no N 38 . 11073 JH3 39 . SING CB CC no N 39 . 11073 JH3 40 . SING CB' HB' no N 40 . 11073 JH3 41 . SING CB' HB'A no N 41 . 11073 JH3 42 . SING CB' HB'B no N 42 . 11073 JH3 43 . SING CC HC no N 43 . 11073 JH3 44 . SING CC HCA no N 44 . 11073 JH3 45 . SING CC HCB no N 45 . 11073 JH3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 11073 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hJHBP [U-15N] . . 1 $hJHBP . . . 0.6 1.0 mM . . . . 11073 1 2 'JH III' 'natural abundance' . . 2 $JH3 . . . 0.6 1.0 mM . . . . 11073 1 3 'sodium phosphate' 'natural abundance' . . . . . . 45 . . mM . . . . 11073 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11073 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11073 1 stop_ save_ save_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N _Sample.Entry_ID 11073 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hJHBP '[U-13C; U-15N]' . . 1 $hJHBP . . . 0.6 1.0 mM . . . . 11073 2 2 'JH III' 'natural abundance' . . 2 $JH3 . . . 0.6 1.0 mM . . . . 11073 2 3 'sodium phosphate' 'natural abundance' . . . . . . 45 . . mM . . . . 11073 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 11073 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 11073 2 stop_ save_ save_13C_15N_in_100%_D2O _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_in_100%_D2O _Sample.Entry_ID 11073 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hJHBP '[U-13C; U-15N]' . . 1 $hJHBP . . . 0.6 1.0 mM . . . . 11073 3 2 'JH III' 'natural abundance' . . 2 $JH3 . . . 0.6 1.0 mM . . . . 11073 3 3 'sodium phosphate' 'natural abundance' . . . . . . 45 . . mM . . . . 11073 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 11073 3 stop_ save_ ####################### # Sample conditions # ####################### save_pH_6.0_35C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH_6.0_35C _Sample_condition_list.Entry_ID 11073 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 11073 1 pressure 1 . atm 11073 1 temperature 308 . K 11073 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11073 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11073 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11073 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11073 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'released at Feb 10, 2006' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11073 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11073 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11073 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11073 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11073 3 'peak picking' 11073 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11073 _Software.ID 4 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11073 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11073 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11073 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11073 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11073 5 'structure solution' 11073 5 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 11073 _Software.ID 6 _Software.Name AQUA _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rullmann, Doreleijers and Kaptein' . . 11073 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11073 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 11073 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 11073 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11073 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_DMX750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode DMX750 _NMR_spectrometer.Entry_ID 11073 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11073 _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 DMX750 Bruker DMX . 750 . . . 11073 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 11073 _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 $15N isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 4 '3D HNCO' no . . . . . . . . . . 2 $13C_15N isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $13C_15N isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 6 '3D HNCA' no . . . . . . . . . . 2 $13C_15N isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 7 '3D HCABGCO' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 9 '3D 15N-separated HOHAHA-HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 10 '3D 15N-separated NOESY-HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 11 '3D 13C/15N-separated NOESY-HSQC' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 12 '3D 13C-separated NOESY-HSQC' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 13 '3D 13C/13C-separated NOESY-HSQC' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 14 '2D 13C-filtered COSY' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 15 '2D 13C-filtered NOESY' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 16 '3D 13C-filtered/13C-selected NOESY-HSQC' no . . . . . . . . . . 3 $13C_15N_in_100%_D2O isotropic . . 1 $pH_6.0_35C . . . 1 $DMX750 . . . . . . . . . . . . . . . . 11073 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 11073 _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 TSP 'methyl carbons' . . . . ppm 0.00 external direct 1 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 11073 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 11073 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0.00 external direct 1 'separate tube (no insert) not similar to the experimental sample tube' . . . . . . . . 11073 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 11073 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_6.0_35C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $15N isotropic 11073 1 3 '2D 1H-13C HSQC' 3 $13C_15N_in_100%_D2O isotropic 11073 1 4 '3D HNCO' 2 $13C_15N isotropic 11073 1 5 '3D CBCA(CO)NH' 2 $13C_15N isotropic 11073 1 6 '3D HNCA' 2 $13C_15N isotropic 11073 1 7 '3D HCABGCO' 3 $13C_15N_in_100%_D2O isotropic 11073 1 8 '3D HCCH-TOCSY' 3 $13C_15N_in_100%_D2O isotropic 11073 1 9 '3D 15N-separated HOHAHA-HSQC' 1 $15N isotropic 11073 1 10 '3D 15N-separated NOESY-HSQC' 1 $15N isotropic 11073 1 11 '3D 13C/15N-separated NOESY-HSQC' 3 $13C_15N_in_100%_D2O isotropic 11073 1 12 '3D 13C-separated NOESY-HSQC' 3 $13C_15N_in_100%_D2O isotropic 11073 1 13 '3D 13C/13C-separated NOESY-HSQC' 3 $13C_15N_in_100%_D2O isotropic 11073 1 15 '2D 13C-filtered NOESY' 3 $13C_15N_in_100%_D2O isotropic 11073 1 16 '3D 13C-filtered/13C-selected NOESY-HSQC' 3 $13C_15N_in_100%_D2O isotropic 11073 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 11073 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 3.910 0.004 9 2 . . . . -2 G QA . 11073 1 2 . 1 1 1 1 GLY HA3 H 1 3.910 0.004 9 2 . . . . -2 G QA . 11073 1 3 . 1 1 1 1 GLY C C 13 170.185 . 1 1 . . . . -2 G C . 11073 1 4 . 1 1 1 1 GLY CA C 13 43.123 0.070 11 1 . . . . -2 G CA . 11073 1 5 . 1 1 2 2 SER HA H 1 4.565 0.006 16 1 . . . . -1 S HA . 11073 1 6 . 1 1 2 2 SER HB2 H 1 3.897 0.003 5 2 . . . . -1 S HB2 . 11073 1 7 . 1 1 2 2 SER HB3 H 1 3.864 0.004 4 2 . . . . -1 S HB3 . 11073 1 8 . 1 1 2 2 SER C C 13 174.290 0.018 2 1 . . . . -1 S C . 11073 1 9 . 1 1 2 2 SER CA C 13 58.045 0.064 15 1 . . . . -1 S CA . 11073 1 10 . 1 1 2 2 SER CB C 13 63.736 0.045 7 1 . . . . -1 S CB . 11073 1 11 . 1 1 3 3 ASP H H 1 8.550 0.002 12 1 . . . . 1 D H . 11073 1 12 . 1 1 3 3 ASP HA H 1 4.579 0.010 17 1 . . . . 1 D HA . 11073 1 13 . 1 1 3 3 ASP HB2 H 1 2.686 0.008 2 2 . . . . 1 D HB2 . 11073 1 14 . 1 1 3 3 ASP HB3 H 1 2.634 0.012 3 2 . . . . 1 D HB3 . 11073 1 15 . 1 1 3 3 ASP C C 13 176.780 0.002 2 1 . . . . 1 D C . 11073 1 16 . 1 1 3 3 ASP CA C 13 54.599 0.116 19 1 . . . . 1 D CA . 11073 1 17 . 1 1 3 3 ASP CB C 13 40.834 0.096 21 1 . . . . 1 D CB . 11073 1 18 . 1 1 3 3 ASP CG C 13 177.807 . 1 1 . . . . 1 D CG . 11073 1 19 . 1 1 3 3 ASP N N 15 122.491 0.042 11 1 . . . . 1 D N . 11073 1 20 . 1 1 4 4 GLY H H 1 8.315 0.003 16 1 . . . . 2 G H . 11073 1 21 . 1 1 4 4 GLY HA2 H 1 3.874 0.007 25 2 . . . . 2 G QA . 11073 1 22 . 1 1 4 4 GLY HA3 H 1 3.874 0.007 25 2 . . . . 2 G QA . 11073 1 23 . 1 1 4 4 GLY C C 13 173.864 0.010 2 1 . . . . 2 G C . 11073 1 24 . 1 1 4 4 GLY CA C 13 45.579 0.069 27 1 . . . . 2 G CA . 11073 1 25 . 1 1 4 4 GLY N N 15 108.844 0.036 13 1 . . . . 2 G N . 11073 1 26 . 1 1 5 5 ASP H H 1 8.009 0.002 16 1 . . . . 3 D H . 11073 1 27 . 1 1 5 5 ASP HA H 1 4.536 0.006 14 1 . . . . 3 D HA . 11073 1 28 . 1 1 5 5 ASP HB2 H 1 2.632 0.013 9 2 . . . . 3 D QB . 11073 1 29 . 1 1 5 5 ASP HB3 H 1 2.632 0.013 9 2 . . . . 3 D QB . 11073 1 30 . 1 1 5 5 ASP C C 13 175.715 0.004 2 1 . . . . 3 D C . 11073 1 31 . 1 1 5 5 ASP CA C 13 54.412 0.068 15 1 . . . . 3 D CA . 11073 1 32 . 1 1 5 5 ASP CB C 13 40.961 0.060 9 1 . . . . 3 D CB . 11073 1 33 . 1 1 5 5 ASP CG C 13 179.932 . 1 1 . . . . 3 D CG . 11073 1 34 . 1 1 5 5 ASP N N 15 119.935 0.033 14 1 . . . . 3 D N . 11073 1 35 . 1 1 6 6 ALA H H 1 7.839 0.002 32 1 . . . . 4 A H . 11073 1 36 . 1 1 6 6 ALA HA H 1 4.309 0.006 22 1 . . . . 4 A HA . 11073 1 37 . 1 1 6 6 ALA HB1 H 1 1.357 0.005 32 1 . . . . 4 A MB . 11073 1 38 . 1 1 6 6 ALA HB2 H 1 1.357 0.005 32 1 . . . . 4 A MB . 11073 1 39 . 1 1 6 6 ALA HB3 H 1 1.357 0.005 32 1 . . . . 4 A MB . 11073 1 40 . 1 1 6 6 ALA C C 13 177.536 0.012 2 1 . . . . 4 A C . 11073 1 41 . 1 1 6 6 ALA CA C 13 51.918 0.083 23 1 . . . . 4 A CA . 11073 1 42 . 1 1 6 6 ALA CB C 13 19.185 0.092 34 1 . . . . 4 A CB . 11073 1 43 . 1 1 6 6 ALA N N 15 123.035 0.026 30 1 . . . . 4 A N . 11073 1 44 . 1 1 7 7 LEU H H 1 8.329 0.003 27 1 . . . . 5 L H . 11073 1 45 . 1 1 7 7 LEU HA H 1 3.986 0.008 25 1 . . . . 5 L HA . 11073 1 46 . 1 1 7 7 LEU HB2 H 1 1.512 0.010 11 2 . . . . 5 L HB2 . 11073 1 47 . 1 1 7 7 LEU HB3 H 1 1.641 0.006 8 2 . . . . 5 L HB3 . 11073 1 48 . 1 1 7 7 LEU HD11 H 1 0.754 0.010 29 2 . . . . 5 L MD1 . 11073 1 49 . 1 1 7 7 LEU HD12 H 1 0.754 0.010 29 2 . . . . 5 L MD1 . 11073 1 50 . 1 1 7 7 LEU HD13 H 1 0.754 0.010 29 2 . . . . 5 L MD1 . 11073 1 51 . 1 1 7 7 LEU HD21 H 1 0.698 0.010 29 2 . . . . 5 L MD2 . 11073 1 52 . 1 1 7 7 LEU HD22 H 1 0.698 0.010 29 2 . . . . 5 L MD2 . 11073 1 53 . 1 1 7 7 LEU HD23 H 1 0.698 0.010 29 2 . . . . 5 L MD2 . 11073 1 54 . 1 1 7 7 LEU HG H 1 1.718 0.007 19 1 . . . . 5 L HG . 11073 1 55 . 1 1 7 7 LEU C C 13 174.572 0.003 2 1 . . . . 5 L C . 11073 1 56 . 1 1 7 7 LEU CA C 13 57.225 0.119 27 1 . . . . 5 L CA . 11073 1 57 . 1 1 7 7 LEU CB C 13 42.878 0.103 24 1 . . . . 5 L CB . 11073 1 58 . 1 1 7 7 LEU CD1 C 13 24.416 0.111 16 2 . . . . 5 L CD1 . 11073 1 59 . 1 1 7 7 LEU CD2 C 13 23.903 0.081 20 2 . . . . 5 L CD2 . 11073 1 60 . 1 1 7 7 LEU CG C 13 26.911 0.108 18 1 . . . . 5 L CG . 11073 1 61 . 1 1 7 7 LEU N N 15 120.551 0.028 24 1 . . . . 5 L N . 11073 1 62 . 1 1 8 8 LEU H H 1 7.080 0.002 40 1 . . . . 6 L H . 11073 1 63 . 1 1 8 8 LEU HA H 1 4.441 0.004 24 1 . . . . 6 L HA . 11073 1 64 . 1 1 8 8 LEU HB2 H 1 1.460 0.004 25 2 . . . . 6 L HB2 . 11073 1 65 . 1 1 8 8 LEU HB3 H 1 1.121 0.010 29 2 . . . . 6 L HB3 . 11073 1 66 . 1 1 8 8 LEU HD11 H 1 0.120 0.006 66 2 . . . . 6 L MD1 . 11073 1 67 . 1 1 8 8 LEU HD12 H 1 0.120 0.006 66 2 . . . . 6 L MD1 . 11073 1 68 . 1 1 8 8 LEU HD13 H 1 0.120 0.006 66 2 . . . . 6 L MD1 . 11073 1 69 . 1 1 8 8 LEU HD21 H 1 0.276 0.013 59 2 . . . . 6 L MD2 . 11073 1 70 . 1 1 8 8 LEU HD22 H 1 0.276 0.013 59 2 . . . . 6 L MD2 . 11073 1 71 . 1 1 8 8 LEU HD23 H 1 0.276 0.013 59 2 . . . . 6 L MD2 . 11073 1 72 . 1 1 8 8 LEU HG H 1 1.082 0.010 17 1 . . . . 6 L HG . 11073 1 73 . 1 1 8 8 LEU C C 13 174.500 0.004 2 1 . . . . 6 L C . 11073 1 74 . 1 1 8 8 LEU CA C 13 53.400 0.044 27 1 . . . . 6 L CA . 11073 1 75 . 1 1 8 8 LEU CB C 13 44.696 0.066 46 1 . . . . 6 L CB . 11073 1 76 . 1 1 8 8 LEU CD1 C 13 25.542 0.100 42 2 . . . . 6 L CD1 . 11073 1 77 . 1 1 8 8 LEU CD2 C 13 25.345 0.085 47 2 . . . . 6 L CD2 . 11073 1 78 . 1 1 8 8 LEU CG C 13 26.412 0.075 14 1 . . . . 6 L CG . 11073 1 79 . 1 1 8 8 LEU N N 15 112.364 0.033 36 1 . . . . 6 L N . 11073 1 80 . 1 1 9 9 LYS H H 1 7.231 0.003 33 1 . . . . 7 K H . 11073 1 81 . 1 1 9 9 LYS HA H 1 4.709 0.010 25 1 . . . . 7 K HA . 11073 1 82 . 1 1 9 9 LYS HB2 H 1 1.716 0.008 7 2 . . . . 7 K HB2 . 11073 1 83 . 1 1 9 9 LYS HB3 H 1 1.659 0.009 11 2 . . . . 7 K HB3 . 11073 1 84 . 1 1 9 9 LYS HD2 H 1 1.629 0.012 14 2 . . . . 7 K QD . 11073 1 85 . 1 1 9 9 LYS HD3 H 1 1.629 0.012 14 2 . . . . 7 K QD . 11073 1 86 . 1 1 9 9 LYS HE2 H 1 3.010 0.005 4 2 . . . . 7 K HE2 . 11073 1 87 . 1 1 9 9 LYS HE3 H 1 2.932 0.005 5 2 . . . . 7 K HE3 . 11073 1 88 . 1 1 9 9 LYS HG2 H 1 1.358 0.013 8 2 . . . . 7 K HG2 . 11073 1 89 . 1 1 9 9 LYS HG3 H 1 1.289 0.006 11 2 . . . . 7 K HG3 . 11073 1 90 . 1 1 9 9 LYS C C 13 172.206 . 1 1 . . . . 7 K C . 11073 1 91 . 1 1 9 9 LYS CA C 13 52.343 0.096 30 1 . . . . 7 K CA . 11073 1 92 . 1 1 9 9 LYS CB C 13 33.493 0.081 35 1 . . . . 7 K CB . 11073 1 93 . 1 1 9 9 LYS CD C 13 29.122 0.071 14 1 . . . . 7 K CD . 11073 1 94 . 1 1 9 9 LYS CG C 13 23.998 0.077 21 1 . . . . 7 K CG . 11073 1 95 . 1 1 9 9 LYS N N 15 122.033 0.034 31 1 . . . . 7 K N . 11073 1 96 . 1 1 10 10 PRO HA H 1 4.156 0.010 14 1 . . . . 8 P HA . 11073 1 97 . 1 1 10 10 PRO HB2 H 1 1.898 0.004 7 2 . . . . 8 P HB2 . 11073 1 98 . 1 1 10 10 PRO HB3 H 1 1.471 0.011 18 2 . . . . 8 P HB3 . 11073 1 99 . 1 1 10 10 PRO HD2 H 1 3.655 0.011 10 2 . . . . 8 P HD2 . 11073 1 100 . 1 1 10 10 PRO HD3 H 1 3.580 0.010 9 2 . . . . 8 P HD3 . 11073 1 101 . 1 1 10 10 PRO HG2 H 1 1.972 0.014 7 2 . . . . 8 P QG . 11073 1 102 . 1 1 10 10 PRO HG3 H 1 1.972 0.014 7 2 . . . . 8 P QG . 11073 1 103 . 1 1 10 10 PRO C C 13 177.604 . 2 1 . . . . 8 P C . 11073 1 104 . 1 1 10 10 PRO CA C 13 61.669 0.132 18 1 . . . . 8 P CA . 11073 1 105 . 1 1 10 10 PRO CB C 13 32.467 0.129 19 1 . . . . 8 P CB . 11073 1 106 . 1 1 10 10 PRO CD C 13 50.072 0.078 16 1 . . . . 8 P CD . 11073 1 107 . 1 1 10 10 PRO CG C 13 26.871 0.087 14 1 . . . . 8 P CG . 11073 1 108 . 1 1 11 11 CYS H H 1 7.419 0.004 34 1 . . . . 9 C H . 11073 1 109 . 1 1 11 11 CYS HA H 1 5.332 0.007 22 1 . . . . 9 C HA . 11073 1 110 . 1 1 11 11 CYS HB2 H 1 3.282 0.009 15 2 . . . . 9 C HB2 . 11073 1 111 . 1 1 11 11 CYS HB3 H 1 2.448 0.008 20 2 . . . . 9 C HB3 . 11073 1 112 . 1 1 11 11 CYS C C 13 175.643 0.003 2 1 . . . . 9 C C . 11073 1 113 . 1 1 11 11 CYS CA C 13 51.793 0.072 23 1 . . . . 9 C CA . 11073 1 114 . 1 1 11 11 CYS CB C 13 42.786 0.095 28 1 . . . . 9 C CB . 11073 1 115 . 1 1 11 11 CYS N N 15 115.598 0.036 31 1 . . . . 9 C N . 11073 1 116 . 1 1 12 12 LYS H H 1 9.479 0.004 36 1 . . . . 10 K H . 11073 1 117 . 1 1 12 12 LYS HA H 1 4.596 0.008 30 1 . . . . 10 K HA . 11073 1 118 . 1 1 12 12 LYS HB2 H 1 1.874 0.009 18 2 . . . . 10 K QB . 11073 1 119 . 1 1 12 12 LYS HB3 H 1 1.874 0.009 18 2 . . . . 10 K QB . 11073 1 120 . 1 1 12 12 LYS HD2 H 1 1.772 0.009 8 2 . . . . 10 K QD . 11073 1 121 . 1 1 12 12 LYS HD3 H 1 1.772 0.009 8 2 . . . . 10 K QD . 11073 1 122 . 1 1 12 12 LYS HE2 H 1 3.073 0.001 5 2 . . . . 10 K HE2 . 11073 1 123 . 1 1 12 12 LYS HE3 H 1 3.046 0.006 7 2 . . . . 10 K HE3 . 11073 1 124 . 1 1 12 12 LYS HG2 H 1 1.701 0.009 17 2 . . . . 10 K HG2 . 11073 1 125 . 1 1 12 12 LYS HG3 H 1 1.457 0.009 15 2 . . . . 10 K HG3 . 11073 1 126 . 1 1 12 12 LYS C C 13 177.945 0.011 2 1 . . . . 10 K C . 11073 1 127 . 1 1 12 12 LYS CA C 13 56.590 0.102 28 1 . . . . 10 K CA . 11073 1 128 . 1 1 12 12 LYS CB C 13 32.639 0.102 24 1 . . . . 10 K CB . 11073 1 129 . 1 1 12 12 LYS CD C 13 29.066 0.092 13 1 . . . . 10 K CD . 11073 1 130 . 1 1 12 12 LYS CE C 13 41.805 0.092 10 1 . . . . 10 K CE . 11073 1 131 . 1 1 12 12 LYS CG C 13 25.745 0.077 37 1 . . . . 10 K CG . 11073 1 132 . 1 1 12 12 LYS N N 15 123.415 0.041 33 1 . . . . 10 K N . 11073 1 133 . 1 1 13 13 LEU H H 1 9.333 0.005 34 1 . . . . 11 L H . 11073 1 134 . 1 1 13 13 LEU HA H 1 3.995 0.006 23 1 . . . . 11 L HA . 11073 1 135 . 1 1 13 13 LEU HB2 H 1 1.498 0.011 18 2 . . . . 11 L QB . 11073 1 136 . 1 1 13 13 LEU HB3 H 1 1.498 0.011 18 2 . . . . 11 L QB . 11073 1 137 . 1 1 13 13 LEU HD11 H 1 0.709 0.008 37 2 . . . . 11 L MD1 . 11073 1 138 . 1 1 13 13 LEU HD12 H 1 0.709 0.008 37 2 . . . . 11 L MD1 . 11073 1 139 . 1 1 13 13 LEU HD13 H 1 0.709 0.008 37 2 . . . . 11 L MD1 . 11073 1 140 . 1 1 13 13 LEU HD21 H 1 0.527 0.006 53 2 . . . . 11 L MD2 . 11073 1 141 . 1 1 13 13 LEU HD22 H 1 0.527 0.006 53 2 . . . . 11 L MD2 . 11073 1 142 . 1 1 13 13 LEU HD23 H 1 0.527 0.006 53 2 . . . . 11 L MD2 . 11073 1 143 . 1 1 13 13 LEU HG H 1 1.486 0.009 21 1 . . . . 11 L HG . 11073 1 144 . 1 1 13 13 LEU C C 13 178.004 0.018 2 1 . . . . 11 L C . 11073 1 145 . 1 1 13 13 LEU CA C 13 57.142 0.070 18 1 . . . . 11 L CA . 11073 1 146 . 1 1 13 13 LEU CB C 13 41.245 0.050 21 1 . . . . 11 L CB . 11073 1 147 . 1 1 13 13 LEU CD1 C 13 24.895 0.101 17 2 . . . . 11 L CD1 . 11073 1 148 . 1 1 13 13 LEU CD2 C 13 24.247 0.157 38 2 . . . . 11 L CD2 . 11073 1 149 . 1 1 13 13 LEU CG C 13 27.193 0.108 20 1 . . . . 11 L CG . 11073 1 150 . 1 1 13 13 LEU N N 15 126.563 0.038 28 1 . . . . 11 L N . 11073 1 151 . 1 1 14 14 GLY H H 1 8.865 0.002 22 1 . . . . 12 G H . 11073 1 152 . 1 1 14 14 GLY HA2 H 1 4.356 0.007 13 2 . . . . 12 G HA2 . 11073 1 153 . 1 1 14 14 GLY HA3 H 1 3.778 0.005 8 2 . . . . 12 G HA3 . 11073 1 154 . 1 1 14 14 GLY C C 13 173.407 0.037 3 1 . . . . 12 G C . 11073 1 155 . 1 1 14 14 GLY CA C 13 45.018 0.064 17 1 . . . . 12 G CA . 11073 1 156 . 1 1 14 14 GLY N N 15 112.990 0.033 19 1 . . . . 12 G N . 11073 1 157 . 1 1 15 15 ASP H H 1 7.699 0.005 37 1 . . . . 13 D H . 11073 1 158 . 1 1 15 15 ASP HA H 1 4.889 0.007 19 1 . . . . 13 D HA . 11073 1 159 . 1 1 15 15 ASP HB2 H 1 3.335 0.010 17 2 . . . . 13 D HB2 . 11073 1 160 . 1 1 15 15 ASP HB3 H 1 2.525 0.009 13 2 . . . . 13 D HB3 . 11073 1 161 . 1 1 15 15 ASP C C 13 176.618 0.016 2 1 . . . . 13 D C . 11073 1 162 . 1 1 15 15 ASP CA C 13 52.291 0.050 18 1 . . . . 13 D CA . 11073 1 163 . 1 1 15 15 ASP CB C 13 40.390 0.082 25 1 . . . . 13 D CB . 11073 1 164 . 1 1 15 15 ASP CG C 13 181.092 0.027 2 1 . . . . 13 D CG . 11073 1 165 . 1 1 15 15 ASP N N 15 118.920 0.061 32 1 . . . . 13 D N . 11073 1 166 . 1 1 16 16 MET H H 1 8.626 0.008 27 1 . . . . 14 M H . 11073 1 167 . 1 1 16 16 MET HA H 1 4.483 0.009 33 1 . . . . 14 M HA . 11073 1 168 . 1 1 16 16 MET HB2 H 1 2.224 0.007 2 2 . . . . 14 M HB2 . 11073 1 169 . 1 1 16 16 MET HB3 H 1 2.188 . 1 2 . . . . 14 M HB3 . 11073 1 170 . 1 1 16 16 MET HE1 H 1 2.155 0.007 40 1 . . . . 14 M ME . 11073 1 171 . 1 1 16 16 MET HE2 H 1 2.155 0.007 40 1 . . . . 14 M ME . 11073 1 172 . 1 1 16 16 MET HE3 H 1 2.155 0.007 40 1 . . . . 14 M ME . 11073 1 173 . 1 1 16 16 MET HG2 H 1 2.908 0.009 27 2 . . . . 14 M HG2 . 11073 1 174 . 1 1 16 16 MET HG3 H 1 2.697 0.012 20 2 . . . . 14 M HG3 . 11073 1 175 . 1 1 16 16 MET C C 13 178.782 0.017 2 1 . . . . 14 M C . 11073 1 176 . 1 1 16 16 MET CA C 13 56.198 0.103 31 1 . . . . 14 M CA . 11073 1 177 . 1 1 16 16 MET CB C 13 30.998 0.073 22 1 . . . . 14 M CB . 11073 1 178 . 1 1 16 16 MET CE C 13 16.556 0.104 48 1 . . . . 14 M CE . 11073 1 179 . 1 1 16 16 MET CG C 13 32.344 0.071 34 1 . . . . 14 M CG . 11073 1 180 . 1 1 16 16 MET N N 15 126.237 0.029 25 1 . . . . 14 M N . 11073 1 181 . 1 1 17 17 GLN H H 1 8.307 0.005 34 1 . . . . 15 Q H . 11073 1 182 . 1 1 17 17 GLN HA H 1 4.205 0.007 22 1 . . . . 15 Q HA . 11073 1 183 . 1 1 17 17 GLN HB2 H 1 2.237 0.008 24 2 . . . . 15 Q QB . 11073 1 184 . 1 1 17 17 GLN HB3 H 1 2.237 0.008 24 2 . . . . 15 Q QB . 11073 1 185 . 1 1 17 17 GLN HE21 H 1 7.567 0.008 11 2 . . . . 15 Q HE21 . 11073 1 186 . 1 1 17 17 GLN HE22 H 1 6.873 0.001 7 2 . . . . 15 Q HE22 . 11073 1 187 . 1 1 17 17 GLN HG2 H 1 2.492 0.004 14 2 . . . . 15 Q HG2 . 11073 1 188 . 1 1 17 17 GLN HG3 H 1 2.436 0.004 12 2 . . . . 15 Q HG3 . 11073 1 189 . 1 1 17 17 GLN C C 13 178.596 0.016 2 1 . . . . 15 Q C . 11073 1 190 . 1 1 17 17 GLN CA C 13 59.176 0.099 23 1 . . . . 15 Q CA . 11073 1 191 . 1 1 17 17 GLN CB C 13 27.735 0.078 25 1 . . . . 15 Q CB . 11073 1 192 . 1 1 17 17 GLN CD C 13 180.151 0.001 2 1 . . . . 15 Q CD . 11073 1 193 . 1 1 17 17 GLN CG C 13 34.065 0.096 32 1 . . . . 15 Q CG . 11073 1 194 . 1 1 17 17 GLN N N 15 122.308 0.036 30 1 . . . . 15 Q N . 11073 1 195 . 1 1 17 17 GLN NE2 N 15 112.441 0.052 16 1 . . . . 15 Q NE2 . 11073 1 196 . 1 1 18 18 CYS H H 1 8.049 0.003 29 1 . . . . 16 C H . 11073 1 197 . 1 1 18 18 CYS HA H 1 4.218 0.009 20 1 . . . . 16 C HA . 11073 1 198 . 1 1 18 18 CYS HB2 H 1 3.064 0.007 14 2 . . . . 16 C HB2 . 11073 1 199 . 1 1 18 18 CYS HB3 H 1 2.925 0.009 16 2 . . . . 16 C HB3 . 11073 1 200 . 1 1 18 18 CYS C C 13 177.002 0.010 2 1 . . . . 16 C C . 11073 1 201 . 1 1 18 18 CYS CA C 13 59.976 0.078 19 1 . . . . 16 C CA . 11073 1 202 . 1 1 18 18 CYS CB C 13 37.513 0.082 24 1 . . . . 16 C CB . 11073 1 203 . 1 1 18 18 CYS N N 15 121.261 0.049 27 1 . . . . 16 C N . 11073 1 204 . 1 1 19 19 LEU H H 1 8.174 0.004 49 1 . . . . 17 L H . 11073 1 205 . 1 1 19 19 LEU HA H 1 4.003 0.008 22 1 . . . . 17 L HA . 11073 1 206 . 1 1 19 19 LEU HB2 H 1 1.635 0.008 29 2 . . . . 17 L QB . 11073 1 207 . 1 1 19 19 LEU HB3 H 1 1.635 0.008 29 2 . . . . 17 L QB . 11073 1 208 . 1 1 19 19 LEU HD11 H 1 0.546 0.010 51 2 . . . . 17 L MD1 . 11073 1 209 . 1 1 19 19 LEU HD12 H 1 0.546 0.010 51 2 . . . . 17 L MD1 . 11073 1 210 . 1 1 19 19 LEU HD13 H 1 0.546 0.010 51 2 . . . . 17 L MD1 . 11073 1 211 . 1 1 19 19 LEU HD21 H 1 0.367 0.012 58 2 . . . . 17 L MD2 . 11073 1 212 . 1 1 19 19 LEU HD22 H 1 0.367 0.012 58 2 . . . . 17 L MD2 . 11073 1 213 . 1 1 19 19 LEU HD23 H 1 0.367 0.012 58 2 . . . . 17 L MD2 . 11073 1 214 . 1 1 19 19 LEU HG H 1 1.382 0.009 22 1 . . . . 17 L HG . 11073 1 215 . 1 1 19 19 LEU C C 13 180.549 0.005 2 1 . . . . 17 L C . 11073 1 216 . 1 1 19 19 LEU CA C 13 57.739 0.117 28 1 . . . . 17 L CA . 11073 1 217 . 1 1 19 19 LEU CB C 13 42.015 0.098 32 1 . . . . 17 L CB . 11073 1 218 . 1 1 19 19 LEU CD1 C 13 23.536 0.134 42 2 . . . . 17 L CD1 . 11073 1 219 . 1 1 19 19 LEU CD2 C 13 25.449 0.083 51 2 . . . . 17 L CD2 . 11073 1 220 . 1 1 19 19 LEU CG C 13 26.873 0.097 16 1 . . . . 17 L CG . 11073 1 221 . 1 1 19 19 LEU N N 15 121.650 0.048 46 1 . . . . 17 L N . 11073 1 222 . 1 1 20 20 SER H H 1 8.540 0.003 39 1 . . . . 18 S H . 11073 1 223 . 1 1 20 20 SER HA H 1 4.240 0.006 10 1 . . . . 18 S HA . 11073 1 224 . 1 1 20 20 SER HB2 H 1 4.152 0.002 3 2 . . . . 18 S HB2 . 11073 1 225 . 1 1 20 20 SER HB3 H 1 4.072 0.007 12 2 . . . . 18 S HB3 . 11073 1 226 . 1 1 20 20 SER C C 13 176.438 0.039 2 1 . . . . 18 S C . 11073 1 227 . 1 1 20 20 SER CA C 13 62.651 0.085 16 1 . . . . 18 S CA . 11073 1 228 . 1 1 20 20 SER CB C 13 62.583 0.086 21 1 . . . . 18 S CB . 11073 1 229 . 1 1 20 20 SER N N 15 117.750 0.029 35 1 . . . . 18 S N . 11073 1 230 . 1 1 21 21 SER H H 1 7.718 0.004 35 1 . . . . 19 S H . 11073 1 231 . 1 1 21 21 SER HA H 1 4.459 0.007 27 1 . . . . 19 S HA . 11073 1 232 . 1 1 21 21 SER HB2 H 1 4.066 0.010 19 2 . . . . 19 S QB . 11073 1 233 . 1 1 21 21 SER HB3 H 1 4.066 0.010 19 2 . . . . 19 S QB . 11073 1 234 . 1 1 21 21 SER C C 13 176.839 0.005 2 1 . . . . 19 S C . 11073 1 235 . 1 1 21 21 SER CA C 13 61.472 0.077 28 1 . . . . 19 S CA . 11073 1 236 . 1 1 21 21 SER CB C 13 62.615 0.093 26 1 . . . . 19 S CB . 11073 1 237 . 1 1 21 21 SER N N 15 119.419 0.063 30 1 . . . . 19 S N . 11073 1 238 . 1 1 22 22 ALA H H 1 9.205 0.005 35 1 . . . . 20 A H . 11073 1 239 . 1 1 22 22 ALA HA H 1 4.139 0.006 20 1 . . . . 20 A HA . 11073 1 240 . 1 1 22 22 ALA HB1 H 1 1.566 0.010 41 1 . . . . 20 A MB . 11073 1 241 . 1 1 22 22 ALA HB2 H 1 1.566 0.010 41 1 . . . . 20 A MB . 11073 1 242 . 1 1 22 22 ALA HB3 H 1 1.566 0.010 41 1 . . . . 20 A MB . 11073 1 243 . 1 1 22 22 ALA C C 13 180.071 0.023 2 1 . . . . 20 A C . 11073 1 244 . 1 1 22 22 ALA CA C 13 55.110 0.084 29 1 . . . . 20 A CA . 11073 1 245 . 1 1 22 22 ALA CB C 13 18.698 0.092 47 1 . . . . 20 A CB . 11073 1 246 . 1 1 22 22 ALA N N 15 125.661 0.056 30 1 . . . . 20 A N . 11073 1 247 . 1 1 23 23 THR H H 1 8.340 0.006 32 1 . . . . 21 T H . 11073 1 248 . 1 1 23 23 THR HA H 1 4.471 0.009 21 1 . . . . 21 T HA . 11073 1 249 . 1 1 23 23 THR HB H 1 3.816 0.012 21 1 . . . . 21 T HB . 11073 1 250 . 1 1 23 23 THR HG21 H 1 1.239 0.009 34 1 . . . . 21 T MG . 11073 1 251 . 1 1 23 23 THR HG22 H 1 1.239 0.009 34 1 . . . . 21 T MG . 11073 1 252 . 1 1 23 23 THR HG23 H 1 1.239 0.009 34 1 . . . . 21 T MG . 11073 1 253 . 1 1 23 23 THR C C 13 174.657 0.017 2 1 . . . . 21 T C . 11073 1 254 . 1 1 23 23 THR CA C 13 68.306 0.156 23 1 . . . . 21 T CA . 11073 1 255 . 1 1 23 23 THR CB C 13 68.263 0.113 20 1 . . . . 21 T CB . 11073 1 256 . 1 1 23 23 THR CG2 C 13 19.951 0.122 39 1 . . . . 21 T CG2 . 11073 1 257 . 1 1 23 23 THR N N 15 116.981 0.057 28 1 . . . . 21 T N . 11073 1 258 . 1 1 24 24 GLU H H 1 7.843 0.004 33 1 . . . . 22 E H . 11073 1 259 . 1 1 24 24 GLU HA H 1 4.227 0.006 25 1 . . . . 22 E HA . 11073 1 260 . 1 1 24 24 GLU HB2 H 1 2.267 0.012 25 2 . . . . 22 E QB . 11073 1 261 . 1 1 24 24 GLU HB3 H 1 2.267 0.012 25 2 . . . . 22 E QB . 11073 1 262 . 1 1 24 24 GLU HG2 H 1 2.571 0.009 26 2 . . . . 22 E HG2 . 11073 1 263 . 1 1 24 24 GLU HG3 H 1 2.356 0.010 30 2 . . . . 22 E HG3 . 11073 1 264 . 1 1 24 24 GLU C C 13 179.322 0.006 2 1 . . . . 22 E C . 11073 1 265 . 1 1 24 24 GLU CA C 13 59.630 0.100 22 1 . . . . 22 E CA . 11073 1 266 . 1 1 24 24 GLU CB C 13 29.561 0.069 27 1 . . . . 22 E CB . 11073 1 267 . 1 1 24 24 GLU CD C 13 183.349 0.014 2 1 . . . . 22 E CD . 11073 1 268 . 1 1 24 24 GLU CG C 13 35.780 0.075 47 1 . . . . 22 E CG . 11073 1 269 . 1 1 24 24 GLU N N 15 121.352 0.055 31 1 . . . . 22 E N . 11073 1 270 . 1 1 25 25 GLN H H 1 7.871 0.004 28 1 . . . . 23 Q H . 11073 1 271 . 1 1 25 25 GLN HA H 1 4.181 0.010 16 1 . . . . 23 Q HA . 11073 1 272 . 1 1 25 25 GLN HB2 H 1 2.241 0.011 13 2 . . . . 23 Q QB . 11073 1 273 . 1 1 25 25 GLN HB3 H 1 2.241 0.011 13 2 . . . . 23 Q QB . 11073 1 274 . 1 1 25 25 GLN HE21 H 1 7.011 0.003 15 2 . . . . 23 Q HE21 . 11073 1 275 . 1 1 25 25 GLN HE22 H 1 6.649 0.004 21 2 . . . . 23 Q HE22 . 11073 1 276 . 1 1 25 25 GLN HG2 H 1 2.519 0.011 16 2 . . . . 23 Q HG2 . 11073 1 277 . 1 1 25 25 GLN HG3 H 1 2.379 0.011 15 2 . . . . 23 Q HG3 . 11073 1 278 . 1 1 25 25 GLN C C 13 177.291 0.002 2 1 . . . . 23 Q C . 11073 1 279 . 1 1 25 25 GLN CA C 13 58.815 0.101 13 1 . . . . 23 Q CA . 11073 1 280 . 1 1 25 25 GLN CB C 13 28.602 0.111 17 1 . . . . 23 Q CB . 11073 1 281 . 1 1 25 25 GLN CD C 13 179.584 0.019 2 1 . . . . 23 Q CD . 11073 1 282 . 1 1 25 25 GLN CG C 13 33.518 0.100 27 1 . . . . 23 Q CG . 11073 1 283 . 1 1 25 25 GLN N N 15 118.304 0.049 26 1 . . . . 23 Q N . 11073 1 284 . 1 1 25 25 GLN NE2 N 15 110.615 0.031 31 1 . . . . 23 Q NE2 . 11073 1 285 . 1 1 26 26 PHE H H 1 8.749 0.005 36 1 . . . . 24 F H . 11073 1 286 . 1 1 26 26 PHE HA H 1 4.362 0.009 31 1 . . . . 24 F HA . 11073 1 287 . 1 1 26 26 PHE HB2 H 1 3.235 0.013 8 2 . . . . 24 F HB2 . 11073 1 288 . 1 1 26 26 PHE HB3 H 1 2.928 0.014 12 2 . . . . 24 F HB3 . 11073 1 289 . 1 1 26 26 PHE HD1 H 1 6.912 0.012 17 3 . . . . 24 F QD . 11073 1 290 . 1 1 26 26 PHE HD2 H 1 6.912 0.012 17 3 . . . . 24 F QD . 11073 1 291 . 1 1 26 26 PHE HE1 H 1 7.241 0.011 4 3 . . . . 24 F QE . 11073 1 292 . 1 1 26 26 PHE HE2 H 1 7.241 0.011 4 3 . . . . 24 F QE . 11073 1 293 . 1 1 26 26 PHE C C 13 179.971 . 2 1 . . . . 24 F C . 11073 1 294 . 1 1 26 26 PHE CA C 13 61.785 0.091 30 1 . . . . 24 F CA . 11073 1 295 . 1 1 26 26 PHE CB C 13 40.157 0.089 17 1 . . . . 24 F CB . 11073 1 296 . 1 1 26 26 PHE CD1 C 13 131.536 0.206 16 3 . . . . 24 F CD1 . 11073 1 297 . 1 1 26 26 PHE CD2 C 13 131.536 0.206 16 3 . . . . 24 F CD2 . 11073 1 298 . 1 1 26 26 PHE CE1 C 13 131.115 0.120 6 3 . . . . 24 F CE1 . 11073 1 299 . 1 1 26 26 PHE CE2 C 13 131.115 0.120 6 3 . . . . 24 F CE2 . 11073 1 300 . 1 1 26 26 PHE N N 15 121.603 0.073 33 1 . . . . 24 F N . 11073 1 301 . 1 1 27 27 LEU H H 1 9.055 0.007 49 1 . . . . 25 L H . 11073 1 302 . 1 1 27 27 LEU HA H 1 3.908 0.011 21 1 . . . . 25 L HA . 11073 1 303 . 1 1 27 27 LEU HB2 H 1 2.163 0.015 19 2 . . . . 25 L HB2 . 11073 1 304 . 1 1 27 27 LEU HB3 H 1 1.465 0.013 11 2 . . . . 25 L HB3 . 11073 1 305 . 1 1 27 27 LEU HD11 H 1 0.991 0.010 39 2 . . . . 25 L MD1 . 11073 1 306 . 1 1 27 27 LEU HD12 H 1 0.991 0.010 39 2 . . . . 25 L MD1 . 11073 1 307 . 1 1 27 27 LEU HD13 H 1 0.991 0.010 39 2 . . . . 25 L MD1 . 11073 1 308 . 1 1 27 27 LEU HD21 H 1 0.824 0.010 22 2 . . . . 25 L MD2 . 11073 1 309 . 1 1 27 27 LEU HD22 H 1 0.824 0.010 22 2 . . . . 25 L MD2 . 11073 1 310 . 1 1 27 27 LEU HD23 H 1 0.824 0.010 22 2 . . . . 25 L MD2 . 11073 1 311 . 1 1 27 27 LEU HG H 1 2.066 0.009 8 1 . . . . 25 L HG . 11073 1 312 . 1 1 27 27 LEU C C 13 178.401 0.020 2 1 . . . . 25 L C . 11073 1 313 . 1 1 27 27 LEU CA C 13 57.481 0.101 20 1 . . . . 25 L CA . 11073 1 314 . 1 1 27 27 LEU CB C 13 41.485 0.117 27 1 . . . . 25 L CB . 11073 1 315 . 1 1 27 27 LEU CD1 C 13 27.538 0.129 34 2 . . . . 25 L CD1 . 11073 1 316 . 1 1 27 27 LEU CD2 C 13 22.379 0.092 24 2 . . . . 25 L CD2 . 11073 1 317 . 1 1 27 27 LEU CG C 13 27.136 0.138 14 1 . . . . 25 L CG . 11073 1 318 . 1 1 27 27 LEU N N 15 120.861 0.031 44 1 . . . . 25 L N . 11073 1 319 . 1 1 28 28 GLU H H 1 7.947 0.005 42 1 . . . . 26 E H . 11073 1 320 . 1 1 28 28 GLU HA H 1 4.048 0.007 23 1 . . . . 26 E HA . 11073 1 321 . 1 1 28 28 GLU HB2 H 1 2.241 0.010 11 2 . . . . 26 E QB . 11073 1 322 . 1 1 28 28 GLU HB3 H 1 2.241 0.010 11 2 . . . . 26 E QB . 11073 1 323 . 1 1 28 28 GLU HG2 H 1 2.247 0.033 12 2 . . . . 26 E HG2 . 11073 1 324 . 1 1 28 28 GLU HG3 H 1 2.337 0.030 13 2 . . . . 26 E HG3 . 11073 1 325 . 1 1 28 28 GLU C C 13 179.861 0.007 2 1 . . . . 26 E C . 11073 1 326 . 1 1 28 28 GLU CA C 13 59.817 0.078 27 1 . . . . 26 E CA . 11073 1 327 . 1 1 28 28 GLU CB C 13 28.824 0.106 10 1 . . . . 26 E CB . 11073 1 328 . 1 1 28 28 GLU CD C 13 182.932 0.003 2 1 . . . . 26 E CD . 11073 1 329 . 1 1 28 28 GLU CG C 13 35.460 0.125 22 1 . . . . 26 E CG . 11073 1 330 . 1 1 28 28 GLU N N 15 120.079 0.053 38 1 . . . . 26 E N . 11073 1 331 . 1 1 29 29 LYS H H 1 8.139 0.004 37 1 . . . . 27 K H . 11073 1 332 . 1 1 29 29 LYS HA H 1 4.137 0.011 27 1 . . . . 27 K HA . 11073 1 333 . 1 1 29 29 LYS HB2 H 1 1.905 0.013 13 2 . . . . 27 K QB . 11073 1 334 . 1 1 29 29 LYS HB3 H 1 1.905 0.013 13 2 . . . . 27 K QB . 11073 1 335 . 1 1 29 29 LYS HD2 H 1 1.711 0.010 27 2 . . . . 27 K QD . 11073 1 336 . 1 1 29 29 LYS HD3 H 1 1.711 0.010 27 2 . . . . 27 K QD . 11073 1 337 . 1 1 29 29 LYS HE2 H 1 3.006 0.002 7 2 . . . . 27 K HE2 . 11073 1 338 . 1 1 29 29 LYS HE3 H 1 2.940 0.009 18 2 . . . . 27 K HE3 . 11073 1 339 . 1 1 29 29 LYS HG2 H 1 1.721 0.008 20 2 . . . . 27 K HG2 . 11073 1 340 . 1 1 29 29 LYS HG3 H 1 1.584 0.014 12 2 . . . . 27 K HG3 . 11073 1 341 . 1 1 29 29 LYS C C 13 178.830 0.007 2 1 . . . . 27 K C . 11073 1 342 . 1 1 29 29 LYS CA C 13 58.306 0.085 26 1 . . . . 27 K CA . 11073 1 343 . 1 1 29 29 LYS CB C 13 33.123 0.072 19 1 . . . . 27 K CB . 11073 1 344 . 1 1 29 29 LYS CD C 13 28.907 0.138 23 1 . . . . 27 K CD . 11073 1 345 . 1 1 29 29 LYS CE C 13 41.885 0.107 41 1 . . . . 27 K CE . 11073 1 346 . 1 1 29 29 LYS CG C 13 25.609 0.107 30 1 . . . . 27 K CG . 11073 1 347 . 1 1 29 29 LYS N N 15 117.019 0.036 32 1 . . . . 27 K N . 11073 1 348 . 1 1 30 30 THR H H 1 7.795 0.007 47 1 . . . . 28 T H . 11073 1 349 . 1 1 30 30 THR HA H 1 3.960 0.009 23 1 . . . . 28 T HA . 11073 1 350 . 1 1 30 30 THR HB H 1 4.010 0.013 14 1 . . . . 28 T HB . 11073 1 351 . 1 1 30 30 THR HG21 H 1 0.467 0.006 31 1 . . . . 28 T MG . 11073 1 352 . 1 1 30 30 THR HG22 H 1 0.467 0.006 31 1 . . . . 28 T MG . 11073 1 353 . 1 1 30 30 THR HG23 H 1 0.467 0.006 31 1 . . . . 28 T MG . 11073 1 354 . 1 1 30 30 THR C C 13 176.980 . 2 1 . . . . 28 T C . 11073 1 355 . 1 1 30 30 THR CA C 13 62.565 0.109 21 1 . . . . 28 T CA . 11073 1 356 . 1 1 30 30 THR CB C 13 70.281 0.075 17 1 . . . . 28 T CB . 11073 1 357 . 1 1 30 30 THR CG2 C 13 21.359 0.094 26 1 . . . . 28 T CG2 . 11073 1 358 . 1 1 30 30 THR N N 15 106.006 0.043 43 1 . . . . 28 T N . 11073 1 359 . 1 1 31 31 SER H H 1 7.482 0.003 46 1 . . . . 29 S H . 11073 1 360 . 1 1 31 31 SER HA H 1 3.968 0.006 17 1 . . . . 29 S HA . 11073 1 361 . 1 1 31 31 SER HB2 H 1 4.394 0.010 11 2 . . . . 29 S QB . 11073 1 362 . 1 1 31 31 SER HB3 H 1 4.394 0.010 11 2 . . . . 29 S QB . 11073 1 363 . 1 1 31 31 SER C C 13 175.510 0.024 2 1 . . . . 29 S C . 11073 1 364 . 1 1 31 31 SER CA C 13 63.080 0.083 12 1 . . . . 29 S CA . 11073 1 365 . 1 1 31 31 SER CB C 13 62.524 0.104 18 1 . . . . 29 S CB . 11073 1 366 . 1 1 31 31 SER N N 15 117.421 0.035 43 1 . . . . 29 S N . 11073 1 367 . 1 1 32 32 LYS H H 1 7.938 0.004 33 1 . . . . 30 K H . 11073 1 368 . 1 1 32 32 LYS HA H 1 4.629 0.007 15 1 . . . . 30 K HA . 11073 1 369 . 1 1 32 32 LYS HB2 H 1 2.136 0.009 22 2 . . . . 30 K HB2 . 11073 1 370 . 1 1 32 32 LYS HB3 H 1 1.813 0.013 3 2 . . . . 30 K HB3 . 11073 1 371 . 1 1 32 32 LYS HD2 H 1 1.756 0.012 6 2 . . . . 30 K QD . 11073 1 372 . 1 1 32 32 LYS HD3 H 1 1.756 0.012 6 2 . . . . 30 K QD . 11073 1 373 . 1 1 32 32 LYS HE2 H 1 3.083 0.006 12 2 . . . . 30 K QE . 11073 1 374 . 1 1 32 32 LYS HE3 H 1 3.083 0.006 12 2 . . . . 30 K QE . 11073 1 375 . 1 1 32 32 LYS HG2 H 1 1.569 0.011 11 2 . . . . 30 K QG . 11073 1 376 . 1 1 32 32 LYS HG3 H 1 1.569 0.011 11 2 . . . . 30 K QG . 11073 1 377 . 1 1 32 32 LYS C C 13 177.233 0.019 2 1 . . . . 30 K C . 11073 1 378 . 1 1 32 32 LYS CA C 13 55.344 0.080 19 1 . . . . 30 K CA . 11073 1 379 . 1 1 32 32 LYS CB C 13 31.762 0.090 21 1 . . . . 30 K CB . 11073 1 380 . 1 1 32 32 LYS CD C 13 28.430 0.100 8 1 . . . . 30 K CD . 11073 1 381 . 1 1 32 32 LYS CE C 13 41.948 0.094 11 1 . . . . 30 K CE . 11073 1 382 . 1 1 32 32 LYS CG C 13 24.768 0.069 13 1 . . . . 30 K CG . 11073 1 383 . 1 1 32 32 LYS N N 15 118.196 0.031 29 1 . . . . 30 K N . 11073 1 384 . 1 1 33 33 GLY H H 1 7.980 0.005 36 1 . . . . 31 G H . 11073 1 385 . 1 1 33 33 GLY HA2 H 1 4.224 0.009 22 2 . . . . 31 G HA2 . 11073 1 386 . 1 1 33 33 GLY HA3 H 1 3.315 0.009 21 2 . . . . 31 G HA3 . 11073 1 387 . 1 1 33 33 GLY C C 13 172.467 0.001 3 1 . . . . 31 G C . 11073 1 388 . 1 1 33 33 GLY CA C 13 43.615 0.102 32 1 . . . . 31 G CA . 11073 1 389 . 1 1 33 33 GLY N N 15 109.414 0.020 34 1 . . . . 31 G N . 11073 1 390 . 1 1 34 34 ILE H H 1 8.330 0.007 34 1 . . . . 32 I H . 11073 1 391 . 1 1 34 34 ILE HA H 1 4.441 0.010 24 1 . . . . 32 I HA . 11073 1 392 . 1 1 34 34 ILE HB H 1 1.941 0.007 15 1 . . . . 32 I HB . 11073 1 393 . 1 1 34 34 ILE HD11 H 1 0.818 0.009 26 1 . . . . 32 I MD . 11073 1 394 . 1 1 34 34 ILE HD12 H 1 0.818 0.009 26 1 . . . . 32 I MD . 11073 1 395 . 1 1 34 34 ILE HD13 H 1 0.818 0.009 26 1 . . . . 32 I MD . 11073 1 396 . 1 1 34 34 ILE HG12 H 1 1.119 0.010 7 2 . . . . 32 I QG . 11073 1 397 . 1 1 34 34 ILE HG13 H 1 1.119 0.010 7 2 . . . . 32 I QG . 11073 1 398 . 1 1 34 34 ILE HG21 H 1 0.688 0.008 36 1 . . . . 32 I MG . 11073 1 399 . 1 1 34 34 ILE HG22 H 1 0.688 0.008 36 1 . . . . 32 I MG . 11073 1 400 . 1 1 34 34 ILE HG23 H 1 0.688 0.008 36 1 . . . . 32 I MG . 11073 1 401 . 1 1 34 34 ILE C C 13 174.389 . 1 1 . . . . 32 I C . 11073 1 402 . 1 1 34 34 ILE CA C 13 59.883 0.123 24 1 . . . . 32 I CA . 11073 1 403 . 1 1 34 34 ILE CB C 13 40.033 0.072 11 1 . . . . 32 I CB . 11073 1 404 . 1 1 34 34 ILE CD1 C 13 14.423 0.090 28 1 . . . . 32 I CD1 . 11073 1 405 . 1 1 34 34 ILE CG1 C 13 26.880 0.128 16 1 . . . . 32 I CG1 . 11073 1 406 . 1 1 34 34 ILE CG2 C 13 18.520 0.089 36 1 . . . . 32 I CG2 . 11073 1 407 . 1 1 34 34 ILE N N 15 116.729 0.064 32 1 . . . . 32 I N . 11073 1 408 . 1 1 35 35 PRO HA H 1 4.435 0.009 26 1 . . . . 33 P HA . 11073 1 409 . 1 1 35 35 PRO HB2 H 1 2.044 0.008 8 2 . . . . 33 P HB2 . 11073 1 410 . 1 1 35 35 PRO HB3 H 1 2.496 0.008 18 2 . . . . 33 P HB3 . 11073 1 411 . 1 1 35 35 PRO HD2 H 1 3.928 0.008 10 2 . . . . 33 P HD2 . 11073 1 412 . 1 1 35 35 PRO HD3 H 1 3.630 0.009 20 2 . . . . 33 P HD3 . 11073 1 413 . 1 1 35 35 PRO HG2 H 1 2.165 0.007 4 2 . . . . 33 P HG2 . 11073 1 414 . 1 1 35 35 PRO HG3 H 1 2.127 0.008 4 2 . . . . 33 P HG3 . 11073 1 415 . 1 1 35 35 PRO C C 13 179.597 0.019 2 1 . . . . 33 P C . 11073 1 416 . 1 1 35 35 PRO CA C 13 65.969 0.081 26 1 . . . . 33 P CA . 11073 1 417 . 1 1 35 35 PRO CB C 13 31.975 0.091 19 1 . . . . 33 P CB . 11073 1 418 . 1 1 35 35 PRO CD C 13 50.771 0.099 22 1 . . . . 33 P CD . 11073 1 419 . 1 1 35 35 PRO CG C 13 27.045 0.083 15 1 . . . . 33 P CG . 11073 1 420 . 1 1 36 36 GLN H H 1 9.341 0.004 32 1 . . . . 34 Q H . 11073 1 421 . 1 1 36 36 GLN HA H 1 4.161 0.011 21 1 . . . . 34 Q HA . 11073 1 422 . 1 1 36 36 GLN HB2 H 1 1.902 0.010 18 2 . . . . 34 Q HB2 . 11073 1 423 . 1 1 36 36 GLN HB3 H 1 1.710 0.009 19 2 . . . . 34 Q HB3 . 11073 1 424 . 1 1 36 36 GLN HE21 H 1 7.204 0.001 14 2 . . . . 34 Q HE21 . 11073 1 425 . 1 1 36 36 GLN HE22 H 1 6.762 0.002 13 2 . . . . 34 Q HE22 . 11073 1 426 . 1 1 36 36 GLN HG2 H 1 1.999 0.008 18 2 . . . . 34 Q HG2 . 11073 1 427 . 1 1 36 36 GLN HG3 H 1 1.775 0.007 24 2 . . . . 34 Q HG3 . 11073 1 428 . 1 1 36 36 GLN C C 13 175.997 0.016 2 1 . . . . 34 Q C . 11073 1 429 . 1 1 36 36 GLN CA C 13 58.321 0.093 20 1 . . . . 34 Q CA . 11073 1 430 . 1 1 36 36 GLN CB C 13 27.022 0.092 32 1 . . . . 34 Q CB . 11073 1 431 . 1 1 36 36 GLN CD C 13 180.217 0.001 2 1 . . . . 34 Q CD . 11073 1 432 . 1 1 36 36 GLN CG C 13 32.582 0.099 33 1 . . . . 34 Q CG . 11073 1 433 . 1 1 36 36 GLN N N 15 117.664 0.042 30 1 . . . . 34 Q N . 11073 1 434 . 1 1 36 36 GLN NE2 N 15 111.574 0.044 23 1 . . . . 34 Q NE2 . 11073 1 435 . 1 1 37 37 TYR H H 1 7.298 0.004 38 1 . . . . 35 Y H . 11073 1 436 . 1 1 37 37 TYR HA H 1 5.086 0.005 31 1 . . . . 35 Y HA . 11073 1 437 . 1 1 37 37 TYR HB2 H 1 3.465 0.010 28 2 . . . . 35 Y HB2 . 11073 1 438 . 1 1 37 37 TYR HB3 H 1 2.527 0.015 21 2 . . . . 35 Y HB3 . 11073 1 439 . 1 1 37 37 TYR HD1 H 1 6.931 0.008 33 3 . . . . 35 Y QD . 11073 1 440 . 1 1 37 37 TYR HD2 H 1 6.931 0.008 33 3 . . . . 35 Y QD . 11073 1 441 . 1 1 37 37 TYR HE1 H 1 6.817 0.003 34 3 . . . . 35 Y QE . 11073 1 442 . 1 1 37 37 TYR HE2 H 1 6.817 0.003 34 3 . . . . 35 Y QE . 11073 1 443 . 1 1 37 37 TYR C C 13 174.995 0.016 2 1 . . . . 35 Y C . 11073 1 444 . 1 1 37 37 TYR CA C 13 53.520 0.094 30 1 . . . . 35 Y CA . 11073 1 445 . 1 1 37 37 TYR CB C 13 39.374 0.131 35 1 . . . . 35 Y CB . 11073 1 446 . 1 1 37 37 TYR CD1 C 13 131.159 0.072 33 3 . . . . 35 Y CD1 . 11073 1 447 . 1 1 37 37 TYR CD2 C 13 131.159 0.072 33 3 . . . . 35 Y CD2 . 11073 1 448 . 1 1 37 37 TYR CE1 C 13 117.915 0.080 32 3 . . . . 35 Y CE1 . 11073 1 449 . 1 1 37 37 TYR CE2 C 13 117.915 0.080 32 3 . . . . 35 Y CE2 . 11073 1 450 . 1 1 37 37 TYR N N 15 116.821 0.049 35 1 . . . . 35 Y N . 11073 1 451 . 1 1 38 38 ASP H H 1 8.286 0.006 27 1 . . . . 36 D H . 11073 1 452 . 1 1 38 38 ASP HA H 1 4.468 0.008 13 1 . . . . 36 D HA . 11073 1 453 . 1 1 38 38 ASP HB2 H 1 2.510 0.005 11 2 . . . . 36 D HB2 . 11073 1 454 . 1 1 38 38 ASP HB3 H 1 3.303 0.008 17 2 . . . . 36 D HB3 . 11073 1 455 . 1 1 38 38 ASP C C 13 173.461 0.019 2 1 . . . . 36 D C . 11073 1 456 . 1 1 38 38 ASP CA C 13 55.436 0.042 13 1 . . . . 36 D CA . 11073 1 457 . 1 1 38 38 ASP CB C 13 40.402 0.100 17 1 . . . . 36 D CB . 11073 1 458 . 1 1 38 38 ASP CG C 13 181.689 0.013 2 1 . . . . 36 D CG . 11073 1 459 . 1 1 38 38 ASP N N 15 117.985 0.063 25 1 . . . . 36 D N . 11073 1 460 . 1 1 39 39 ILE H H 1 7.325 0.004 39 1 . . . . 37 I H . 11073 1 461 . 1 1 39 39 ILE HA H 1 4.211 0.009 25 1 . . . . 37 I HA . 11073 1 462 . 1 1 39 39 ILE HB H 1 1.800 0.009 7 1 . . . . 37 I HB . 11073 1 463 . 1 1 39 39 ILE HD11 H 1 0.873 0.014 25 1 . . . . 37 I MD . 11073 1 464 . 1 1 39 39 ILE HD12 H 1 0.873 0.014 25 1 . . . . 37 I MD . 11073 1 465 . 1 1 39 39 ILE HD13 H 1 0.873 0.014 25 1 . . . . 37 I MD . 11073 1 466 . 1 1 39 39 ILE HG12 H 1 0.964 0.009 7 2 . . . . 37 I HG12 . 11073 1 467 . 1 1 39 39 ILE HG13 H 1 1.703 0.011 20 2 . . . . 37 I HG13 . 11073 1 468 . 1 1 39 39 ILE HG21 H 1 0.812 0.008 33 1 . . . . 37 I MG . 11073 1 469 . 1 1 39 39 ILE HG22 H 1 0.812 0.008 33 1 . . . . 37 I MG . 11073 1 470 . 1 1 39 39 ILE HG23 H 1 0.812 0.008 33 1 . . . . 37 I MG . 11073 1 471 . 1 1 39 39 ILE C C 13 177.159 . 1 1 . . . . 37 I C . 11073 1 472 . 1 1 39 39 ILE CA C 13 60.101 0.116 24 1 . . . . 37 I CA . 11073 1 473 . 1 1 39 39 ILE CB C 13 37.698 0.083 8 1 . . . . 37 I CB . 11073 1 474 . 1 1 39 39 ILE CD1 C 13 13.603 0.119 39 1 . . . . 37 I CD1 . 11073 1 475 . 1 1 39 39 ILE CG1 C 13 28.800 0.135 23 1 . . . . 37 I CG1 . 11073 1 476 . 1 1 39 39 ILE CG2 C 13 17.451 0.121 40 1 . . . . 37 I CG2 . 11073 1 477 . 1 1 39 39 ILE N N 15 117.608 0.061 37 1 . . . . 37 I N . 11073 1 478 . 1 1 40 40 TRP H H 1 10.148 0.004 31 1 . . . . 38 W H . 11073 1 479 . 1 1 40 40 TRP HA H 1 5.168 0.006 19 1 . . . . 38 W HA . 11073 1 480 . 1 1 40 40 TRP HB2 H 1 3.050 0.013 12 2 . . . . 38 W HB2 . 11073 1 481 . 1 1 40 40 TRP HB3 H 1 3.323 0.012 13 2 . . . . 38 W HB3 . 11073 1 482 . 1 1 40 40 TRP HD1 H 1 6.706 0.007 11 1 . . . . 38 W HD1 . 11073 1 483 . 1 1 40 40 TRP HE1 H 1 9.844 0.003 31 1 . . . . 38 W HE1 . 11073 1 484 . 1 1 40 40 TRP HE3 H 1 7.431 0.008 14 1 . . . . 38 W HE3 . 11073 1 485 . 1 1 40 40 TRP HH2 H 1 7.014 0.005 13 1 . . . . 38 W HH2 . 11073 1 486 . 1 1 40 40 TRP HZ2 H 1 7.105 0.002 12 1 . . . . 38 W HZ2 . 11073 1 487 . 1 1 40 40 TRP HZ3 H 1 6.894 0.007 15 1 . . . . 38 W HZ3 . 11073 1 488 . 1 1 40 40 TRP C C 13 173.559 . 1 1 . . . . 38 W C . 11073 1 489 . 1 1 40 40 TRP CA C 13 52.992 0.101 20 1 . . . . 38 W CA . 11073 1 490 . 1 1 40 40 TRP CB C 13 28.504 0.077 24 1 . . . . 38 W CB . 11073 1 491 . 1 1 40 40 TRP CD1 C 13 124.107 0.077 10 1 . . . . 38 W CD1 . 11073 1 492 . 1 1 40 40 TRP CE3 C 13 120.143 0.086 11 1 . . . . 38 W CE3 . 11073 1 493 . 1 1 40 40 TRP CH2 C 13 124.349 0.035 12 1 . . . . 38 W CH2 . 11073 1 494 . 1 1 40 40 TRP CZ2 C 13 113.529 0.047 9 1 . . . . 38 W CZ2 . 11073 1 495 . 1 1 40 40 TRP CZ3 C 13 121.095 0.107 9 1 . . . . 38 W CZ3 . 11073 1 496 . 1 1 40 40 TRP N N 15 138.107 0.043 29 1 . . . . 38 W N . 11073 1 497 . 1 1 40 40 TRP NE1 N 15 128.618 0.042 30 1 . . . . 38 W NE1 . 11073 1 498 . 1 1 41 41 PRO HA H 1 4.226 0.007 16 1 . . . . 39 P HA . 11073 1 499 . 1 1 41 41 PRO HB2 H 1 2.212 0.010 10 2 . . . . 39 P HB2 . 11073 1 500 . 1 1 41 41 PRO HB3 H 1 1.925 0.011 10 2 . . . . 39 P HB3 . 11073 1 501 . 1 1 41 41 PRO HD2 H 1 4.013 0.009 12 2 . . . . 39 P HD2 . 11073 1 502 . 1 1 41 41 PRO HD3 H 1 3.712 0.006 5 2 . . . . 39 P HD3 . 11073 1 503 . 1 1 41 41 PRO HG2 H 1 2.021 0.014 11 2 . . . . 39 P QG . 11073 1 504 . 1 1 41 41 PRO HG3 H 1 2.021 0.014 11 2 . . . . 39 P QG . 11073 1 505 . 1 1 41 41 PRO C C 13 177.012 0.006 2 1 . . . . 39 P C . 11073 1 506 . 1 1 41 41 PRO CA C 13 63.575 0.099 15 1 . . . . 39 P CA . 11073 1 507 . 1 1 41 41 PRO CB C 13 31.613 0.108 18 1 . . . . 39 P CB . 11073 1 508 . 1 1 41 41 PRO CD C 13 50.019 0.116 17 1 . . . . 39 P CD . 11073 1 509 . 1 1 41 41 PRO CG C 13 27.425 0.085 12 1 . . . . 39 P CG . 11073 1 510 . 1 1 42 42 ILE H H 1 7.537 0.005 23 1 . . . . 40 I H . 11073 1 511 . 1 1 42 42 ILE HA H 1 4.708 0.006 31 1 . . . . 40 I HA . 11073 1 512 . 1 1 42 42 ILE HB H 1 1.956 0.008 22 1 . . . . 40 I HB . 11073 1 513 . 1 1 42 42 ILE HD11 H 1 0.732 0.007 41 1 . . . . 40 I MD . 11073 1 514 . 1 1 42 42 ILE HD12 H 1 0.732 0.007 41 1 . . . . 40 I MD . 11073 1 515 . 1 1 42 42 ILE HD13 H 1 0.732 0.007 41 1 . . . . 40 I MD . 11073 1 516 . 1 1 42 42 ILE HG12 H 1 1.214 0.009 23 2 . . . . 40 I QG . 11073 1 517 . 1 1 42 42 ILE HG13 H 1 1.214 0.009 23 2 . . . . 40 I QG . 11073 1 518 . 1 1 42 42 ILE HG21 H 1 0.798 0.008 31 1 . . . . 40 I MG . 11073 1 519 . 1 1 42 42 ILE HG22 H 1 0.798 0.008 31 1 . . . . 40 I MG . 11073 1 520 . 1 1 42 42 ILE HG23 H 1 0.798 0.008 31 1 . . . . 40 I MG . 11073 1 521 . 1 1 42 42 ILE C C 13 174.977 0.017 2 1 . . . . 40 I C . 11073 1 522 . 1 1 42 42 ILE CA C 13 59.252 0.107 31 1 . . . . 40 I CA . 11073 1 523 . 1 1 42 42 ILE CB C 13 41.547 0.081 25 1 . . . . 40 I CB . 11073 1 524 . 1 1 42 42 ILE CD1 C 13 15.180 0.076 50 1 . . . . 40 I CD1 . 11073 1 525 . 1 1 42 42 ILE CG1 C 13 27.331 0.091 26 1 . . . . 40 I CG1 . 11073 1 526 . 1 1 42 42 ILE CG2 C 13 19.307 0.107 26 1 . . . . 40 I CG2 . 11073 1 527 . 1 1 42 42 ILE N N 15 112.936 0.048 21 1 . . . . 40 I N . 11073 1 528 . 1 1 43 43 ASP H H 1 7.750 0.005 42 1 . . . . 41 D H . 11073 1 529 . 1 1 43 43 ASP HA H 1 4.864 0.009 12 1 . . . . 41 D HA . 11073 1 530 . 1 1 43 43 ASP HB2 H 1 2.937 0.008 12 2 . . . . 41 D HB2 . 11073 1 531 . 1 1 43 43 ASP HB3 H 1 2.369 0.009 19 2 . . . . 41 D HB3 . 11073 1 532 . 1 1 43 43 ASP CA C 13 52.662 0.078 16 1 . . . . 41 D CA . 11073 1 533 . 1 1 43 43 ASP CB C 13 42.559 0.110 26 1 . . . . 41 D CB . 11073 1 534 . 1 1 43 43 ASP CG C 13 180.321 0.022 2 1 . . . . 41 D CG . 11073 1 535 . 1 1 43 43 ASP N N 15 119.348 0.046 40 1 . . . . 41 D N . 11073 1 536 . 1 1 44 44 PRO HA H 1 4.930 0.010 29 1 . . . . 42 P HA . 11073 1 537 . 1 1 44 44 PRO HB2 H 1 2.267 0.009 22 2 . . . . 42 P HB2 . 11073 1 538 . 1 1 44 44 PRO HB3 H 1 1.815 0.010 25 2 . . . . 42 P HB3 . 11073 1 539 . 1 1 44 44 PRO HD2 H 1 3.645 0.003 10 2 . . . . 42 P HD2 . 11073 1 540 . 1 1 44 44 PRO HD3 H 1 3.595 0.005 14 2 . . . . 42 P HD3 . 11073 1 541 . 1 1 44 44 PRO HG2 H 1 2.017 0.007 28 2 . . . . 42 P HG2 . 11073 1 542 . 1 1 44 44 PRO HG3 H 1 1.871 0.009 25 2 . . . . 42 P HG3 . 11073 1 543 . 1 1 44 44 PRO C C 13 174.752 0.029 2 1 . . . . 42 P C . 11073 1 544 . 1 1 44 44 PRO CA C 13 63.283 0.068 28 1 . . . . 42 P CA . 11073 1 545 . 1 1 44 44 PRO CB C 13 34.170 0.073 39 1 . . . . 42 P CB . 11073 1 546 . 1 1 44 44 PRO CD C 13 50.341 0.055 21 1 . . . . 42 P CD . 11073 1 547 . 1 1 44 44 PRO CG C 13 25.513 0.082 53 1 . . . . 42 P CG . 11073 1 548 . 1 1 45 45 LEU H H 1 8.833 0.004 41 1 . . . . 43 L H . 11073 1 549 . 1 1 45 45 LEU HA H 1 4.471 0.010 21 1 . . . . 43 L HA . 11073 1 550 . 1 1 45 45 LEU HB2 H 1 1.637 0.011 10 2 . . . . 43 L QB . 11073 1 551 . 1 1 45 45 LEU HB3 H 1 1.637 0.011 10 2 . . . . 43 L QB . 11073 1 552 . 1 1 45 45 LEU HD11 H 1 1.095 0.007 48 2 . . . . 43 L MD1 . 11073 1 553 . 1 1 45 45 LEU HD12 H 1 1.095 0.007 48 2 . . . . 43 L MD1 . 11073 1 554 . 1 1 45 45 LEU HD13 H 1 1.095 0.007 48 2 . . . . 43 L MD1 . 11073 1 555 . 1 1 45 45 LEU HD21 H 1 0.891 0.008 53 2 . . . . 43 L MD2 . 11073 1 556 . 1 1 45 45 LEU HD22 H 1 0.891 0.008 53 2 . . . . 43 L MD2 . 11073 1 557 . 1 1 45 45 LEU HD23 H 1 0.891 0.008 53 2 . . . . 43 L MD2 . 11073 1 558 . 1 1 45 45 LEU HG H 1 1.500 0.012 18 1 . . . . 43 L HG . 11073 1 559 . 1 1 45 45 LEU C C 13 174.882 0.005 2 1 . . . . 43 L C . 11073 1 560 . 1 1 45 45 LEU CA C 13 53.906 0.129 21 1 . . . . 43 L CA . 11073 1 561 . 1 1 45 45 LEU CB C 13 43.786 0.097 17 1 . . . . 43 L CB . 11073 1 562 . 1 1 45 45 LEU CD1 C 13 25.344 0.091 45 2 . . . . 43 L CD1 . 11073 1 563 . 1 1 45 45 LEU CD2 C 13 27.526 0.097 50 2 . . . . 43 L CD2 . 11073 1 564 . 1 1 45 45 LEU CG C 13 27.653 0.126 20 1 . . . . 43 L CG . 11073 1 565 . 1 1 45 45 LEU N N 15 125.479 0.050 39 1 . . . . 43 L N . 11073 1 566 . 1 1 46 46 VAL H H 1 8.260 0.004 35 1 . . . . 44 V H . 11073 1 567 . 1 1 46 46 VAL HA H 1 5.176 0.007 29 1 . . . . 44 V HA . 11073 1 568 . 1 1 46 46 VAL HB H 1 1.792 0.005 14 1 . . . . 44 V HB . 11073 1 569 . 1 1 46 46 VAL HG11 H 1 0.703 0.010 42 2 . . . . 44 V MG1 . 11073 1 570 . 1 1 46 46 VAL HG12 H 1 0.703 0.010 42 2 . . . . 44 V MG1 . 11073 1 571 . 1 1 46 46 VAL HG13 H 1 0.703 0.010 42 2 . . . . 44 V MG1 . 11073 1 572 . 1 1 46 46 VAL HG21 H 1 0.829 0.007 34 2 . . . . 44 V MG2 . 11073 1 573 . 1 1 46 46 VAL HG22 H 1 0.829 0.007 34 2 . . . . 44 V MG2 . 11073 1 574 . 1 1 46 46 VAL HG23 H 1 0.829 0.007 34 2 . . . . 44 V MG2 . 11073 1 575 . 1 1 46 46 VAL C C 13 176.328 0.011 2 1 . . . . 44 V C . 11073 1 576 . 1 1 46 46 VAL CA C 13 60.254 0.078 30 1 . . . . 44 V CA . 11073 1 577 . 1 1 46 46 VAL CB C 13 33.184 0.030 11 1 . . . . 44 V CB . 11073 1 578 . 1 1 46 46 VAL CG1 C 13 20.338 0.083 26 2 . . . . 44 V CG1 . 11073 1 579 . 1 1 46 46 VAL CG2 C 13 20.717 0.062 23 2 . . . . 44 V CG2 . 11073 1 580 . 1 1 46 46 VAL N N 15 126.117 0.038 33 1 . . . . 44 V N . 11073 1 581 . 1 1 47 47 VAL H H 1 8.765 0.006 34 1 . . . . 45 V H . 11073 1 582 . 1 1 47 47 VAL HA H 1 4.226 0.007 21 1 . . . . 45 V HA . 11073 1 583 . 1 1 47 47 VAL HB H 1 1.847 0.011 19 1 . . . . 45 V HB . 11073 1 584 . 1 1 47 47 VAL HG11 H 1 0.791 0.009 28 2 . . . . 45 V MG1 . 11073 1 585 . 1 1 47 47 VAL HG12 H 1 0.791 0.009 28 2 . . . . 45 V MG1 . 11073 1 586 . 1 1 47 47 VAL HG13 H 1 0.791 0.009 28 2 . . . . 45 V MG1 . 11073 1 587 . 1 1 47 47 VAL HG21 H 1 0.717 0.012 45 2 . . . . 45 V MG2 . 11073 1 588 . 1 1 47 47 VAL HG22 H 1 0.717 0.012 45 2 . . . . 45 V MG2 . 11073 1 589 . 1 1 47 47 VAL HG23 H 1 0.717 0.012 45 2 . . . . 45 V MG2 . 11073 1 590 . 1 1 47 47 VAL C C 13 175.737 0.014 2 1 . . . . 45 V C . 11073 1 591 . 1 1 47 47 VAL CA C 13 60.629 0.102 22 1 . . . . 45 V CA . 11073 1 592 . 1 1 47 47 VAL CB C 13 33.468 0.132 17 1 . . . . 45 V CB . 11073 1 593 . 1 1 47 47 VAL CG1 C 13 21.143 0.098 34 2 . . . . 45 V CG1 . 11073 1 594 . 1 1 47 47 VAL CG2 C 13 20.390 0.098 45 2 . . . . 45 V CG2 . 11073 1 595 . 1 1 47 47 VAL N N 15 129.541 0.025 30 1 . . . . 45 V N . 11073 1 596 . 1 1 48 48 THR H H 1 8.721 0.002 30 1 . . . . 46 T H . 11073 1 597 . 1 1 48 48 THR HA H 1 3.811 0.004 30 1 . . . . 46 T HA . 11073 1 598 . 1 1 48 48 THR HB H 1 4.134 0.006 23 1 . . . . 46 T HB . 11073 1 599 . 1 1 48 48 THR HG21 H 1 1.258 0.006 26 1 . . . . 46 T MG . 11073 1 600 . 1 1 48 48 THR HG22 H 1 1.258 0.006 26 1 . . . . 46 T MG . 11073 1 601 . 1 1 48 48 THR HG23 H 1 1.258 0.006 26 1 . . . . 46 T MG . 11073 1 602 . 1 1 48 48 THR C C 13 175.728 0.001 2 1 . . . . 46 T C . 11073 1 603 . 1 1 48 48 THR CA C 13 66.904 0.080 33 1 . . . . 46 T CA . 11073 1 604 . 1 1 48 48 THR CB C 13 68.249 0.101 24 1 . . . . 46 T CB . 11073 1 605 . 1 1 48 48 THR CG2 C 13 22.143 0.091 23 1 . . . . 46 T CG2 . 11073 1 606 . 1 1 48 48 THR N N 15 122.232 0.021 28 1 . . . . 46 T N . 11073 1 607 . 1 1 49 49 SER H H 1 7.426 0.003 36 1 . . . . 47 S H . 11073 1 608 . 1 1 49 49 SER HA H 1 5.103 0.007 33 1 . . . . 47 S HA . 11073 1 609 . 1 1 49 49 SER HB2 H 1 3.721 0.005 28 2 . . . . 47 S HB2 . 11073 1 610 . 1 1 49 49 SER HB3 H 1 3.854 0.005 21 2 . . . . 47 S HB3 . 11073 1 611 . 1 1 49 49 SER C C 13 171.935 0.031 2 1 . . . . 47 S C . 11073 1 612 . 1 1 49 49 SER CA C 13 57.328 0.076 32 1 . . . . 47 S CA . 11073 1 613 . 1 1 49 49 SER CB C 13 64.646 0.082 44 1 . . . . 47 S CB . 11073 1 614 . 1 1 49 49 SER N N 15 113.419 0.044 33 1 . . . . 47 S N . 11073 1 615 . 1 1 50 50 LEU H H 1 8.215 0.004 46 1 . . . . 48 L H . 11073 1 616 . 1 1 50 50 LEU HA H 1 4.446 0.006 23 1 . . . . 48 L HA . 11073 1 617 . 1 1 50 50 LEU HB2 H 1 1.552 0.013 15 2 . . . . 48 L HB2 . 11073 1 618 . 1 1 50 50 LEU HB3 H 1 1.442 0.012 14 2 . . . . 48 L HB3 . 11073 1 619 . 1 1 50 50 LEU HD11 H 1 0.881 0.009 37 2 . . . . 48 L MD1 . 11073 1 620 . 1 1 50 50 LEU HD12 H 1 0.881 0.009 37 2 . . . . 48 L MD1 . 11073 1 621 . 1 1 50 50 LEU HD13 H 1 0.881 0.009 37 2 . . . . 48 L MD1 . 11073 1 622 . 1 1 50 50 LEU HD21 H 1 0.603 0.007 68 2 . . . . 48 L MD2 . 11073 1 623 . 1 1 50 50 LEU HD22 H 1 0.603 0.007 68 2 . . . . 48 L MD2 . 11073 1 624 . 1 1 50 50 LEU HD23 H 1 0.603 0.007 68 2 . . . . 48 L MD2 . 11073 1 625 . 1 1 50 50 LEU HG H 1 1.477 0.011 26 1 . . . . 48 L HG . 11073 1 626 . 1 1 50 50 LEU C C 13 173.180 0.031 2 1 . . . . 48 L C . 11073 1 627 . 1 1 50 50 LEU CA C 13 55.666 0.093 22 1 . . . . 48 L CA . 11073 1 628 . 1 1 50 50 LEU CB C 13 46.273 0.106 35 1 . . . . 48 L CB . 11073 1 629 . 1 1 50 50 LEU CD1 C 13 24.647 0.119 31 2 . . . . 48 L CD1 . 11073 1 630 . 1 1 50 50 LEU CD2 C 13 26.451 0.104 58 2 . . . . 48 L CD2 . 11073 1 631 . 1 1 50 50 LEU CG C 13 27.214 0.119 24 1 . . . . 48 L CG . 11073 1 632 . 1 1 50 50 LEU N N 15 125.955 0.038 42 1 . . . . 48 L N . 11073 1 633 . 1 1 51 51 ASP H H 1 8.602 0.003 30 1 . . . . 49 D H . 11073 1 634 . 1 1 51 51 ASP HA H 1 5.697 0.006 24 1 . . . . 49 D HA . 11073 1 635 . 1 1 51 51 ASP HB2 H 1 2.518 0.012 17 2 . . . . 49 D HB2 . 11073 1 636 . 1 1 51 51 ASP HB3 H 1 2.338 0.011 16 2 . . . . 49 D HB3 . 11073 1 637 . 1 1 51 51 ASP C C 13 175.322 0.004 2 1 . . . . 49 D C . 11073 1 638 . 1 1 51 51 ASP CA C 13 52.964 0.077 25 1 . . . . 49 D CA . 11073 1 639 . 1 1 51 51 ASP CB C 13 42.579 0.101 23 1 . . . . 49 D CB . 11073 1 640 . 1 1 51 51 ASP CG C 13 178.886 0.002 2 1 . . . . 49 D CG . 11073 1 641 . 1 1 51 51 ASP N N 15 126.928 0.045 27 1 . . . . 49 D N . 11073 1 642 . 1 1 52 52 VAL H H 1 9.532 0.006 42 1 . . . . 50 V H . 11073 1 643 . 1 1 52 52 VAL HA H 1 4.239 0.009 24 1 . . . . 50 V HA . 11073 1 644 . 1 1 52 52 VAL HB H 1 1.972 0.010 22 1 . . . . 50 V HB . 11073 1 645 . 1 1 52 52 VAL HG11 H 1 0.919 0.011 49 2 . . . . 50 V MG1 . 11073 1 646 . 1 1 52 52 VAL HG12 H 1 0.919 0.011 49 2 . . . . 50 V MG1 . 11073 1 647 . 1 1 52 52 VAL HG13 H 1 0.919 0.011 49 2 . . . . 50 V MG1 . 11073 1 648 . 1 1 52 52 VAL HG21 H 1 0.744 0.011 74 2 . . . . 50 V MG2 . 11073 1 649 . 1 1 52 52 VAL HG22 H 1 0.744 0.011 74 2 . . . . 50 V MG2 . 11073 1 650 . 1 1 52 52 VAL HG23 H 1 0.744 0.011 74 2 . . . . 50 V MG2 . 11073 1 651 . 1 1 52 52 VAL C C 13 173.255 0.028 2 1 . . . . 50 V C . 11073 1 652 . 1 1 52 52 VAL CA C 13 61.174 0.086 25 1 . . . . 50 V CA . 11073 1 653 . 1 1 52 52 VAL CB C 13 34.668 0.097 24 1 . . . . 50 V CB . 11073 1 654 . 1 1 52 52 VAL CG1 C 13 21.118 0.108 59 2 . . . . 50 V CG1 . 11073 1 655 . 1 1 52 52 VAL CG2 C 13 20.525 0.123 59 2 . . . . 50 V CG2 . 11073 1 656 . 1 1 52 52 VAL N N 15 122.559 0.049 37 1 . . . . 50 V N . 11073 1 657 . 1 1 53 53 ILE H H 1 8.442 0.003 30 1 . . . . 51 I H . 11073 1 658 . 1 1 53 53 ILE HA H 1 4.505 0.008 28 1 . . . . 51 I HA . 11073 1 659 . 1 1 53 53 ILE HB H 1 1.780 0.007 23 1 . . . . 51 I HB . 11073 1 660 . 1 1 53 53 ILE HD11 H 1 0.882 0.006 33 1 . . . . 51 I MD . 11073 1 661 . 1 1 53 53 ILE HD12 H 1 0.882 0.006 33 1 . . . . 51 I MD . 11073 1 662 . 1 1 53 53 ILE HD13 H 1 0.882 0.006 33 1 . . . . 51 I MD . 11073 1 663 . 1 1 53 53 ILE HG12 H 1 1.538 0.008 23 2 . . . . 51 I HG12 . 11073 1 664 . 1 1 53 53 ILE HG13 H 1 1.197 0.009 26 2 . . . . 51 I HG13 . 11073 1 665 . 1 1 53 53 ILE HG21 H 1 0.991 0.008 44 1 . . . . 51 I MG . 11073 1 666 . 1 1 53 53 ILE HG22 H 1 0.991 0.008 44 1 . . . . 51 I MG . 11073 1 667 . 1 1 53 53 ILE HG23 H 1 0.991 0.008 44 1 . . . . 51 I MG . 11073 1 668 . 1 1 53 53 ILE C C 13 175.963 0.009 2 1 . . . . 51 I C . 11073 1 669 . 1 1 53 53 ILE CA C 13 60.087 0.065 23 1 . . . . 51 I CA . 11073 1 670 . 1 1 53 53 ILE CB C 13 38.602 0.095 21 1 . . . . 51 I CB . 11073 1 671 . 1 1 53 53 ILE CD1 C 13 13.036 0.078 33 1 . . . . 51 I CD1 . 11073 1 672 . 1 1 53 53 ILE CG1 C 13 28.017 0.062 36 1 . . . . 51 I CG1 . 11073 1 673 . 1 1 53 53 ILE CG2 C 13 17.736 0.074 33 1 . . . . 51 I CG2 . 11073 1 674 . 1 1 53 53 ILE N N 15 127.801 0.046 28 1 . . . . 51 I N . 11073 1 675 . 1 1 54 54 ALA H H 1 8.260 0.006 40 1 . . . . 52 A H . 11073 1 676 . 1 1 54 54 ALA HA H 1 4.523 0.007 25 1 . . . . 52 A HA . 11073 1 677 . 1 1 54 54 ALA HB1 H 1 1.483 0.009 46 1 . . . . 52 A MB . 11073 1 678 . 1 1 54 54 ALA HB2 H 1 1.483 0.009 46 1 . . . . 52 A MB . 11073 1 679 . 1 1 54 54 ALA HB3 H 1 1.483 0.009 46 1 . . . . 52 A MB . 11073 1 680 . 1 1 54 54 ALA C C 13 176.320 . 1 1 . . . . 52 A C . 11073 1 681 . 1 1 54 54 ALA CA C 13 50.682 0.076 32 1 . . . . 52 A CA . 11073 1 682 . 1 1 54 54 ALA CB C 13 18.232 0.094 45 1 . . . . 52 A CB . 11073 1 683 . 1 1 54 54 ALA N N 15 131.388 0.038 37 1 . . . . 52 A N . 11073 1 684 . 1 1 55 55 PRO HA H 1 4.417 0.006 25 1 . . . . 53 P HA . 11073 1 685 . 1 1 55 55 PRO HB2 H 1 2.038 0.008 14 2 . . . . 53 P HB2 . 11073 1 686 . 1 1 55 55 PRO HB3 H 1 2.321 0.007 20 2 . . . . 53 P HB3 . 11073 1 687 . 1 1 55 55 PRO HD2 H 1 3.854 0.010 23 2 . . . . 53 P QD . 11073 1 688 . 1 1 55 55 PRO HD3 H 1 3.854 0.010 23 2 . . . . 53 P QD . 11073 1 689 . 1 1 55 55 PRO HG2 H 1 2.122 0.010 12 2 . . . . 53 P QG . 11073 1 690 . 1 1 55 55 PRO HG3 H 1 2.122 0.010 12 2 . . . . 53 P QG . 11073 1 691 . 1 1 55 55 PRO C C 13 177.199 0.008 2 1 . . . . 53 P C . 11073 1 692 . 1 1 55 55 PRO CA C 13 63.863 0.060 22 1 . . . . 53 P CA . 11073 1 693 . 1 1 55 55 PRO CB C 13 31.593 0.070 27 1 . . . . 53 P CB . 11073 1 694 . 1 1 55 55 PRO CD C 13 50.676 0.063 33 1 . . . . 53 P CD . 11073 1 695 . 1 1 55 55 PRO CG C 13 27.484 0.063 13 1 . . . . 53 P CG . 11073 1 696 . 1 1 56 56 SER H H 1 7.970 0.003 27 1 . . . . 54 S H . 11073 1 697 . 1 1 56 56 SER HA H 1 4.382 0.010 14 1 . . . . 54 S HA . 11073 1 698 . 1 1 56 56 SER HB2 H 1 3.982 0.013 7 2 . . . . 54 S HB2 . 11073 1 699 . 1 1 56 56 SER HB3 H 1 3.878 0.006 5 2 . . . . 54 S HB3 . 11073 1 700 . 1 1 56 56 SER C C 13 174.396 0.008 2 1 . . . . 54 S C . 11073 1 701 . 1 1 56 56 SER CA C 13 58.451 0.074 20 1 . . . . 54 S CA . 11073 1 702 . 1 1 56 56 SER CB C 13 63.368 0.082 7 1 . . . . 54 S CB . 11073 1 703 . 1 1 56 56 SER N N 15 111.865 0.023 25 1 . . . . 54 S N . 11073 1 704 . 1 1 57 57 ASP H H 1 7.892 0.006 30 1 . . . . 55 D H . 11073 1 705 . 1 1 57 57 ASP HA H 1 4.509 0.007 12 1 . . . . 55 D HA . 11073 1 706 . 1 1 57 57 ASP HB2 H 1 2.707 0.012 10 2 . . . . 55 D HB2 . 11073 1 707 . 1 1 57 57 ASP HB3 H 1 2.614 0.011 9 2 . . . . 55 D HB3 . 11073 1 708 . 1 1 57 57 ASP C C 13 174.774 0.009 2 1 . . . . 55 D C . 11073 1 709 . 1 1 57 57 ASP CA C 13 54.690 0.070 12 1 . . . . 55 D CA . 11073 1 710 . 1 1 57 57 ASP CB C 13 40.568 0.092 16 1 . . . . 55 D CB . 11073 1 711 . 1 1 57 57 ASP CG C 13 177.767 . 1 1 . . . . 55 D CG . 11073 1 712 . 1 1 57 57 ASP N N 15 120.095 0.038 26 1 . . . . 55 D N . 11073 1 713 . 1 1 58 58 ALA H H 1 8.077 0.003 27 1 . . . . 56 A H . 11073 1 714 . 1 1 58 58 ALA HA H 1 4.237 0.005 21 1 . . . . 56 A HA . 11073 1 715 . 1 1 58 58 ALA HB1 H 1 1.392 0.006 19 1 . . . . 56 A MB . 11073 1 716 . 1 1 58 58 ALA HB2 H 1 1.392 0.006 19 1 . . . . 56 A MB . 11073 1 717 . 1 1 58 58 ALA HB3 H 1 1.392 0.006 19 1 . . . . 56 A MB . 11073 1 718 . 1 1 58 58 ALA C C 13 177.576 0.005 2 1 . . . . 56 A C . 11073 1 719 . 1 1 58 58 ALA CA C 13 52.975 0.063 22 1 . . . . 56 A CA . 11073 1 720 . 1 1 58 58 ALA CB C 13 18.660 0.054 18 1 . . . . 56 A CB . 11073 1 721 . 1 1 58 58 ALA N N 15 123.579 0.032 23 1 . . . . 56 A N . 11073 1 722 . 1 1 59 59 GLY H H 1 8.361 0.004 36 1 . . . . 57 G H . 11073 1 723 . 1 1 59 59 GLY HA2 H 1 3.798 0.010 10 2 . . . . 57 G HA2 . 11073 1 724 . 1 1 59 59 GLY HA3 H 1 4.069 0.007 13 2 . . . . 57 G HA3 . 11073 1 725 . 1 1 59 59 GLY C C 13 174.099 0.006 3 1 . . . . 57 G C . 11073 1 726 . 1 1 59 59 GLY CA C 13 45.818 0.068 25 1 . . . . 57 G CA . 11073 1 727 . 1 1 59 59 GLY N N 15 105.468 0.024 33 1 . . . . 57 G N . 11073 1 728 . 1 1 60 60 ILE H H 1 7.768 0.004 41 1 . . . . 58 I H . 11073 1 729 . 1 1 60 60 ILE HA H 1 4.987 0.007 39 1 . . . . 58 I HA . 11073 1 730 . 1 1 60 60 ILE HB H 1 1.832 0.008 25 1 . . . . 58 I HB . 11073 1 731 . 1 1 60 60 ILE HD11 H 1 0.758 0.010 38 1 . . . . 58 I MD . 11073 1 732 . 1 1 60 60 ILE HD12 H 1 0.758 0.010 38 1 . . . . 58 I MD . 11073 1 733 . 1 1 60 60 ILE HD13 H 1 0.758 0.010 38 1 . . . . 58 I MD . 11073 1 734 . 1 1 60 60 ILE HG12 H 1 1.508 0.008 17 2 . . . . 58 I HG12 . 11073 1 735 . 1 1 60 60 ILE HG13 H 1 0.972 0.011 18 2 . . . . 58 I HG13 . 11073 1 736 . 1 1 60 60 ILE HG21 H 1 0.751 0.008 34 1 . . . . 58 I MG . 11073 1 737 . 1 1 60 60 ILE HG22 H 1 0.751 0.008 34 1 . . . . 58 I MG . 11073 1 738 . 1 1 60 60 ILE HG23 H 1 0.751 0.008 34 1 . . . . 58 I MG . 11073 1 739 . 1 1 60 60 ILE C C 13 173.851 0.009 2 1 . . . . 58 I C . 11073 1 740 . 1 1 60 60 ILE CA C 13 60.433 0.088 31 1 . . . . 58 I CA . 11073 1 741 . 1 1 60 60 ILE CB C 13 39.703 0.099 23 1 . . . . 58 I CB . 11073 1 742 . 1 1 60 60 ILE CD1 C 13 13.692 0.103 54 1 . . . . 58 I CD1 . 11073 1 743 . 1 1 60 60 ILE CG1 C 13 26.971 0.082 31 1 . . . . 58 I CG1 . 11073 1 744 . 1 1 60 60 ILE CG2 C 13 16.756 0.100 47 1 . . . . 58 I CG2 . 11073 1 745 . 1 1 60 60 ILE N N 15 121.628 0.043 39 1 . . . . 58 I N . 11073 1 746 . 1 1 61 61 VAL H H 1 8.722 0.004 38 1 . . . . 59 V H . 11073 1 747 . 1 1 61 61 VAL HA H 1 4.502 0.008 20 1 . . . . 59 V HA . 11073 1 748 . 1 1 61 61 VAL HB H 1 1.914 0.010 16 1 . . . . 59 V HB . 11073 1 749 . 1 1 61 61 VAL HG11 H 1 0.884 0.010 27 2 . . . . 59 V MG1 . 11073 1 750 . 1 1 61 61 VAL HG12 H 1 0.884 0.010 27 2 . . . . 59 V MG1 . 11073 1 751 . 1 1 61 61 VAL HG13 H 1 0.884 0.010 27 2 . . . . 59 V MG1 . 11073 1 752 . 1 1 61 61 VAL HG21 H 1 0.743 0.010 19 2 . . . . 59 V MG2 . 11073 1 753 . 1 1 61 61 VAL HG22 H 1 0.743 0.010 19 2 . . . . 59 V MG2 . 11073 1 754 . 1 1 61 61 VAL HG23 H 1 0.743 0.010 19 2 . . . . 59 V MG2 . 11073 1 755 . 1 1 61 61 VAL C C 13 173.564 0.009 2 1 . . . . 59 V C . 11073 1 756 . 1 1 61 61 VAL CA C 13 61.139 0.123 19 1 . . . . 59 V CA . 11073 1 757 . 1 1 61 61 VAL CB C 13 34.746 0.082 13 1 . . . . 59 V CB . 11073 1 758 . 1 1 61 61 VAL CG1 C 13 21.173 0.090 21 2 . . . . 59 V CG1 . 11073 1 759 . 1 1 61 61 VAL CG2 C 13 16.679 0.075 13 2 . . . . 59 V CG2 . 11073 1 760 . 1 1 61 61 VAL N N 15 127.063 0.025 34 1 . . . . 59 V N . 11073 1 761 . 1 1 62 62 ILE H H 1 8.961 0.005 43 1 . . . . 60 I H . 11073 1 762 . 1 1 62 62 ILE HA H 1 4.568 0.007 27 1 . . . . 60 I HA . 11073 1 763 . 1 1 62 62 ILE HB H 1 1.747 0.007 20 1 . . . . 60 I HB . 11073 1 764 . 1 1 62 62 ILE HD11 H 1 0.716 0.010 46 1 . . . . 60 I MD . 11073 1 765 . 1 1 62 62 ILE HD12 H 1 0.716 0.010 46 1 . . . . 60 I MD . 11073 1 766 . 1 1 62 62 ILE HD13 H 1 0.716 0.010 46 1 . . . . 60 I MD . 11073 1 767 . 1 1 62 62 ILE HG12 H 1 1.303 0.010 17 2 . . . . 60 I HG12 . 11073 1 768 . 1 1 62 62 ILE HG13 H 1 1.058 0.007 24 2 . . . . 60 I HG13 . 11073 1 769 . 1 1 62 62 ILE HG21 H 1 0.027 0.005 87 1 . . . . 60 I MG . 11073 1 770 . 1 1 62 62 ILE HG22 H 1 0.027 0.005 87 1 . . . . 60 I MG . 11073 1 771 . 1 1 62 62 ILE HG23 H 1 0.027 0.005 87 1 . . . . 60 I MG . 11073 1 772 . 1 1 62 62 ILE C C 13 173.873 0.016 2 1 . . . . 60 I C . 11073 1 773 . 1 1 62 62 ILE CA C 13 59.027 0.074 29 1 . . . . 60 I CA . 11073 1 774 . 1 1 62 62 ILE CB C 13 38.702 0.112 19 1 . . . . 60 I CB . 11073 1 775 . 1 1 62 62 ILE CD1 C 13 13.735 0.112 57 1 . . . . 60 I CD1 . 11073 1 776 . 1 1 62 62 ILE CG1 C 13 28.345 0.092 30 1 . . . . 60 I CG1 . 11073 1 777 . 1 1 62 62 ILE CG2 C 13 18.742 0.071 85 1 . . . . 60 I CG2 . 11073 1 778 . 1 1 62 62 ILE N N 15 127.062 0.039 38 1 . . . . 60 I N . 11073 1 779 . 1 1 63 63 ARG H H 1 9.114 0.005 43 1 . . . . 61 R H . 11073 1 780 . 1 1 63 63 ARG HA H 1 5.097 0.012 25 1 . . . . 61 R HA . 11073 1 781 . 1 1 63 63 ARG HB2 H 1 1.679 0.009 11 2 . . . . 61 R QB . 11073 1 782 . 1 1 63 63 ARG HB3 H 1 1.679 0.009 11 2 . . . . 61 R QB . 11073 1 783 . 1 1 63 63 ARG HD2 H 1 3.029 0.011 21 2 . . . . 61 R HD2 . 11073 1 784 . 1 1 63 63 ARG HD3 H 1 2.873 0.006 27 2 . . . . 61 R HD3 . 11073 1 785 . 1 1 63 63 ARG HE H 1 7.634 0.002 13 1 . . . . 61 R HE . 11073 1 786 . 1 1 63 63 ARG HG2 H 1 1.449 0.011 11 2 . . . . 61 R HG2 . 11073 1 787 . 1 1 63 63 ARG HG3 H 1 1.338 0.011 9 2 . . . . 61 R HG3 . 11073 1 788 . 1 1 63 63 ARG C C 13 175.261 0.010 2 1 . . . . 61 R C . 11073 1 789 . 1 1 63 63 ARG CA C 13 53.994 0.094 23 1 . . . . 61 R CA . 11073 1 790 . 1 1 63 63 ARG CB C 13 30.784 0.089 14 1 . . . . 61 R CB . 11073 1 791 . 1 1 63 63 ARG CD C 13 43.044 0.103 41 1 . . . . 61 R CD . 11073 1 792 . 1 1 63 63 ARG CG C 13 27.376 0.085 19 1 . . . . 61 R CG . 11073 1 793 . 1 1 63 63 ARG N N 15 125.477 0.044 38 1 . . . . 61 R N . 11073 1 794 . 1 1 63 63 ARG NE N 15 86.477 0.035 13 1 . . . . 61 R NE . 11073 1 795 . 1 1 64 64 PHE H H 1 9.240 0.005 54 1 . . . . 62 F H . 11073 1 796 . 1 1 64 64 PHE HA H 1 5.524 0.008 31 1 . . . . 62 F HA . 11073 1 797 . 1 1 64 64 PHE HB2 H 1 3.082 0.012 11 2 . . . . 62 F HB2 . 11073 1 798 . 1 1 64 64 PHE HB3 H 1 2.713 0.010 17 2 . . . . 62 F HB3 . 11073 1 799 . 1 1 64 64 PHE HD1 H 1 6.949 0.008 37 3 . . . . 62 F QD . 11073 1 800 . 1 1 64 64 PHE HD2 H 1 6.949 0.008 37 3 . . . . 62 F QD . 11073 1 801 . 1 1 64 64 PHE HE1 H 1 6.267 0.013 35 3 . . . . 62 F QE . 11073 1 802 . 1 1 64 64 PHE HE2 H 1 6.267 0.013 35 3 . . . . 62 F QE . 11073 1 803 . 1 1 64 64 PHE HZ H 1 6.120 0.011 18 1 . . . . 62 F HZ . 11073 1 804 . 1 1 64 64 PHE C C 13 176.898 0.010 2 1 . . . . 62 F C . 11073 1 805 . 1 1 64 64 PHE CA C 13 56.331 0.114 32 1 . . . . 62 F CA . 11073 1 806 . 1 1 64 64 PHE CB C 13 41.533 0.098 28 1 . . . . 62 F CB . 11073 1 807 . 1 1 64 64 PHE CD1 C 13 131.171 0.123 38 3 . . . . 62 F CD1 . 11073 1 808 . 1 1 64 64 PHE CD2 C 13 131.171 0.123 38 3 . . . . 62 F CD2 . 11073 1 809 . 1 1 64 64 PHE CE1 C 13 130.346 0.133 39 3 . . . . 62 F CE1 . 11073 1 810 . 1 1 64 64 PHE CE2 C 13 130.346 0.133 39 3 . . . . 62 F CE2 . 11073 1 811 . 1 1 64 64 PHE CZ C 13 128.011 0.114 21 1 . . . . 62 F CZ . 11073 1 812 . 1 1 64 64 PHE N N 15 121.472 0.038 50 1 . . . . 62 F N . 11073 1 813 . 1 1 65 65 LYS H H 1 8.935 0.006 45 1 . . . . 63 K H . 11073 1 814 . 1 1 65 65 LYS HA H 1 5.018 0.006 36 1 . . . . 63 K HA . 11073 1 815 . 1 1 65 65 LYS HB2 H 1 1.856 0.009 30 2 . . . . 63 K HB2 . 11073 1 816 . 1 1 65 65 LYS HB3 H 1 1.698 0.011 22 2 . . . . 63 K HB3 . 11073 1 817 . 1 1 65 65 LYS HD2 H 1 1.667 0.013 20 2 . . . . 63 K QD . 11073 1 818 . 1 1 65 65 LYS HD3 H 1 1.667 0.013 20 2 . . . . 63 K QD . 11073 1 819 . 1 1 65 65 LYS HE2 H 1 2.896 0.010 9 2 . . . . 63 K HE2 . 11073 1 820 . 1 1 65 65 LYS HE3 H 1 2.834 0.006 18 2 . . . . 63 K HE3 . 11073 1 821 . 1 1 65 65 LYS HG2 H 1 1.390 0.008 31 2 . . . . 63 K QG . 11073 1 822 . 1 1 65 65 LYS HG3 H 1 1.390 0.008 31 2 . . . . 63 K QG . 11073 1 823 . 1 1 65 65 LYS C C 13 174.413 0.035 2 1 . . . . 63 K C . 11073 1 824 . 1 1 65 65 LYS CA C 13 54.250 0.088 29 1 . . . . 63 K CA . 11073 1 825 . 1 1 65 65 LYS CB C 13 36.634 0.114 44 1 . . . . 63 K CB . 11073 1 826 . 1 1 65 65 LYS CD C 13 28.907 0.109 25 1 . . . . 63 K CD . 11073 1 827 . 1 1 65 65 LYS CE C 13 41.730 0.112 19 1 . . . . 63 K CE . 11073 1 828 . 1 1 65 65 LYS CG C 13 24.887 0.073 25 1 . . . . 63 K CG . 11073 1 829 . 1 1 65 65 LYS N N 15 121.144 0.052 40 1 . . . . 63 K N . 11073 1 830 . 1 1 66 66 ASN H H 1 8.611 0.003 41 1 . . . . 64 N H . 11073 1 831 . 1 1 66 66 ASN HA H 1 4.119 0.007 27 1 . . . . 64 N HA . 11073 1 832 . 1 1 66 66 ASN HB2 H 1 2.847 0.010 23 2 . . . . 64 N HB2 . 11073 1 833 . 1 1 66 66 ASN HB3 H 1 3.009 0.008 22 2 . . . . 64 N HB3 . 11073 1 834 . 1 1 66 66 ASN HD21 H 1 7.919 0.002 16 2 . . . . 64 N HD21 . 11073 1 835 . 1 1 66 66 ASN HD22 H 1 6.827 0.002 19 2 . . . . 64 N HD22 . 11073 1 836 . 1 1 66 66 ASN C C 13 175.047 0.005 2 1 . . . . 64 N C . 11073 1 837 . 1 1 66 66 ASN CA C 13 53.866 0.063 29 1 . . . . 64 N CA . 11073 1 838 . 1 1 66 66 ASN CB C 13 36.812 0.059 33 1 . . . . 64 N CB . 11073 1 839 . 1 1 66 66 ASN CG C 13 178.397 0.002 2 1 . . . . 64 N CG . 11073 1 840 . 1 1 66 66 ASN N N 15 117.889 0.048 38 1 . . . . 64 N N . 11073 1 841 . 1 1 66 66 ASN ND2 N 15 115.210 0.037 31 1 . . . . 64 N ND2 . 11073 1 842 . 1 1 67 67 LEU H H 1 8.111 0.003 48 1 . . . . 65 L H . 11073 1 843 . 1 1 67 67 LEU HA H 1 4.742 0.006 26 1 . . . . 65 L HA . 11073 1 844 . 1 1 67 67 LEU HB2 H 1 1.805 0.008 24 2 . . . . 65 L HB2 . 11073 1 845 . 1 1 67 67 LEU HB3 H 1 1.126 0.011 35 2 . . . . 65 L HB3 . 11073 1 846 . 1 1 67 67 LEU HD11 H 1 0.450 0.006 62 2 . . . . 65 L MD1 . 11073 1 847 . 1 1 67 67 LEU HD12 H 1 0.450 0.006 62 2 . . . . 65 L MD1 . 11073 1 848 . 1 1 67 67 LEU HD13 H 1 0.450 0.006 62 2 . . . . 65 L MD1 . 11073 1 849 . 1 1 67 67 LEU HD21 H 1 0.406 0.007 68 2 . . . . 65 L MD2 . 11073 1 850 . 1 1 67 67 LEU HD22 H 1 0.406 0.007 68 2 . . . . 65 L MD2 . 11073 1 851 . 1 1 67 67 LEU HD23 H 1 0.406 0.007 68 2 . . . . 65 L MD2 . 11073 1 852 . 1 1 67 67 LEU HG H 1 1.378 0.011 29 1 . . . . 65 L HG . 11073 1 853 . 1 1 67 67 LEU C C 13 175.904 0.034 2 1 . . . . 65 L C . 11073 1 854 . 1 1 67 67 LEU CA C 13 54.725 0.092 24 1 . . . . 65 L CA . 11073 1 855 . 1 1 67 67 LEU CB C 13 43.853 0.101 59 1 . . . . 65 L CB . 11073 1 856 . 1 1 67 67 LEU CD1 C 13 23.807 0.088 63 2 . . . . 65 L CD1 . 11073 1 857 . 1 1 67 67 LEU CD2 C 13 25.912 0.106 56 2 . . . . 65 L CD2 . 11073 1 858 . 1 1 67 67 LEU CG C 13 26.716 0.119 20 1 . . . . 65 L CG . 11073 1 859 . 1 1 67 67 LEU N N 15 117.599 0.056 45 1 . . . . 65 L N . 11073 1 860 . 1 1 68 68 ASN H H 1 9.530 0.005 44 1 . . . . 66 N H . 11073 1 861 . 1 1 68 68 ASN HA H 1 5.273 0.005 24 1 . . . . 66 N HA . 11073 1 862 . 1 1 68 68 ASN HB2 H 1 2.736 0.005 27 2 . . . . 66 N HB2 . 11073 1 863 . 1 1 68 68 ASN HB3 H 1 2.606 0.006 20 2 . . . . 66 N HB3 . 11073 1 864 . 1 1 68 68 ASN HD21 H 1 7.043 0.002 26 2 . . . . 66 N HD21 . 11073 1 865 . 1 1 68 68 ASN HD22 H 1 6.592 0.003 25 2 . . . . 66 N HD22 . 11073 1 866 . 1 1 68 68 ASN C C 13 174.880 0.035 2 1 . . . . 66 N C . 11073 1 867 . 1 1 68 68 ASN CA C 13 52.594 0.090 26 1 . . . . 66 N CA . 11073 1 868 . 1 1 68 68 ASN CB C 13 41.564 0.085 41 1 . . . . 66 N CB . 11073 1 869 . 1 1 68 68 ASN CG C 13 176.226 0.006 2 1 . . . . 66 N CG . 11073 1 870 . 1 1 68 68 ASN N N 15 123.331 0.034 38 1 . . . . 66 N N . 11073 1 871 . 1 1 68 68 ASN ND2 N 15 110.510 0.052 46 1 . . . . 66 N ND2 . 11073 1 872 . 1 1 69 69 ILE H H 1 9.540 0.006 41 1 . . . . 67 I H . 11073 1 873 . 1 1 69 69 ILE HA H 1 5.253 0.013 27 1 . . . . 67 I HA . 11073 1 874 . 1 1 69 69 ILE HB H 1 1.919 0.009 14 1 . . . . 67 I HB . 11073 1 875 . 1 1 69 69 ILE HD11 H 1 0.709 0.009 44 1 . . . . 67 I MD . 11073 1 876 . 1 1 69 69 ILE HD12 H 1 0.709 0.009 44 1 . . . . 67 I MD . 11073 1 877 . 1 1 69 69 ILE HD13 H 1 0.709 0.009 44 1 . . . . 67 I MD . 11073 1 878 . 1 1 69 69 ILE HG12 H 1 1.404 0.010 27 2 . . . . 67 I HG12 . 11073 1 879 . 1 1 69 69 ILE HG13 H 1 0.909 0.009 16 2 . . . . 67 I HG13 . 11073 1 880 . 1 1 69 69 ILE HG21 H 1 0.907 0.009 33 1 . . . . 67 I MG . 11073 1 881 . 1 1 69 69 ILE HG22 H 1 0.907 0.009 33 1 . . . . 67 I MG . 11073 1 882 . 1 1 69 69 ILE HG23 H 1 0.907 0.009 33 1 . . . . 67 I MG . 11073 1 883 . 1 1 69 69 ILE C C 13 176.512 0.035 2 1 . . . . 67 I C . 11073 1 884 . 1 1 69 69 ILE CA C 13 60.813 0.099 25 1 . . . . 67 I CA . 11073 1 885 . 1 1 69 69 ILE CB C 13 41.186 0.107 17 1 . . . . 67 I CB . 11073 1 886 . 1 1 69 69 ILE CD1 C 13 16.517 0.096 42 1 . . . . 67 I CD1 . 11073 1 887 . 1 1 69 69 ILE CG1 C 13 29.770 0.121 41 1 . . . . 67 I CG1 . 11073 1 888 . 1 1 69 69 ILE CG2 C 13 20.297 0.114 31 1 . . . . 67 I CG2 . 11073 1 889 . 1 1 69 69 ILE N N 15 126.657 0.018 36 1 . . . . 67 I N . 11073 1 890 . 1 1 70 70 THR H H 1 9.452 0.005 38 1 . . . . 68 T H . 11073 1 891 . 1 1 70 70 THR HA H 1 5.201 0.008 27 1 . . . . 68 T HA . 11073 1 892 . 1 1 70 70 THR HB H 1 4.369 0.004 22 1 . . . . 68 T HB . 11073 1 893 . 1 1 70 70 THR HG21 H 1 1.323 0.004 46 1 . . . . 68 T MG . 11073 1 894 . 1 1 70 70 THR HG22 H 1 1.323 0.004 46 1 . . . . 68 T MG . 11073 1 895 . 1 1 70 70 THR HG23 H 1 1.323 0.004 46 1 . . . . 68 T MG . 11073 1 896 . 1 1 70 70 THR C C 13 173.362 0.007 2 1 . . . . 68 T C . 11073 1 897 . 1 1 70 70 THR CA C 13 59.500 0.106 28 1 . . . . 68 T CA . 11073 1 898 . 1 1 70 70 THR CB C 13 71.416 0.077 19 1 . . . . 68 T CB . 11073 1 899 . 1 1 70 70 THR CG2 C 13 22.263 0.055 50 1 . . . . 68 T CG2 . 11073 1 900 . 1 1 70 70 THR N N 15 121.834 0.046 35 1 . . . . 68 T N . 11073 1 901 . 1 1 71 71 GLY H H 1 8.646 0.010 33 1 . . . . 69 G H . 11073 1 902 . 1 1 71 71 GLY HA2 H 1 5.341 0.010 19 2 . . . . 69 G HA2 . 11073 1 903 . 1 1 71 71 GLY HA3 H 1 3.779 0.010 11 2 . . . . 69 G HA3 . 11073 1 904 . 1 1 71 71 GLY C C 13 177.495 0.022 3 1 . . . . 69 G C . 11073 1 905 . 1 1 71 71 GLY CA C 13 45.035 0.076 27 1 . . . . 69 G CA . 11073 1 906 . 1 1 71 71 GLY N N 15 110.131 0.048 29 1 . . . . 69 G N . 11073 1 907 . 1 1 72 72 LEU H H 1 9.074 0.003 38 1 . . . . 70 L H . 11073 1 908 . 1 1 72 72 LEU HA H 1 3.882 0.010 25 1 . . . . 70 L HA . 11073 1 909 . 1 1 72 72 LEU HB2 H 1 1.973 0.014 17 2 . . . . 70 L HB2 . 11073 1 910 . 1 1 72 72 LEU HB3 H 1 1.020 0.012 17 2 . . . . 70 L HB3 . 11073 1 911 . 1 1 72 72 LEU HD11 H 1 0.894 0.009 34 2 . . . . 70 L MD1 . 11073 1 912 . 1 1 72 72 LEU HD12 H 1 0.894 0.009 34 2 . . . . 70 L MD1 . 11073 1 913 . 1 1 72 72 LEU HD13 H 1 0.894 0.009 34 2 . . . . 70 L MD1 . 11073 1 914 . 1 1 72 72 LEU HD21 H 1 0.457 0.009 50 2 . . . . 70 L MD2 . 11073 1 915 . 1 1 72 72 LEU HD22 H 1 0.457 0.009 50 2 . . . . 70 L MD2 . 11073 1 916 . 1 1 72 72 LEU HD23 H 1 0.457 0.009 50 2 . . . . 70 L MD2 . 11073 1 917 . 1 1 72 72 LEU HG H 1 1.659 0.010 13 1 . . . . 70 L HG . 11073 1 918 . 1 1 72 72 LEU C C 13 180.009 0.044 2 1 . . . . 70 L C . 11073 1 919 . 1 1 72 72 LEU CA C 13 57.473 0.087 25 1 . . . . 70 L CA . 11073 1 920 . 1 1 72 72 LEU CB C 13 41.333 0.102 31 1 . . . . 70 L CB . 11073 1 921 . 1 1 72 72 LEU CD1 C 13 25.405 0.105 34 2 . . . . 70 L CD1 . 11073 1 922 . 1 1 72 72 LEU CD2 C 13 22.445 0.117 48 2 . . . . 70 L CD2 . 11073 1 923 . 1 1 72 72 LEU CG C 13 26.743 0.121 10 1 . . . . 70 L CG . 11073 1 924 . 1 1 72 72 LEU N N 15 122.154 0.045 35 1 . . . . 70 L N . 11073 1 925 . 1 1 73 73 LYS H H 1 10.482 0.004 43 1 . . . . 71 K H . 11073 1 926 . 1 1 73 73 LYS HA H 1 4.173 0.010 30 1 . . . . 71 K HA . 11073 1 927 . 1 1 73 73 LYS HB2 H 1 1.886 0.011 15 2 . . . . 71 K HB2 . 11073 1 928 . 1 1 73 73 LYS HB3 H 1 1.594 0.010 20 2 . . . . 71 K HB3 . 11073 1 929 . 1 1 73 73 LYS HD2 H 1 1.646 0.012 10 2 . . . . 71 K QD . 11073 1 930 . 1 1 73 73 LYS HD3 H 1 1.646 0.012 10 2 . . . . 71 K QD . 11073 1 931 . 1 1 73 73 LYS HE2 H 1 3.002 0.005 6 2 . . . . 71 K HE2 . 11073 1 932 . 1 1 73 73 LYS HE3 H 1 2.953 0.013 14 2 . . . . 71 K HE3 . 11073 1 933 . 1 1 73 73 LYS HG2 H 1 1.585 0.007 11 2 . . . . 71 K HG2 . 11073 1 934 . 1 1 73 73 LYS HG3 H 1 1.164 0.007 18 2 . . . . 71 K HG3 . 11073 1 935 . 1 1 73 73 LYS C C 13 174.801 0.019 2 1 . . . . 71 K C . 11073 1 936 . 1 1 73 73 LYS CA C 13 58.517 0.099 32 1 . . . . 71 K CA . 11073 1 937 . 1 1 73 73 LYS CB C 13 31.467 0.112 28 1 . . . . 71 K CB . 11073 1 938 . 1 1 73 73 LYS CD C 13 29.508 0.112 11 1 . . . . 71 K CD . 11073 1 939 . 1 1 73 73 LYS CE C 13 41.742 0.114 32 1 . . . . 71 K CE . 11073 1 940 . 1 1 73 73 LYS CG C 13 23.680 0.075 27 1 . . . . 71 K CG . 11073 1 941 . 1 1 73 73 LYS N N 15 120.847 0.028 39 1 . . . . 71 K N . 11073 1 942 . 1 1 74 74 ASN H H 1 7.510 0.004 42 1 . . . . 72 N H . 11073 1 943 . 1 1 74 74 ASN HA H 1 5.105 0.007 21 1 . . . . 72 N HA . 11073 1 944 . 1 1 74 74 ASN HB2 H 1 3.217 0.008 17 2 . . . . 72 N HB2 . 11073 1 945 . 1 1 74 74 ASN HB3 H 1 2.669 0.009 15 2 . . . . 72 N HB3 . 11073 1 946 . 1 1 74 74 ASN HD21 H 1 7.702 0.005 20 2 . . . . 72 N HD21 . 11073 1 947 . 1 1 74 74 ASN HD22 H 1 6.903 0.007 16 2 . . . . 72 N HD22 . 11073 1 948 . 1 1 74 74 ASN C C 13 174.889 0.001 2 1 . . . . 72 N C . 11073 1 949 . 1 1 74 74 ASN CA C 13 52.046 0.068 20 1 . . . . 72 N CA . 11073 1 950 . 1 1 74 74 ASN CB C 13 39.263 0.076 26 1 . . . . 72 N CB . 11073 1 951 . 1 1 74 74 ASN CG C 13 177.070 0.006 2 1 . . . . 72 N CG . 11073 1 952 . 1 1 74 74 ASN N N 15 115.416 0.038 39 1 . . . . 72 N N . 11073 1 953 . 1 1 74 74 ASN ND2 N 15 112.679 0.054 30 1 . . . . 72 N ND2 . 11073 1 954 . 1 1 75 75 GLN H H 1 6.917 0.005 41 1 . . . . 73 Q H . 11073 1 955 . 1 1 75 75 GLN HA H 1 4.712 0.009 19 1 . . . . 73 Q HA . 11073 1 956 . 1 1 75 75 GLN HB2 H 1 2.011 0.008 8 2 . . . . 73 Q HB2 . 11073 1 957 . 1 1 75 75 GLN HB3 H 1 1.863 0.009 13 2 . . . . 73 Q HB3 . 11073 1 958 . 1 1 75 75 GLN HE22 H 1 7.884 0.005 21 2 . . . . 73 Q HE2 . 11073 1 959 . 1 1 75 75 GLN HG2 H 1 2.227 0.006 9 2 . . . . 73 Q QG . 11073 1 960 . 1 1 75 75 GLN HG3 H 1 2.227 0.006 9 2 . . . . 73 Q QG . 11073 1 961 . 1 1 75 75 GLN C C 13 173.411 0.019 2 1 . . . . 73 Q C . 11073 1 962 . 1 1 75 75 GLN CA C 13 56.396 0.085 20 1 . . . . 73 Q CA . 11073 1 963 . 1 1 75 75 GLN CB C 13 32.204 0.086 22 1 . . . . 73 Q CB . 11073 1 964 . 1 1 75 75 GLN CD C 13 178.525 . 1 1 . . . . 73 Q CD . 11073 1 965 . 1 1 75 75 GLN CG C 13 34.959 0.103 16 1 . . . . 73 Q CG . 11073 1 966 . 1 1 75 75 GLN N N 15 118.054 0.044 38 1 . . . . 73 Q N . 11073 1 967 . 1 1 75 75 GLN NE2 N 15 104.807 0.062 19 1 . . . . 73 Q NE2 . 11073 1 968 . 1 1 76 76 GLN H H 1 8.650 0.005 36 1 . . . . 74 Q H . 11073 1 969 . 1 1 76 76 GLN HA H 1 4.824 0.007 22 1 . . . . 74 Q HA . 11073 1 970 . 1 1 76 76 GLN HB2 H 1 2.139 0.013 20 2 . . . . 74 Q HB2 . 11073 1 971 . 1 1 76 76 GLN HB3 H 1 1.858 0.008 13 2 . . . . 74 Q HB3 . 11073 1 972 . 1 1 76 76 GLN HE21 H 1 7.506 0.001 10 2 . . . . 74 Q HE21 . 11073 1 973 . 1 1 76 76 GLN HE22 H 1 6.859 0.005 7 2 . . . . 74 Q HE22 . 11073 1 974 . 1 1 76 76 GLN HG2 H 1 2.444 0.007 21 2 . . . . 74 Q QG . 11073 1 975 . 1 1 76 76 GLN HG3 H 1 2.444 0.007 21 2 . . . . 74 Q QG . 11073 1 976 . 1 1 76 76 GLN C C 13 176.168 0.017 2 1 . . . . 74 Q C . 11073 1 977 . 1 1 76 76 GLN CA C 13 52.930 0.090 19 1 . . . . 74 Q CA . 11073 1 978 . 1 1 76 76 GLN CB C 13 32.151 0.065 29 1 . . . . 74 Q CB . 11073 1 979 . 1 1 76 76 GLN CD C 13 180.512 . 1 1 . . . . 74 Q CD . 11073 1 980 . 1 1 76 76 GLN CG C 13 33.784 0.088 24 1 . . . . 74 Q CG . 11073 1 981 . 1 1 76 76 GLN N N 15 117.971 0.027 32 1 . . . . 74 Q N . 11073 1 982 . 1 1 76 76 GLN NE2 N 15 113.088 0.028 13 1 . . . . 74 Q NE2 . 11073 1 983 . 1 1 77 77 ILE H H 1 9.347 0.002 30 1 . . . . 75 I H . 11073 1 984 . 1 1 77 77 ILE HA H 1 4.075 0.008 38 1 . . . . 75 I HA . 11073 1 985 . 1 1 77 77 ILE HB H 1 1.944 0.006 32 1 . . . . 75 I HB . 11073 1 986 . 1 1 77 77 ILE HD11 H 1 0.816 0.008 46 1 . . . . 75 I MD . 11073 1 987 . 1 1 77 77 ILE HD12 H 1 0.816 0.008 46 1 . . . . 75 I MD . 11073 1 988 . 1 1 77 77 ILE HD13 H 1 0.816 0.008 46 1 . . . . 75 I MD . 11073 1 989 . 1 1 77 77 ILE HG12 H 1 1.633 0.011 28 2 . . . . 75 I HG12 . 11073 1 990 . 1 1 77 77 ILE HG13 H 1 1.227 0.011 24 2 . . . . 75 I HG13 . 11073 1 991 . 1 1 77 77 ILE HG21 H 1 0.879 0.011 50 1 . . . . 75 I MG . 11073 1 992 . 1 1 77 77 ILE HG22 H 1 0.879 0.011 50 1 . . . . 75 I MG . 11073 1 993 . 1 1 77 77 ILE HG23 H 1 0.879 0.011 50 1 . . . . 75 I MG . 11073 1 994 . 1 1 77 77 ILE C C 13 175.651 0.011 2 1 . . . . 75 I C . 11073 1 995 . 1 1 77 77 ILE CA C 13 62.256 0.084 33 1 . . . . 75 I CA . 11073 1 996 . 1 1 77 77 ILE CB C 13 37.311 0.071 30 1 . . . . 75 I CB . 11073 1 997 . 1 1 77 77 ILE CD1 C 13 11.585 0.104 56 1 . . . . 75 I CD1 . 11073 1 998 . 1 1 77 77 ILE CG1 C 13 27.622 0.122 39 1 . . . . 75 I CG1 . 11073 1 999 . 1 1 77 77 ILE CG2 C 13 17.574 0.069 51 1 . . . . 75 I CG2 . 11073 1 1000 . 1 1 77 77 ILE N N 15 123.244 0.041 29 1 . . . . 75 I N . 11073 1 1001 . 1 1 78 78 SER H H 1 9.219 0.006 43 1 . . . . 76 S H . 11073 1 1002 . 1 1 78 78 SER HA H 1 4.621 0.005 21 1 . . . . 76 S HA . 11073 1 1003 . 1 1 78 78 SER HB2 H 1 3.628 0.006 25 2 . . . . 76 S HB2 . 11073 1 1004 . 1 1 78 78 SER HB3 H 1 3.539 0.006 17 2 . . . . 76 S HB3 . 11073 1 1005 . 1 1 78 78 SER C C 13 174.387 0.018 2 1 . . . . 76 S C . 11073 1 1006 . 1 1 78 78 SER CA C 13 58.889 0.112 24 1 . . . . 76 S CA . 11073 1 1007 . 1 1 78 78 SER CB C 13 64.213 0.088 47 1 . . . . 76 S CB . 11073 1 1008 . 1 1 78 78 SER N N 15 125.048 0.055 39 1 . . . . 76 S N . 11073 1 1009 . 1 1 79 79 ASP H H 1 8.054 0.004 44 1 . . . . 77 D H . 11073 1 1010 . 1 1 79 79 ASP HA H 1 4.780 0.006 18 1 . . . . 77 D HA . 11073 1 1011 . 1 1 79 79 ASP HB2 H 1 2.692 0.007 25 2 . . . . 77 D HB2 . 11073 1 1012 . 1 1 79 79 ASP HB3 H 1 2.228 0.008 24 2 . . . . 77 D HB3 . 11073 1 1013 . 1 1 79 79 ASP C C 13 173.380 0.019 2 1 . . . . 77 D C . 11073 1 1014 . 1 1 79 79 ASP CA C 13 54.205 0.108 21 1 . . . . 77 D CA . 11073 1 1015 . 1 1 79 79 ASP CB C 13 44.042 0.074 46 1 . . . . 77 D CB . 11073 1 1016 . 1 1 79 79 ASP CG C 13 178.599 0.003 2 1 . . . . 77 D CG . 11073 1 1017 . 1 1 79 79 ASP N N 15 118.405 0.028 40 1 . . . . 77 D N . 11073 1 1018 . 1 1 80 80 PHE H H 1 8.379 0.005 33 1 . . . . 78 F H . 11073 1 1019 . 1 1 80 80 PHE HA H 1 5.359 0.006 25 1 . . . . 78 F HA . 11073 1 1020 . 1 1 80 80 PHE HB2 H 1 3.020 0.014 20 2 . . . . 78 F HB2 . 11073 1 1021 . 1 1 80 80 PHE HB3 H 1 2.735 0.009 13 2 . . . . 78 F HB3 . 11073 1 1022 . 1 1 80 80 PHE HD1 H 1 7.176 0.011 26 3 . . . . 78 F QD . 11073 1 1023 . 1 1 80 80 PHE HD2 H 1 7.176 0.011 26 3 . . . . 78 F QD . 11073 1 1024 . 1 1 80 80 PHE C C 13 173.208 0.004 2 1 . . . . 78 F C . 11073 1 1025 . 1 1 80 80 PHE CA C 13 57.132 0.084 27 1 . . . . 78 F CA . 11073 1 1026 . 1 1 80 80 PHE CB C 13 41.990 0.114 26 1 . . . . 78 F CB . 11073 1 1027 . 1 1 80 80 PHE CD1 C 13 131.631 0.140 25 3 . . . . 78 F CD1 . 11073 1 1028 . 1 1 80 80 PHE CD2 C 13 131.631 0.140 25 3 . . . . 78 F CD2 . 11073 1 1029 . 1 1 80 80 PHE N N 15 123.861 0.062 31 1 . . . . 78 F N . 11073 1 1030 . 1 1 81 81 GLN H H 1 8.627 0.004 39 1 . . . . 79 Q H . 11073 1 1031 . 1 1 81 81 GLN HA H 1 4.290 0.007 20 1 . . . . 79 Q HA . 11073 1 1032 . 1 1 81 81 GLN HB2 H 1 1.877 0.007 11 2 . . . . 79 Q HB2 . 11073 1 1033 . 1 1 81 81 GLN HB3 H 1 1.617 0.009 19 2 . . . . 79 Q HB3 . 11073 1 1034 . 1 1 81 81 GLN HE21 H 1 8.061 0.002 19 2 . . . . 79 Q HE21 . 11073 1 1035 . 1 1 81 81 GLN HE22 H 1 6.586 0.002 18 2 . . . . 79 Q HE22 . 11073 1 1036 . 1 1 81 81 GLN HG2 H 1 2.162 0.006 23 2 . . . . 79 Q QG . 11073 1 1037 . 1 1 81 81 GLN HG3 H 1 2.162 0.006 23 2 . . . . 79 Q QG . 11073 1 1038 . 1 1 81 81 GLN C C 13 173.079 0.001 2 1 . . . . 79 Q C . 11073 1 1039 . 1 1 81 81 GLN CA C 13 53.617 0.122 23 1 . . . . 79 Q CA . 11073 1 1040 . 1 1 81 81 GLN CB C 13 31.203 0.088 22 1 . . . . 79 Q CB . 11073 1 1041 . 1 1 81 81 GLN CD C 13 179.859 . 1 1 . . . . 79 Q CD . 11073 1 1042 . 1 1 81 81 GLN CG C 13 32.484 0.081 28 1 . . . . 79 Q CG . 11073 1 1043 . 1 1 81 81 GLN N N 15 126.216 0.026 36 1 . . . . 79 Q N . 11073 1 1044 . 1 1 81 81 GLN NE2 N 15 113.422 0.049 32 1 . . . . 79 Q NE2 . 11073 1 1045 . 1 1 82 82 MET H H 1 8.462 0.005 28 1 . . . . 80 M H . 11073 1 1046 . 1 1 82 82 MET HA H 1 4.810 0.010 16 1 . . . . 80 M HA . 11073 1 1047 . 1 1 82 82 MET HB2 H 1 2.160 0.008 4 2 . . . . 80 M HB2 . 11073 1 1048 . 1 1 82 82 MET HB3 H 1 1.256 0.013 15 2 . . . . 80 M HB3 . 11073 1 1049 . 1 1 82 82 MET HE1 H 1 1.403 0.009 55 1 . . . . 80 M ME . 11073 1 1050 . 1 1 82 82 MET HE2 H 1 1.403 0.009 55 1 . . . . 80 M ME . 11073 1 1051 . 1 1 82 82 MET HE3 H 1 1.403 0.009 55 1 . . . . 80 M ME . 11073 1 1052 . 1 1 82 82 MET HG2 H 1 1.938 0.013 15 2 . . . . 80 M HG2 . 11073 1 1053 . 1 1 82 82 MET HG3 H 1 1.758 0.007 5 2 . . . . 80 M HG3 . 11073 1 1054 . 1 1 82 82 MET C C 13 172.958 0.003 2 1 . . . . 80 M C . 11073 1 1055 . 1 1 82 82 MET CA C 13 54.089 0.116 20 1 . . . . 80 M CA . 11073 1 1056 . 1 1 82 82 MET CB C 13 35.169 0.110 25 1 . . . . 80 M CB . 11073 1 1057 . 1 1 82 82 MET CE C 13 17.553 0.104 53 1 . . . . 80 M CE . 11073 1 1058 . 1 1 82 82 MET CG C 13 31.873 0.115 17 1 . . . . 80 M CG . 11073 1 1059 . 1 1 82 82 MET N N 15 126.801 0.034 25 1 . . . . 80 M N . 11073 1 1060 . 1 1 83 83 ASP H H 1 8.567 0.007 39 1 . . . . 81 D H . 11073 1 1061 . 1 1 83 83 ASP HA H 1 4.864 0.007 23 1 . . . . 81 D HA . 11073 1 1062 . 1 1 83 83 ASP HB2 H 1 3.111 0.007 18 2 . . . . 81 D HB2 . 11073 1 1063 . 1 1 83 83 ASP HB3 H 1 2.324 0.009 18 2 . . . . 81 D HB3 . 11073 1 1064 . 1 1 83 83 ASP C C 13 177.706 0.006 2 1 . . . . 81 D C . 11073 1 1065 . 1 1 83 83 ASP CA C 13 51.940 0.087 21 1 . . . . 81 D CA . 11073 1 1066 . 1 1 83 83 ASP CB C 13 41.576 0.080 23 1 . . . . 81 D CB . 11073 1 1067 . 1 1 83 83 ASP CG C 13 180.499 0.003 2 1 . . . . 81 D CG . 11073 1 1068 . 1 1 83 83 ASP N N 15 127.837 0.039 34 1 . . . . 81 D N . 11073 1 1069 . 1 1 84 84 THR H H 1 8.534 0.005 32 1 . . . . 82 T H . 11073 1 1070 . 1 1 84 84 THR HA H 1 4.643 0.010 28 1 . . . . 82 T HA . 11073 1 1071 . 1 1 84 84 THR HB H 1 4.505 0.006 26 1 . . . . 82 T HB . 11073 1 1072 . 1 1 84 84 THR HG21 H 1 1.221 0.009 39 1 . . . . 82 T MG . 11073 1 1073 . 1 1 84 84 THR HG22 H 1 1.221 0.009 39 1 . . . . 82 T MG . 11073 1 1074 . 1 1 84 84 THR HG23 H 1 1.221 0.009 39 1 . . . . 82 T MG . 11073 1 1075 . 1 1 84 84 THR C C 13 175.536 0.018 2 1 . . . . 82 T C . 11073 1 1076 . 1 1 84 84 THR CA C 13 62.393 0.074 25 1 . . . . 82 T CA . 11073 1 1077 . 1 1 84 84 THR CB C 13 68.348 0.072 23 1 . . . . 82 T CB . 11073 1 1078 . 1 1 84 84 THR CG2 C 13 21.843 0.105 37 1 . . . . 82 T CG2 . 11073 1 1079 . 1 1 84 84 THR N N 15 114.935 0.028 29 1 . . . . 82 T N . 11073 1 1080 . 1 1 85 85 LYS H H 1 8.399 0.003 36 1 . . . . 83 K H . 11073 1 1081 . 1 1 85 85 LYS HA H 1 4.335 0.006 24 1 . . . . 83 K HA . 11073 1 1082 . 1 1 85 85 LYS HB2 H 1 1.929 0.006 23 2 . . . . 83 K QB . 11073 1 1083 . 1 1 85 85 LYS HB3 H 1 1.929 0.006 23 2 . . . . 83 K QB . 11073 1 1084 . 1 1 85 85 LYS HD2 H 1 1.689 0.008 11 2 . . . . 83 K QD . 11073 1 1085 . 1 1 85 85 LYS HD3 H 1 1.689 0.008 11 2 . . . . 83 K QD . 11073 1 1086 . 1 1 85 85 LYS HE2 H 1 2.975 0.008 20 2 . . . . 83 K QE . 11073 1 1087 . 1 1 85 85 LYS HE3 H 1 2.975 0.008 20 2 . . . . 83 K QE . 11073 1 1088 . 1 1 85 85 LYS HG2 H 1 1.473 0.009 15 2 . . . . 83 K HG2 . 11073 1 1089 . 1 1 85 85 LYS HG3 H 1 1.375 0.008 13 2 . . . . 83 K HG3 . 11073 1 1090 . 1 1 85 85 LYS C C 13 177.349 0.009 2 1 . . . . 83 K C . 11073 1 1091 . 1 1 85 85 LYS CA C 13 57.857 0.066 20 1 . . . . 83 K CA . 11073 1 1092 . 1 1 85 85 LYS CB C 13 32.034 0.096 25 1 . . . . 83 K CB . 11073 1 1093 . 1 1 85 85 LYS CD C 13 28.645 0.111 13 1 . . . . 83 K CD . 11073 1 1094 . 1 1 85 85 LYS CE C 13 41.711 0.117 17 1 . . . . 83 K CE . 11073 1 1095 . 1 1 85 85 LYS CG C 13 24.717 0.090 23 1 . . . . 83 K CG . 11073 1 1096 . 1 1 85 85 LYS N N 15 123.715 0.029 32 1 . . . . 83 K N . 11073 1 1097 . 1 1 86 86 ALA H H 1 7.891 0.005 39 1 . . . . 84 A H . 11073 1 1098 . 1 1 86 86 ALA HA H 1 4.042 0.005 24 1 . . . . 84 A HA . 11073 1 1099 . 1 1 86 86 ALA HB1 H 1 1.216 0.010 24 1 . . . . 84 A MB . 11073 1 1100 . 1 1 86 86 ALA HB2 H 1 1.216 0.010 24 1 . . . . 84 A MB . 11073 1 1101 . 1 1 86 86 ALA HB3 H 1 1.216 0.010 24 1 . . . . 84 A MB . 11073 1 1102 . 1 1 86 86 ALA C C 13 176.646 0.002 2 1 . . . . 84 A C . 11073 1 1103 . 1 1 86 86 ALA CA C 13 52.165 0.088 25 1 . . . . 84 A CA . 11073 1 1104 . 1 1 86 86 ALA CB C 13 19.168 0.065 25 1 . . . . 84 A CB . 11073 1 1105 . 1 1 86 86 ALA N N 15 121.794 0.054 35 1 . . . . 84 A N . 11073 1 1106 . 1 1 87 87 LYS H H 1 7.720 0.006 47 1 . . . . 85 K H . 11073 1 1107 . 1 1 87 87 LYS HA H 1 3.479 0.006 38 1 . . . . 85 K HA . 11073 1 1108 . 1 1 87 87 LYS HB2 H 1 1.523 0.010 19 2 . . . . 85 K HB2 . 11073 1 1109 . 1 1 87 87 LYS HB3 H 1 1.622 0.013 18 2 . . . . 85 K HB3 . 11073 1 1110 . 1 1 87 87 LYS HD2 H 1 1.874 0.014 18 2 . . . . 85 K HD2 . 11073 1 1111 . 1 1 87 87 LYS HD3 H 1 0.563 0.014 19 2 . . . . 85 K HD3 . 11073 1 1112 . 1 1 87 87 LYS HE2 H 1 3.095 0.007 8 2 . . . . 85 K HE2 . 11073 1 1113 . 1 1 87 87 LYS HE3 H 1 3.065 0.008 8 2 . . . . 85 K HE3 . 11073 1 1114 . 1 1 87 87 LYS HG2 H 1 0.915 0.008 14 2 . . . . 85 K HG2 . 11073 1 1115 . 1 1 87 87 LYS HG3 H 1 1.072 0.010 23 2 . . . . 85 K HG3 . 11073 1 1116 . 1 1 87 87 LYS C C 13 174.891 0.004 2 1 . . . . 85 K C . 11073 1 1117 . 1 1 87 87 LYS CA C 13 57.164 0.091 36 1 . . . . 85 K CA . 11073 1 1118 . 1 1 87 87 LYS CB C 13 29.148 0.097 36 1 . . . . 85 K CB . 11073 1 1119 . 1 1 87 87 LYS CD C 13 27.138 0.115 29 1 . . . . 85 K CD . 11073 1 1120 . 1 1 87 87 LYS CE C 13 41.984 0.091 20 1 . . . . 85 K CE . 11073 1 1121 . 1 1 87 87 LYS CG C 13 24.741 0.112 32 1 . . . . 85 K CG . 11073 1 1122 . 1 1 87 87 LYS N N 15 114.299 0.037 44 1 . . . . 85 K N . 11073 1 1123 . 1 1 88 88 THR H H 1 7.776 0.004 44 1 . . . . 86 T H . 11073 1 1124 . 1 1 88 88 THR HA H 1 4.916 0.010 22 1 . . . . 86 T HA . 11073 1 1125 . 1 1 88 88 THR HB H 1 4.002 0.007 22 1 . . . . 86 T HB . 11073 1 1126 . 1 1 88 88 THR HG21 H 1 0.916 0.006 36 1 . . . . 86 T MG . 11073 1 1127 . 1 1 88 88 THR HG22 H 1 0.916 0.006 36 1 . . . . 86 T MG . 11073 1 1128 . 1 1 88 88 THR HG23 H 1 0.916 0.006 36 1 . . . . 86 T MG . 11073 1 1129 . 1 1 88 88 THR C C 13 172.722 0.003 2 1 . . . . 86 T C . 11073 1 1130 . 1 1 88 88 THR CA C 13 59.453 0.050 20 1 . . . . 86 T CA . 11073 1 1131 . 1 1 88 88 THR CB C 13 72.132 0.065 22 1 . . . . 86 T CB . 11073 1 1132 . 1 1 88 88 THR CG2 C 13 21.011 0.112 34 1 . . . . 86 T CG2 . 11073 1 1133 . 1 1 88 88 THR N N 15 108.216 0.049 42 1 . . . . 86 T N . 11073 1 1134 . 1 1 89 89 VAL H H 1 8.758 0.005 35 1 . . . . 87 V H . 11073 1 1135 . 1 1 89 89 VAL HA H 1 4.232 0.009 17 1 . . . . 87 V HA . 11073 1 1136 . 1 1 89 89 VAL HB H 1 0.798 0.012 23 1 . . . . 87 V HB . 11073 1 1137 . 1 1 89 89 VAL HG11 H 1 0.647 0.012 54 2 . . . . 87 V MG1 . 11073 1 1138 . 1 1 89 89 VAL HG12 H 1 0.647 0.012 54 2 . . . . 87 V MG1 . 11073 1 1139 . 1 1 89 89 VAL HG13 H 1 0.647 0.012 54 2 . . . . 87 V MG1 . 11073 1 1140 . 1 1 89 89 VAL HG21 H 1 0.478 0.013 59 2 . . . . 87 V MG2 . 11073 1 1141 . 1 1 89 89 VAL HG22 H 1 0.478 0.013 59 2 . . . . 87 V MG2 . 11073 1 1142 . 1 1 89 89 VAL HG23 H 1 0.478 0.013 59 2 . . . . 87 V MG2 . 11073 1 1143 . 1 1 89 89 VAL C C 13 173.884 0.041 2 1 . . . . 87 V C . 11073 1 1144 . 1 1 89 89 VAL CA C 13 61.227 0.064 17 1 . . . . 87 V CA . 11073 1 1145 . 1 1 89 89 VAL CB C 13 35.219 0.083 25 1 . . . . 87 V CB . 11073 1 1146 . 1 1 89 89 VAL CG1 C 13 22.263 0.097 35 2 . . . . 87 V CG1 . 11073 1 1147 . 1 1 89 89 VAL CG2 C 13 21.951 0.132 43 2 . . . . 87 V CG2 . 11073 1 1148 . 1 1 89 89 VAL N N 15 122.288 0.040 31 1 . . . . 87 V N . 11073 1 1149 . 1 1 90 90 LEU H H 1 8.146 0.006 30 1 . . . . 88 L H . 11073 1 1150 . 1 1 90 90 LEU HA H 1 4.880 0.010 30 1 . . . . 88 L HA . 11073 1 1151 . 1 1 90 90 LEU HB2 H 1 1.320 0.012 12 2 . . . . 88 L HB2 . 11073 1 1152 . 1 1 90 90 LEU HB3 H 1 1.464 0.009 13 2 . . . . 88 L HB3 . 11073 1 1153 . 1 1 90 90 LEU HD11 H 1 0.679 0.006 16 2 . . . . 88 L MD1 . 11073 1 1154 . 1 1 90 90 LEU HD12 H 1 0.679 0.006 16 2 . . . . 88 L MD1 . 11073 1 1155 . 1 1 90 90 LEU HD13 H 1 0.679 0.006 16 2 . . . . 88 L MD1 . 11073 1 1156 . 1 1 90 90 LEU HD21 H 1 0.688 0.007 14 2 . . . . 88 L MD2 . 11073 1 1157 . 1 1 90 90 LEU HD22 H 1 0.688 0.007 14 2 . . . . 88 L MD2 . 11073 1 1158 . 1 1 90 90 LEU HD23 H 1 0.688 0.007 14 2 . . . . 88 L MD2 . 11073 1 1159 . 1 1 90 90 LEU HG H 1 1.258 0.010 21 1 . . . . 88 L HG . 11073 1 1160 . 1 1 90 90 LEU C C 13 173.320 0.047 2 1 . . . . 88 L C . 11073 1 1161 . 1 1 90 90 LEU CA C 13 53.697 0.088 25 1 . . . . 88 L CA . 11073 1 1162 . 1 1 90 90 LEU CB C 13 44.337 0.100 28 1 . . . . 88 L CB . 11073 1 1163 . 1 1 90 90 LEU CD1 C 13 25.005 0.118 30 2 . . . . 88 L CD1 . 11073 1 1164 . 1 1 90 90 LEU CD2 C 13 23.743 0.124 31 2 . . . . 88 L CD2 . 11073 1 1165 . 1 1 90 90 LEU CG C 13 27.752 0.106 21 1 . . . . 88 L CG . 11073 1 1166 . 1 1 90 90 LEU N N 15 128.628 0.037 26 1 . . . . 88 L N . 11073 1 1167 . 1 1 91 91 LEU H H 1 8.990 0.005 43 1 . . . . 89 L H . 11073 1 1168 . 1 1 91 91 LEU HA H 1 5.106 0.016 24 1 . . . . 89 L HA . 11073 1 1169 . 1 1 91 91 LEU HB2 H 1 1.939 0.008 32 2 . . . . 89 L HB2 . 11073 1 1170 . 1 1 91 91 LEU HB3 H 1 1.405 0.014 15 2 . . . . 89 L HB3 . 11073 1 1171 . 1 1 91 91 LEU HD11 H 1 1.091 0.009 49 2 . . . . 89 L MD1 . 11073 1 1172 . 1 1 91 91 LEU HD12 H 1 1.091 0.009 49 2 . . . . 89 L MD1 . 11073 1 1173 . 1 1 91 91 LEU HD13 H 1 1.091 0.009 49 2 . . . . 89 L MD1 . 11073 1 1174 . 1 1 91 91 LEU HD21 H 1 0.866 0.016 42 2 . . . . 89 L MD2 . 11073 1 1175 . 1 1 91 91 LEU HD22 H 1 0.866 0.016 42 2 . . . . 89 L MD2 . 11073 1 1176 . 1 1 91 91 LEU HD23 H 1 0.866 0.016 42 2 . . . . 89 L MD2 . 11073 1 1177 . 1 1 91 91 LEU C C 13 173.314 0.046 2 1 . . . . 89 L C . 11073 1 1178 . 1 1 91 91 LEU CA C 13 53.756 0.105 28 1 . . . . 89 L CA . 11073 1 1179 . 1 1 91 91 LEU CB C 13 45.233 0.087 39 1 . . . . 89 L CB . 11073 1 1180 . 1 1 91 91 LEU CD1 C 13 23.903 0.181 44 2 . . . . 89 L CD1 . 11073 1 1181 . 1 1 91 91 LEU CD2 C 13 25.225 0.128 36 2 . . . . 89 L CD2 . 11073 1 1182 . 1 1 91 91 LEU N N 15 127.999 0.034 39 1 . . . . 89 L N . 11073 1 1183 . 1 1 92 92 LYS H H 1 8.976 0.007 34 1 . . . . 90 K H . 11073 1 1184 . 1 1 92 92 LYS HA H 1 5.881 0.011 30 1 . . . . 90 K HA . 11073 1 1185 . 1 1 92 92 LYS HB2 H 1 1.642 0.011 33 2 . . . . 90 K QB . 11073 1 1186 . 1 1 92 92 LYS HB3 H 1 1.642 0.011 33 2 . . . . 90 K QB . 11073 1 1187 . 1 1 92 92 LYS HD2 H 1 1.577 0.010 18 2 . . . . 90 K QD . 11073 1 1188 . 1 1 92 92 LYS HD3 H 1 1.577 0.010 18 2 . . . . 90 K QD . 11073 1 1189 . 1 1 92 92 LYS HE2 H 1 2.739 0.007 12 2 . . . . 90 K HE2 . 11073 1 1190 . 1 1 92 92 LYS HE3 H 1 2.678 0.008 14 2 . . . . 90 K HE3 . 11073 1 1191 . 1 1 92 92 LYS HG2 H 1 1.268 0.010 9 2 . . . . 90 K HG2 . 11073 1 1192 . 1 1 92 92 LYS HG3 H 1 1.208 0.012 15 2 . . . . 90 K HG3 . 11073 1 1193 . 1 1 92 92 LYS C C 13 176.683 0.025 2 1 . . . . 90 K C . 11073 1 1194 . 1 1 92 92 LYS CA C 13 54.310 0.087 28 1 . . . . 90 K CA . 11073 1 1195 . 1 1 92 92 LYS CB C 13 35.290 0.072 32 1 . . . . 90 K CB . 11073 1 1196 . 1 1 92 92 LYS CD C 13 29.395 0.101 24 1 . . . . 90 K CD . 11073 1 1197 . 1 1 92 92 LYS CE C 13 41.463 0.093 22 1 . . . . 90 K CE . 11073 1 1198 . 1 1 92 92 LYS CG C 13 25.015 0.092 38 1 . . . . 90 K CG . 11073 1 1199 . 1 1 92 92 LYS N N 15 126.107 0.058 31 1 . . . . 90 K N . 11073 1 1200 . 1 1 93 93 THR H H 1 9.049 0.005 43 1 . . . . 91 T H . 11073 1 1201 . 1 1 93 93 THR HA H 1 5.521 0.011 28 1 . . . . 91 T HA . 11073 1 1202 . 1 1 93 93 THR HB H 1 4.294 0.007 31 1 . . . . 91 T HB . 11073 1 1203 . 1 1 93 93 THR HG21 H 1 1.220 0.011 41 1 . . . . 91 T MG . 11073 1 1204 . 1 1 93 93 THR HG22 H 1 1.220 0.011 41 1 . . . . 91 T MG . 11073 1 1205 . 1 1 93 93 THR HG23 H 1 1.220 0.011 41 1 . . . . 91 T MG . 11073 1 1206 . 1 1 93 93 THR C C 13 170.519 0.031 2 1 . . . . 91 T C . 11073 1 1207 . 1 1 93 93 THR CA C 13 58.218 0.113 22 1 . . . . 91 T CA . 11073 1 1208 . 1 1 93 93 THR CB C 13 72.095 0.112 33 1 . . . . 91 T CB . 11073 1 1209 . 1 1 93 93 THR CG2 C 13 21.435 0.142 41 1 . . . . 91 T CG2 . 11073 1 1210 . 1 1 93 93 THR N N 15 115.324 0.031 40 1 . . . . 91 T N . 11073 1 1211 . 1 1 94 94 LYS H H 1 8.866 0.006 39 1 . . . . 92 K H . 11073 1 1212 . 1 1 94 94 LYS HA H 1 5.678 0.009 42 1 . . . . 92 K HA . 11073 1 1213 . 1 1 94 94 LYS HB2 H 1 1.751 0.008 9 2 . . . . 92 K HB2 . 11073 1 1214 . 1 1 94 94 LYS HB3 H 1 1.685 0.008 14 2 . . . . 92 K HB3 . 11073 1 1215 . 1 1 94 94 LYS HD2 H 1 1.622 0.009 17 2 . . . . 92 K QD . 11073 1 1216 . 1 1 94 94 LYS HD3 H 1 1.622 0.009 17 2 . . . . 92 K QD . 11073 1 1217 . 1 1 94 94 LYS HE2 H 1 2.892 0.011 13 2 . . . . 92 K QE . 11073 1 1218 . 1 1 94 94 LYS HE3 H 1 2.892 0.011 13 2 . . . . 92 K QE . 11073 1 1219 . 1 1 94 94 LYS HG2 H 1 1.447 0.009 10 2 . . . . 92 K HG2 . 11073 1 1220 . 1 1 94 94 LYS HG3 H 1 1.344 0.013 17 2 . . . . 92 K HG3 . 11073 1 1221 . 1 1 94 94 LYS C C 13 175.680 0.034 2 1 . . . . 92 K C . 11073 1 1222 . 1 1 94 94 LYS CA C 13 53.550 0.120 42 1 . . . . 92 K CA . 11073 1 1223 . 1 1 94 94 LYS CB C 13 36.214 0.097 37 1 . . . . 92 K CB . 11073 1 1224 . 1 1 94 94 LYS CD C 13 29.513 0.085 22 1 . . . . 92 K CD . 11073 1 1225 . 1 1 94 94 LYS CE C 13 41.655 0.129 12 1 . . . . 92 K CE . 11073 1 1226 . 1 1 94 94 LYS CG C 13 24.452 0.104 24 1 . . . . 92 K CG . 11073 1 1227 . 1 1 94 94 LYS N N 15 118.875 0.056 36 1 . . . . 92 K N . 11073 1 1228 . 1 1 95 95 ALA H H 1 8.985 0.004 33 1 . . . . 93 A H . 11073 1 1229 . 1 1 95 95 ALA HA H 1 4.752 0.006 21 1 . . . . 93 A HA . 11073 1 1230 . 1 1 95 95 ALA HB1 H 1 1.130 0.008 42 1 . . . . 93 A MB . 11073 1 1231 . 1 1 95 95 ALA HB2 H 1 1.130 0.008 42 1 . . . . 93 A MB . 11073 1 1232 . 1 1 95 95 ALA HB3 H 1 1.130 0.008 42 1 . . . . 93 A MB . 11073 1 1233 . 1 1 95 95 ALA C C 13 174.307 . 2 1 . . . . 93 A C . 11073 1 1234 . 1 1 95 95 ALA CA C 13 50.872 0.095 24 1 . . . . 93 A CA . 11073 1 1235 . 1 1 95 95 ALA CB C 13 22.247 0.099 49 1 . . . . 93 A CB . 11073 1 1236 . 1 1 95 95 ALA N N 15 126.175 0.045 32 1 . . . . 93 A N . 11073 1 1237 . 1 1 96 96 ASP H H 1 8.870 0.004 25 1 . . . . 94 D H . 11073 1 1238 . 1 1 96 96 ASP HA H 1 5.181 0.012 24 1 . . . . 94 D HA . 11073 1 1239 . 1 1 96 96 ASP HB2 H 1 2.650 0.010 7 2 . . . . 94 D HB2 . 11073 1 1240 . 1 1 96 96 ASP HB3 H 1 2.570 0.003 4 2 . . . . 94 D HB3 . 11073 1 1241 . 1 1 96 96 ASP C C 13 175.067 0.037 2 1 . . . . 94 D C . 11073 1 1242 . 1 1 96 96 ASP CA C 13 53.652 0.082 22 1 . . . . 94 D CA . 11073 1 1243 . 1 1 96 96 ASP CB C 13 40.919 0.104 14 1 . . . . 94 D CB . 11073 1 1244 . 1 1 96 96 ASP CG C 13 180.367 0.029 2 1 . . . . 94 D CG . 11073 1 1245 . 1 1 96 96 ASP N N 15 123.657 0.047 23 1 . . . . 94 D N . 11073 1 1246 . 1 1 97 97 LEU H H 1 8.967 0.003 41 1 . . . . 95 L H . 11073 1 1247 . 1 1 97 97 LEU HA H 1 5.272 0.008 28 1 . . . . 95 L HA . 11073 1 1248 . 1 1 97 97 LEU HB2 H 1 1.727 0.013 22 2 . . . . 95 L HB2 . 11073 1 1249 . 1 1 97 97 LEU HB3 H 1 1.146 0.013 21 2 . . . . 95 L HB3 . 11073 1 1250 . 1 1 97 97 LEU HD11 H 1 0.757 0.007 26 2 . . . . 95 L MD1 . 11073 1 1251 . 1 1 97 97 LEU HD12 H 1 0.757 0.007 26 2 . . . . 95 L MD1 . 11073 1 1252 . 1 1 97 97 LEU HD13 H 1 0.757 0.007 26 2 . . . . 95 L MD1 . 11073 1 1253 . 1 1 97 97 LEU HD21 H 1 0.573 0.006 42 2 . . . . 95 L MD2 . 11073 1 1254 . 1 1 97 97 LEU HD22 H 1 0.573 0.006 42 2 . . . . 95 L MD2 . 11073 1 1255 . 1 1 97 97 LEU HD23 H 1 0.573 0.006 42 2 . . . . 95 L MD2 . 11073 1 1256 . 1 1 97 97 LEU HG H 1 1.672 0.013 13 1 . . . . 95 L HG . 11073 1 1257 . 1 1 97 97 LEU C C 13 175.831 0.036 2 1 . . . . 95 L C . 11073 1 1258 . 1 1 97 97 LEU CA C 13 53.324 0.081 25 1 . . . . 95 L CA . 11073 1 1259 . 1 1 97 97 LEU CB C 13 44.604 0.085 35 1 . . . . 95 L CB . 11073 1 1260 . 1 1 97 97 LEU CD1 C 13 25.060 0.107 21 2 . . . . 95 L CD1 . 11073 1 1261 . 1 1 97 97 LEU CD2 C 13 22.385 0.101 42 2 . . . . 95 L CD2 . 11073 1 1262 . 1 1 97 97 LEU CG C 13 26.367 0.118 16 1 . . . . 95 L CG . 11073 1 1263 . 1 1 97 97 LEU N N 15 122.619 0.040 36 1 . . . . 95 L N . 11073 1 1264 . 1 1 98 98 HIS H H 1 8.741 0.007 33 1 . . . . 96 H H . 11073 1 1265 . 1 1 98 98 HIS HA H 1 5.535 0.009 22 1 . . . . 96 H HA . 11073 1 1266 . 1 1 98 98 HIS HB2 H 1 3.507 0.010 18 2 . . . . 96 H HB2 . 11073 1 1267 . 1 1 98 98 HIS HB3 H 1 2.957 0.009 17 2 . . . . 96 H HB3 . 11073 1 1268 . 1 1 98 98 HIS HD2 H 1 7.298 0.007 17 1 . . . . 96 H HD2 . 11073 1 1269 . 1 1 98 98 HIS HE1 H 1 8.425 0.013 7 1 . . . . 96 H HE1 . 11073 1 1270 . 1 1 98 98 HIS C C 13 173.443 0.048 2 1 . . . . 96 H C . 11073 1 1271 . 1 1 98 98 HIS CA C 13 54.893 0.077 24 1 . . . . 96 H CA . 11073 1 1272 . 1 1 98 98 HIS CB C 13 29.550 0.103 30 1 . . . . 96 H CB . 11073 1 1273 . 1 1 98 98 HIS CD2 C 13 119.760 0.067 12 1 . . . . 96 H CD2 . 11073 1 1274 . 1 1 98 98 HIS CE1 C 13 135.824 0.088 7 1 . . . . 96 H CE1 . 11073 1 1275 . 1 1 98 98 HIS N N 15 121.735 0.040 29 1 . . . . 96 H N . 11073 1 1276 . 1 1 99 99 ILE H H 1 9.138 0.005 40 1 . . . . 97 I H . 11073 1 1277 . 1 1 99 99 ILE HA H 1 4.624 0.016 24 1 . . . . 97 I HA . 11073 1 1278 . 1 1 99 99 ILE HB H 1 1.749 0.009 14 1 . . . . 97 I HB . 11073 1 1279 . 1 1 99 99 ILE HD11 H 1 0.758 0.010 44 1 . . . . 97 I MD . 11073 1 1280 . 1 1 99 99 ILE HD12 H 1 0.758 0.010 44 1 . . . . 97 I MD . 11073 1 1281 . 1 1 99 99 ILE HD13 H 1 0.758 0.010 44 1 . . . . 97 I MD . 11073 1 1282 . 1 1 99 99 ILE HG12 H 1 1.501 0.004 6 2 . . . . 97 I HG12 . 11073 1 1283 . 1 1 99 99 ILE HG13 H 1 0.955 0.011 11 2 . . . . 97 I HG13 . 11073 1 1284 . 1 1 99 99 ILE HG21 H 1 0.788 0.012 33 1 . . . . 97 I MG . 11073 1 1285 . 1 1 99 99 ILE HG22 H 1 0.788 0.012 33 1 . . . . 97 I MG . 11073 1 1286 . 1 1 99 99 ILE HG23 H 1 0.788 0.012 33 1 . . . . 97 I MG . 11073 1 1287 . 1 1 99 99 ILE C C 13 173.724 . 1 1 . . . . 97 I C . 11073 1 1288 . 1 1 99 99 ILE CA C 13 60.317 0.104 23 1 . . . . 97 I CA . 11073 1 1289 . 1 1 99 99 ILE CB C 13 41.535 0.102 19 1 . . . . 97 I CB . 11073 1 1290 . 1 1 99 99 ILE CD1 C 13 13.945 0.104 52 1 . . . . 97 I CD1 . 11073 1 1291 . 1 1 99 99 ILE CG1 C 13 27.911 0.089 18 1 . . . . 97 I CG1 . 11073 1 1292 . 1 1 99 99 ILE CG2 C 13 18.653 0.079 42 1 . . . . 97 I CG2 . 11073 1 1293 . 1 1 99 99 ILE N N 15 128.652 0.035 35 1 . . . . 97 I N . 11073 1 1294 . 1 1 100 100 VAL H H 1 8.468 0.005 39 1 . . . . 98 V H . 11073 1 1295 . 1 1 100 100 VAL HA H 1 5.488 0.008 25 1 . . . . 98 V HA . 11073 1 1296 . 1 1 100 100 VAL HB H 1 2.057 0.010 23 1 . . . . 98 V HB . 11073 1 1297 . 1 1 100 100 VAL HG11 H 1 1.062 0.009 30 2 . . . . 98 V MG1 . 11073 1 1298 . 1 1 100 100 VAL HG12 H 1 1.062 0.009 30 2 . . . . 98 V MG1 . 11073 1 1299 . 1 1 100 100 VAL HG13 H 1 1.062 0.009 30 2 . . . . 98 V MG1 . 11073 1 1300 . 1 1 100 100 VAL HG21 H 1 0.991 0.007 31 2 . . . . 98 V MG2 . 11073 1 1301 . 1 1 100 100 VAL HG22 H 1 0.991 0.007 31 2 . . . . 98 V MG2 . 11073 1 1302 . 1 1 100 100 VAL HG23 H 1 0.991 0.007 31 2 . . . . 98 V MG2 . 11073 1 1303 . 1 1 100 100 VAL C C 13 175.498 0.029 2 1 . . . . 98 V C . 11073 1 1304 . 1 1 100 100 VAL CA C 13 59.855 0.186 20 1 . . . . 98 V CA . 11073 1 1305 . 1 1 100 100 VAL CB C 13 35.586 0.104 24 1 . . . . 98 V CB . 11073 1 1306 . 1 1 100 100 VAL CG1 C 13 20.510 0.117 34 2 . . . . 98 V CG1 . 11073 1 1307 . 1 1 100 100 VAL CG2 C 13 21.269 0.061 26 2 . . . . 98 V CG2 . 11073 1 1308 . 1 1 100 100 VAL N N 15 124.373 0.043 35 1 . . . . 98 V N . 11073 1 1309 . 1 1 101 101 GLY H H 1 9.172 0.004 43 1 . . . . 99 G H . 11073 1 1310 . 1 1 101 101 GLY HA2 H 1 4.636 0.010 24 2 . . . . 99 G HA2 . 11073 1 1311 . 1 1 101 101 GLY HA3 H 1 3.973 0.009 19 2 . . . . 99 G HA3 . 11073 1 1312 . 1 1 101 101 GLY C C 13 170.832 0.028 3 1 . . . . 99 G C . 11073 1 1313 . 1 1 101 101 GLY CA C 13 46.212 0.089 47 1 . . . . 99 G CA . 11073 1 1314 . 1 1 101 101 GLY N N 15 111.859 0.037 41 1 . . . . 99 G N . 11073 1 1315 . 1 1 102 102 ASP H H 1 8.140 0.004 40 1 . . . . 100 D H . 11073 1 1316 . 1 1 102 102 ASP HA H 1 5.124 0.007 21 1 . . . . 100 D HA . 11073 1 1317 . 1 1 102 102 ASP HB2 H 1 2.766 0.009 12 2 . . . . 100 D QB . 11073 1 1318 . 1 1 102 102 ASP HB3 H 1 2.766 0.009 12 2 . . . . 100 D QB . 11073 1 1319 . 1 1 102 102 ASP C C 13 175.005 0.032 2 1 . . . . 100 D C . 11073 1 1320 . 1 1 102 102 ASP CA C 13 55.073 0.099 21 1 . . . . 100 D CA . 11073 1 1321 . 1 1 102 102 ASP CB C 13 42.027 0.075 13 1 . . . . 100 D CB . 11073 1 1322 . 1 1 102 102 ASP CG C 13 175.970 . 1 1 . . . . 100 D CG . 11073 1 1323 . 1 1 102 102 ASP N N 15 120.746 0.038 35 1 . . . . 100 D N . 11073 1 1324 . 1 1 103 103 ILE H H 1 8.718 0.004 45 1 . . . . 101 I H . 11073 1 1325 . 1 1 103 103 ILE HA H 1 5.263 0.009 26 1 . . . . 101 I HA . 11073 1 1326 . 1 1 103 103 ILE HB H 1 1.427 0.004 25 1 . . . . 101 I HB . 11073 1 1327 . 1 1 103 103 ILE HD11 H 1 0.440 0.006 67 1 . . . . 101 I MD . 11073 1 1328 . 1 1 103 103 ILE HD12 H 1 0.440 0.006 67 1 . . . . 101 I MD . 11073 1 1329 . 1 1 103 103 ILE HD13 H 1 0.440 0.006 67 1 . . . . 101 I MD . 11073 1 1330 . 1 1 103 103 ILE HG12 H 1 0.606 0.013 17 2 . . . . 101 I QG . 11073 1 1331 . 1 1 103 103 ILE HG13 H 1 0.813 0.013 10 2 . . . . 101 I QG . 11073 1 1332 . 1 1 103 103 ILE HG21 H 1 0.619 0.010 53 1 . . . . 101 I MG . 11073 1 1333 . 1 1 103 103 ILE HG22 H 1 0.619 0.010 53 1 . . . . 101 I MG . 11073 1 1334 . 1 1 103 103 ILE HG23 H 1 0.619 0.010 53 1 . . . . 101 I MG . 11073 1 1335 . 1 1 103 103 ILE C C 13 172.909 0.056 2 1 . . . . 101 I C . 11073 1 1336 . 1 1 103 103 ILE CA C 13 58.579 0.092 28 1 . . . . 101 I CA . 11073 1 1337 . 1 1 103 103 ILE CB C 13 42.588 0.110 27 1 . . . . 101 I CB . 11073 1 1338 . 1 1 103 103 ILE CD1 C 13 15.617 0.096 57 1 . . . . 101 I CD1 . 11073 1 1339 . 1 1 103 103 ILE CG1 C 13 28.097 0.101 19 1 . . . . 101 I CG1 . 11073 1 1340 . 1 1 103 103 ILE CG2 C 13 16.271 0.087 46 1 . . . . 101 I CG2 . 11073 1 1341 . 1 1 103 103 ILE N N 15 118.989 0.033 41 1 . . . . 101 I N . 11073 1 1342 . 1 1 104 104 VAL H H 1 8.646 0.004 39 1 . . . . 102 V H . 11073 1 1343 . 1 1 104 104 VAL HA H 1 4.776 0.008 18 1 . . . . 102 V HA . 11073 1 1344 . 1 1 104 104 VAL HB H 1 1.885 0.009 15 1 . . . . 102 V HB . 11073 1 1345 . 1 1 104 104 VAL HG11 H 1 0.916 0.007 13 2 . . . . 102 V MG1 . 11073 1 1346 . 1 1 104 104 VAL HG12 H 1 0.916 0.007 13 2 . . . . 102 V MG1 . 11073 1 1347 . 1 1 104 104 VAL HG13 H 1 0.916 0.007 13 2 . . . . 102 V MG1 . 11073 1 1348 . 1 1 104 104 VAL HG21 H 1 0.838 0.002 13 2 . . . . 102 V MG2 . 11073 1 1349 . 1 1 104 104 VAL HG22 H 1 0.838 0.002 13 2 . . . . 102 V MG2 . 11073 1 1350 . 1 1 104 104 VAL HG23 H 1 0.838 0.002 13 2 . . . . 102 V MG2 . 11073 1 1351 . 1 1 104 104 VAL C C 13 174.829 0.045 2 1 . . . . 102 V C . 11073 1 1352 . 1 1 104 104 VAL CA C 13 60.877 0.109 16 1 . . . . 102 V CA . 11073 1 1353 . 1 1 104 104 VAL CB C 13 34.867 0.118 19 1 . . . . 102 V CB . 11073 1 1354 . 1 1 104 104 VAL CG1 C 13 20.719 0.104 40 2 . . . . 102 V CG1 . 11073 1 1355 . 1 1 104 104 VAL CG2 C 13 20.719 0.104 40 2 . . . . 102 V CG2 . 11073 1 1356 . 1 1 104 104 VAL N N 15 127.433 0.030 36 1 . . . . 102 V N . 11073 1 1357 . 1 1 105 105 ILE H H 1 9.310 0.005 34 1 . . . . 103 I H . 11073 1 1358 . 1 1 105 105 ILE HA H 1 4.514 0.006 16 1 . . . . 103 I HA . 11073 1 1359 . 1 1 105 105 ILE HB H 1 1.849 0.008 19 1 . . . . 103 I HB . 11073 1 1360 . 1 1 105 105 ILE HD11 H 1 0.796 0.010 21 1 . . . . 103 I MD . 11073 1 1361 . 1 1 105 105 ILE HD12 H 1 0.796 0.010 21 1 . . . . 103 I MD . 11073 1 1362 . 1 1 105 105 ILE HD13 H 1 0.796 0.010 21 1 . . . . 103 I MD . 11073 1 1363 . 1 1 105 105 ILE HG12 H 1 1.547 0.012 6 2 . . . . 103 I HG1 . 11073 1 1364 . 1 1 105 105 ILE HG13 H 1 1.547 0.012 6 2 . . . . 103 I HG1 . 11073 1 1365 . 1 1 105 105 ILE HG21 H 1 0.753 0.009 20 1 . . . . 103 I HG2 . 11073 1 1366 . 1 1 105 105 ILE HG22 H 1 0.753 0.009 20 1 . . . . 103 I HG2 . 11073 1 1367 . 1 1 105 105 ILE HG23 H 1 0.753 0.009 20 1 . . . . 103 I HG2 . 11073 1 1368 . 1 1 105 105 ILE C C 13 174.045 0.006 2 1 . . . . 103 I C . 11073 1 1369 . 1 1 105 105 ILE CA C 13 60.224 0.088 17 1 . . . . 103 I CA . 11073 1 1370 . 1 1 105 105 ILE CB C 13 39.946 0.117 23 1 . . . . 103 I CB . 11073 1 1371 . 1 1 105 105 ILE CD1 C 13 14.897 0.110 23 1 . . . . 103 I CD1 . 11073 1 1372 . 1 1 105 105 ILE CG2 C 13 16.698 0.089 30 1 . . . . 103 I CG2 . 11073 1 1373 . 1 1 105 105 ILE N N 15 126.464 0.034 31 1 . . . . 103 I N . 11073 1 1374 . 1 1 106 106 GLU H H 1 9.410 0.004 42 1 . . . . 104 E H . 11073 1 1375 . 1 1 106 106 GLU HA H 1 4.827 0.007 36 1 . . . . 104 E HA . 11073 1 1376 . 1 1 106 106 GLU HB2 H 1 2.217 0.007 3 2 . . . . 104 E HB2 . 11073 1 1377 . 1 1 106 106 GLU HB3 H 1 1.927 0.009 21 2 . . . . 104 E HB3 . 11073 1 1378 . 1 1 106 106 GLU HG2 H 1 2.072 0.008 24 2 . . . . 104 E HG2 . 11073 1 1379 . 1 1 106 106 GLU HG3 H 1 1.925 0.007 19 2 . . . . 104 E HG3 . 11073 1 1380 . 1 1 106 106 GLU C C 13 174.579 0.035 2 1 . . . . 104 E C . 11073 1 1381 . 1 1 106 106 GLU CA C 13 54.825 0.096 31 1 . . . . 104 E CA . 11073 1 1382 . 1 1 106 106 GLU CB C 13 31.535 0.138 26 1 . . . . 104 E CB . 11073 1 1383 . 1 1 106 106 GLU CD C 13 182.912 0.001 2 1 . . . . 104 E CD . 11073 1 1384 . 1 1 106 106 GLU CG C 13 35.918 0.100 36 1 . . . . 104 E CG . 11073 1 1385 . 1 1 106 106 GLU N N 15 127.602 0.055 39 1 . . . . 104 E N . 11073 1 1386 . 1 1 107 107 LEU H H 1 8.452 0.003 42 1 . . . . 105 L H . 11073 1 1387 . 1 1 107 107 LEU HA H 1 5.083 0.008 33 1 . . . . 105 L HA . 11073 1 1388 . 1 1 107 107 LEU HB2 H 1 1.784 0.001 2 2 . . . . 105 L HB2 . 11073 1 1389 . 1 1 107 107 LEU HB3 H 1 1.720 0.011 9 2 . . . . 105 L HB3 . 11073 1 1390 . 1 1 107 107 LEU HD11 H 1 0.945 0.006 40 2 . . . . 105 L MD1 . 11073 1 1391 . 1 1 107 107 LEU HD12 H 1 0.945 0.006 40 2 . . . . 105 L MD1 . 11073 1 1392 . 1 1 107 107 LEU HD13 H 1 0.945 0.006 40 2 . . . . 105 L MD1 . 11073 1 1393 . 1 1 107 107 LEU HD21 H 1 0.876 0.009 32 2 . . . . 105 L MD2 . 11073 1 1394 . 1 1 107 107 LEU HD22 H 1 0.876 0.009 32 2 . . . . 105 L MD2 . 11073 1 1395 . 1 1 107 107 LEU HD23 H 1 0.876 0.009 32 2 . . . . 105 L MD2 . 11073 1 1396 . 1 1 107 107 LEU HG H 1 1.666 0.013 17 1 . . . . 105 L HG . 11073 1 1397 . 1 1 107 107 LEU C C 13 178.088 0.009 2 1 . . . . 105 L C . 11073 1 1398 . 1 1 107 107 LEU CA C 13 53.051 0.078 36 1 . . . . 105 L CA . 11073 1 1399 . 1 1 107 107 LEU CB C 13 39.814 0.104 31 1 . . . . 105 L CB . 11073 1 1400 . 1 1 107 107 LEU CD1 C 13 25.671 0.093 43 2 . . . . 105 L CD1 . 11073 1 1401 . 1 1 107 107 LEU CD2 C 13 24.489 0.104 29 2 . . . . 105 L CD2 . 11073 1 1402 . 1 1 107 107 LEU CG C 13 27.639 0.102 23 1 . . . . 105 L CG . 11073 1 1403 . 1 1 107 107 LEU N N 15 125.731 0.038 37 1 . . . . 105 L N . 11073 1 1404 . 1 1 108 108 THR H H 1 8.101 0.004 48 1 . . . . 106 T H . 11073 1 1405 . 1 1 108 108 THR HA H 1 3.953 0.007 22 1 . . . . 106 T HA . 11073 1 1406 . 1 1 108 108 THR HB H 1 4.124 0.009 23 1 . . . . 106 T HB . 11073 1 1407 . 1 1 108 108 THR HG21 H 1 1.221 0.009 30 1 . . . . 106 T MG . 11073 1 1408 . 1 1 108 108 THR HG22 H 1 1.221 0.009 30 1 . . . . 106 T MG . 11073 1 1409 . 1 1 108 108 THR HG23 H 1 1.221 0.009 30 1 . . . . 106 T MG . 11073 1 1410 . 1 1 108 108 THR C C 13 177.472 0.016 2 1 . . . . 106 T C . 11073 1 1411 . 1 1 108 108 THR CA C 13 65.855 0.077 25 1 . . . . 106 T CA . 11073 1 1412 . 1 1 108 108 THR CB C 13 68.423 0.088 29 1 . . . . 106 T CB . 11073 1 1413 . 1 1 108 108 THR CG2 C 13 21.756 0.073 29 1 . . . . 106 T CG2 . 11073 1 1414 . 1 1 108 108 THR N N 15 116.994 0.060 43 1 . . . . 106 T N . 11073 1 1415 . 1 1 109 109 GLU H H 1 9.021 0.002 35 1 . . . . 107 E H . 11073 1 1416 . 1 1 109 109 GLU HA H 1 4.190 0.006 18 1 . . . . 107 E HA . 11073 1 1417 . 1 1 109 109 GLU HB2 H 1 2.140 0.009 11 2 . . . . 107 E HB2 . 11073 1 1418 . 1 1 109 109 GLU HB3 H 1 2.035 0.007 14 2 . . . . 107 E HB3 . 11073 1 1419 . 1 1 109 109 GLU HG2 H 1 2.371 0.008 17 2 . . . . 107 E HG2 . 11073 1 1420 . 1 1 109 109 GLU HG3 H 1 2.264 0.005 15 2 . . . . 107 E HG3 . 11073 1 1421 . 1 1 109 109 GLU C C 13 177.245 0.002 2 1 . . . . 107 E C . 11073 1 1422 . 1 1 109 109 GLU CA C 13 58.249 0.086 22 1 . . . . 107 E CA . 11073 1 1423 . 1 1 109 109 GLU CB C 13 29.067 0.092 21 1 . . . . 107 E CB . 11073 1 1424 . 1 1 109 109 GLU CD C 13 183.138 0.003 2 1 . . . . 107 E CD . 11073 1 1425 . 1 1 109 109 GLU CG C 13 36.196 0.086 34 1 . . . . 107 E CG . 11073 1 1426 . 1 1 109 109 GLU N N 15 121.341 0.028 31 1 . . . . 107 E N . 11073 1 1427 . 1 1 110 110 GLN H H 1 7.410 0.003 37 1 . . . . 108 Q H . 11073 1 1428 . 1 1 110 110 GLN HA H 1 4.444 0.006 17 1 . . . . 108 Q HA . 11073 1 1429 . 1 1 110 110 GLN HB2 H 1 2.355 0.009 25 2 . . . . 108 Q HB2 . 11073 1 1430 . 1 1 110 110 GLN HB3 H 1 1.746 0.009 13 2 . . . . 108 Q HB3 . 11073 1 1431 . 1 1 110 110 GLN HE21 H 1 7.580 0.002 11 2 . . . . 108 Q HE21 . 11073 1 1432 . 1 1 110 110 GLN HE22 H 1 6.983 0.002 15 2 . . . . 108 Q HE22 . 11073 1 1433 . 1 1 110 110 GLN HG2 H 1 2.352 0.010 30 2 . . . . 108 Q QG . 11073 1 1434 . 1 1 110 110 GLN HG3 H 1 2.352 0.010 30 2 . . . . 108 Q QG . 11073 1 1435 . 1 1 110 110 GLN C C 13 174.663 0.014 2 1 . . . . 108 Q C . 11073 1 1436 . 1 1 110 110 GLN CA C 13 55.232 0.083 17 1 . . . . 108 Q CA . 11073 1 1437 . 1 1 110 110 GLN CB C 13 29.968 0.115 27 1 . . . . 108 Q CB . 11073 1 1438 . 1 1 110 110 GLN CD C 13 179.473 . 1 1 . . . . 108 Q CD . 11073 1 1439 . 1 1 110 110 GLN CG C 13 33.952 0.103 31 1 . . . . 108 Q CG . 11073 1 1440 . 1 1 110 110 GLN N N 15 114.613 0.042 33 1 . . . . 108 Q N . 11073 1 1441 . 1 1 110 110 GLN NE2 N 15 112.599 0.044 24 1 . . . . 108 Q NE2 . 11073 1 1442 . 1 1 111 111 SER H H 1 7.800 0.004 37 1 . . . . 109 S H . 11073 1 1443 . 1 1 111 111 SER HA H 1 3.991 0.006 13 1 . . . . 109 S HA . 11073 1 1444 . 1 1 111 111 SER HB2 H 1 4.046 0.004 6 2 . . . . 109 S HB2 . 11073 1 1445 . 1 1 111 111 SER HB3 H 1 3.901 0.006 10 2 . . . . 109 S HB3 . 11073 1 1446 . 1 1 111 111 SER C C 13 173.366 0.014 2 1 . . . . 109 S C . 11073 1 1447 . 1 1 111 111 SER CA C 13 58.280 0.105 17 1 . . . . 109 S CA . 11073 1 1448 . 1 1 111 111 SER CB C 13 61.303 0.087 14 1 . . . . 109 S CB . 11073 1 1449 . 1 1 111 111 SER N N 15 113.100 0.032 31 1 . . . . 109 S N . 11073 1 1450 . 1 1 112 112 LYS H H 1 7.214 0.003 42 1 . . . . 110 K H . 11073 1 1451 . 1 1 112 112 LYS HA H 1 4.561 0.008 21 1 . . . . 110 K HA . 11073 1 1452 . 1 1 112 112 LYS HB2 H 1 1.495 0.009 12 2 . . . . 110 K HB2 . 11073 1 1453 . 1 1 112 112 LYS HB3 H 1 1.435 0.008 10 2 . . . . 110 K HB3 . 11073 1 1454 . 1 1 112 112 LYS HD2 H 1 1.768 0.012 12 2 . . . . 110 K HD2 . 11073 1 1455 . 1 1 112 112 LYS HD3 H 1 1.603 0.007 10 2 . . . . 110 K HD3 . 11073 1 1456 . 1 1 112 112 LYS HE2 H 1 2.961 0.008 22 2 . . . . 110 K QE . 11073 1 1457 . 1 1 112 112 LYS HE3 H 1 2.961 0.008 22 2 . . . . 110 K QE . 11073 1 1458 . 1 1 112 112 LYS HG2 H 1 1.311 0.005 8 2 . . . . 110 K HG2 . 11073 1 1459 . 1 1 112 112 LYS HG3 H 1 1.228 0.012 18 2 . . . . 110 K HG3 . 11073 1 1460 . 1 1 112 112 LYS C C 13 174.688 0.013 2 1 . . . . 110 K C . 11073 1 1461 . 1 1 112 112 LYS CA C 13 54.413 0.061 21 1 . . . . 110 K CA . 11073 1 1462 . 1 1 112 112 LYS CB C 13 36.924 0.063 47 1 . . . . 110 K CB . 11073 1 1463 . 1 1 112 112 LYS CD C 13 29.570 0.093 14 1 . . . . 110 K CD . 11073 1 1464 . 1 1 112 112 LYS CE C 13 41.804 0.123 19 1 . . . . 110 K CE . 11073 1 1465 . 1 1 112 112 LYS CG C 13 24.656 0.094 22 1 . . . . 110 K CG . 11073 1 1466 . 1 1 112 112 LYS N N 15 116.963 0.033 37 1 . . . . 110 K N . 11073 1 1467 . 1 1 113 113 SER H H 1 7.882 0.004 35 1 . . . . 111 S H . 11073 1 1468 . 1 1 113 113 SER HA H 1 5.331 0.007 34 1 . . . . 111 S HA . 11073 1 1469 . 1 1 113 113 SER HB2 H 1 3.532 0.005 15 2 . . . . 111 S HB2 . 11073 1 1470 . 1 1 113 113 SER HB3 H 1 3.478 0.005 15 2 . . . . 111 S HB3 . 11073 1 1471 . 1 1 113 113 SER C C 13 172.212 0.008 2 1 . . . . 111 S C . 11073 1 1472 . 1 1 113 113 SER CA C 13 56.509 0.067 32 1 . . . . 111 S CA . 11073 1 1473 . 1 1 113 113 SER CB C 13 65.387 0.077 36 1 . . . . 111 S CB . 11073 1 1474 . 1 1 113 113 SER N N 15 115.947 0.018 32 1 . . . . 111 S N . 11073 1 1475 . 1 1 114 114 PHE H H 1 8.879 0.005 36 1 . . . . 112 F H . 11073 1 1476 . 1 1 114 114 PHE HA H 1 4.990 0.008 31 1 . . . . 112 F HA . 11073 1 1477 . 1 1 114 114 PHE HB2 H 1 3.112 0.007 17 2 . . . . 112 F HB2 . 11073 1 1478 . 1 1 114 114 PHE HB3 H 1 2.525 0.009 17 2 . . . . 112 F HB3 . 11073 1 1479 . 1 1 114 114 PHE HD1 H 1 7.106 0.007 22 3 . . . . 112 F QD . 11073 1 1480 . 1 1 114 114 PHE HD2 H 1 7.106 0.007 22 3 . . . . 112 F QD . 11073 1 1481 . 1 1 114 114 PHE HE1 H 1 7.150 0.005 22 3 . . . . 112 F QE . 11073 1 1482 . 1 1 114 114 PHE HE2 H 1 7.150 0.005 22 3 . . . . 112 F QE . 11073 1 1483 . 1 1 114 114 PHE HZ H 1 7.175 0.010 8 1 . . . . 112 F HZ . 11073 1 1484 . 1 1 114 114 PHE C C 13 174.480 0.016 2 1 . . . . 112 F C . 11073 1 1485 . 1 1 114 114 PHE CA C 13 55.807 0.117 25 1 . . . . 112 F CA . 11073 1 1486 . 1 1 114 114 PHE CB C 13 42.820 0.130 32 1 . . . . 112 F CB . 11073 1 1487 . 1 1 114 114 PHE CD1 C 13 131.868 0.112 20 3 . . . . 112 F CD1 . 11073 1 1488 . 1 1 114 114 PHE CD2 C 13 131.868 0.112 20 3 . . . . 112 F CD2 . 11073 1 1489 . 1 1 114 114 PHE CE1 C 13 130.605 0.126 22 3 . . . . 112 F CE1 . 11073 1 1490 . 1 1 114 114 PHE CE2 C 13 130.605 0.126 22 3 . . . . 112 F CE2 . 11073 1 1491 . 1 1 114 114 PHE CZ C 13 129.209 0.044 7 1 . . . . 112 F CZ . 11073 1 1492 . 1 1 114 114 PHE N N 15 121.641 0.038 32 1 . . . . 112 F N . 11073 1 1493 . 1 1 115 115 THR H H 1 8.581 0.005 28 1 . . . . 113 T H . 11073 1 1494 . 1 1 115 115 THR HA H 1 5.502 0.007 27 1 . . . . 113 T HA . 11073 1 1495 . 1 1 115 115 THR HB H 1 4.197 0.006 23 1 . . . . 113 T HB . 11073 1 1496 . 1 1 115 115 THR HG21 H 1 1.203 0.008 20 1 . . . . 113 T MG . 11073 1 1497 . 1 1 115 115 THR HG22 H 1 1.203 0.008 20 1 . . . . 113 T MG . 11073 1 1498 . 1 1 115 115 THR HG23 H 1 1.203 0.008 20 1 . . . . 113 T MG . 11073 1 1499 . 1 1 115 115 THR C C 13 173.264 0.009 2 1 . . . . 113 T C . 11073 1 1500 . 1 1 115 115 THR CA C 13 59.747 0.060 26 1 . . . . 113 T CA . 11073 1 1501 . 1 1 115 115 THR CB C 13 71.374 0.036 19 1 . . . . 113 T CB . 11073 1 1502 . 1 1 115 115 THR CG2 C 13 20.910 0.076 21 1 . . . . 113 T CG2 . 11073 1 1503 . 1 1 115 115 THR N N 15 114.718 0.041 26 1 . . . . 113 T N . 11073 1 1504 . 1 1 116 116 GLY H H 1 8.355 0.003 36 1 . . . . 114 G H . 11073 1 1505 . 1 1 116 116 GLY HA2 H 1 4.223 0.009 29 2 . . . . 114 G HA2 . 11073 1 1506 . 1 1 116 116 GLY HA3 H 1 4.015 0.011 22 2 . . . . 114 G HA3 . 11073 1 1507 . 1 1 116 116 GLY C C 13 170.545 0.014 3 1 . . . . 114 G C . 11073 1 1508 . 1 1 116 116 GLY CA C 13 46.613 0.085 44 1 . . . . 114 G CA . 11073 1 1509 . 1 1 116 116 GLY N N 15 108.351 0.032 33 1 . . . . 114 G N . 11073 1 1510 . 1 1 117 117 LEU H H 1 8.778 0.006 35 1 . . . . 115 L H . 11073 1 1511 . 1 1 117 117 LEU HA H 1 5.140 0.011 32 1 . . . . 115 L HA . 11073 1 1512 . 1 1 117 117 LEU HB2 H 1 1.797 0.006 38 2 . . . . 115 L HB2 . 11073 1 1513 . 1 1 117 117 LEU HB3 H 1 1.560 0.006 34 2 . . . . 115 L HB3 . 11073 1 1514 . 1 1 117 117 LEU HD11 H 1 0.892 0.009 22 2 . . . . 115 L MD1 . 11073 1 1515 . 1 1 117 117 LEU HD12 H 1 0.892 0.009 22 2 . . . . 115 L MD1 . 11073 1 1516 . 1 1 117 117 LEU HD13 H 1 0.892 0.009 22 2 . . . . 115 L MD1 . 11073 1 1517 . 1 1 117 117 LEU HD21 H 1 0.954 0.008 39 2 . . . . 115 L MD2 . 11073 1 1518 . 1 1 117 117 LEU HD22 H 1 0.954 0.008 39 2 . . . . 115 L MD2 . 11073 1 1519 . 1 1 117 117 LEU HD23 H 1 0.954 0.008 39 2 . . . . 115 L MD2 . 11073 1 1520 . 1 1 117 117 LEU HG H 1 1.663 0.011 22 1 . . . . 115 L HG . 11073 1 1521 . 1 1 117 117 LEU C C 13 174.624 0.044 2 1 . . . . 115 L C . 11073 1 1522 . 1 1 117 117 LEU CA C 13 54.006 0.103 29 1 . . . . 115 L CA . 11073 1 1523 . 1 1 117 117 LEU CB C 13 46.005 0.076 59 1 . . . . 115 L CB . 11073 1 1524 . 1 1 117 117 LEU CD1 C 13 24.940 0.089 28 2 . . . . 115 L CD1 . 11073 1 1525 . 1 1 117 117 LEU CD2 C 13 24.229 0.085 28 2 . . . . 115 L CD2 . 11073 1 1526 . 1 1 117 117 LEU CG C 13 27.171 0.104 19 1 . . . . 115 L CG . 11073 1 1527 . 1 1 117 117 LEU N N 15 127.462 0.033 31 1 . . . . 115 L N . 11073 1 1528 . 1 1 118 118 TYR H H 1 9.165 0.005 42 1 . . . . 116 Y H . 11073 1 1529 . 1 1 118 118 TYR HA H 1 4.954 0.009 21 1 . . . . 116 Y HA . 11073 1 1530 . 1 1 118 118 TYR HB2 H 1 2.892 0.012 9 2 . . . . 116 Y HB2 . 11073 1 1531 . 1 1 118 118 TYR HB3 H 1 2.724 0.012 10 2 . . . . 116 Y HB3 . 11073 1 1532 . 1 1 118 118 TYR HD1 H 1 6.737 0.013 31 3 . . . . 116 Y QD . 11073 1 1533 . 1 1 118 118 TYR HD2 H 1 6.737 0.013 31 3 . . . . 116 Y QD . 11073 1 1534 . 1 1 118 118 TYR HE1 H 1 6.377 0.007 54 3 . . . . 116 Y QE . 11073 1 1535 . 1 1 118 118 TYR HE2 H 1 6.377 0.007 54 3 . . . . 116 Y QE . 11073 1 1536 . 1 1 118 118 TYR C C 13 172.692 0.006 2 1 . . . . 116 Y C . 11073 1 1537 . 1 1 118 118 TYR CA C 13 56.530 0.075 25 1 . . . . 116 Y CA . 11073 1 1538 . 1 1 118 118 TYR CB C 13 42.635 0.112 19 1 . . . . 116 Y CB . 11073 1 1539 . 1 1 118 118 TYR CD1 C 13 132.855 0.135 34 3 . . . . 116 Y CD1 . 11073 1 1540 . 1 1 118 118 TYR CD2 C 13 132.855 0.135 34 3 . . . . 116 Y CD2 . 11073 1 1541 . 1 1 118 118 TYR CE1 C 13 118.085 0.079 44 3 . . . . 116 Y CE1 . 11073 1 1542 . 1 1 118 118 TYR CE2 C 13 118.085 0.079 44 3 . . . . 116 Y CE2 . 11073 1 1543 . 1 1 118 118 TYR N N 15 127.440 0.039 38 1 . . . . 116 Y N . 11073 1 1544 . 1 1 119 119 THR H H 1 7.768 0.005 33 1 . . . . 117 T H . 11073 1 1545 . 1 1 119 119 THR HA H 1 5.293 0.014 28 1 . . . . 117 T HA . 11073 1 1546 . 1 1 119 119 THR HB H 1 3.911 0.004 15 1 . . . . 117 T HB . 11073 1 1547 . 1 1 119 119 THR HG21 H 1 1.077 0.008 17 1 . . . . 117 T MG . 11073 1 1548 . 1 1 119 119 THR HG22 H 1 1.077 0.008 17 1 . . . . 117 T MG . 11073 1 1549 . 1 1 119 119 THR HG23 H 1 1.077 0.008 17 1 . . . . 117 T MG . 11073 1 1550 . 1 1 119 119 THR C C 13 172.082 0.018 2 1 . . . . 117 T C . 11073 1 1551 . 1 1 119 119 THR CA C 13 60.426 0.109 26 1 . . . . 117 T CA . 11073 1 1552 . 1 1 119 119 THR CB C 13 70.939 0.074 18 1 . . . . 117 T CB . 11073 1 1553 . 1 1 119 119 THR CG2 C 13 20.769 0.063 19 1 . . . . 117 T CG2 . 11073 1 1554 . 1 1 119 119 THR N N 15 121.696 0.043 30 1 . . . . 117 T N . 11073 1 1555 . 1 1 120 120 ALA H H 1 9.155 0.006 34 1 . . . . 118 A H . 11073 1 1556 . 1 1 120 120 ALA HA H 1 5.219 0.009 29 1 . . . . 118 A HA . 11073 1 1557 . 1 1 120 120 ALA HB1 H 1 0.977 0.011 35 1 . . . . 118 A MB . 11073 1 1558 . 1 1 120 120 ALA HB2 H 1 0.977 0.011 35 1 . . . . 118 A MB . 11073 1 1559 . 1 1 120 120 ALA HB3 H 1 0.977 0.011 35 1 . . . . 118 A MB . 11073 1 1560 . 1 1 120 120 ALA C C 13 174.890 0.007 2 1 . . . . 118 A C . 11073 1 1561 . 1 1 120 120 ALA CA C 13 50.332 0.083 35 1 . . . . 118 A CA . 11073 1 1562 . 1 1 120 120 ALA CB C 13 23.659 0.120 37 1 . . . . 118 A CB . 11073 1 1563 . 1 1 120 120 ALA N N 15 125.081 0.078 29 1 . . . . 118 A N . 11073 1 1564 . 1 1 121 121 ASP H H 1 8.220 0.005 40 1 . . . . 119 D H . 11073 1 1565 . 1 1 121 121 ASP HA H 1 5.938 0.012 31 1 . . . . 119 D HA . 11073 1 1566 . 1 1 121 121 ASP HB2 H 1 2.465 0.007 17 2 . . . . 119 D HB2 . 11073 1 1567 . 1 1 121 121 ASP HB3 H 1 2.734 0.006 16 2 . . . . 119 D HB3 . 11073 1 1568 . 1 1 121 121 ASP C C 13 175.528 0.038 2 1 . . . . 119 D C . 11073 1 1569 . 1 1 121 121 ASP CA C 13 53.533 0.104 32 1 . . . . 119 D CA . 11073 1 1570 . 1 1 121 121 ASP CB C 13 44.633 0.054 33 1 . . . . 119 D CB . 11073 1 1571 . 1 1 121 121 ASP CG C 13 180.899 0.018 2 1 . . . . 119 D CG . 11073 1 1572 . 1 1 121 121 ASP N N 15 120.196 0.058 37 1 . . . . 119 D N . 11073 1 1573 . 1 1 122 122 THR H H 1 8.553 0.002 48 1 . . . . 120 T H . 11073 1 1574 . 1 1 122 122 THR HA H 1 4.737 0.005 24 1 . . . . 120 T HA . 11073 1 1575 . 1 1 122 122 THR HB H 1 3.919 0.010 30 1 . . . . 120 T HB . 11073 1 1576 . 1 1 122 122 THR HG21 H 1 1.000 0.007 48 1 . . . . 120 T MG . 11073 1 1577 . 1 1 122 122 THR HG22 H 1 1.000 0.007 48 1 . . . . 120 T MG . 11073 1 1578 . 1 1 122 122 THR HG23 H 1 1.000 0.007 48 1 . . . . 120 T MG . 11073 1 1579 . 1 1 122 122 THR C C 13 170.224 0.011 2 1 . . . . 120 T C . 11073 1 1580 . 1 1 122 122 THR CA C 13 60.325 0.079 32 1 . . . . 120 T CA . 11073 1 1581 . 1 1 122 122 THR CB C 13 69.512 0.092 31 1 . . . . 120 T CB . 11073 1 1582 . 1 1 122 122 THR CG2 C 13 18.768 0.098 48 1 . . . . 120 T CG2 . 11073 1 1583 . 1 1 122 122 THR N N 15 116.667 0.042 45 1 . . . . 120 T N . 11073 1 1584 . 1 1 123 123 ASN H H 1 8.304 0.003 39 1 . . . . 121 N H . 11073 1 1585 . 1 1 123 123 ASN HA H 1 5.623 0.009 31 1 . . . . 121 N HA . 11073 1 1586 . 1 1 123 123 ASN HB2 H 1 2.665 0.009 12 2 . . . . 121 N HB2 . 11073 1 1587 . 1 1 123 123 ASN HB3 H 1 2.604 0.006 9 2 . . . . 121 N HB3 . 11073 1 1588 . 1 1 123 123 ASN HD21 H 1 7.669 0.003 19 2 . . . . 121 N HD21 . 11073 1 1589 . 1 1 123 123 ASN HD22 H 1 6.285 0.004 25 2 . . . . 121 N HD22 . 11073 1 1590 . 1 1 123 123 ASN C C 13 173.822 0.007 2 1 . . . . 121 N C . 11073 1 1591 . 1 1 123 123 ASN CA C 13 52.571 0.100 32 1 . . . . 121 N CA . 11073 1 1592 . 1 1 123 123 ASN CB C 13 40.735 0.082 25 1 . . . . 121 N CB . 11073 1 1593 . 1 1 123 123 ASN CG C 13 176.592 0.005 2 1 . . . . 121 N CG . 11073 1 1594 . 1 1 123 123 ASN N N 15 124.762 0.052 35 1 . . . . 121 N N . 11073 1 1595 . 1 1 123 123 ASN ND2 N 15 111.653 0.055 40 1 . . . . 121 N ND2 . 11073 1 1596 . 1 1 124 124 VAL H H 1 8.958 0.005 40 1 . . . . 122 V H . 11073 1 1597 . 1 1 124 124 VAL HA H 1 4.850 0.009 24 1 . . . . 122 V HA . 11073 1 1598 . 1 1 124 124 VAL HB H 1 2.134 0.008 21 1 . . . . 122 V HB . 11073 1 1599 . 1 1 124 124 VAL HG11 H 1 1.001 0.009 63 2 . . . . 122 V MG1 . 11073 1 1600 . 1 1 124 124 VAL HG12 H 1 1.001 0.009 63 2 . . . . 122 V MG1 . 11073 1 1601 . 1 1 124 124 VAL HG13 H 1 1.001 0.009 63 2 . . . . 122 V MG1 . 11073 1 1602 . 1 1 124 124 VAL HG21 H 1 1.001 0.009 63 2 . . . . 122 V MG2 . 11073 1 1603 . 1 1 124 124 VAL HG22 H 1 1.001 0.009 63 2 . . . . 122 V MG2 . 11073 1 1604 . 1 1 124 124 VAL HG23 H 1 1.001 0.009 63 2 . . . . 122 V MG2 . 11073 1 1605 . 1 1 124 124 VAL C C 13 174.966 0.021 2 1 . . . . 122 V C . 11073 1 1606 . 1 1 124 124 VAL CA C 13 59.551 0.065 23 1 . . . . 122 V CA . 11073 1 1607 . 1 1 124 124 VAL CB C 13 35.203 0.098 19 1 . . . . 122 V CB . 11073 1 1608 . 1 1 124 124 VAL CG1 C 13 21.157 0.100 71 2 . . . . 122 V CG1 . 11073 1 1609 . 1 1 124 124 VAL CG2 C 13 21.157 0.100 71 2 . . . . 122 V CG2 . 11073 1 1610 . 1 1 124 124 VAL N N 15 120.879 0.039 35 1 . . . . 122 V N . 11073 1 1611 . 1 1 125 125 ILE H H 1 8.501 0.005 38 1 . . . . 123 I H . 11073 1 1612 . 1 1 125 125 ILE HA H 1 5.121 0.008 27 1 . . . . 123 I HA . 11073 1 1613 . 1 1 125 125 ILE HB H 1 1.588 0.011 22 1 . . . . 123 I HB . 11073 1 1614 . 1 1 125 125 ILE HD11 H 1 0.845 0.009 30 1 . . . . 123 I MD . 11073 1 1615 . 1 1 125 125 ILE HD12 H 1 0.845 0.009 30 1 . . . . 123 I MD . 11073 1 1616 . 1 1 125 125 ILE HD13 H 1 0.845 0.009 30 1 . . . . 123 I MD . 11073 1 1617 . 1 1 125 125 ILE HG12 H 1 1.700 0.014 16 2 . . . . 123 I QG . 11073 1 1618 . 1 1 125 125 ILE HG13 H 1 1.700 0.014 16 2 . . . . 123 I QG . 11073 1 1619 . 1 1 125 125 ILE HG21 H 1 0.706 0.011 37 1 . . . . 123 I MG . 11073 1 1620 . 1 1 125 125 ILE HG22 H 1 0.706 0.011 37 1 . . . . 123 I MG . 11073 1 1621 . 1 1 125 125 ILE HG23 H 1 0.706 0.011 37 1 . . . . 123 I MG . 11073 1 1622 . 1 1 125 125 ILE C C 13 175.346 0.016 2 1 . . . . 123 I C . 11073 1 1623 . 1 1 125 125 ILE CA C 13 60.885 0.104 24 1 . . . . 123 I CA . 11073 1 1624 . 1 1 125 125 ILE CB C 13 39.112 0.126 19 1 . . . . 123 I CB . 11073 1 1625 . 1 1 125 125 ILE CD1 C 13 12.878 0.096 38 1 . . . . 123 I CD1 . 11073 1 1626 . 1 1 125 125 ILE CG1 C 13 26.981 0.096 13 1 . . . . 123 I CG1 . 11073 1 1627 . 1 1 125 125 ILE CG2 C 13 16.785 0.117 44 1 . . . . 123 I CG2 . 11073 1 1628 . 1 1 125 125 ILE N N 15 122.415 0.056 34 1 . . . . 123 I N . 11073 1 1629 . 1 1 126 126 GLY H H 1 8.762 0.005 46 1 . . . . 124 G H . 11073 1 1630 . 1 1 126 126 GLY HA2 H 1 4.418 0.010 13 2 . . . . 124 G HA2 . 11073 1 1631 . 1 1 126 126 GLY HA3 H 1 2.996 0.010 10 2 . . . . 124 G HA3 . 11073 1 1632 . 1 1 126 126 GLY C C 13 170.033 0.039 3 1 . . . . 124 G C . 11073 1 1633 . 1 1 126 126 GLY CA C 13 43.492 0.083 20 1 . . . . 124 G CA . 11073 1 1634 . 1 1 126 126 GLY N N 15 116.010 0.040 43 1 . . . . 124 G N . 11073 1 1635 . 1 1 127 127 ALA H H 1 7.789 0.006 38 1 . . . . 125 A H . 11073 1 1636 . 1 1 127 127 ALA HA H 1 5.462 0.010 30 1 . . . . 125 A HA . 11073 1 1637 . 1 1 127 127 ALA HB1 H 1 1.130 0.006 37 1 . . . . 125 A MB . 11073 1 1638 . 1 1 127 127 ALA HB2 H 1 1.130 0.006 37 1 . . . . 125 A MB . 11073 1 1639 . 1 1 127 127 ALA HB3 H 1 1.130 0.006 37 1 . . . . 125 A MB . 11073 1 1640 . 1 1 127 127 ALA C C 13 175.858 0.049 2 1 . . . . 125 A C . 11073 1 1641 . 1 1 127 127 ALA CA C 13 49.544 0.123 30 1 . . . . 125 A CA . 11073 1 1642 . 1 1 127 127 ALA CB C 13 22.360 0.069 43 1 . . . . 125 A CB . 11073 1 1643 . 1 1 127 127 ALA N N 15 122.718 0.035 34 1 . . . . 125 A N . 11073 1 1644 . 1 1 128 128 VAL H H 1 9.348 0.004 32 1 . . . . 126 V H . 11073 1 1645 . 1 1 128 128 VAL HA H 1 5.477 0.007 21 1 . . . . 126 V HA . 11073 1 1646 . 1 1 128 128 VAL HB H 1 2.133 0.011 31 1 . . . . 126 V HB . 11073 1 1647 . 1 1 128 128 VAL HG11 H 1 1.281 0.006 34 2 . . . . 126 V MG1 . 11073 1 1648 . 1 1 128 128 VAL HG12 H 1 1.281 0.006 34 2 . . . . 126 V MG1 . 11073 1 1649 . 1 1 128 128 VAL HG13 H 1 1.281 0.006 34 2 . . . . 126 V MG1 . 11073 1 1650 . 1 1 128 128 VAL HG21 H 1 1.236 0.009 48 2 . . . . 126 V MG2 . 11073 1 1651 . 1 1 128 128 VAL HG22 H 1 1.236 0.009 48 2 . . . . 126 V MG2 . 11073 1 1652 . 1 1 128 128 VAL HG23 H 1 1.236 0.009 48 2 . . . . 126 V MG2 . 11073 1 1653 . 1 1 128 128 VAL C C 13 173.469 0.024 2 1 . . . . 126 V C . 11073 1 1654 . 1 1 128 128 VAL CA C 13 58.564 0.103 23 1 . . . . 126 V CA . 11073 1 1655 . 1 1 128 128 VAL CB C 13 35.741 0.099 22 1 . . . . 126 V CB . 11073 1 1656 . 1 1 128 128 VAL CG1 C 13 23.478 0.096 45 2 . . . . 126 V CG1 . 11073 1 1657 . 1 1 128 128 VAL CG2 C 13 19.567 0.124 46 2 . . . . 126 V CG2 . 11073 1 1658 . 1 1 128 128 VAL N N 15 115.659 0.035 29 1 . . . . 126 V N . 11073 1 1659 . 1 1 129 129 ARG H H 1 8.210 0.004 30 1 . . . . 127 R H . 11073 1 1660 . 1 1 129 129 ARG HA H 1 5.494 0.010 42 1 . . . . 127 R HA . 11073 1 1661 . 1 1 129 129 ARG HB2 H 1 1.712 0.007 20 2 . . . . 127 R HB2 . 11073 1 1662 . 1 1 129 129 ARG HB3 H 1 1.512 0.009 29 2 . . . . 127 R HB3 . 11073 1 1663 . 1 1 129 129 ARG HD2 H 1 3.035 . 1 2 . . . . 127 R HD2 . 11073 1 1664 . 1 1 129 129 ARG HD3 H 1 3.007 . 1 2 . . . . 127 R HD3 . 11073 1 1665 . 1 1 129 129 ARG HE H 1 7.222 0.001 3 1 . . . . 127 R HE . 11073 1 1666 . 1 1 129 129 ARG HG2 H 1 1.540 0.007 14 2 . . . . 127 R HG2 . 11073 1 1667 . 1 1 129 129 ARG HG3 H 1 1.478 0.009 11 2 . . . . 127 R HG3 . 11073 1 1668 . 1 1 129 129 ARG C C 13 175.762 0.024 2 1 . . . . 127 R C . 11073 1 1669 . 1 1 129 129 ARG CA C 13 53.566 0.124 39 1 . . . . 127 R CA . 11073 1 1670 . 1 1 129 129 ARG CB C 13 33.746 0.078 38 1 . . . . 127 R CB . 11073 1 1671 . 1 1 129 129 ARG CD C 13 43.076 0.089 20 1 . . . . 127 R CD . 11073 1 1672 . 1 1 129 129 ARG CG C 13 28.408 0.122 21 1 . . . . 127 R CG . 11073 1 1673 . 1 1 129 129 ARG N N 15 121.768 0.033 28 1 . . . . 127 R N . 11073 1 1674 . 1 1 129 129 ARG NE N 15 85.480 0.037 3 1 . . . . 127 R NE . 11073 1 1675 . 1 1 130 130 TYR H H 1 8.278 0.005 42 1 . . . . 128 Y H . 11073 1 1676 . 1 1 130 130 TYR HA H 1 4.868 0.009 16 1 . . . . 128 Y HA . 11073 1 1677 . 1 1 130 130 TYR HB2 H 1 3.149 0.012 10 2 . . . . 128 Y HB2 . 11073 1 1678 . 1 1 130 130 TYR HB3 H 1 2.930 0.008 3 2 . . . . 128 Y HB3 . 11073 1 1679 . 1 1 130 130 TYR HD1 H 1 6.735 0.010 39 3 . . . . 128 Y QD . 11073 1 1680 . 1 1 130 130 TYR HD2 H 1 6.735 0.010 39 3 . . . . 128 Y QD . 11073 1 1681 . 1 1 130 130 TYR HE1 H 1 6.371 0.009 33 3 . . . . 128 Y QE . 11073 1 1682 . 1 1 130 130 TYR HE2 H 1 6.371 0.009 33 3 . . . . 128 Y QE . 11073 1 1683 . 1 1 130 130 TYR C C 13 173.786 0.006 2 1 . . . . 128 Y C . 11073 1 1684 . 1 1 130 130 TYR CA C 13 55.812 0.098 17 1 . . . . 128 Y CA . 11073 1 1685 . 1 1 130 130 TYR CB C 13 39.724 0.115 15 1 . . . . 128 Y CB . 11073 1 1686 . 1 1 130 130 TYR CD1 C 13 134.164 0.091 41 3 . . . . 128 Y CD1 . 11073 1 1687 . 1 1 130 130 TYR CD2 C 13 134.164 0.091 41 3 . . . . 128 Y CD2 . 11073 1 1688 . 1 1 130 130 TYR CE1 C 13 116.161 0.137 32 3 . . . . 128 Y CE1 . 11073 1 1689 . 1 1 130 130 TYR CE2 C 13 116.161 0.137 32 3 . . . . 128 Y CE2 . 11073 1 1690 . 1 1 130 130 TYR N N 15 118.145 0.057 41 1 . . . . 128 Y N . 11073 1 1691 . 1 1 131 131 GLY H H 1 8.661 0.003 30 1 . . . . 129 G H . 11073 1 1692 . 1 1 131 131 GLY HA2 H 1 5.164 0.007 21 2 . . . . 129 G HA2 . 11073 1 1693 . 1 1 131 131 GLY HA3 H 1 3.750 0.007 22 2 . . . . 129 G HA3 . 11073 1 1694 . 1 1 131 131 GLY C C 13 173.009 0.005 3 1 . . . . 129 G C . 11073 1 1695 . 1 1 131 131 GLY CA C 13 43.039 0.065 38 1 . . . . 129 G CA . 11073 1 1696 . 1 1 131 131 GLY N N 15 107.138 0.028 28 1 . . . . 129 G N . 11073 1 1697 . 1 1 132 132 TYR H H 1 7.726 0.004 43 1 . . . . 130 Y H . 11073 1 1698 . 1 1 132 132 TYR HA H 1 5.855 0.006 21 1 . . . . 130 Y HA . 11073 1 1699 . 1 1 132 132 TYR HB2 H 1 3.109 0.007 12 2 . . . . 130 Y HB2 . 11073 1 1700 . 1 1 132 132 TYR HB3 H 1 2.677 0.012 8 2 . . . . 130 Y HB3 . 11073 1 1701 . 1 1 132 132 TYR HD1 H 1 6.606 0.014 36 3 . . . . 130 Y QD . 11073 1 1702 . 1 1 132 132 TYR HD2 H 1 6.606 0.014 36 3 . . . . 130 Y QD . 11073 1 1703 . 1 1 132 132 TYR HE1 H 1 6.443 0.010 30 3 . . . . 130 Y QE . 11073 1 1704 . 1 1 132 132 TYR HE2 H 1 6.443 0.010 30 3 . . . . 130 Y QE . 11073 1 1705 . 1 1 132 132 TYR C C 13 172.693 0.011 2 1 . . . . 130 Y C . 11073 1 1706 . 1 1 132 132 TYR CA C 13 55.877 0.093 26 1 . . . . 130 Y CA . 11073 1 1707 . 1 1 132 132 TYR CB C 13 41.857 0.128 23 1 . . . . 130 Y CB . 11073 1 1708 . 1 1 132 132 TYR CD1 C 13 133.130 0.093 36 3 . . . . 130 Y CD1 . 11073 1 1709 . 1 1 132 132 TYR CD2 C 13 133.130 0.093 36 3 . . . . 130 Y CD2 . 11073 1 1710 . 1 1 132 132 TYR CE1 C 13 117.283 0.164 26 3 . . . . 130 Y CE1 . 11073 1 1711 . 1 1 132 132 TYR CE2 C 13 117.283 0.164 26 3 . . . . 130 Y CE2 . 11073 1 1712 . 1 1 132 132 TYR N N 15 113.287 0.046 38 1 . . . . 130 Y N . 11073 1 1713 . 1 1 133 133 ASN H H 1 8.551 0.007 44 1 . . . . 131 N H . 11073 1 1714 . 1 1 133 133 ASN HA H 1 5.051 0.007 33 1 . . . . 131 N HA . 11073 1 1715 . 1 1 133 133 ASN HB2 H 1 2.789 0.003 7 2 . . . . 131 N HB2 . 11073 1 1716 . 1 1 133 133 ASN HB3 H 1 2.747 0.006 6 2 . . . . 131 N HB3 . 11073 1 1717 . 1 1 133 133 ASN HD21 H 1 7.724 0.005 21 2 . . . . 131 N HD21 . 11073 1 1718 . 1 1 133 133 ASN HD22 H 1 7.033 0.003 24 2 . . . . 131 N HD22 . 11073 1 1719 . 1 1 133 133 ASN C C 13 174.063 0.020 2 1 . . . . 131 N C . 11073 1 1720 . 1 1 133 133 ASN CA C 13 51.223 0.066 30 1 . . . . 131 N CA . 11073 1 1721 . 1 1 133 133 ASN CB C 13 42.052 0.074 27 1 . . . . 131 N CB . 11073 1 1722 . 1 1 133 133 ASN CG C 13 175.980 . 1 1 . . . . 131 N CG . 11073 1 1723 . 1 1 133 133 ASN N N 15 114.515 0.037 39 1 . . . . 131 N N . 11073 1 1724 . 1 1 133 133 ASN ND2 N 15 113.764 0.055 37 1 . . . . 131 N ND2 . 11073 1 1725 . 1 1 134 134 LEU H H 1 8.801 0.005 29 1 . . . . 132 L H . 11073 1 1726 . 1 1 134 134 LEU HA H 1 5.159 0.009 38 1 . . . . 132 L HA . 11073 1 1727 . 1 1 134 134 LEU HB2 H 1 1.656 0.007 19 2 . . . . 132 L HB2 . 11073 1 1728 . 1 1 134 134 LEU HB3 H 1 1.263 0.009 31 2 . . . . 132 L HB3 . 11073 1 1729 . 1 1 134 134 LEU HD11 H 1 0.749 0.008 30 2 . . . . 132 L MD1 . 11073 1 1730 . 1 1 134 134 LEU HD12 H 1 0.749 0.008 30 2 . . . . 132 L MD1 . 11073 1 1731 . 1 1 134 134 LEU HD13 H 1 0.749 0.008 30 2 . . . . 132 L MD1 . 11073 1 1732 . 1 1 134 134 LEU HD21 H 1 0.330 0.007 77 2 . . . . 132 L MD2 . 11073 1 1733 . 1 1 134 134 LEU HD22 H 1 0.330 0.007 77 2 . . . . 132 L MD2 . 11073 1 1734 . 1 1 134 134 LEU HD23 H 1 0.330 0.007 77 2 . . . . 132 L MD2 . 11073 1 1735 . 1 1 134 134 LEU HG H 1 1.469 0.011 18 1 . . . . 132 L HG . 11073 1 1736 . 1 1 134 134 LEU C C 13 175.499 0.001 2 1 . . . . 132 L C . 11073 1 1737 . 1 1 134 134 LEU CA C 13 54.001 0.093 31 1 . . . . 132 L CA . 11073 1 1738 . 1 1 134 134 LEU CB C 13 43.313 0.088 38 1 . . . . 132 L CB . 11073 1 1739 . 1 1 134 134 LEU CD1 C 13 24.922 0.090 29 2 . . . . 132 L CD1 . 11073 1 1740 . 1 1 134 134 LEU CD2 C 13 23.863 0.070 62 2 . . . . 132 L CD2 . 11073 1 1741 . 1 1 134 134 LEU CG C 13 27.199 0.100 21 1 . . . . 132 L CG . 11073 1 1742 . 1 1 134 134 LEU N N 15 123.944 0.059 25 1 . . . . 132 L N . 11073 1 1743 . 1 1 135 135 LYS H H 1 8.815 0.005 37 1 . . . . 133 K H . 11073 1 1744 . 1 1 135 135 LYS HA H 1 4.660 0.004 22 1 . . . . 133 K HA . 11073 1 1745 . 1 1 135 135 LYS HB2 H 1 1.744 0.007 15 2 . . . . 133 K HB2 . 11073 1 1746 . 1 1 135 135 LYS HB3 H 1 1.642 0.011 14 2 . . . . 133 K HB3 . 11073 1 1747 . 1 1 135 135 LYS HD2 H 1 1.642 0.009 21 2 . . . . 133 K QD . 11073 1 1748 . 1 1 135 135 LYS HD3 H 1 1.642 0.009 21 2 . . . . 133 K QD . 11073 1 1749 . 1 1 135 135 LYS HE2 H 1 2.936 0.008 9 2 . . . . 133 K QE . 11073 1 1750 . 1 1 135 135 LYS HE3 H 1 2.936 0.008 9 2 . . . . 133 K QE . 11073 1 1751 . 1 1 135 135 LYS HG2 H 1 1.338 0.008 21 2 . . . . 133 K QG . 11073 1 1752 . 1 1 135 135 LYS HG3 H 1 1.338 0.008 21 2 . . . . 133 K QG . 11073 1 1753 . 1 1 135 135 LYS C C 13 175.105 0.028 2 1 . . . . 133 K C . 11073 1 1754 . 1 1 135 135 LYS CA C 13 54.413 0.056 21 1 . . . . 133 K CA . 11073 1 1755 . 1 1 135 135 LYS CB C 13 36.139 0.091 32 1 . . . . 133 K CB . 11073 1 1756 . 1 1 135 135 LYS CD C 13 28.822 0.154 16 1 . . . . 133 K CD . 11073 1 1757 . 1 1 135 135 LYS CG C 13 24.132 0.094 18 1 . . . . 133 K CG . 11073 1 1758 . 1 1 135 135 LYS N N 15 123.558 0.045 31 1 . . . . 133 K N . 11073 1 1759 . 1 1 136 136 ASN H H 1 8.892 0.006 23 1 . . . . 134 N H . 11073 1 1760 . 1 1 136 136 ASN HA H 1 5.316 0.009 30 1 . . . . 134 N HA . 11073 1 1761 . 1 1 136 136 ASN HB2 H 1 2.741 0.007 14 2 . . . . 134 N HB2 . 11073 1 1762 . 1 1 136 136 ASN HB3 H 1 2.587 0.007 18 2 . . . . 134 N HB3 . 11073 1 1763 . 1 1 136 136 ASN HD21 H 1 7.346 0.005 17 2 . . . . 134 N HD21 . 11073 1 1764 . 1 1 136 136 ASN HD22 H 1 6.658 0.003 12 2 . . . . 134 N HD22 . 11073 1 1765 . 1 1 136 136 ASN C C 13 176.103 0.001 2 1 . . . . 134 N C . 11073 1 1766 . 1 1 136 136 ASN CA C 13 52.148 0.115 25 1 . . . . 134 N CA . 11073 1 1767 . 1 1 136 136 ASN CB C 13 39.327 0.057 30 1 . . . . 134 N CB . 11073 1 1768 . 1 1 136 136 ASN CG C 13 175.414 0.010 2 1 . . . . 134 N CG . 11073 1 1769 . 1 1 136 136 ASN N N 15 124.474 0.052 20 1 . . . . 134 N N . 11073 1 1770 . 1 1 136 136 ASN ND2 N 15 110.135 0.041 24 1 . . . . 134 N ND2 . 11073 1 1771 . 1 1 137 137 ASP H H 1 8.570 0.005 46 1 . . . . 135 D H . 11073 1 1772 . 1 1 137 137 ASP HA H 1 4.795 0.009 22 1 . . . . 135 D HA . 11073 1 1773 . 1 1 137 137 ASP HB2 H 1 3.433 0.006 13 2 . . . . 135 D HB2 . 11073 1 1774 . 1 1 137 137 ASP HB3 H 1 2.781 0.013 12 2 . . . . 135 D HB3 . 11073 1 1775 . 1 1 137 137 ASP C C 13 177.745 0.001 2 1 . . . . 135 D C . 11073 1 1776 . 1 1 137 137 ASP CA C 13 52.348 0.125 21 1 . . . . 135 D CA . 11073 1 1777 . 1 1 137 137 ASP CB C 13 41.453 0.070 21 1 . . . . 135 D CB . 11073 1 1778 . 1 1 137 137 ASP CG C 13 179.673 . 1 1 . . . . 135 D CG . 11073 1 1779 . 1 1 137 137 ASP N N 15 121.696 0.023 41 1 . . . . 135 D N . 11073 1 1780 . 1 1 138 138 ASP H H 1 8.482 0.003 17 1 . . . . 136 D H . 11073 1 1781 . 1 1 138 138 ASP HA H 1 4.438 0.011 10 1 . . . . 136 D HA . 11073 1 1782 . 1 1 138 138 ASP HB2 H 1 2.771 0.002 4 2 . . . . 136 D HB2 . 11073 1 1783 . 1 1 138 138 ASP HB3 H 1 2.604 0.013 5 2 . . . . 136 D HB3 . 11073 1 1784 . 1 1 138 138 ASP C C 13 176.517 0.004 2 1 . . . . 136 D C . 11073 1 1785 . 1 1 138 138 ASP CA C 13 56.412 0.098 17 1 . . . . 136 D CA . 11073 1 1786 . 1 1 138 138 ASP CB C 13 40.153 0.072 9 1 . . . . 136 D CB . 11073 1 1787 . 1 1 138 138 ASP CG C 13 179.813 . 2 1 . . . . 136 D CG . 11073 1 1788 . 1 1 138 138 ASP N N 15 117.624 0.022 16 1 . . . . 136 D N . 11073 1 1789 . 1 1 139 139 ASN H H 1 8.440 0.006 26 1 . . . . 137 N H . 11073 1 1790 . 1 1 139 139 ASN HA H 1 4.921 0.005 19 1 . . . . 137 N HA . 11073 1 1791 . 1 1 139 139 ASN HB2 H 1 3.016 0.009 19 2 . . . . 137 N HB2 . 11073 1 1792 . 1 1 139 139 ASN HB3 H 1 2.839 0.008 13 2 . . . . 137 N HB3 . 11073 1 1793 . 1 1 139 139 ASN HD21 H 1 7.672 0.003 14 2 . . . . 137 N HD21 . 11073 1 1794 . 1 1 139 139 ASN HD22 H 1 6.890 0.004 16 2 . . . . 137 N HD22 . 11073 1 1795 . 1 1 139 139 ASN C C 13 175.322 0.009 2 1 . . . . 137 N C . 11073 1 1796 . 1 1 139 139 ASN CA C 13 52.559 0.116 17 1 . . . . 137 N CA . 11073 1 1797 . 1 1 139 139 ASN CB C 13 39.312 0.057 29 1 . . . . 137 N CB . 11073 1 1798 . 1 1 139 139 ASN CG C 13 177.327 . 2 1 . . . . 137 N CG . 11073 1 1799 . 1 1 139 139 ASN N N 15 116.696 0.060 21 1 . . . . 137 N N . 11073 1 1800 . 1 1 139 139 ASN ND2 N 15 113.498 0.044 25 1 . . . . 137 N ND2 . 11073 1 1801 . 1 1 140 140 GLY H H 1 8.159 0.003 28 1 . . . . 138 G H . 11073 1 1802 . 1 1 140 140 GLY HA2 H 1 3.646 0.009 17 2 . . . . 138 G HA2 . 11073 1 1803 . 1 1 140 140 GLY HA3 H 1 4.167 0.011 13 2 . . . . 138 G HA3 . 11073 1 1804 . 1 1 140 140 GLY C C 13 173.364 0.024 3 1 . . . . 138 G C . 11073 1 1805 . 1 1 140 140 GLY CA C 13 45.514 0.078 25 1 . . . . 138 G CA . 11073 1 1806 . 1 1 140 140 GLY N N 15 108.338 0.022 26 1 . . . . 138 G N . 11073 1 1807 . 1 1 141 141 VAL H H 1 8.109 0.004 36 1 . . . . 139 V H . 11073 1 1808 . 1 1 141 141 VAL HA H 1 3.914 0.007 21 1 . . . . 139 V HA . 11073 1 1809 . 1 1 141 141 VAL HB H 1 2.434 0.009 27 1 . . . . 139 V HB . 11073 1 1810 . 1 1 141 141 VAL HG11 H 1 0.704 0.009 31 2 . . . . 139 V MG1 . 11073 1 1811 . 1 1 141 141 VAL HG12 H 1 0.704 0.009 31 2 . . . . 139 V MG1 . 11073 1 1812 . 1 1 141 141 VAL HG13 H 1 0.704 0.009 31 2 . . . . 139 V MG1 . 11073 1 1813 . 1 1 141 141 VAL HG21 H 1 0.886 0.010 23 2 . . . . 139 V MG2 . 11073 1 1814 . 1 1 141 141 VAL HG22 H 1 0.886 0.010 23 2 . . . . 139 V MG2 . 11073 1 1815 . 1 1 141 141 VAL HG23 H 1 0.886 0.010 23 2 . . . . 139 V MG2 . 11073 1 1816 . 1 1 141 141 VAL C C 13 175.780 0.003 2 1 . . . . 139 V C . 11073 1 1817 . 1 1 141 141 VAL CA C 13 62.081 0.056 21 1 . . . . 139 V CA . 11073 1 1818 . 1 1 141 141 VAL CB C 13 31.624 0.065 23 1 . . . . 139 V CB . 11073 1 1819 . 1 1 141 141 VAL CG1 C 13 20.764 0.090 32 2 . . . . 139 V CG1 . 11073 1 1820 . 1 1 141 141 VAL CG2 C 13 21.434 0.066 18 2 . . . . 139 V CG2 . 11073 1 1821 . 1 1 141 141 VAL N N 15 123.253 0.037 32 1 . . . . 139 V N . 11073 1 1822 . 1 1 142 142 GLN H H 1 8.594 0.003 28 1 . . . . 140 Q H . 11073 1 1823 . 1 1 142 142 GLN HA H 1 4.656 0.007 36 1 . . . . 140 Q HA . 11073 1 1824 . 1 1 142 142 GLN HB2 H 1 1.793 0.004 20 2 . . . . 140 Q HB2 . 11073 1 1825 . 1 1 142 142 GLN HB3 H 1 1.945 0.010 16 2 . . . . 140 Q HB3 . 11073 1 1826 . 1 1 142 142 GLN HE21 H 1 7.527 0.002 18 2 . . . . 140 Q HE21 . 11073 1 1827 . 1 1 142 142 GLN HE22 H 1 6.730 0.002 19 2 . . . . 140 Q HE22 . 11073 1 1828 . 1 1 142 142 GLN HG2 H 1 2.207 0.008 26 2 . . . . 140 Q HG2 . 11073 1 1829 . 1 1 142 142 GLN HG3 H 1 1.884 0.012 24 2 . . . . 140 Q HG3 . 11073 1 1830 . 1 1 142 142 GLN C C 13 175.942 0.019 2 1 . . . . 140 Q C . 11073 1 1831 . 1 1 142 142 GLN CA C 13 56.243 0.101 31 1 . . . . 140 Q CA . 11073 1 1832 . 1 1 142 142 GLN CB C 13 30.680 0.096 34 1 . . . . 140 Q CB . 11073 1 1833 . 1 1 142 142 GLN CD C 13 179.111 0.006 2 1 . . . . 140 Q CD . 11073 1 1834 . 1 1 142 142 GLN CG C 13 34.995 0.126 49 1 . . . . 140 Q CG . 11073 1 1835 . 1 1 142 142 GLN N N 15 127.502 0.054 26 1 . . . . 140 Q N . 11073 1 1836 . 1 1 142 142 GLN NE2 N 15 111.806 0.060 33 1 . . . . 140 Q NE2 . 11073 1 1837 . 1 1 143 143 HIS H H 1 9.094 0.005 44 1 . . . . 141 H H . 11073 1 1838 . 1 1 143 143 HIS HA H 1 4.933 0.007 28 1 . . . . 141 H HA . 11073 1 1839 . 1 1 143 143 HIS HB2 H 1 3.604 0.011 18 2 . . . . 141 H HB2 . 11073 1 1840 . 1 1 143 143 HIS HB3 H 1 2.957 0.007 18 2 . . . . 141 H HB3 . 11073 1 1841 . 1 1 143 143 HIS HD2 H 1 7.370 0.006 23 1 . . . . 141 H HD2 . 11073 1 1842 . 1 1 143 143 HIS HE1 H 1 8.134 0.010 10 1 . . . . 141 H HE1 . 11073 1 1843 . 1 1 143 143 HIS C C 13 174.692 0.005 2 1 . . . . 141 H C . 11073 1 1844 . 1 1 143 143 HIS CA C 13 54.609 0.086 27 1 . . . . 141 H CA . 11073 1 1845 . 1 1 143 143 HIS CB C 13 31.596 0.061 27 1 . . . . 141 H CB . 11073 1 1846 . 1 1 143 143 HIS CD2 C 13 121.505 0.115 22 1 . . . . 141 H CD2 . 11073 1 1847 . 1 1 143 143 HIS CE1 C 13 134.774 0.106 12 1 . . . . 141 H CE1 . 11073 1 1848 . 1 1 143 143 HIS N N 15 121.877 0.054 40 1 . . . . 141 H N . 11073 1 1849 . 1 1 144 144 PHE H H 1 9.438 0.005 29 1 . . . . 142 F H . 11073 1 1850 . 1 1 144 144 PHE HA H 1 4.953 0.011 30 1 . . . . 142 F HA . 11073 1 1851 . 1 1 144 144 PHE HB2 H 1 2.672 0.012 10 2 . . . . 142 F HB2 . 11073 1 1852 . 1 1 144 144 PHE HB3 H 1 2.536 0.013 7 2 . . . . 142 F HB3 . 11073 1 1853 . 1 1 144 144 PHE HD1 H 1 6.862 0.012 24 3 . . . . 142 F QD . 11073 1 1854 . 1 1 144 144 PHE HD2 H 1 6.862 0.012 24 3 . . . . 142 F QD . 11073 1 1855 . 1 1 144 144 PHE HE1 H 1 6.988 0.013 24 3 . . . . 142 F QE . 11073 1 1856 . 1 1 144 144 PHE HE2 H 1 6.988 0.013 24 3 . . . . 142 F QE . 11073 1 1857 . 1 1 144 144 PHE HZ H 1 7.153 0.010 21 1 . . . . 142 F HZ . 11073 1 1858 . 1 1 144 144 PHE C C 13 175.582 0.006 2 1 . . . . 142 F C . 11073 1 1859 . 1 1 144 144 PHE CA C 13 59.012 0.118 34 1 . . . . 142 F CA . 11073 1 1860 . 1 1 144 144 PHE CB C 13 40.640 0.124 12 1 . . . . 142 F CB . 11073 1 1861 . 1 1 144 144 PHE CD1 C 13 131.910 0.142 23 3 . . . . 142 F CD1 . 11073 1 1862 . 1 1 144 144 PHE CD2 C 13 131.910 0.142 23 3 . . . . 142 F CD2 . 11073 1 1863 . 1 1 144 144 PHE CE1 C 13 130.835 0.141 31 3 . . . . 142 F CE1 . 11073 1 1864 . 1 1 144 144 PHE CE2 C 13 130.835 0.141 31 3 . . . . 142 F CE2 . 11073 1 1865 . 1 1 144 144 PHE CZ C 13 129.195 0.148 21 1 . . . . 142 F CZ . 11073 1 1866 . 1 1 144 144 PHE N N 15 119.369 0.052 27 1 . . . . 142 F N . 11073 1 1867 . 1 1 145 145 GLU H H 1 9.294 0.006 48 1 . . . . 143 E H . 11073 1 1868 . 1 1 145 145 GLU HA H 1 4.574 0.008 21 1 . . . . 143 E HA . 11073 1 1869 . 1 1 145 145 GLU HB2 H 1 2.036 0.014 13 2 . . . . 143 E HB2 . 11073 1 1870 . 1 1 145 145 GLU HB3 H 1 1.851 0.006 11 2 . . . . 143 E HB3 . 11073 1 1871 . 1 1 145 145 GLU HG2 H 1 2.146 0.007 17 2 . . . . 143 E HG2 . 11073 1 1872 . 1 1 145 145 GLU HG3 H 1 1.968 0.009 14 2 . . . . 143 E HG3 . 11073 1 1873 . 1 1 145 145 GLU C C 13 175.667 0.003 2 1 . . . . 143 E C . 11073 1 1874 . 1 1 145 145 GLU CA C 13 55.042 0.088 19 1 . . . . 143 E CA . 11073 1 1875 . 1 1 145 145 GLU CB C 13 31.301 0.111 26 1 . . . . 143 E CB . 11073 1 1876 . 1 1 145 145 GLU CD C 13 183.039 0.001 2 1 . . . . 143 E CD . 11073 1 1877 . 1 1 145 145 GLU CG C 13 36.288 0.089 33 1 . . . . 143 E CG . 11073 1 1878 . 1 1 145 145 GLU N N 15 123.362 0.040 45 1 . . . . 143 E N . 11073 1 1879 . 1 1 146 146 VAL H H 1 8.260 0.005 29 1 . . . . 144 V H . 11073 1 1880 . 1 1 146 146 VAL HA H 1 3.988 0.012 26 1 . . . . 144 V HA . 11073 1 1881 . 1 1 146 146 VAL HB H 1 1.626 0.009 14 1 . . . . 144 V HB . 11073 1 1882 . 1 1 146 146 VAL HG11 H 1 0.660 0.007 36 2 . . . . 144 V MG1 . 11073 1 1883 . 1 1 146 146 VAL HG12 H 1 0.660 0.007 36 2 . . . . 144 V MG1 . 11073 1 1884 . 1 1 146 146 VAL HG13 H 1 0.660 0.007 36 2 . . . . 144 V MG1 . 11073 1 1885 . 1 1 146 146 VAL HG21 H 1 0.341 0.008 51 2 . . . . 144 V MG2 . 11073 1 1886 . 1 1 146 146 VAL HG22 H 1 0.341 0.008 51 2 . . . . 144 V MG2 . 11073 1 1887 . 1 1 146 146 VAL HG23 H 1 0.341 0.008 51 2 . . . . 144 V MG2 . 11073 1 1888 . 1 1 146 146 VAL C C 13 176.505 0.013 2 1 . . . . 144 V C . 11073 1 1889 . 1 1 146 146 VAL CA C 13 63.815 0.104 20 1 . . . . 144 V CA . 11073 1 1890 . 1 1 146 146 VAL CB C 13 31.714 0.085 11 1 . . . . 144 V CB . 11073 1 1891 . 1 1 146 146 VAL CG1 C 13 21.353 0.099 29 2 . . . . 144 V CG1 . 11073 1 1892 . 1 1 146 146 VAL CG2 C 13 19.381 0.117 47 2 . . . . 144 V CG2 . 11073 1 1893 . 1 1 146 146 VAL N N 15 127.466 0.026 27 1 . . . . 144 V N . 11073 1 1894 . 1 1 147 147 GLN H H 1 8.539 0.006 29 1 . . . . 145 Q H . 11073 1 1895 . 1 1 147 147 GLN HA H 1 4.396 0.014 8 1 . . . . 145 Q HA . 11073 1 1896 . 1 1 147 147 GLN HB2 H 1 2.350 0.009 12 2 . . . . 145 Q HB2 . 11073 1 1897 . 1 1 147 147 GLN HB3 H 1 2.057 0.011 9 2 . . . . 145 Q HB3 . 11073 1 1898 . 1 1 147 147 GLN HE21 H 1 6.929 0.003 24 2 . . . . 145 Q HE21 . 11073 1 1899 . 1 1 147 147 GLN HE22 H 1 6.834 0.003 22 2 . . . . 145 Q HE22 . 11073 1 1900 . 1 1 147 147 GLN HG2 H 1 2.347 . 1 2 . . . . 145 Q HG2 . 11073 1 1901 . 1 1 147 147 GLN HG3 H 1 2.324 0.002 2 2 . . . . 145 Q HG3 . 11073 1 1902 . 1 1 147 147 GLN C C 13 172.634 . 1 1 . . . . 145 Q C . 11073 1 1903 . 1 1 147 147 GLN CA C 13 56.019 0.086 18 1 . . . . 145 Q CA . 11073 1 1904 . 1 1 147 147 GLN CB C 13 26.548 0.055 14 1 . . . . 145 Q CB . 11073 1 1905 . 1 1 147 147 GLN CD C 13 179.175 0.011 2 1 . . . . 145 Q CD . 11073 1 1906 . 1 1 147 147 GLN CG C 13 33.756 0.088 30 1 . . . . 145 Q CG . 11073 1 1907 . 1 1 147 147 GLN N N 15 132.285 0.060 25 1 . . . . 145 Q N . 11073 1 1908 . 1 1 147 147 GLN NE2 N 15 111.135 0.044 41 1 . . . . 145 Q NE2 . 11073 1 1909 . 1 1 148 148 PRO HA H 1 4.182 0.006 6 1 . . . . 146 P HA . 11073 1 1910 . 1 1 148 148 PRO HB2 H 1 2.437 0.010 9 2 . . . . 146 P HB2 . 11073 1 1911 . 1 1 148 148 PRO HB3 H 1 1.874 0.009 3 2 . . . . 146 P HB3 . 11073 1 1912 . 1 1 148 148 PRO HD2 H 1 3.770 0.005 4 2 . . . . 146 P HD2 . 11073 1 1913 . 1 1 148 148 PRO HD3 H 1 3.608 0.011 5 2 . . . . 146 P HD3 . 11073 1 1914 . 1 1 148 148 PRO HG2 H 1 2.161 0.004 3 2 . . . . 146 P HG2 . 11073 1 1915 . 1 1 148 148 PRO HG3 H 1 1.921 0.012 3 2 . . . . 146 P HG3 . 11073 1 1916 . 1 1 148 148 PRO C C 13 176.030 0.008 2 1 . . . . 146 P C . 11073 1 1917 . 1 1 148 148 PRO CA C 13 65.273 0.081 9 1 . . . . 146 P CA . 11073 1 1918 . 1 1 148 148 PRO CB C 13 32.038 0.106 7 1 . . . . 146 P CB . 11073 1 1919 . 1 1 148 148 PRO CD C 13 51.094 0.129 12 1 . . . . 146 P CD . 11073 1 1920 . 1 1 148 148 PRO CG C 13 28.224 0.087 10 1 . . . . 146 P CG . 11073 1 1921 . 1 1 149 149 GLU H H 1 10.212 0.006 30 1 . . . . 147 E H . 11073 1 1922 . 1 1 149 149 GLU HA H 1 5.453 0.007 24 1 . . . . 147 E HA . 11073 1 1923 . 1 1 149 149 GLU HB2 H 1 2.134 0.011 18 2 . . . . 147 E QB . 11073 1 1924 . 1 1 149 149 GLU HB3 H 1 2.134 0.011 18 2 . . . . 147 E QB . 11073 1 1925 . 1 1 149 149 GLU HG2 H 1 2.500 0.018 6 2 . . . . 147 E HG2 . 11073 1 1926 . 1 1 149 149 GLU HG3 H 1 2.318 0.011 7 2 . . . . 147 E HG3 . 11073 1 1927 . 1 1 149 149 GLU C C 13 175.514 0.001 2 1 . . . . 147 E C . 11073 1 1928 . 1 1 149 149 GLU CA C 13 55.022 0.101 23 1 . . . . 147 E CA . 11073 1 1929 . 1 1 149 149 GLU CB C 13 31.791 0.129 15 1 . . . . 147 E CB . 11073 1 1930 . 1 1 149 149 GLU CD C 13 182.724 0.005 2 1 . . . . 147 E CD . 11073 1 1931 . 1 1 149 149 GLU CG C 13 34.867 0.095 13 1 . . . . 147 E CG . 11073 1 1932 . 1 1 149 149 GLU N N 15 127.838 0.032 28 1 . . . . 147 E N . 11073 1 1933 . 1 1 150 150 THR H H 1 8.959 0.006 39 1 . . . . 148 T H . 11073 1 1934 . 1 1 150 150 THR HA H 1 4.773 0.004 19 1 . . . . 148 T HA . 11073 1 1935 . 1 1 150 150 THR HB H 1 4.061 0.005 26 1 . . . . 148 T HB . 11073 1 1936 . 1 1 150 150 THR HG21 H 1 1.240 0.006 19 1 . . . . 148 T MG . 11073 1 1937 . 1 1 150 150 THR HG22 H 1 1.240 0.006 19 1 . . . . 148 T MG . 11073 1 1938 . 1 1 150 150 THR HG23 H 1 1.240 0.006 19 1 . . . . 148 T MG . 11073 1 1939 . 1 1 150 150 THR C C 13 173.472 0.020 2 1 . . . . 148 T C . 11073 1 1940 . 1 1 150 150 THR CA C 13 61.270 0.064 19 1 . . . . 148 T CA . 11073 1 1941 . 1 1 150 150 THR CB C 13 71.106 0.077 27 1 . . . . 148 T CB . 11073 1 1942 . 1 1 150 150 THR CG2 C 13 21.341 0.062 18 1 . . . . 148 T CG2 . 11073 1 1943 . 1 1 150 150 THR N N 15 113.930 0.035 35 1 . . . . 148 T N . 11073 1 1944 . 1 1 151 151 PHE H H 1 9.125 0.004 24 1 . . . . 149 F H . 11073 1 1945 . 1 1 151 151 PHE HA H 1 5.515 0.011 20 1 . . . . 149 F HA . 11073 1 1946 . 1 1 151 151 PHE HB2 H 1 3.291 0.014 12 2 . . . . 149 F HB2 . 11073 1 1947 . 1 1 151 151 PHE HB3 H 1 2.916 0.018 5 2 . . . . 149 F HB3 . 11073 1 1948 . 1 1 151 151 PHE HD1 H 1 6.919 0.014 10 3 . . . . 149 F QD . 11073 1 1949 . 1 1 151 151 PHE HD2 H 1 6.919 0.014 10 3 . . . . 149 F QD . 11073 1 1950 . 1 1 151 151 PHE HE1 H 1 6.852 0.013 11 3 . . . . 149 F QE . 11073 1 1951 . 1 1 151 151 PHE HE2 H 1 6.852 0.013 11 3 . . . . 149 F QE . 11073 1 1952 . 1 1 151 151 PHE C C 13 174.209 0.005 2 1 . . . . 149 F C . 11073 1 1953 . 1 1 151 151 PHE CA C 13 56.470 0.077 21 1 . . . . 149 F CA . 11073 1 1954 . 1 1 151 151 PHE CB C 13 42.237 0.165 13 1 . . . . 149 F CB . 11073 1 1955 . 1 1 151 151 PHE CD1 C 13 131.329 0.098 9 3 . . . . 149 F CD1 . 11073 1 1956 . 1 1 151 151 PHE CD2 C 13 131.329 0.098 9 3 . . . . 149 F CD2 . 11073 1 1957 . 1 1 151 151 PHE CE1 C 13 127.702 0.146 9 3 . . . . 149 F CE1 . 11073 1 1958 . 1 1 151 151 PHE CE2 C 13 127.702 0.146 9 3 . . . . 149 F CE2 . 11073 1 1959 . 1 1 151 151 PHE N N 15 127.789 0.040 22 1 . . . . 149 F N . 11073 1 1960 . 1 1 152 152 THR H H 1 8.522 0.006 30 1 . . . . 150 T H . 11073 1 1961 . 1 1 152 152 THR HA H 1 3.967 0.006 16 1 . . . . 150 T HA . 11073 1 1962 . 1 1 152 152 THR HB H 1 3.616 0.005 23 1 . . . . 150 T HB . 11073 1 1963 . 1 1 152 152 THR HG21 H 1 0.917 0.005 20 1 . . . . 150 T MG . 11073 1 1964 . 1 1 152 152 THR HG22 H 1 0.917 0.005 20 1 . . . . 150 T MG . 11073 1 1965 . 1 1 152 152 THR HG23 H 1 0.917 0.005 20 1 . . . . 150 T MG . 11073 1 1966 . 1 1 152 152 THR C C 13 170.637 0.015 2 1 . . . . 150 T C . 11073 1 1967 . 1 1 152 152 THR CA C 13 61.095 0.062 15 1 . . . . 150 T CA . 11073 1 1968 . 1 1 152 152 THR CB C 13 70.889 0.058 22 1 . . . . 150 T CB . 11073 1 1969 . 1 1 152 152 THR CG2 C 13 21.227 0.083 25 1 . . . . 150 T CG2 . 11073 1 1970 . 1 1 152 152 THR N N 15 123.167 0.080 28 1 . . . . 150 T N . 11073 1 1971 . 1 1 153 153 CYS H H 1 8.627 0.002 14 1 . . . . 151 C H . 11073 1 1972 . 1 1 153 153 CYS HA H 1 3.937 0.008 18 1 . . . . 151 C HA . 11073 1 1973 . 1 1 153 153 CYS HB2 H 1 3.502 0.015 12 2 . . . . 151 C HB2 . 11073 1 1974 . 1 1 153 153 CYS HB3 H 1 3.256 0.007 13 2 . . . . 151 C HB3 . 11073 1 1975 . 1 1 153 153 CYS C C 13 172.446 0.022 2 1 . . . . 151 C C . 11073 1 1976 . 1 1 153 153 CYS CA C 13 52.662 0.069 21 1 . . . . 151 C CA . 11073 1 1977 . 1 1 153 153 CYS CB C 13 40.786 0.098 20 1 . . . . 151 C CB . 11073 1 1978 . 1 1 153 153 CYS N N 15 125.717 0.045 13 1 . . . . 151 C N . 11073 1 1979 . 1 1 154 154 GLU H H 1 7.605 0.004 38 1 . . . . 152 E H . 11073 1 1980 . 1 1 154 154 GLU HA H 1 3.994 0.011 24 1 . . . . 152 E HA . 11073 1 1981 . 1 1 154 154 GLU HB2 H 1 1.853 0.010 13 2 . . . . 152 E HB2 . 11073 1 1982 . 1 1 154 154 GLU HB3 H 1 1.727 0.009 14 2 . . . . 152 E HB3 . 11073 1 1983 . 1 1 154 154 GLU HG2 H 1 1.986 0.005 16 2 . . . . 152 E HG2 . 11073 1 1984 . 1 1 154 154 GLU HG3 H 1 1.900 0.006 15 2 . . . . 152 E HG3 . 11073 1 1985 . 1 1 154 154 GLU C C 13 176.825 0.002 2 1 . . . . 152 E C . 11073 1 1986 . 1 1 154 154 GLU CA C 13 59.542 0.073 29 1 . . . . 152 E CA . 11073 1 1987 . 1 1 154 154 GLU CB C 13 29.453 0.105 26 1 . . . . 152 E CB . 11073 1 1988 . 1 1 154 154 GLU CD C 13 181.774 0.005 2 1 . . . . 152 E CD . 11073 1 1989 . 1 1 154 154 GLU CG C 13 36.060 0.094 30 1 . . . . 152 E CG . 11073 1 1990 . 1 1 154 154 GLU N N 15 128.404 0.042 35 1 . . . . 152 E N . 11073 1 1991 . 1 1 155 155 SER H H 1 7.917 0.004 44 1 . . . . 153 S H . 11073 1 1992 . 1 1 155 155 SER HA H 1 4.691 0.008 27 1 . . . . 153 S HA . 11073 1 1993 . 1 1 155 155 SER HB2 H 1 3.906 0.014 19 2 . . . . 153 S HB2 . 11073 1 1994 . 1 1 155 155 SER HB3 H 1 3.539 0.007 18 2 . . . . 153 S HB3 . 11073 1 1995 . 1 1 155 155 SER C C 13 173.841 0.022 2 1 . . . . 153 S C . 11073 1 1996 . 1 1 155 155 SER CA C 13 57.304 0.098 25 1 . . . . 153 S CA . 11073 1 1997 . 1 1 155 155 SER CB C 13 64.695 0.065 28 1 . . . . 153 S CB . 11073 1 1998 . 1 1 155 155 SER N N 15 109.716 0.032 40 1 . . . . 153 S N . 11073 1 1999 . 1 1 156 156 ILE H H 1 8.470 0.005 27 1 . . . . 154 I H . 11073 1 2000 . 1 1 156 156 ILE HA H 1 4.726 0.012 35 1 . . . . 154 I HA . 11073 1 2001 . 1 1 156 156 ILE HB H 1 2.178 0.007 41 1 . . . . 154 I HB . 11073 1 2002 . 1 1 156 156 ILE HD11 H 1 0.971 0.007 56 1 . . . . 154 I MD . 11073 1 2003 . 1 1 156 156 ILE HD12 H 1 0.971 0.007 56 1 . . . . 154 I MD . 11073 1 2004 . 1 1 156 156 ILE HD13 H 1 0.971 0.007 56 1 . . . . 154 I MD . 11073 1 2005 . 1 1 156 156 ILE HG12 H 1 1.378 0.006 22 2 . . . . 154 I HG12 . 11073 1 2006 . 1 1 156 156 ILE HG13 H 1 1.176 0.007 24 2 . . . . 154 I HG13 . 11073 1 2007 . 1 1 156 156 ILE HG21 H 1 0.898 0.008 42 1 . . . . 154 I MG . 11073 1 2008 . 1 1 156 156 ILE HG22 H 1 0.898 0.008 42 1 . . . . 154 I MG . 11073 1 2009 . 1 1 156 156 ILE HG23 H 1 0.898 0.008 42 1 . . . . 154 I MG . 11073 1 2010 . 1 1 156 156 ILE C C 13 175.395 0.005 2 1 . . . . 154 I C . 11073 1 2011 . 1 1 156 156 ILE CA C 13 60.108 0.106 32 1 . . . . 154 I CA . 11073 1 2012 . 1 1 156 156 ILE CB C 13 38.781 0.074 36 1 . . . . 154 I CB . 11073 1 2013 . 1 1 156 156 ILE CD1 C 13 15.195 0.072 62 1 . . . . 154 I CD1 . 11073 1 2014 . 1 1 156 156 ILE CG1 C 13 26.250 0.113 30 1 . . . . 154 I CG1 . 11073 1 2015 . 1 1 156 156 ILE CG2 C 13 19.795 0.082 47 1 . . . . 154 I CG2 . 11073 1 2016 . 1 1 156 156 ILE N N 15 119.410 0.025 24 1 . . . . 154 I N . 11073 1 2017 . 1 1 157 157 GLY H H 1 8.142 0.003 38 1 . . . . 155 G H . 11073 1 2018 . 1 1 157 157 GLY HA2 H 1 4.001 0.008 15 2 . . . . 155 G HA2 . 11073 1 2019 . 1 1 157 157 GLY HA3 H 1 3.844 0.013 10 2 . . . . 155 G HA3 . 11073 1 2020 . 1 1 157 157 GLY C C 13 173.069 0.014 3 1 . . . . 155 G C . 11073 1 2021 . 1 1 157 157 GLY CA C 13 46.235 0.134 24 1 . . . . 155 G CA . 11073 1 2022 . 1 1 157 157 GLY N N 15 110.240 0.033 34 1 . . . . 155 G N . 11073 1 2023 . 1 1 158 158 GLU H H 1 8.502 0.003 24 1 . . . . 156 E H . 11073 1 2024 . 1 1 158 158 GLU HA H 1 4.784 0.004 18 1 . . . . 156 E HA . 11073 1 2025 . 1 1 158 158 GLU HB2 H 1 1.993 0.006 10 2 . . . . 156 E HB2 . 11073 1 2026 . 1 1 158 158 GLU HB3 H 1 1.924 0.006 6 2 . . . . 156 E HB3 . 11073 1 2027 . 1 1 158 158 GLU HG2 H 1 2.209 0.009 14 2 . . . . 156 E QG . 11073 1 2028 . 1 1 158 158 GLU HG3 H 1 2.209 0.009 14 2 . . . . 156 E QG . 11073 1 2029 . 1 1 158 158 GLU C C 13 173.027 . 1 1 . . . . 156 E C . 11073 1 2030 . 1 1 158 158 GLU CA C 13 52.927 0.072 18 1 . . . . 156 E CA . 11073 1 2031 . 1 1 158 158 GLU CB C 13 29.605 0.062 18 1 . . . . 156 E CB . 11073 1 2032 . 1 1 158 158 GLU CD C 13 184.276 . 1 1 . . . . 156 E CD . 11073 1 2033 . 1 1 158 158 GLU CG C 13 35.718 0.083 17 1 . . . . 156 E CG . 11073 1 2034 . 1 1 158 158 GLU N N 15 125.302 0.052 22 1 . . . . 156 E N . 11073 1 2035 . 1 1 159 159 PRO HA H 1 4.686 0.008 33 1 . . . . 157 P HA . 11073 1 2036 . 1 1 159 159 PRO HB2 H 1 1.733 0.010 13 2 . . . . 157 P HB2 . 11073 1 2037 . 1 1 159 159 PRO HB3 H 1 1.987 0.006 13 2 . . . . 157 P HB3 . 11073 1 2038 . 1 1 159 159 PRO HD2 H 1 3.808 0.009 10 2 . . . . 157 P HD2 . 11073 1 2039 . 1 1 159 159 PRO HD3 H 1 3.691 0.012 19 2 . . . . 157 P HD3 . 11073 1 2040 . 1 1 159 159 PRO HG2 H 1 2.285 0.011 21 2 . . . . 157 P HG2 . 11073 1 2041 . 1 1 159 159 PRO HG3 H 1 2.152 0.010 16 2 . . . . 157 P HG3 . 11073 1 2042 . 1 1 159 159 PRO C C 13 176.510 0.014 2 1 . . . . 157 P C . 11073 1 2043 . 1 1 159 159 PRO CA C 13 63.388 0.106 38 1 . . . . 157 P CA . 11073 1 2044 . 1 1 159 159 PRO CB C 13 32.887 0.093 26 1 . . . . 157 P CB . 11073 1 2045 . 1 1 159 159 PRO CD C 13 50.458 0.106 37 1 . . . . 157 P CD . 11073 1 2046 . 1 1 159 159 PRO CG C 13 27.477 0.063 30 1 . . . . 157 P CG . 11073 1 2047 . 1 1 160 160 LYS H H 1 8.542 0.005 34 1 . . . . 158 K H . 11073 1 2048 . 1 1 160 160 LYS HA H 1 4.683 0.009 25 1 . . . . 158 K HA . 11073 1 2049 . 1 1 160 160 LYS HB2 H 1 1.916 0.007 17 2 . . . . 158 K QB . 11073 1 2050 . 1 1 160 160 LYS HB3 H 1 1.916 0.007 17 2 . . . . 158 K QB . 11073 1 2051 . 1 1 160 160 LYS HD2 H 1 1.710 0.012 13 2 . . . . 158 K QD . 11073 1 2052 . 1 1 160 160 LYS HD3 H 1 1.710 0.012 13 2 . . . . 158 K QD . 11073 1 2053 . 1 1 160 160 LYS HE2 H 1 2.989 0.012 18 2 . . . . 158 K QE . 11073 1 2054 . 1 1 160 160 LYS HE3 H 1 2.989 0.012 18 2 . . . . 158 K QE . 11073 1 2055 . 1 1 160 160 LYS HG2 H 1 1.543 0.014 13 2 . . . . 158 K HG2 . 11073 1 2056 . 1 1 160 160 LYS HG3 H 1 1.407 0.009 13 2 . . . . 158 K HG3 . 11073 1 2057 . 1 1 160 160 LYS C C 13 175.664 0.018 2 1 . . . . 158 K C . 11073 1 2058 . 1 1 160 160 LYS CA C 13 55.019 0.094 22 1 . . . . 158 K CA . 11073 1 2059 . 1 1 160 160 LYS CB C 13 32.925 0.099 26 1 . . . . 158 K CB . 11073 1 2060 . 1 1 160 160 LYS CD C 13 28.661 0.129 12 1 . . . . 158 K CD . 11073 1 2061 . 1 1 160 160 LYS CE C 13 41.801 0.104 18 1 . . . . 158 K CE . 11073 1 2062 . 1 1 160 160 LYS CG C 13 24.459 0.071 20 1 . . . . 158 K CG . 11073 1 2063 . 1 1 160 160 LYS N N 15 123.851 0.050 31 1 . . . . 158 K N . 11073 1 2064 . 1 1 161 161 ILE H H 1 8.732 0.007 34 1 . . . . 159 I H . 11073 1 2065 . 1 1 161 161 ILE HA H 1 4.934 0.005 34 1 . . . . 159 I HA . 11073 1 2066 . 1 1 161 161 ILE HB H 1 1.811 0.007 23 1 . . . . 159 I HB . 11073 1 2067 . 1 1 161 161 ILE HD11 H 1 0.848 0.008 52 1 . . . . 159 I MD . 11073 1 2068 . 1 1 161 161 ILE HD12 H 1 0.848 0.008 52 1 . . . . 159 I MD . 11073 1 2069 . 1 1 161 161 ILE HD13 H 1 0.848 0.008 52 1 . . . . 159 I MD . 11073 1 2070 . 1 1 161 161 ILE HG12 H 1 1.317 0.006 21 2 . . . . 159 I HG12 . 11073 1 2071 . 1 1 161 161 ILE HG13 H 1 1.216 0.011 13 2 . . . . 159 I HG13 . 11073 1 2072 . 1 1 161 161 ILE HG21 H 1 0.733 0.008 38 1 . . . . 159 I MG . 11073 1 2073 . 1 1 161 161 ILE HG22 H 1 0.733 0.008 38 1 . . . . 159 I MG . 11073 1 2074 . 1 1 161 161 ILE HG23 H 1 0.733 0.008 38 1 . . . . 159 I MG . 11073 1 2075 . 1 1 161 161 ILE C C 13 175.577 0.006 2 1 . . . . 159 I C . 11073 1 2076 . 1 1 161 161 ILE CA C 13 58.560 0.093 38 1 . . . . 159 I CA . 11073 1 2077 . 1 1 161 161 ILE CB C 13 39.643 0.089 21 1 . . . . 159 I CB . 11073 1 2078 . 1 1 161 161 ILE CD1 C 13 13.899 0.096 66 1 . . . . 159 I CD1 . 11073 1 2079 . 1 1 161 161 ILE CG1 C 13 28.034 0.084 32 1 . . . . 159 I CG1 . 11073 1 2080 . 1 1 161 161 ILE CG2 C 13 17.943 0.122 35 1 . . . . 159 I CG2 . 11073 1 2081 . 1 1 161 161 ILE N N 15 127.178 0.072 31 1 . . . . 159 I N . 11073 1 2082 . 1 1 162 162 THR H H 1 9.148 0.006 43 1 . . . . 160 T H . 11073 1 2083 . 1 1 162 162 THR HA H 1 4.515 0.003 18 1 . . . . 160 T HA . 11073 1 2084 . 1 1 162 162 THR HB H 1 3.882 0.007 16 1 . . . . 160 T HB . 11073 1 2085 . 1 1 162 162 THR HG21 H 1 1.121 0.007 26 1 . . . . 160 T MG . 11073 1 2086 . 1 1 162 162 THR HG22 H 1 1.121 0.007 26 1 . . . . 160 T MG . 11073 1 2087 . 1 1 162 162 THR HG23 H 1 1.121 0.007 26 1 . . . . 160 T MG . 11073 1 2088 . 1 1 162 162 THR C C 13 172.912 0.026 2 1 . . . . 160 T C . 11073 1 2089 . 1 1 162 162 THR CA C 13 61.185 0.077 20 1 . . . . 160 T CA . 11073 1 2090 . 1 1 162 162 THR CB C 13 71.007 0.057 16 1 . . . . 160 T CB . 11073 1 2091 . 1 1 162 162 THR CG2 C 13 21.277 0.077 27 1 . . . . 160 T CG2 . 11073 1 2092 . 1 1 162 162 THR N N 15 122.417 0.080 39 1 . . . . 160 T N . 11073 1 2093 . 1 1 163 163 LEU H H 1 8.708 0.004 35 1 . . . . 161 L H . 11073 1 2094 . 1 1 163 163 LEU HA H 1 5.369 0.010 35 1 . . . . 161 L HA . 11073 1 2095 . 1 1 163 163 LEU HB2 H 1 1.759 0.015 20 2 . . . . 161 L HB2 . 11073 1 2096 . 1 1 163 163 LEU HB3 H 1 1.454 0.012 22 2 . . . . 161 L HB3 . 11073 1 2097 . 1 1 163 163 LEU HD11 H 1 0.734 0.008 29 2 . . . . 161 L MD1 . 11073 1 2098 . 1 1 163 163 LEU HD12 H 1 0.734 0.008 29 2 . . . . 161 L MD1 . 11073 1 2099 . 1 1 163 163 LEU HD13 H 1 0.734 0.008 29 2 . . . . 161 L MD1 . 11073 1 2100 . 1 1 163 163 LEU HD21 H 1 1.012 0.008 51 2 . . . . 161 L MD2 . 11073 1 2101 . 1 1 163 163 LEU HD22 H 1 1.012 0.008 51 2 . . . . 161 L MD2 . 11073 1 2102 . 1 1 163 163 LEU HD23 H 1 1.012 0.008 51 2 . . . . 161 L MD2 . 11073 1 2103 . 1 1 163 163 LEU HG H 1 1.708 0.010 18 1 . . . . 161 L HG . 11073 1 2104 . 1 1 163 163 LEU C C 13 176.918 0.013 2 1 . . . . 161 L C . 11073 1 2105 . 1 1 163 163 LEU CA C 13 52.128 0.094 29 1 . . . . 161 L CA . 11073 1 2106 . 1 1 163 163 LEU CB C 13 43.440 0.094 33 1 . . . . 161 L CB . 11073 1 2107 . 1 1 163 163 LEU CD1 C 13 24.955 0.089 27 2 . . . . 161 L CD1 . 11073 1 2108 . 1 1 163 163 LEU CD2 C 13 23.067 0.124 42 2 . . . . 161 L CD2 . 11073 1 2109 . 1 1 163 163 LEU CG C 13 26.917 0.113 16 1 . . . . 161 L CG . 11073 1 2110 . 1 1 163 163 LEU N N 15 125.589 0.042 32 1 . . . . 161 L N . 11073 1 2111 . 1 1 164 164 SER H H 1 8.322 0.006 36 1 . . . . 162 S H . 11073 1 2112 . 1 1 164 164 SER HA H 1 4.410 0.007 20 1 . . . . 162 S HA . 11073 1 2113 . 1 1 164 164 SER HB2 H 1 4.439 0.008 7 2 . . . . 162 S HB2 . 11073 1 2114 . 1 1 164 164 SER HB3 H 1 4.182 0.013 8 2 . . . . 162 S HB3 . 11073 1 2115 . 1 1 164 164 SER C C 13 175.826 0.005 2 1 . . . . 162 S C . 11073 1 2116 . 1 1 164 164 SER CA C 13 58.579 0.079 22 1 . . . . 162 S CA . 11073 1 2117 . 1 1 164 164 SER CB C 13 62.536 0.089 17 1 . . . . 162 S CB . 11073 1 2118 . 1 1 164 164 SER N N 15 116.630 0.045 34 1 . . . . 162 S N . 11073 1 2119 . 1 1 165 165 SER H H 1 8.929 0.002 14 1 . . . . 163 S H . 11073 1 2120 . 1 1 165 165 SER HA H 1 4.292 0.008 12 1 . . . . 163 S HA . 11073 1 2121 . 1 1 165 165 SER HB2 H 1 3.996 0.005 11 2 . . . . 163 S QB . 11073 1 2122 . 1 1 165 165 SER HB3 H 1 3.996 0.005 11 2 . . . . 163 S QB . 11073 1 2123 . 1 1 165 165 SER C C 13 176.282 0.034 2 1 . . . . 163 S C . 11073 1 2124 . 1 1 165 165 SER CA C 13 61.754 0.099 16 1 . . . . 163 S CA . 11073 1 2125 . 1 1 165 165 SER CB C 13 62.662 0.057 10 1 . . . . 163 S CB . 11073 1 2126 . 1 1 165 165 SER N N 15 118.258 0.020 11 1 . . . . 163 S N . 11073 1 2127 . 1 1 166 166 ASP H H 1 8.963 0.006 25 1 . . . . 164 D H . 11073 1 2128 . 1 1 166 166 ASP HA H 1 4.382 0.007 16 1 . . . . 164 D HA . 11073 1 2129 . 1 1 166 166 ASP HB2 H 1 2.856 0.007 12 2 . . . . 164 D HB2 . 11073 1 2130 . 1 1 166 166 ASP HB3 H 1 2.771 0.010 10 2 . . . . 164 D HB3 . 11073 1 2131 . 1 1 166 166 ASP C C 13 177.769 0.033 2 1 . . . . 164 D C . 11073 1 2132 . 1 1 166 166 ASP CA C 13 56.341 0.075 15 1 . . . . 164 D CA . 11073 1 2133 . 1 1 166 166 ASP CB C 13 38.743 0.075 22 1 . . . . 164 D CB . 11073 1 2134 . 1 1 166 166 ASP CG C 13 179.508 0.001 2 1 . . . . 164 D CG . 11073 1 2135 . 1 1 166 166 ASP N N 15 121.029 0.054 22 1 . . . . 164 D N . 11073 1 2136 . 1 1 167 167 LEU H H 1 7.701 0.003 44 1 . . . . 165 L H . 11073 1 2137 . 1 1 167 167 LEU HA H 1 4.369 0.010 29 1 . . . . 165 L HA . 11073 1 2138 . 1 1 167 167 LEU HB2 H 1 2.094 0.011 26 2 . . . . 165 L HB2 . 11073 1 2139 . 1 1 167 167 LEU HB3 H 1 1.718 0.011 25 2 . . . . 165 L HB3 . 11073 1 2140 . 1 1 167 167 LEU HD11 H 1 0.813 0.010 23 2 . . . . 165 L MD1 . 11073 1 2141 . 1 1 167 167 LEU HD12 H 1 0.813 0.010 23 2 . . . . 165 L MD1 . 11073 1 2142 . 1 1 167 167 LEU HD13 H 1 0.813 0.010 23 2 . . . . 165 L MD1 . 11073 1 2143 . 1 1 167 167 LEU HD21 H 1 0.827 0.011 20 2 . . . . 165 L MD2 . 11073 1 2144 . 1 1 167 167 LEU HD22 H 1 0.827 0.011 20 2 . . . . 165 L MD2 . 11073 1 2145 . 1 1 167 167 LEU HD23 H 1 0.827 0.011 20 2 . . . . 165 L MD2 . 11073 1 2146 . 1 1 167 167 LEU HG H 1 1.430 0.008 13 1 . . . . 165 L HG . 11073 1 2147 . 1 1 167 167 LEU C C 13 177.474 . 1 1 . . . . 165 L C . 11073 1 2148 . 1 1 167 167 LEU CA C 13 57.023 0.101 24 1 . . . . 165 L CA . 11073 1 2149 . 1 1 167 167 LEU CB C 13 41.163 0.111 38 1 . . . . 165 L CB . 11073 1 2150 . 1 1 167 167 LEU CD1 C 13 27.245 0.121 42 2 . . . . 165 L CD1 . 11073 1 2151 . 1 1 167 167 LEU CD2 C 13 23.811 0.088 43 2 . . . . 165 L CD2 . 11073 1 2152 . 1 1 167 167 LEU CG C 13 27.183 0.122 21 1 . . . . 165 L CG . 11073 1 2153 . 1 1 167 167 LEU N N 15 124.849 0.033 40 1 . . . . 165 L N . 11073 1 2154 . 1 1 168 168 SER H H 1 8.625 0.004 39 1 . . . . 166 S H . 11073 1 2155 . 1 1 168 168 SER HA H 1 3.873 0.011 21 1 . . . . 166 S HA . 11073 1 2156 . 1 1 168 168 SER C C 13 176.547 0.022 2 1 . . . . 166 S C . 11073 1 2157 . 1 1 168 168 SER CA C 13 62.271 0.081 29 1 . . . . 166 S CA . 11073 1 2158 . 1 1 168 168 SER N N 15 114.386 0.032 34 1 . . . . 166 S N . 11073 1 2159 . 1 1 169 169 SER H H 1 8.207 0.004 42 1 . . . . 167 S H . 11073 1 2160 . 1 1 169 169 SER HA H 1 4.249 0.011 16 1 . . . . 167 S HA . 11073 1 2161 . 1 1 169 169 SER HB2 H 1 3.999 0.007 14 2 . . . . 167 S QB . 11073 1 2162 . 1 1 169 169 SER HB3 H 1 3.999 0.007 14 2 . . . . 167 S QB . 11073 1 2163 . 1 1 169 169 SER C C 13 176.284 0.023 2 1 . . . . 167 S C . 11073 1 2164 . 1 1 169 169 SER CA C 13 61.434 0.119 19 1 . . . . 167 S CA . 11073 1 2165 . 1 1 169 169 SER CB C 13 62.598 0.098 16 1 . . . . 167 S CB . 11073 1 2166 . 1 1 169 169 SER N N 15 115.071 0.031 38 1 . . . . 167 S N . 11073 1 2167 . 1 1 170 170 ALA H H 1 7.651 0.004 50 1 . . . . 168 A H . 11073 1 2168 . 1 1 170 170 ALA HA H 1 4.169 0.013 12 1 . . . . 168 A HA . 11073 1 2169 . 1 1 170 170 ALA HB1 H 1 1.610 0.004 32 1 . . . . 168 A MB . 11073 1 2170 . 1 1 170 170 ALA HB2 H 1 1.610 0.004 32 1 . . . . 168 A MB . 11073 1 2171 . 1 1 170 170 ALA HB3 H 1 1.610 0.004 32 1 . . . . 168 A MB . 11073 1 2172 . 1 1 170 170 ALA C C 13 180.382 0.031 2 1 . . . . 168 A C . 11073 1 2173 . 1 1 170 170 ALA CA C 13 55.097 0.077 17 1 . . . . 168 A CA . 11073 1 2174 . 1 1 170 170 ALA CB C 13 18.351 0.096 37 1 . . . . 168 A CB . 11073 1 2175 . 1 1 170 170 ALA N N 15 124.447 0.044 45 1 . . . . 168 A N . 11073 1 2176 . 1 1 171 171 LEU H H 1 8.099 0.004 41 1 . . . . 169 L H . 11073 1 2177 . 1 1 171 171 LEU HA H 1 3.599 0.006 48 1 . . . . 169 L HA . 11073 1 2178 . 1 1 171 171 LEU HB2 H 1 1.781 0.011 30 2 . . . . 169 L HB2 . 11073 1 2179 . 1 1 171 171 LEU HB3 H 1 1.232 0.005 27 2 . . . . 169 L HB3 . 11073 1 2180 . 1 1 171 171 LEU HD11 H 1 0.511 0.008 43 2 . . . . 169 L MD1 . 11073 1 2181 . 1 1 171 171 LEU HD12 H 1 0.511 0.008 43 2 . . . . 169 L MD1 . 11073 1 2182 . 1 1 171 171 LEU HD13 H 1 0.511 0.008 43 2 . . . . 169 L MD1 . 11073 1 2183 . 1 1 171 171 LEU HD21 H 1 0.154 0.006 68 2 . . . . 169 L MD2 . 11073 1 2184 . 1 1 171 171 LEU HD22 H 1 0.154 0.006 68 2 . . . . 169 L MD2 . 11073 1 2185 . 1 1 171 171 LEU HD23 H 1 0.154 0.006 68 2 . . . . 169 L MD2 . 11073 1 2186 . 1 1 171 171 LEU HG H 1 1.457 0.008 24 1 . . . . 169 L HG . 11073 1 2187 . 1 1 171 171 LEU C C 13 179.573 0.019 2 1 . . . . 169 L C . 11073 1 2188 . 1 1 171 171 LEU CA C 13 57.086 0.066 39 1 . . . . 169 L CA . 11073 1 2189 . 1 1 171 171 LEU CB C 13 42.043 0.084 43 1 . . . . 169 L CB . 11073 1 2190 . 1 1 171 171 LEU CD1 C 13 25.556 0.097 38 2 . . . . 169 L CD1 . 11073 1 2191 . 1 1 171 171 LEU CD2 C 13 21.834 0.054 63 2 . . . . 169 L CD2 . 11073 1 2192 . 1 1 171 171 LEU CG C 13 26.485 0.121 22 1 . . . . 169 L CG . 11073 1 2193 . 1 1 171 171 LEU N N 15 118.191 0.034 37 1 . . . . 169 L N . 11073 1 2194 . 1 1 172 172 GLU H H 1 8.221 0.006 44 1 . . . . 170 E H . 11073 1 2195 . 1 1 172 172 GLU HA H 1 3.908 0.008 34 1 . . . . 170 E HA . 11073 1 2196 . 1 1 172 172 GLU HB2 H 1 2.147 0.016 21 2 . . . . 170 E HB2 . 11073 1 2197 . 1 1 172 172 GLU HB3 H 1 2.029 0.008 26 2 . . . . 170 E HB3 . 11073 1 2198 . 1 1 172 172 GLU HG2 H 1 2.386 0.010 29 2 . . . . 170 E HG2 . 11073 1 2199 . 1 1 172 172 GLU HG3 H 1 2.125 0.012 23 2 . . . . 170 E HG3 . 11073 1 2200 . 1 1 172 172 GLU C C 13 178.834 0.014 2 1 . . . . 170 E C . 11073 1 2201 . 1 1 172 172 GLU CA C 13 58.916 0.088 33 1 . . . . 170 E CA . 11073 1 2202 . 1 1 172 172 GLU CB C 13 29.291 0.141 49 1 . . . . 170 E CB . 11073 1 2203 . 1 1 172 172 GLU CD C 13 182.272 . 1 1 . . . . 170 E CD . 11073 1 2204 . 1 1 172 172 GLU CG C 13 36.087 0.119 44 1 . . . . 170 E CG . 11073 1 2205 . 1 1 172 172 GLU N N 15 120.618 0.054 39 1 . . . . 170 E N . 11073 1 2206 . 1 1 173 173 LYS H H 1 8.069 0.003 33 1 . . . . 171 K H . 11073 1 2207 . 1 1 173 173 LYS HA H 1 4.146 0.007 18 1 . . . . 171 K HA . 11073 1 2208 . 1 1 173 173 LYS HB2 H 1 1.940 0.006 12 2 . . . . 171 K QB . 11073 1 2209 . 1 1 173 173 LYS HB3 H 1 1.940 0.006 12 2 . . . . 171 K QB . 11073 1 2210 . 1 1 173 173 LYS HG2 H 1 1.606 0.010 11 2 . . . . 171 K QG . 11073 1 2211 . 1 1 173 173 LYS HG3 H 1 1.606 0.010 11 2 . . . . 171 K QG . 11073 1 2212 . 1 1 173 173 LYS C C 13 178.453 0.015 2 1 . . . . 171 K C . 11073 1 2213 . 1 1 173 173 LYS CA C 13 58.526 0.106 19 1 . . . . 171 K CA . 11073 1 2214 . 1 1 173 173 LYS CB C 13 32.436 0.103 14 1 . . . . 171 K CB . 11073 1 2215 . 1 1 173 173 LYS CG C 13 24.971 0.105 12 1 . . . . 171 K CG . 11073 1 2216 . 1 1 173 173 LYS N N 15 119.293 0.031 30 1 . . . . 171 K N . 11073 1 2217 . 1 1 174 174 ASP H H 1 7.872 0.006 31 1 . . . . 172 D H . 11073 1 2218 . 1 1 174 174 ASP HA H 1 4.642 0.008 15 1 . . . . 172 D HA . 11073 1 2219 . 1 1 174 174 ASP HB2 H 1 2.751 0.005 14 2 . . . . 172 D HB2 . 11073 1 2220 . 1 1 174 174 ASP HB3 H 1 2.681 0.006 15 2 . . . . 172 D HB3 . 11073 1 2221 . 1 1 174 174 ASP C C 13 176.616 0.005 2 1 . . . . 172 D C . 11073 1 2222 . 1 1 174 174 ASP CA C 13 56.359 0.063 14 1 . . . . 172 D CA . 11073 1 2223 . 1 1 174 174 ASP CB C 13 42.858 0.089 30 1 . . . . 172 D CB . 11073 1 2224 . 1 1 174 174 ASP CG C 13 179.153 0.002 2 1 . . . . 172 D CG . 11073 1 2225 . 1 1 174 174 ASP N N 15 118.261 0.054 28 1 . . . . 172 D N . 11073 1 2226 . 1 1 175 175 SER H H 1 7.813 0.005 31 1 . . . . 173 S H . 11073 1 2227 . 1 1 175 175 SER HA H 1 4.446 0.005 14 1 . . . . 173 S HA . 11073 1 2228 . 1 1 175 175 SER HB2 H 1 4.010 0.008 22 2 . . . . 173 S QB . 11073 1 2229 . 1 1 175 175 SER HB3 H 1 4.010 0.008 22 2 . . . . 173 S QB . 11073 1 2230 . 1 1 175 175 SER C C 13 175.253 0.011 2 1 . . . . 173 S C . 11073 1 2231 . 1 1 175 175 SER CA C 13 58.983 0.070 14 1 . . . . 173 S CA . 11073 1 2232 . 1 1 175 175 SER CB C 13 64.213 0.098 26 1 . . . . 173 S CB . 11073 1 2233 . 1 1 175 175 SER N N 15 112.284 0.042 28 1 . . . . 173 S N . 11073 1 2234 . 1 1 176 176 GLY H H 1 8.090 0.004 30 1 . . . . 174 G H . 11073 1 2235 . 1 1 176 176 GLY HA2 H 1 4.138 0.008 16 2 . . . . 174 G HA2 . 11073 1 2236 . 1 1 176 176 GLY HA3 H 1 3.857 0.008 9 2 . . . . 174 G HA3 . 11073 1 2237 . 1 1 176 176 GLY C C 13 173.834 0.006 2 1 . . . . 174 G C . 11073 1 2238 . 1 1 176 176 GLY CA C 13 45.723 0.088 23 1 . . . . 174 G CA . 11073 1 2239 . 1 1 176 176 GLY N N 15 110.524 0.039 26 1 . . . . 174 G N . 11073 1 2240 . 1 1 177 177 ASN H H 1 8.247 0.007 30 1 . . . . 175 N H . 11073 1 2241 . 1 1 177 177 ASN HA H 1 4.724 0.010 23 1 . . . . 175 N HA . 11073 1 2242 . 1 1 177 177 ASN HB2 H 1 2.742 0.007 26 2 . . . . 175 N HB2 . 11073 1 2243 . 1 1 177 177 ASN HB3 H 1 2.879 0.010 23 2 . . . . 175 N HB3 . 11073 1 2244 . 1 1 177 177 ASN HD21 H 1 7.450 0.003 20 2 . . . . 175 N HD21 . 11073 1 2245 . 1 1 177 177 ASN HD22 H 1 6.868 0.003 15 2 . . . . 175 N HD22 . 11073 1 2246 . 1 1 177 177 ASN C C 13 174.416 0.013 2 1 . . . . 175 N C . 11073 1 2247 . 1 1 177 177 ASN CA C 13 52.751 0.093 21 1 . . . . 175 N CA . 11073 1 2248 . 1 1 177 177 ASN CB C 13 39.073 0.125 38 1 . . . . 175 N CB . 11073 1 2249 . 1 1 177 177 ASN CG C 13 176.916 0.002 2 1 . . . . 175 N CG . 11073 1 2250 . 1 1 177 177 ASN N N 15 118.068 0.050 24 1 . . . . 175 N N . 11073 1 2251 . 1 1 177 177 ASN ND2 N 15 112.523 0.061 30 1 . . . . 175 N ND2 . 11073 1 2252 . 1 1 178 178 ASN H H 1 8.264 0.005 21 1 . . . . 176 N H . 11073 1 2253 . 1 1 178 178 ASN HA H 1 4.636 0.006 18 1 . . . . 176 N HA . 11073 1 2254 . 1 1 178 178 ASN HB2 H 1 2.862 0.006 14 2 . . . . 176 N HB2 . 11073 1 2255 . 1 1 178 178 ASN HB3 H 1 2.752 0.008 13 2 . . . . 176 N HB3 . 11073 1 2256 . 1 1 178 178 ASN HD21 H 1 7.555 0.008 9 2 . . . . 176 N HD21 . 11073 1 2257 . 1 1 178 178 ASN HD22 H 1 6.833 0.005 17 2 . . . . 176 N HD22 . 11073 1 2258 . 1 1 178 178 ASN C C 13 174.243 0.008 2 1 . . . . 176 N C . 11073 1 2259 . 1 1 178 178 ASN CA C 13 53.640 0.065 16 1 . . . . 176 N CA . 11073 1 2260 . 1 1 178 178 ASN CB C 13 38.865 0.062 19 1 . . . . 176 N CB . 11073 1 2261 . 1 1 178 178 ASN CG C 13 177.142 . 2 1 . . . . 176 N CG . 11073 1 2262 . 1 1 178 178 ASN N N 15 117.785 0.044 17 1 . . . . 176 N N . 11073 1 2263 . 1 1 178 178 ASN ND2 N 15 112.757 0.064 22 1 . . . . 176 N ND2 . 11073 1 2264 . 1 1 179 179 SER H H 1 7.859 0.002 37 1 . . . . 177 S H . 11073 1 2265 . 1 1 179 179 SER HA H 1 4.445 0.003 15 1 . . . . 177 S HA . 11073 1 2266 . 1 1 179 179 SER HB2 H 1 3.768 0.006 21 2 . . . . 177 S QB . 11073 1 2267 . 1 1 179 179 SER HB3 H 1 3.768 0.006 21 2 . . . . 177 S QB . 11073 1 2268 . 1 1 179 179 SER C C 13 173.298 0.014 2 1 . . . . 177 S C . 11073 1 2269 . 1 1 179 179 SER CA C 13 57.784 0.060 15 1 . . . . 177 S CA . 11073 1 2270 . 1 1 179 179 SER CB C 13 64.123 0.066 25 1 . . . . 177 S CB . 11073 1 2271 . 1 1 179 179 SER N N 15 112.675 0.029 32 1 . . . . 177 S N . 11073 1 2272 . 1 1 180 180 LEU H H 1 8.464 0.007 33 1 . . . . 178 L H . 11073 1 2273 . 1 1 180 180 LEU HA H 1 4.425 0.009 29 1 . . . . 178 L HA . 11073 1 2274 . 1 1 180 180 LEU HB2 H 1 1.621 0.011 21 2 . . . . 178 L HB2 . 11073 1 2275 . 1 1 180 180 LEU HB3 H 1 1.506 0.008 12 2 . . . . 178 L HB3 . 11073 1 2276 . 1 1 180 180 LEU HD11 H 1 0.867 0.012 37 2 . . . . 178 L MD1 . 11073 1 2277 . 1 1 180 180 LEU HD12 H 1 0.867 0.012 37 2 . . . . 178 L MD1 . 11073 1 2278 . 1 1 180 180 LEU HD13 H 1 0.867 0.012 37 2 . . . . 178 L MD1 . 11073 1 2279 . 1 1 180 180 LEU HD21 H 1 0.789 0.012 56 2 . . . . 178 L MD2 . 11073 1 2280 . 1 1 180 180 LEU HD22 H 1 0.789 0.012 56 2 . . . . 178 L MD2 . 11073 1 2281 . 1 1 180 180 LEU HD23 H 1 0.789 0.012 56 2 . . . . 178 L MD2 . 11073 1 2282 . 1 1 180 180 LEU HG H 1 1.645 0.010 17 1 . . . . 178 L HG . 11073 1 2283 . 1 1 180 180 LEU C C 13 176.161 0.018 2 1 . . . . 178 L C . 11073 1 2284 . 1 1 180 180 LEU CA C 13 54.272 0.105 27 1 . . . . 178 L CA . 11073 1 2285 . 1 1 180 180 LEU CB C 13 41.485 0.076 30 1 . . . . 178 L CB . 11073 1 2286 . 1 1 180 180 LEU CD1 C 13 25.162 0.123 44 2 . . . . 178 L CD1 . 11073 1 2287 . 1 1 180 180 LEU CD2 C 13 23.521 0.111 54 2 . . . . 178 L CD2 . 11073 1 2288 . 1 1 180 180 LEU CG C 13 26.750 0.114 21 1 . . . . 178 L CG . 11073 1 2289 . 1 1 180 180 LEU N N 15 123.239 0.052 30 1 . . . . 178 L N . 11073 1 2290 . 1 1 181 181 GLU H H 1 8.100 0.004 35 1 . . . . 179 E H . 11073 1 2291 . 1 1 181 181 GLU HA H 1 4.672 0.005 26 1 . . . . 179 E HA . 11073 1 2292 . 1 1 181 181 GLU HB2 H 1 2.197 0.012 16 2 . . . . 179 E HB2 . 11073 1 2293 . 1 1 181 181 GLU HB3 H 1 1.800 0.008 22 2 . . . . 179 E HB3 . 11073 1 2294 . 1 1 181 181 GLU HG2 H 1 2.348 0.005 14 2 . . . . 179 E HG2 . 11073 1 2295 . 1 1 181 181 GLU HG3 H 1 2.242 0.010 11 2 . . . . 179 E HG3 . 11073 1 2296 . 1 1 181 181 GLU C C 13 176.057 . 1 1 . . . . 179 E C . 11073 1 2297 . 1 1 181 181 GLU CA C 13 53.576 0.082 24 1 . . . . 179 E CA . 11073 1 2298 . 1 1 181 181 GLU CB C 13 30.078 0.086 29 1 . . . . 179 E CB . 11073 1 2299 . 1 1 181 181 GLU CD C 13 182.932 0.003 2 1 . . . . 179 E CD . 11073 1 2300 . 1 1 181 181 GLU CG C 13 35.521 0.125 22 1 . . . . 179 E CG . 11073 1 2301 . 1 1 181 181 GLU N N 15 124.050 0.037 33 1 . . . . 179 E N . 11073 1 2302 . 1 1 182 182 PRO HA H 1 4.198 0.008 48 1 . . . . 180 P HA . 11073 1 2303 . 1 1 182 182 PRO HB2 H 1 2.210 0.005 20 2 . . . . 180 P HB2 . 11073 1 2304 . 1 1 182 182 PRO HB3 H 1 1.913 0.009 24 2 . . . . 180 P HB3 . 11073 1 2305 . 1 1 182 182 PRO HD2 H 1 3.889 0.009 13 2 . . . . 180 P HD2 . 11073 1 2306 . 1 1 182 182 PRO HD3 H 1 3.828 0.012 20 2 . . . . 180 P HD3 . 11073 1 2307 . 1 1 182 182 PRO HG2 H 1 2.025 0.011 26 2 . . . . 180 P QG . 11073 1 2308 . 1 1 182 182 PRO HG3 H 1 2.025 0.011 26 2 . . . . 180 P QG . 11073 1 2309 . 1 1 182 182 PRO C C 13 175.935 0.005 2 1 . . . . 180 P C . 11073 1 2310 . 1 1 182 182 PRO CA C 13 64.747 0.104 47 1 . . . . 180 P CA . 11073 1 2311 . 1 1 182 182 PRO CB C 13 31.702 0.081 37 1 . . . . 180 P CB . 11073 1 2312 . 1 1 182 182 PRO CD C 13 50.717 0.067 44 1 . . . . 180 P CD . 11073 1 2313 . 1 1 182 182 PRO CG C 13 27.198 0.109 26 1 . . . . 180 P CG . 11073 1 2314 . 1 1 183 183 ASP H H 1 8.144 0.002 35 1 . . . . 181 D H . 11073 1 2315 . 1 1 183 183 ASP HA H 1 4.711 0.007 26 1 . . . . 181 D HA . 11073 1 2316 . 1 1 183 183 ASP HB2 H 1 2.744 0.007 8 2 . . . . 181 D HB2 . 11073 1 2317 . 1 1 183 183 ASP HB3 H 1 2.644 0.004 7 2 . . . . 181 D HB3 . 11073 1 2318 . 1 1 183 183 ASP C C 13 175.168 0.017 2 1 . . . . 181 D C . 11073 1 2319 . 1 1 183 183 ASP CA C 13 53.504 0.102 26 1 . . . . 181 D CA . 11073 1 2320 . 1 1 183 183 ASP CB C 13 40.396 0.108 19 1 . . . . 181 D CB . 11073 1 2321 . 1 1 183 183 ASP CG C 13 180.559 . 2 1 . . . . 181 D CG . 11073 1 2322 . 1 1 183 183 ASP N N 15 114.441 0.036 33 1 . . . . 181 D N . 11073 1 2323 . 1 1 184 184 MET H H 1 7.696 0.003 38 1 . . . . 182 M H . 11073 1 2324 . 1 1 184 184 MET HA H 1 4.710 0.007 20 1 . . . . 182 M HA . 11073 1 2325 . 1 1 184 184 MET HB2 H 1 2.056 0.008 16 2 . . . . 182 M HB2 . 11073 1 2326 . 1 1 184 184 MET HB3 H 1 2.213 0.005 13 2 . . . . 182 M HB3 . 11073 1 2327 . 1 1 184 184 MET HE1 H 1 2.164 0.008 36 1 . . . . 182 M ME . 11073 1 2328 . 1 1 184 184 MET HE2 H 1 2.164 0.008 36 1 . . . . 182 M ME . 11073 1 2329 . 1 1 184 184 MET HE3 H 1 2.164 0.008 36 1 . . . . 182 M ME . 11073 1 2330 . 1 1 184 184 MET HG2 H 1 2.644 0.005 17 2 . . . . 182 M HG2 . 11073 1 2331 . 1 1 184 184 MET HG3 H 1 2.578 0.005 15 2 . . . . 182 M HG3 . 11073 1 2332 . 1 1 184 184 MET C C 13 176.214 0.001 2 1 . . . . 182 M C . 11073 1 2333 . 1 1 184 184 MET CA C 13 53.669 0.083 20 1 . . . . 182 M CA . 11073 1 2334 . 1 1 184 184 MET CB C 13 34.746 0.097 23 1 . . . . 182 M CB . 11073 1 2335 . 1 1 184 184 MET CE C 13 17.208 0.129 36 1 . . . . 182 M CE . 11073 1 2336 . 1 1 184 184 MET CG C 13 32.264 0.075 44 1 . . . . 182 M CG . 11073 1 2337 . 1 1 184 184 MET N N 15 118.837 0.052 36 1 . . . . 182 M N . 11073 1 2338 . 1 1 185 185 GLU H H 1 8.831 0.004 37 1 . . . . 183 E H . 11073 1 2339 . 1 1 185 185 GLU HA H 1 4.981 0.007 17 1 . . . . 183 E HA . 11073 1 2340 . 1 1 185 185 GLU HB2 H 1 1.738 0.010 7 2 . . . . 183 E QB . 11073 1 2341 . 1 1 185 185 GLU HB3 H 1 1.738 0.010 7 2 . . . . 183 E QB . 11073 1 2342 . 1 1 185 185 GLU HG2 H 1 2.347 0.008 2 2 . . . . 183 E HG2 . 11073 1 2343 . 1 1 185 185 GLU HG3 H 1 2.294 . 1 2 . . . . 183 E HG3 . 11073 1 2344 . 1 1 185 185 GLU C C 13 176.834 . 1 1 . . . . 183 E C . 11073 1 2345 . 1 1 185 185 GLU CA C 13 54.529 0.094 19 1 . . . . 183 E CA . 11073 1 2346 . 1 1 185 185 GLU CB C 13 28.025 0.104 7 1 . . . . 183 E CB . 11073 1 2347 . 1 1 185 185 GLU CD C 13 181.699 0.010 2 1 . . . . 183 E CD . 11073 1 2348 . 1 1 185 185 GLU CG C 13 33.350 0.091 15 1 . . . . 183 E CG . 11073 1 2349 . 1 1 185 185 GLU N N 15 120.932 0.037 35 1 . . . . 183 E N . 11073 1 2350 . 1 1 186 186 PRO HA H 1 5.447 0.008 31 1 . . . . 184 P HA . 11073 1 2351 . 1 1 186 186 PRO HB2 H 1 2.134 0.012 6 2 . . . . 184 P HB2 . 11073 1 2352 . 1 1 186 186 PRO HB3 H 1 2.011 0.008 5 2 . . . . 184 P HB3 . 11073 1 2353 . 1 1 186 186 PRO HD2 H 1 3.565 0.007 12 2 . . . . 184 P HD2 . 11073 1 2354 . 1 1 186 186 PRO HD3 H 1 3.475 0.006 8 2 . . . . 184 P HD3 . 11073 1 2355 . 1 1 186 186 PRO HG2 H 1 1.809 0.010 14 2 . . . . 184 P HG2 . 11073 1 2356 . 1 1 186 186 PRO HG3 H 1 1.510 0.014 8 2 . . . . 184 P HG3 . 11073 1 2357 . 1 1 186 186 PRO C C 13 175.628 0.007 2 1 . . . . 184 P C . 11073 1 2358 . 1 1 186 186 PRO CA C 13 63.063 0.106 32 1 . . . . 184 P CA . 11073 1 2359 . 1 1 186 186 PRO CB C 13 33.754 0.090 15 1 . . . . 184 P CB . 11073 1 2360 . 1 1 186 186 PRO CD C 13 48.725 0.062 29 1 . . . . 184 P CD . 11073 1 2361 . 1 1 186 186 PRO CG C 13 24.576 0.088 19 1 . . . . 184 P CG . 11073 1 2362 . 1 1 187 187 LEU H H 1 8.131 0.004 41 1 . . . . 185 L H . 11073 1 2363 . 1 1 187 187 LEU HA H 1 3.977 0.008 25 1 . . . . 185 L HA . 11073 1 2364 . 1 1 187 187 LEU HB2 H 1 1.660 0.012 21 2 . . . . 185 L HB2 . 11073 1 2365 . 1 1 187 187 LEU HB3 H 1 1.891 0.010 41 2 . . . . 185 L HB3 . 11073 1 2366 . 1 1 187 187 LEU HD11 H 1 0.856 0.008 31 2 . . . . 185 L MD1 . 11073 1 2367 . 1 1 187 187 LEU HD12 H 1 0.856 0.008 31 2 . . . . 185 L MD1 . 11073 1 2368 . 1 1 187 187 LEU HD13 H 1 0.856 0.008 31 2 . . . . 185 L MD1 . 11073 1 2369 . 1 1 187 187 LEU HD21 H 1 0.779 0.011 46 2 . . . . 185 L MD2 . 11073 1 2370 . 1 1 187 187 LEU HD22 H 1 0.779 0.011 46 2 . . . . 185 L MD2 . 11073 1 2371 . 1 1 187 187 LEU HD23 H 1 0.779 0.011 46 2 . . . . 185 L MD2 . 11073 1 2372 . 1 1 187 187 LEU HG H 1 1.636 0.012 21 1 . . . . 185 L HG . 11073 1 2373 . 1 1 187 187 LEU C C 13 178.026 0.005 2 1 . . . . 185 L C . 11073 1 2374 . 1 1 187 187 LEU CA C 13 58.565 0.085 24 1 . . . . 185 L CA . 11073 1 2375 . 1 1 187 187 LEU CB C 13 40.500 0.095 61 1 . . . . 185 L CB . 11073 1 2376 . 1 1 187 187 LEU CD1 C 13 24.461 0.126 20 2 . . . . 185 L CD1 . 11073 1 2377 . 1 1 187 187 LEU CD2 C 13 23.586 0.122 37 2 . . . . 185 L CD2 . 11073 1 2378 . 1 1 187 187 LEU CG C 13 27.691 0.109 20 1 . . . . 185 L CG . 11073 1 2379 . 1 1 187 187 LEU N N 15 126.288 0.052 39 1 . . . . 185 L N . 11073 1 2380 . 1 1 188 188 LYS H H 1 8.140 0.004 41 1 . . . . 186 K H . 11073 1 2381 . 1 1 188 188 LYS HA H 1 3.978 0.009 33 1 . . . . 186 K HA . 11073 1 2382 . 1 1 188 188 LYS HB2 H 1 1.482 0.007 10 2 . . . . 186 K HB2 . 11073 1 2383 . 1 1 188 188 LYS HB3 H 1 1.421 0.007 10 2 . . . . 186 K HB3 . 11073 1 2384 . 1 1 188 188 LYS HD2 H 1 1.620 0.013 22 2 . . . . 186 K QD . 11073 1 2385 . 1 1 188 188 LYS HD3 H 1 1.620 0.013 22 2 . . . . 186 K QD . 11073 1 2386 . 1 1 188 188 LYS HE2 H 1 2.945 0.011 23 2 . . . . 186 K QE . 11073 1 2387 . 1 1 188 188 LYS HE3 H 1 2.945 0.011 23 2 . . . . 186 K QE . 11073 1 2388 . 1 1 188 188 LYS HG2 H 1 1.382 0.008 11 2 . . . . 186 K HG2 . 11073 1 2389 . 1 1 188 188 LYS HG3 H 1 1.318 0.006 10 2 . . . . 186 K HG3 . 11073 1 2390 . 1 1 188 188 LYS C C 13 178.850 0.020 2 1 . . . . 186 K C . 11073 1 2391 . 1 1 188 188 LYS CA C 13 60.369 0.073 36 1 . . . . 186 K CA . 11073 1 2392 . 1 1 188 188 LYS CB C 13 31.779 0.083 35 1 . . . . 186 K CB . 11073 1 2393 . 1 1 188 188 LYS CD C 13 29.358 0.110 21 1 . . . . 186 K CD . 11073 1 2394 . 1 1 188 188 LYS CE C 13 41.716 0.078 31 1 . . . . 186 K CE . 11073 1 2395 . 1 1 188 188 LYS CG C 13 24.296 0.110 36 1 . . . . 186 K CG . 11073 1 2396 . 1 1 188 188 LYS N N 15 119.089 0.044 36 1 . . . . 186 K N . 11073 1 2397 . 1 1 189 189 THR H H 1 7.840 0.005 49 1 . . . . 187 T H . 11073 1 2398 . 1 1 189 189 THR HA H 1 4.144 0.012 23 1 . . . . 187 T HA . 11073 1 2399 . 1 1 189 189 THR HB H 1 4.183 0.008 15 1 . . . . 187 T HB . 11073 1 2400 . 1 1 189 189 THR HG21 H 1 1.071 0.010 39 1 . . . . 187 T MG . 11073 1 2401 . 1 1 189 189 THR HG22 H 1 1.071 0.010 39 1 . . . . 187 T MG . 11073 1 2402 . 1 1 189 189 THR HG23 H 1 1.071 0.010 39 1 . . . . 187 T MG . 11073 1 2403 . 1 1 189 189 THR C C 13 176.508 0.012 2 1 . . . . 187 T C . 11073 1 2404 . 1 1 189 189 THR CA C 13 68.006 0.095 28 1 . . . . 187 T CA . 11073 1 2405 . 1 1 189 189 THR CB C 13 67.133 0.102 17 1 . . . . 187 T CB . 11073 1 2406 . 1 1 189 189 THR CG2 C 13 22.573 0.094 38 1 . . . . 187 T CG2 . 11073 1 2407 . 1 1 189 189 THR N N 15 117.570 0.032 45 1 . . . . 187 T N . 11073 1 2408 . 1 1 190 190 LEU H H 1 7.986 0.006 36 1 . . . . 188 L H . 11073 1 2409 . 1 1 190 190 LEU HA H 1 3.994 0.009 25 1 . . . . 188 L HA . 11073 1 2410 . 1 1 190 190 LEU HB2 H 1 2.241 0.013 28 2 . . . . 188 L QB . 11073 1 2411 . 1 1 190 190 LEU HB3 H 1 2.241 0.013 28 2 . . . . 188 L QB . 11073 1 2412 . 1 1 190 190 LEU HD11 H 1 0.820 0.009 23 2 . . . . 188 L MD1 . 11073 1 2413 . 1 1 190 190 LEU HD12 H 1 0.820 0.009 23 2 . . . . 188 L MD1 . 11073 1 2414 . 1 1 190 190 LEU HD13 H 1 0.820 0.009 23 2 . . . . 188 L MD1 . 11073 1 2415 . 1 1 190 190 LEU HD21 H 1 0.741 0.008 29 2 . . . . 188 L MD2 . 11073 1 2416 . 1 1 190 190 LEU HD22 H 1 0.741 0.008 29 2 . . . . 188 L MD2 . 11073 1 2417 . 1 1 190 190 LEU HD23 H 1 0.741 0.008 29 2 . . . . 188 L MD2 . 11073 1 2418 . 1 1 190 190 LEU HG H 1 1.944 0.008 22 1 . . . . 188 L HG . 11073 1 2419 . 1 1 190 190 LEU C C 13 175.608 0.028 2 1 . . . . 188 L C . 11073 1 2420 . 1 1 190 190 LEU CA C 13 57.509 0.102 22 1 . . . . 188 L CA . 11073 1 2421 . 1 1 190 190 LEU CB C 13 41.565 0.091 27 1 . . . . 188 L CB . 11073 1 2422 . 1 1 190 190 LEU CD1 C 13 25.343 0.119 28 2 . . . . 188 L CD1 . 11073 1 2423 . 1 1 190 190 LEU CD2 C 13 23.882 0.086 31 2 . . . . 188 L CD2 . 11073 1 2424 . 1 1 190 190 LEU CG C 13 26.567 0.085 21 1 . . . . 188 L CG . 11073 1 2425 . 1 1 190 190 LEU N N 15 120.023 0.044 33 1 . . . . 188 L N . 11073 1 2426 . 1 1 191 191 ARG H H 1 7.771 0.004 42 1 . . . . 189 R H . 11073 1 2427 . 1 1 191 191 ARG HA H 1 4.436 0.010 26 1 . . . . 189 R HA . 11073 1 2428 . 1 1 191 191 ARG HB2 H 1 1.970 0.008 7 2 . . . . 189 R HB2 . 11073 1 2429 . 1 1 191 191 ARG HB3 H 1 1.899 0.006 6 2 . . . . 189 R HB3 . 11073 1 2430 . 1 1 191 191 ARG HD2 H 1 3.312 0.008 32 2 . . . . 189 R HD2 . 11073 1 2431 . 1 1 191 191 ARG HD3 H 1 3.215 0.007 35 2 . . . . 189 R HD3 . 11073 1 2432 . 1 1 191 191 ARG HE H 1 7.461 0.003 14 1 . . . . 189 R HE . 11073 1 2433 . 1 1 191 191 ARG HG2 H 1 1.774 0.011 26 2 . . . . 189 R QG . 11073 1 2434 . 1 1 191 191 ARG HG3 H 1 1.774 0.011 26 2 . . . . 189 R QG . 11073 1 2435 . 1 1 191 191 ARG C C 13 174.651 0.009 2 1 . . . . 189 R C . 11073 1 2436 . 1 1 191 191 ARG CA C 13 55.957 0.098 31 1 . . . . 189 R CA . 11073 1 2437 . 1 1 191 191 ARG CB C 13 31.503 0.095 31 1 . . . . 189 R CB . 11073 1 2438 . 1 1 191 191 ARG CD C 13 43.530 0.077 59 1 . . . . 189 R CD . 11073 1 2439 . 1 1 191 191 ARG CG C 13 28.196 0.075 22 1 . . . . 189 R CG . 11073 1 2440 . 1 1 191 191 ARG N N 15 114.508 0.035 40 1 . . . . 189 R N . 11073 1 2441 . 1 1 191 191 ARG NE N 15 83.862 0.029 12 1 . . . . 189 R NE . 11073 1 2442 . 1 1 192 192 GLN H H 1 7.494 0.003 52 1 . . . . 190 Q H . 11073 1 2443 . 1 1 192 192 GLN HA H 1 4.540 0.009 29 1 . . . . 190 Q HA . 11073 1 2444 . 1 1 192 192 GLN HB2 H 1 2.185 0.013 21 2 . . . . 190 Q QB . 11073 1 2445 . 1 1 192 192 GLN HB3 H 1 2.185 0.013 21 2 . . . . 190 Q QB . 11073 1 2446 . 1 1 192 192 GLN HE21 H 1 7.371 0.002 20 2 . . . . 190 Q HE21 . 11073 1 2447 . 1 1 192 192 GLN HE22 H 1 6.895 0.002 15 2 . . . . 190 Q HE22 . 11073 1 2448 . 1 1 192 192 GLN HG2 H 1 2.384 0.007 17 2 . . . . 190 Q HG2 . 11073 1 2449 . 1 1 192 192 GLN HG3 H 1 2.328 0.008 13 2 . . . . 190 Q HG3 . 11073 1 2450 . 1 1 192 192 GLN C C 13 175.550 0.037 2 1 . . . . 190 Q C . 11073 1 2451 . 1 1 192 192 GLN CA C 13 57.590 0.084 38 1 . . . . 190 Q CA . 11073 1 2452 . 1 1 192 192 GLN CB C 13 29.300 0.114 28 1 . . . . 190 Q CB . 11073 1 2453 . 1 1 192 192 GLN CD C 13 179.752 0.011 2 1 . . . . 190 Q CD . 11073 1 2454 . 1 1 192 192 GLN CG C 13 33.840 0.092 47 1 . . . . 190 Q CG . 11073 1 2455 . 1 1 192 192 GLN N N 15 118.334 0.039 48 1 . . . . 190 Q N . 11073 1 2456 . 1 1 192 192 GLN NE2 N 15 111.407 0.033 31 1 . . . . 190 Q NE2 . 11073 1 2457 . 1 1 193 193 ALA H H 1 8.495 0.005 31 1 . . . . 191 A H . 11073 1 2458 . 1 1 193 193 ALA HA H 1 4.188 0.010 15 1 . . . . 191 A HA . 11073 1 2459 . 1 1 193 193 ALA HB1 H 1 1.607 0.007 42 1 . . . . 191 A MB . 11073 1 2460 . 1 1 193 193 ALA HB2 H 1 1.607 0.007 42 1 . . . . 191 A MB . 11073 1 2461 . 1 1 193 193 ALA HB3 H 1 1.607 0.007 42 1 . . . . 191 A MB . 11073 1 2462 . 1 1 193 193 ALA C C 13 180.252 0.018 2 1 . . . . 191 A C . 11073 1 2463 . 1 1 193 193 ALA CA C 13 55.845 0.105 19 1 . . . . 191 A CA . 11073 1 2464 . 1 1 193 193 ALA CB C 13 18.551 0.071 46 1 . . . . 191 A CB . 11073 1 2465 . 1 1 193 193 ALA N N 15 124.328 0.038 28 1 . . . . 191 A N . 11073 1 2466 . 1 1 194 194 ALA H H 1 8.931 0.004 49 1 . . . . 192 A H . 11073 1 2467 . 1 1 194 194 ALA HA H 1 4.050 0.009 21 1 . . . . 192 A HA . 11073 1 2468 . 1 1 194 194 ALA HB1 H 1 1.496 0.009 34 1 . . . . 192 A MB . 11073 1 2469 . 1 1 194 194 ALA HB2 H 1 1.496 0.009 34 1 . . . . 192 A MB . 11073 1 2470 . 1 1 194 194 ALA HB3 H 1 1.496 0.009 34 1 . . . . 192 A MB . 11073 1 2471 . 1 1 194 194 ALA C C 13 178.351 0.001 2 1 . . . . 192 A C . 11073 1 2472 . 1 1 194 194 ALA CA C 13 55.404 0.092 22 1 . . . . 192 A CA . 11073 1 2473 . 1 1 194 194 ALA CB C 13 18.593 0.078 45 1 . . . . 192 A CB . 11073 1 2474 . 1 1 194 194 ALA N N 15 115.152 0.041 45 1 . . . . 192 A N . 11073 1 2475 . 1 1 195 195 ILE H H 1 7.084 0.004 44 1 . . . . 193 I H . 11073 1 2476 . 1 1 195 195 ILE HA H 1 3.578 0.005 32 1 . . . . 193 I HA . 11073 1 2477 . 1 1 195 195 ILE HB H 1 2.055 0.013 27 1 . . . . 193 I HB . 11073 1 2478 . 1 1 195 195 ILE HD11 H 1 0.771 0.008 55 1 . . . . 193 I MD . 11073 1 2479 . 1 1 195 195 ILE HD12 H 1 0.771 0.008 55 1 . . . . 193 I MD . 11073 1 2480 . 1 1 195 195 ILE HD13 H 1 0.771 0.008 55 1 . . . . 193 I MD . 11073 1 2481 . 1 1 195 195 ILE HG12 H 1 1.632 0.011 12 2 . . . . 193 I HG12 . 11073 1 2482 . 1 1 195 195 ILE HG13 H 1 1.182 0.007 18 2 . . . . 193 I HG13 . 11073 1 2483 . 1 1 195 195 ILE HG21 H 1 0.853 0.009 41 1 . . . . 193 I MG . 11073 1 2484 . 1 1 195 195 ILE HG22 H 1 0.853 0.009 41 1 . . . . 193 I MG . 11073 1 2485 . 1 1 195 195 ILE HG23 H 1 0.853 0.009 41 1 . . . . 193 I MG . 11073 1 2486 . 1 1 195 195 ILE C C 13 178.260 0.004 2 1 . . . . 193 I C . 11073 1 2487 . 1 1 195 195 ILE CA C 13 63.798 0.107 30 1 . . . . 193 I CA . 11073 1 2488 . 1 1 195 195 ILE CB C 13 35.477 0.091 25 1 . . . . 193 I CB . 11073 1 2489 . 1 1 195 195 ILE CD1 C 13 11.136 0.089 60 1 . . . . 193 I CD1 . 11073 1 2490 . 1 1 195 195 ILE CG1 C 13 28.309 0.120 20 1 . . . . 193 I CG1 . 11073 1 2491 . 1 1 195 195 ILE CG2 C 13 17.610 0.101 41 1 . . . . 193 I CG2 . 11073 1 2492 . 1 1 195 195 ILE N N 15 115.106 0.031 40 1 . . . . 193 I N . 11073 1 2493 . 1 1 196 196 CYS H H 1 7.941 0.005 43 1 . . . . 194 C H . 11073 1 2494 . 1 1 196 196 CYS HA H 1 4.694 0.006 30 1 . . . . 194 C HA . 11073 1 2495 . 1 1 196 196 CYS HB2 H 1 3.400 0.017 19 2 . . . . 194 C HB2 . 11073 1 2496 . 1 1 196 196 CYS HB3 H 1 3.065 0.010 15 2 . . . . 194 C HB3 . 11073 1 2497 . 1 1 196 196 CYS C C 13 176.971 0.016 2 1 . . . . 194 C C . 11073 1 2498 . 1 1 196 196 CYS CA C 13 57.579 0.104 33 1 . . . . 194 C CA . 11073 1 2499 . 1 1 196 196 CYS CB C 13 37.145 0.115 34 1 . . . . 194 C CB . 11073 1 2500 . 1 1 196 196 CYS N N 15 116.640 0.047 39 1 . . . . 194 C N . 11073 1 2501 . 1 1 197 197 LYS H H 1 8.044 0.005 47 1 . . . . 195 K H . 11073 1 2502 . 1 1 197 197 LYS HA H 1 4.329 0.008 20 1 . . . . 195 K HA . 11073 1 2503 . 1 1 197 197 LYS HB2 H 1 2.017 0.011 19 2 . . . . 195 K HB2 . 11073 1 2504 . 1 1 197 197 LYS HB3 H 1 1.907 0.009 14 2 . . . . 195 K HB3 . 11073 1 2505 . 1 1 197 197 LYS HD2 H 1 1.844 0.012 20 2 . . . . 195 K QD . 11073 1 2506 . 1 1 197 197 LYS HD3 H 1 1.844 0.012 20 2 . . . . 195 K QD . 11073 1 2507 . 1 1 197 197 LYS HE2 H 1 3.110 0.008 25 2 . . . . 195 K QE . 11073 1 2508 . 1 1 197 197 LYS HE3 H 1 3.110 0.008 25 2 . . . . 195 K QE . 11073 1 2509 . 1 1 197 197 LYS HG2 H 1 1.697 0.009 13 2 . . . . 195 K HG2 . 11073 1 2510 . 1 1 197 197 LYS HG3 H 1 1.594 0.014 20 2 . . . . 195 K HG3 . 11073 1 2511 . 1 1 197 197 LYS C C 13 178.959 0.041 2 1 . . . . 195 K C . 11073 1 2512 . 1 1 197 197 LYS CA C 13 57.807 0.084 24 1 . . . . 195 K CA . 11073 1 2513 . 1 1 197 197 LYS CB C 13 31.456 0.104 28 1 . . . . 195 K CB . 11073 1 2514 . 1 1 197 197 LYS CD C 13 27.948 0.089 22 1 . . . . 195 K CD . 11073 1 2515 . 1 1 197 197 LYS CE C 13 41.879 0.079 25 1 . . . . 195 K CE . 11073 1 2516 . 1 1 197 197 LYS CG C 13 24.579 0.136 38 1 . . . . 195 K CG . 11073 1 2517 . 1 1 197 197 LYS N N 15 121.175 0.048 43 1 . . . . 195 K N . 11073 1 2518 . 1 1 198 198 ILE H H 1 8.297 0.005 45 1 . . . . 196 I H . 11073 1 2519 . 1 1 198 198 ILE HA H 1 3.389 0.006 42 1 . . . . 196 I HA . 11073 1 2520 . 1 1 198 198 ILE HB H 1 1.762 0.009 14 1 . . . . 196 I HB . 11073 1 2521 . 1 1 198 198 ILE HD11 H 1 0.184 0.009 65 1 . . . . 196 I MD . 11073 1 2522 . 1 1 198 198 ILE HD12 H 1 0.184 0.009 65 1 . . . . 196 I MD . 11073 1 2523 . 1 1 198 198 ILE HD13 H 1 0.184 0.009 65 1 . . . . 196 I MD . 11073 1 2524 . 1 1 198 198 ILE HG12 H 1 1.607 0.009 16 2 . . . . 196 I HG12 . 11073 1 2525 . 1 1 198 198 ILE HG13 H 1 0.223 0.010 9 2 . . . . 196 I HG13 . 11073 1 2526 . 1 1 198 198 ILE HG21 H 1 0.646 0.010 35 1 . . . . 196 I MG . 11073 1 2527 . 1 1 198 198 ILE HG22 H 1 0.646 0.010 35 1 . . . . 196 I MG . 11073 1 2528 . 1 1 198 198 ILE HG23 H 1 0.646 0.010 35 1 . . . . 196 I MG . 11073 1 2529 . 1 1 198 198 ILE C C 13 177.955 0.038 2 1 . . . . 196 I C . 11073 1 2530 . 1 1 198 198 ILE CA C 13 65.736 0.098 44 1 . . . . 196 I CA . 11073 1 2531 . 1 1 198 198 ILE CB C 13 38.369 0.102 19 1 . . . . 196 I CB . 11073 1 2532 . 1 1 198 198 ILE CD1 C 13 13.217 0.103 64 1 . . . . 196 I CD1 . 11073 1 2533 . 1 1 198 198 ILE CG1 C 13 29.567 0.100 34 1 . . . . 196 I CG1 . 11073 1 2534 . 1 1 198 198 ILE CG2 C 13 17.336 0.079 36 1 . . . . 196 I CG2 . 11073 1 2535 . 1 1 198 198 ILE N N 15 122.128 0.066 43 1 . . . . 196 I N . 11073 1 2536 . 1 1 199 199 ALA H H 1 9.154 0.006 49 1 . . . . 197 A H . 11073 1 2537 . 1 1 199 199 ALA HA H 1 3.996 0.008 17 1 . . . . 197 A HA . 11073 1 2538 . 1 1 199 199 ALA HB1 H 1 1.707 0.008 40 1 . . . . 197 A MB . 11073 1 2539 . 1 1 199 199 ALA HB2 H 1 1.707 0.008 40 1 . . . . 197 A MB . 11073 1 2540 . 1 1 199 199 ALA HB3 H 1 1.707 0.008 40 1 . . . . 197 A MB . 11073 1 2541 . 1 1 199 199 ALA C C 13 178.173 0.029 2 1 . . . . 197 A C . 11073 1 2542 . 1 1 199 199 ALA CA C 13 55.832 0.108 18 1 . . . . 197 A CA . 11073 1 2543 . 1 1 199 199 ALA CB C 13 17.435 0.092 36 1 . . . . 197 A CB . 11073 1 2544 . 1 1 199 199 ALA N N 15 122.554 0.051 46 1 . . . . 197 A N . 11073 1 2545 . 1 1 200 200 GLU H H 1 8.279 0.005 33 1 . . . . 198 E H . 11073 1 2546 . 1 1 200 200 GLU HA H 1 2.213 0.006 14 1 . . . . 198 E HA . 11073 1 2547 . 1 1 200 200 GLU HB2 H 1 2.013 0.012 15 2 . . . . 198 E HB2 . 11073 1 2548 . 1 1 200 200 GLU HB3 H 1 1.923 0.009 11 2 . . . . 198 E HB3 . 11073 1 2549 . 1 1 200 200 GLU HG2 H 1 2.209 0.005 10 2 . . . . 198 E QG . 11073 1 2550 . 1 1 200 200 GLU HG3 H 1 2.209 0.005 10 2 . . . . 198 E QG . 11073 1 2551 . 1 1 200 200 GLU C C 13 177.267 0.019 2 1 . . . . 198 E C . 11073 1 2552 . 1 1 200 200 GLU CA C 13 59.584 0.057 14 1 . . . . 198 E CA . 11073 1 2553 . 1 1 200 200 GLU CB C 13 29.472 0.119 22 1 . . . . 198 E CB . 11073 1 2554 . 1 1 200 200 GLU CD C 13 184.276 . 1 1 . . . . 198 E CD . 11073 1 2555 . 1 1 200 200 GLU CG C 13 35.662 0.105 15 1 . . . . 198 E CG . 11073 1 2556 . 1 1 200 200 GLU N N 15 120.410 0.034 29 1 . . . . 198 E N . 11073 1 2557 . 1 1 201 201 ALA H H 1 7.335 0.003 42 1 . . . . 199 A H . 11073 1 2558 . 1 1 201 201 ALA HA H 1 4.085 0.009 22 1 . . . . 199 A HA . 11073 1 2559 . 1 1 201 201 ALA HB1 H 1 1.536 0.010 35 1 . . . . 199 A MB . 11073 1 2560 . 1 1 201 201 ALA HB2 H 1 1.536 0.010 35 1 . . . . 199 A MB . 11073 1 2561 . 1 1 201 201 ALA HB3 H 1 1.536 0.010 35 1 . . . . 199 A MB . 11073 1 2562 . 1 1 201 201 ALA C C 13 180.873 0.031 2 1 . . . . 199 A C . 11073 1 2563 . 1 1 201 201 ALA CA C 13 55.275 0.092 24 1 . . . . 199 A CA . 11073 1 2564 . 1 1 201 201 ALA CB C 13 17.279 0.104 36 1 . . . . 199 A CB . 11073 1 2565 . 1 1 201 201 ALA N N 15 120.473 0.017 38 1 . . . . 199 A N . 11073 1 2566 . 1 1 202 202 CYS H H 1 7.996 0.005 41 1 . . . . 200 C H . 11073 1 2567 . 1 1 202 202 CYS HA H 1 4.031 0.011 21 1 . . . . 200 C HA . 11073 1 2568 . 1 1 202 202 CYS HB2 H 1 3.662 0.010 21 2 . . . . 200 C HB2 . 11073 1 2569 . 1 1 202 202 CYS HB3 H 1 2.404 0.011 20 2 . . . . 200 C HB3 . 11073 1 2570 . 1 1 202 202 CYS C C 13 176.993 0.040 2 1 . . . . 200 C C . 11073 1 2571 . 1 1 202 202 CYS CA C 13 62.759 0.111 25 1 . . . . 200 C CA . 11073 1 2572 . 1 1 202 202 CYS CB C 13 26.536 0.091 36 1 . . . . 200 C CB . 11073 1 2573 . 1 1 202 202 CYS N N 15 116.436 0.059 38 1 . . . . 200 C N . 11073 1 2574 . 1 1 203 203 TYR H H 1 8.626 0.005 40 1 . . . . 201 Y H . 11073 1 2575 . 1 1 203 203 TYR HA H 1 3.883 0.009 12 1 . . . . 201 Y HA . 11073 1 2576 . 1 1 203 203 TYR HB2 H 1 2.743 0.011 8 2 . . . . 201 Y HB2 . 11073 1 2577 . 1 1 203 203 TYR HB3 H 1 2.541 0.005 5 2 . . . . 201 Y HB3 . 11073 1 2578 . 1 1 203 203 TYR HD1 H 1 7.194 0.013 6 3 . . . . 201 Y QD . 11073 1 2579 . 1 1 203 203 TYR HD2 H 1 7.194 0.013 6 3 . . . . 201 Y QD . 11073 1 2580 . 1 1 203 203 TYR HE1 H 1 6.706 0.008 38 3 . . . . 201 Y QE . 11073 1 2581 . 1 1 203 203 TYR HE2 H 1 6.706 0.008 38 3 . . . . 201 Y QE . 11073 1 2582 . 1 1 203 203 TYR C C 13 178.403 0.051 2 1 . . . . 201 Y C . 11073 1 2583 . 1 1 203 203 TYR CA C 13 63.262 0.090 12 1 . . . . 201 Y CA . 11073 1 2584 . 1 1 203 203 TYR CB C 13 37.689 0.117 20 1 . . . . 201 Y CB . 11073 1 2585 . 1 1 203 203 TYR CD1 C 13 132.402 0.134 7 3 . . . . 201 Y CD1 . 11073 1 2586 . 1 1 203 203 TYR CD2 C 13 132.402 0.134 7 3 . . . . 201 Y CD2 . 11073 1 2587 . 1 1 203 203 TYR CE1 C 13 116.678 0.078 33 3 . . . . 201 Y CE1 . 11073 1 2588 . 1 1 203 203 TYR CE2 C 13 116.678 0.078 33 3 . . . . 201 Y CE2 . 11073 1 2589 . 1 1 203 203 TYR N N 15 119.225 0.039 36 1 . . . . 201 Y N . 11073 1 2590 . 1 1 204 204 ILE H H 1 8.528 0.005 29 1 . . . . 202 I H . 11073 1 2591 . 1 1 204 204 ILE HA H 1 3.963 0.005 24 1 . . . . 202 I HA . 11073 1 2592 . 1 1 204 204 ILE HB H 1 2.088 0.006 28 1 . . . . 202 I HB . 11073 1 2593 . 1 1 204 204 ILE HD11 H 1 0.946 0.005 36 1 . . . . 202 I MD . 11073 1 2594 . 1 1 204 204 ILE HD12 H 1 0.946 0.005 36 1 . . . . 202 I MD . 11073 1 2595 . 1 1 204 204 ILE HD13 H 1 0.946 0.005 36 1 . . . . 202 I MD . 11073 1 2596 . 1 1 204 204 ILE HG12 H 1 1.921 0.009 20 2 . . . . 202 I HG12 . 11073 1 2597 . 1 1 204 204 ILE HG13 H 1 1.274 0.009 19 2 . . . . 202 I HG13 . 11073 1 2598 . 1 1 204 204 ILE HG21 H 1 1.143 0.006 39 1 . . . . 202 I MG . 11073 1 2599 . 1 1 204 204 ILE HG22 H 1 1.143 0.006 39 1 . . . . 202 I MG . 11073 1 2600 . 1 1 204 204 ILE HG23 H 1 1.143 0.006 39 1 . . . . 202 I MG . 11073 1 2601 . 1 1 204 204 ILE C C 13 180.315 0.006 2 1 . . . . 202 I C . 11073 1 2602 . 1 1 204 204 ILE CA C 13 65.729 0.073 25 1 . . . . 202 I CA . 11073 1 2603 . 1 1 204 204 ILE CB C 13 37.876 0.079 30 1 . . . . 202 I CB . 11073 1 2604 . 1 1 204 204 ILE CD1 C 13 13.508 0.059 31 1 . . . . 202 I CD1 . 11073 1 2605 . 1 1 204 204 ILE CG1 C 13 29.115 0.097 27 1 . . . . 202 I CG1 . 11073 1 2606 . 1 1 204 204 ILE CG2 C 13 16.942 0.091 36 1 . . . . 202 I CG2 . 11073 1 2607 . 1 1 204 204 ILE N N 15 123.309 0.076 26 1 . . . . 202 I N . 11073 1 2608 . 1 1 205 205 SER H H 1 7.319 0.004 35 1 . . . . 203 S H . 11073 1 2609 . 1 1 205 205 SER HA H 1 4.548 0.010 12 1 . . . . 203 S HA . 11073 1 2610 . 1 1 205 205 SER HB2 H 1 4.287 0.009 11 2 . . . . 203 S HB2 . 11073 1 2611 . 1 1 205 205 SER HB3 H 1 3.912 0.011 13 2 . . . . 203 S HB3 . 11073 1 2612 . 1 1 205 205 SER C C 13 174.975 . 1 1 . . . . 203 S C . 11073 1 2613 . 1 1 205 205 SER CA C 13 63.369 0.102 18 1 . . . . 203 S CA . 11073 1 2614 . 1 1 205 205 SER CB C 13 62.798 0.109 23 1 . . . . 203 S CB . 11073 1 2615 . 1 1 205 205 SER N N 15 117.951 0.069 33 1 . . . . 203 S N . 11073 1 2616 . 1 1 206 206 VAL H H 1 7.850 0.005 32 1 . . . . 204 V H . 11073 1 2617 . 1 1 206 206 VAL HA H 1 3.543 0.008 26 1 . . . . 204 V HA . 11073 1 2618 . 1 1 206 206 VAL HB H 1 2.196 0.012 20 1 . . . . 204 V HB . 11073 1 2619 . 1 1 206 206 VAL HG11 H 1 0.807 0.009 39 2 . . . . 204 V MG1 . 11073 1 2620 . 1 1 206 206 VAL HG12 H 1 0.807 0.009 39 2 . . . . 204 V MG1 . 11073 1 2621 . 1 1 206 206 VAL HG13 H 1 0.807 0.009 39 2 . . . . 204 V MG1 . 11073 1 2622 . 1 1 206 206 VAL HG21 H 1 1.016 0.009 24 2 . . . . 204 V MG2 . 11073 1 2623 . 1 1 206 206 VAL HG22 H 1 1.016 0.009 24 2 . . . . 204 V MG2 . 11073 1 2624 . 1 1 206 206 VAL HG23 H 1 1.016 0.009 24 2 . . . . 204 V MG2 . 11073 1 2625 . 1 1 206 206 VAL C C 13 179.124 0.029 2 1 . . . . 204 V C . 11073 1 2626 . 1 1 206 206 VAL CA C 13 66.649 0.108 25 1 . . . . 204 V CA . 11073 1 2627 . 1 1 206 206 VAL CB C 13 32.162 0.092 21 1 . . . . 204 V CB . 11073 1 2628 . 1 1 206 206 VAL CG1 C 13 23.079 0.124 34 2 . . . . 204 V CG1 . 11073 1 2629 . 1 1 206 206 VAL CG2 C 13 20.178 0.129 21 2 . . . . 204 V CG2 . 11073 1 2630 . 1 1 206 206 VAL N N 15 121.281 0.032 30 1 . . . . 204 V N . 11073 1 2631 . 1 1 207 207 VAL H H 1 8.890 0.004 36 1 . . . . 205 V H . 11073 1 2632 . 1 1 207 207 VAL HA H 1 3.554 0.009 26 1 . . . . 205 V HA . 11073 1 2633 . 1 1 207 207 VAL HB H 1 2.136 0.009 18 1 . . . . 205 V HB . 11073 1 2634 . 1 1 207 207 VAL HG11 H 1 1.222 0.009 39 2 . . . . 205 V MG1 . 11073 1 2635 . 1 1 207 207 VAL HG12 H 1 1.222 0.009 39 2 . . . . 205 V MG1 . 11073 1 2636 . 1 1 207 207 VAL HG13 H 1 1.222 0.009 39 2 . . . . 205 V MG1 . 11073 1 2637 . 1 1 207 207 VAL HG21 H 1 0.629 0.006 37 2 . . . . 205 V MG2 . 11073 1 2638 . 1 1 207 207 VAL HG22 H 1 0.629 0.006 37 2 . . . . 205 V MG2 . 11073 1 2639 . 1 1 207 207 VAL HG23 H 1 0.629 0.006 37 2 . . . . 205 V MG2 . 11073 1 2640 . 1 1 207 207 VAL C C 13 177.185 0.003 2 1 . . . . 205 V C . 11073 1 2641 . 1 1 207 207 VAL CA C 13 66.378 0.128 26 1 . . . . 205 V CA . 11073 1 2642 . 1 1 207 207 VAL CB C 13 30.313 0.095 15 1 . . . . 205 V CB . 11073 1 2643 . 1 1 207 207 VAL CG1 C 13 25.149 0.098 34 2 . . . . 205 V CG1 . 11073 1 2644 . 1 1 207 207 VAL CG2 C 13 22.287 0.071 36 2 . . . . 205 V CG2 . 11073 1 2645 . 1 1 207 207 VAL N N 15 119.215 0.037 32 1 . . . . 205 V N . 11073 1 2646 . 1 1 208 208 HIS H H 1 8.489 0.003 45 1 . . . . 206 H H . 11073 1 2647 . 1 1 208 208 HIS HA H 1 3.749 0.010 20 1 . . . . 206 H HA . 11073 1 2648 . 1 1 208 208 HIS HB2 H 1 3.050 0.009 15 2 . . . . 206 H HB2 . 11073 1 2649 . 1 1 208 208 HIS HB3 H 1 2.775 0.010 15 2 . . . . 206 H HB3 . 11073 1 2650 . 1 1 208 208 HIS HD2 H 1 6.564 0.008 16 1 . . . . 206 H HD2 . 11073 1 2651 . 1 1 208 208 HIS HE1 H 1 8.256 0.005 7 1 . . . . 206 H HE1 . 11073 1 2652 . 1 1 208 208 HIS C C 13 176.093 0.003 2 1 . . . . 206 H C . 11073 1 2653 . 1 1 208 208 HIS CA C 13 60.112 0.094 21 1 . . . . 206 H CA . 11073 1 2654 . 1 1 208 208 HIS CB C 13 26.946 0.105 30 1 . . . . 206 H CB . 11073 1 2655 . 1 1 208 208 HIS CD2 C 13 120.223 0.092 16 1 . . . . 206 H CD2 . 11073 1 2656 . 1 1 208 208 HIS CE1 C 13 134.359 0.078 9 1 . . . . 206 H CE1 . 11073 1 2657 . 1 1 208 208 HIS N N 15 121.200 0.054 42 1 . . . . 206 H N . 11073 1 2658 . 1 1 209 209 ASN H H 1 7.614 0.005 46 1 . . . . 207 N H . 11073 1 2659 . 1 1 209 209 ASN HA H 1 4.423 0.007 17 1 . . . . 207 N HA . 11073 1 2660 . 1 1 209 209 ASN HB2 H 1 3.181 0.012 15 2 . . . . 207 N HB2 . 11073 1 2661 . 1 1 209 209 ASN HB3 H 1 2.736 0.009 10 2 . . . . 207 N HB3 . 11073 1 2662 . 1 1 209 209 ASN HD21 H 1 8.925 0.007 6 2 . . . . 207 N HD21 . 11073 1 2663 . 1 1 209 209 ASN HD22 H 1 8.628 0.006 13 2 . . . . 207 N HD22 . 11073 1 2664 . 1 1 209 209 ASN C C 13 178.812 0.005 2 1 . . . . 207 N C . 11073 1 2665 . 1 1 209 209 ASN CA C 13 55.252 0.114 15 1 . . . . 207 N CA . 11073 1 2666 . 1 1 209 209 ASN CB C 13 36.986 0.133 21 1 . . . . 207 N CB . 11073 1 2667 . 1 1 209 209 ASN N N 15 117.796 0.029 42 1 . . . . 207 N N . 11073 1 2668 . 1 1 209 209 ASN ND2 N 15 113.919 0.038 16 1 . . . . 207 N ND2 . 11073 1 2669 . 1 1 210 210 ILE H H 1 7.532 0.004 32 1 . . . . 208 I H . 11073 1 2670 . 1 1 210 210 ILE HA H 1 3.398 0.010 21 1 . . . . 208 I HA . 11073 1 2671 . 1 1 210 210 ILE HB H 1 1.822 0.010 16 1 . . . . 208 I HB . 11073 1 2672 . 1 1 210 210 ILE HD11 H 1 0.694 0.015 31 1 . . . . 208 I MD . 11073 1 2673 . 1 1 210 210 ILE HD12 H 1 0.694 0.015 31 1 . . . . 208 I MD . 11073 1 2674 . 1 1 210 210 ILE HD13 H 1 0.694 0.015 31 1 . . . . 208 I MD . 11073 1 2675 . 1 1 210 210 ILE HG12 H 1 2.007 0.010 11 2 . . . . 208 I HG12 . 11073 1 2676 . 1 1 210 210 ILE HG13 H 1 0.762 0.010 6 2 . . . . 208 I HG13 . 11073 1 2677 . 1 1 210 210 ILE HG21 H 1 0.560 0.010 41 1 . . . . 208 I MG . 11073 1 2678 . 1 1 210 210 ILE HG22 H 1 0.560 0.010 41 1 . . . . 208 I MG . 11073 1 2679 . 1 1 210 210 ILE HG23 H 1 0.560 0.010 41 1 . . . . 208 I MG . 11073 1 2680 . 1 1 210 210 ILE C C 13 176.534 0.028 2 1 . . . . 208 I C . 11073 1 2681 . 1 1 210 210 ILE CA C 13 66.797 0.107 24 1 . . . . 208 I CA . 11073 1 2682 . 1 1 210 210 ILE CB C 13 37.990 0.092 17 1 . . . . 208 I CB . 11073 1 2683 . 1 1 210 210 ILE CD1 C 13 12.671 0.079 39 1 . . . . 208 I CD1 . 11073 1 2684 . 1 1 210 210 ILE CG1 C 13 28.516 0.129 17 1 . . . . 208 I CG1 . 11073 1 2685 . 1 1 210 210 ILE CG2 C 13 17.310 0.104 37 1 . . . . 208 I CG2 . 11073 1 2686 . 1 1 210 210 ILE N N 15 124.187 0.029 30 1 . . . . 208 I N . 11073 1 2687 . 1 1 211 211 ARG H H 1 8.316 0.006 38 1 . . . . 209 R H . 11073 1 2688 . 1 1 211 211 ARG HA H 1 3.480 0.011 28 1 . . . . 209 R HA . 11073 1 2689 . 1 1 211 211 ARG HB2 H 1 1.809 0.007 4 2 . . . . 209 R HB2 . 11073 1 2690 . 1 1 211 211 ARG HB3 H 1 1.404 0.012 9 2 . . . . 209 R HB3 . 11073 1 2691 . 1 1 211 211 ARG HD2 H 1 3.377 0.007 6 2 . . . . 209 R HD2 . 11073 1 2692 . 1 1 211 211 ARG HD3 H 1 3.174 0.010 7 2 . . . . 209 R HD3 . 11073 1 2693 . 1 1 211 211 ARG HE H 1 6.143 0.006 13 1 . . . . 209 R HE . 11073 1 2694 . 1 1 211 211 ARG HG2 H 1 1.680 0.015 6 2 . . . . 209 R QG . 11073 1 2695 . 1 1 211 211 ARG HG3 H 1 1.680 0.015 6 2 . . . . 209 R QG . 11073 1 2696 . 1 1 211 211 ARG C C 13 178.360 0.006 2 1 . . . . 209 R C . 11073 1 2697 . 1 1 211 211 ARG CA C 13 59.691 0.095 32 1 . . . . 209 R CA . 11073 1 2698 . 1 1 211 211 ARG CB C 13 30.031 0.134 11 1 . . . . 209 R CB . 11073 1 2699 . 1 1 211 211 ARG CD C 13 43.371 0.113 12 1 . . . . 209 R CD . 11073 1 2700 . 1 1 211 211 ARG CG C 13 28.045 0.095 10 1 . . . . 209 R CG . 11073 1 2701 . 1 1 211 211 ARG N N 15 121.049 0.041 34 1 . . . . 209 R N . 11073 1 2702 . 1 1 211 211 ARG NE N 15 82.998 0.031 12 1 . . . . 209 R NE . 11073 1 2703 . 1 1 212 212 ALA H H 1 9.008 0.005 31 1 . . . . 210 A H . 11073 1 2704 . 1 1 212 212 ALA HA H 1 3.999 0.008 28 1 . . . . 210 A HA . 11073 1 2705 . 1 1 212 212 ALA HB1 H 1 1.235 0.009 38 1 . . . . 210 A MB . 11073 1 2706 . 1 1 212 212 ALA HB2 H 1 1.235 0.009 38 1 . . . . 210 A MB . 11073 1 2707 . 1 1 212 212 ALA HB3 H 1 1.235 0.009 38 1 . . . . 210 A MB . 11073 1 2708 . 1 1 212 212 ALA C C 13 181.415 0.002 2 1 . . . . 210 A C . 11073 1 2709 . 1 1 212 212 ALA CA C 13 54.684 0.080 26 1 . . . . 210 A CA . 11073 1 2710 . 1 1 212 212 ALA CB C 13 18.797 0.089 38 1 . . . . 210 A CB . 11073 1 2711 . 1 1 212 212 ALA N N 15 120.832 0.055 27 1 . . . . 210 A N . 11073 1 2712 . 1 1 213 213 SER H H 1 8.130 0.005 28 1 . . . . 211 S H . 11073 1 2713 . 1 1 213 213 SER HA H 1 4.011 0.009 19 1 . . . . 211 S HA . 11073 1 2714 . 1 1 213 213 SER C C 13 175.747 . 1 1 . . . . 211 S C . 11073 1 2715 . 1 1 213 213 SER CA C 13 62.675 0.136 21 1 . . . . 211 S CA . 11073 1 2716 . 1 1 213 213 SER CB C 13 62.323 . 1 1 . . . . 211 S CB . 11073 1 2717 . 1 1 213 213 SER N N 15 115.384 0.047 24 1 . . . . 211 S N . 11073 1 2718 . 1 1 214 214 ALA H H 1 8.392 0.005 39 1 . . . . 212 A H . 11073 1 2719 . 1 1 214 214 ALA HA H 1 4.656 0.009 23 1 . . . . 212 A HA . 11073 1 2720 . 1 1 214 214 ALA HB1 H 1 1.522 0.008 36 1 . . . . 212 A MB . 11073 1 2721 . 1 1 214 214 ALA HB2 H 1 1.522 0.008 36 1 . . . . 212 A MB . 11073 1 2722 . 1 1 214 214 ALA HB3 H 1 1.522 0.008 36 1 . . . . 212 A MB . 11073 1 2723 . 1 1 214 214 ALA C C 13 178.530 0.004 2 1 . . . . 212 A C . 11073 1 2724 . 1 1 214 214 ALA CA C 13 53.535 0.121 25 1 . . . . 212 A CA . 11073 1 2725 . 1 1 214 214 ALA CB C 13 17.666 0.091 48 1 . . . . 212 A CB . 11073 1 2726 . 1 1 214 214 ALA N N 15 124.481 0.061 36 1 . . . . 212 A N . 11073 1 2727 . 1 1 215 215 LYS H H 1 7.349 0.004 35 1 . . . . 213 K H . 11073 1 2728 . 1 1 215 215 LYS HA H 1 4.157 0.011 20 1 . . . . 213 K HA . 11073 1 2729 . 1 1 215 215 LYS HB2 H 1 1.903 0.009 19 2 . . . . 213 K QB . 11073 1 2730 . 1 1 215 215 LYS HB3 H 1 1.903 0.009 19 2 . . . . 213 K QB . 11073 1 2731 . 1 1 215 215 LYS HD2 H 1 1.691 0.010 23 2 . . . . 213 K QD . 11073 1 2732 . 1 1 215 215 LYS HD3 H 1 1.691 0.010 23 2 . . . . 213 K QD . 11073 1 2733 . 1 1 215 215 LYS HE2 H 1 2.977 0.013 18 2 . . . . 213 K QE . 11073 1 2734 . 1 1 215 215 LYS HE3 H 1 2.977 0.013 18 2 . . . . 213 K QE . 11073 1 2735 . 1 1 215 215 LYS HG2 H 1 1.668 0.013 14 2 . . . . 213 K HG2 . 11073 1 2736 . 1 1 215 215 LYS HG3 H 1 1.447 0.013 15 2 . . . . 213 K HG3 . 11073 1 2737 . 1 1 215 215 LYS C C 13 177.284 . 1 1 . . . . 213 K C . 11073 1 2738 . 1 1 215 215 LYS CA C 13 58.312 0.114 22 1 . . . . 213 K CA . 11073 1 2739 . 1 1 215 215 LYS CB C 13 32.852 0.101 17 1 . . . . 213 K CB . 11073 1 2740 . 1 1 215 215 LYS CD C 13 29.074 0.137 22 1 . . . . 213 K CD . 11073 1 2741 . 1 1 215 215 LYS CE C 13 41.801 0.093 27 1 . . . . 213 K CE . 11073 1 2742 . 1 1 215 215 LYS CG C 13 24.922 0.097 23 1 . . . . 213 K CG . 11073 1 2743 . 1 1 215 215 LYS N N 15 116.096 0.041 31 1 . . . . 213 K N . 11073 1 2744 . 1 1 216 216 ILE H H 1 7.003 0.005 44 1 . . . . 214 I H . 11073 1 2745 . 1 1 216 216 ILE HA H 1 4.159 0.007 23 1 . . . . 214 I HA . 11073 1 2746 . 1 1 216 216 ILE HB H 1 1.789 0.007 32 1 . . . . 214 I HB . 11073 1 2747 . 1 1 216 216 ILE HD11 H 1 0.470 0.005 49 1 . . . . 214 I MD . 11073 1 2748 . 1 1 216 216 ILE HD12 H 1 0.470 0.005 49 1 . . . . 214 I MD . 11073 1 2749 . 1 1 216 216 ILE HD13 H 1 0.470 0.005 49 1 . . . . 214 I MD . 11073 1 2750 . 1 1 216 216 ILE HG12 H 1 1.270 0.008 34 2 . . . . 214 I QG . 11073 1 2751 . 1 1 216 216 ILE HG13 H 1 1.270 0.008 34 2 . . . . 214 I QG . 11073 1 2752 . 1 1 216 216 ILE HG21 H 1 0.657 0.007 27 1 . . . . 214 I MG . 11073 1 2753 . 1 1 216 216 ILE HG22 H 1 0.657 0.007 27 1 . . . . 214 I MG . 11073 1 2754 . 1 1 216 216 ILE HG23 H 1 0.657 0.007 27 1 . . . . 214 I MG . 11073 1 2755 . 1 1 216 216 ILE C C 13 176.577 0.008 2 1 . . . . 214 I C . 11073 1 2756 . 1 1 216 216 ILE CA C 13 60.997 0.060 23 1 . . . . 214 I CA . 11073 1 2757 . 1 1 216 216 ILE CB C 13 39.042 0.097 27 1 . . . . 214 I CB . 11073 1 2758 . 1 1 216 216 ILE CD1 C 13 12.048 0.069 51 1 . . . . 214 I CD1 . 11073 1 2759 . 1 1 216 216 ILE CG1 C 13 26.582 0.104 28 1 . . . . 214 I CG1 . 11073 1 2760 . 1 1 216 216 ILE CG2 C 13 17.570 0.053 25 1 . . . . 214 I CG2 . 11073 1 2761 . 1 1 216 216 ILE N N 15 112.822 0.072 40 1 . . . . 214 I N . 11073 1 2762 . 1 1 217 217 LEU H H 1 8.347 0.003 41 1 . . . . 215 L H . 11073 1 2763 . 1 1 217 217 LEU HA H 1 4.801 0.009 17 1 . . . . 215 L HA . 11073 1 2764 . 1 1 217 217 LEU HB2 H 1 1.811 0.012 9 2 . . . . 215 L HB2 . 11073 1 2765 . 1 1 217 217 LEU HB3 H 1 1.325 0.011 8 2 . . . . 215 L HB3 . 11073 1 2766 . 1 1 217 217 LEU HD11 H 1 0.621 0.007 51 2 . . . . 215 L MD1 . 11073 1 2767 . 1 1 217 217 LEU HD12 H 1 0.621 0.007 51 2 . . . . 215 L MD1 . 11073 1 2768 . 1 1 217 217 LEU HD13 H 1 0.621 0.007 51 2 . . . . 215 L MD1 . 11073 1 2769 . 1 1 217 217 LEU HD21 H 1 0.827 0.006 34 2 . . . . 215 L MD2 . 11073 1 2770 . 1 1 217 217 LEU HD22 H 1 0.827 0.006 34 2 . . . . 215 L MD2 . 11073 1 2771 . 1 1 217 217 LEU HD23 H 1 0.827 0.006 34 2 . . . . 215 L MD2 . 11073 1 2772 . 1 1 217 217 LEU HG H 1 1.717 0.007 17 1 . . . . 215 L HG . 11073 1 2773 . 1 1 217 217 LEU C C 13 174.761 . 1 1 . . . . 215 L C . 11073 1 2774 . 1 1 217 217 LEU CA C 13 52.389 0.080 20 1 . . . . 215 L CA . 11073 1 2775 . 1 1 217 217 LEU CB C 13 41.889 0.096 20 1 . . . . 215 L CB . 11073 1 2776 . 1 1 217 217 LEU CD1 C 13 25.688 0.102 42 2 . . . . 215 L CD1 . 11073 1 2777 . 1 1 217 217 LEU CD2 C 13 22.787 0.097 32 2 . . . . 215 L CD2 . 11073 1 2778 . 1 1 217 217 LEU CG C 13 26.965 0.132 13 1 . . . . 215 L CG . 11073 1 2779 . 1 1 217 217 LEU N N 15 123.223 0.046 39 1 . . . . 215 L N . 11073 1 2780 . 1 1 218 218 PRO HA H 1 3.861 0.009 27 1 . . . . 216 P HA . 11073 1 2781 . 1 1 218 218 PRO HB2 H 1 1.953 0.009 13 2 . . . . 216 P HB2 . 11073 1 2782 . 1 1 218 218 PRO HB3 H 1 2.177 0.006 14 2 . . . . 216 P HB3 . 11073 1 2783 . 1 1 218 218 PRO HD2 H 1 3.675 0.011 16 2 . . . . 216 P QD . 11073 1 2784 . 1 1 218 218 PRO HD3 H 1 3.675 0.011 16 2 . . . . 216 P QD . 11073 1 2785 . 1 1 218 218 PRO HG2 H 1 2.054 0.010 16 2 . . . . 216 P QG . 11073 1 2786 . 1 1 218 218 PRO HG3 H 1 2.054 0.010 16 2 . . . . 216 P QG . 11073 1 2787 . 1 1 218 218 PRO C C 13 177.026 0.021 2 1 . . . . 216 P C . 11073 1 2788 . 1 1 218 218 PRO CA C 13 62.067 0.101 24 1 . . . . 216 P CA . 11073 1 2789 . 1 1 218 218 PRO CB C 13 31.859 0.116 21 1 . . . . 216 P CB . 11073 1 2790 . 1 1 218 218 PRO CD C 13 50.274 0.092 20 1 . . . . 216 P CD . 11073 1 2791 . 1 1 218 218 PRO CG C 13 27.510 0.104 17 1 . . . . 216 P CG . 11073 1 2792 . 1 1 219 219 ALA H H 1 8.810 0.004 28 1 . . . . 217 A H . 11073 1 2793 . 1 1 219 219 ALA HA H 1 4.286 0.008 22 1 . . . . 217 A HA . 11073 1 2794 . 1 1 219 219 ALA HB1 H 1 0.680 0.011 29 1 . . . . 217 A MB . 11073 1 2795 . 1 1 219 219 ALA HB2 H 1 0.680 0.011 29 1 . . . . 217 A MB . 11073 1 2796 . 1 1 219 219 ALA HB3 H 1 0.680 0.011 29 1 . . . . 217 A MB . 11073 1 2797 . 1 1 219 219 ALA C C 13 179.274 0.008 2 1 . . . . 217 A C . 11073 1 2798 . 1 1 219 219 ALA CA C 13 55.570 0.083 27 1 . . . . 217 A CA . 11073 1 2799 . 1 1 219 219 ALA CB C 13 17.537 0.082 36 1 . . . . 217 A CB . 11073 1 2800 . 1 1 219 219 ALA N N 15 126.695 0.041 25 1 . . . . 217 A N . 11073 1 2801 . 1 1 220 220 SER H H 1 8.257 0.003 32 1 . . . . 218 S H . 11073 1 2802 . 1 1 220 220 SER HA H 1 4.649 0.011 23 1 . . . . 218 S HA . 11073 1 2803 . 1 1 220 220 SER HB2 H 1 4.105 0.013 9 2 . . . . 218 S HB2 . 11073 1 2804 . 1 1 220 220 SER HB3 H 1 3.868 0.012 11 2 . . . . 218 S HB3 . 11073 1 2805 . 1 1 220 220 SER C C 13 174.896 0.041 2 1 . . . . 218 S C . 11073 1 2806 . 1 1 220 220 SER CA C 13 59.057 0.067 20 1 . . . . 218 S CA . 11073 1 2807 . 1 1 220 220 SER CB C 13 62.469 0.101 15 1 . . . . 218 S CB . 11073 1 2808 . 1 1 220 220 SER N N 15 110.423 0.042 29 1 . . . . 218 S N . 11073 1 2809 . 1 1 221 221 SER H H 1 8.003 0.005 39 1 . . . . 219 S H . 11073 1 2810 . 1 1 221 221 SER HA H 1 4.162 0.007 14 1 . . . . 219 S HA . 11073 1 2811 . 1 1 221 221 SER HB2 H 1 3.676 0.008 28 2 . . . . 219 S HB2 . 11073 1 2812 . 1 1 221 221 SER HB3 H 1 3.566 0.010 19 2 . . . . 219 S HB3 . 11073 1 2813 . 1 1 221 221 SER C C 13 171.879 0.010 2 1 . . . . 219 S C . 11073 1 2814 . 1 1 221 221 SER CA C 13 61.110 0.063 15 1 . . . . 219 S CA . 11073 1 2815 . 1 1 221 221 SER CB C 13 62.755 0.087 42 1 . . . . 219 S CB . 11073 1 2816 . 1 1 221 221 SER N N 15 117.533 0.051 35 1 . . . . 219 S N . 11073 1 2817 . 1 1 222 222 PHE H H 1 7.547 0.006 30 1 . . . . 220 F H . 11073 1 2818 . 1 1 222 222 PHE HA H 1 4.096 0.013 19 1 . . . . 220 F HA . 11073 1 2819 . 1 1 222 222 PHE HB2 H 1 3.181 0.012 17 2 . . . . 220 F HB2 . 11073 1 2820 . 1 1 222 222 PHE HB3 H 1 2.076 0.006 11 2 . . . . 220 F HB3 . 11073 1 2821 . 1 1 222 222 PHE HD1 H 1 7.124 0.019 28 3 . . . . 220 F QD . 11073 1 2822 . 1 1 222 222 PHE HD2 H 1 7.124 0.019 28 3 . . . . 220 F QD . 11073 1 2823 . 1 1 222 222 PHE HE1 H 1 6.846 0.011 21 3 . . . . 220 F QE . 11073 1 2824 . 1 1 222 222 PHE HE2 H 1 6.846 0.011 21 3 . . . . 220 F QE . 11073 1 2825 . 1 1 222 222 PHE HZ H 1 6.950 0.011 17 1 . . . . 220 F HZ . 11073 1 2826 . 1 1 222 222 PHE C C 13 175.723 0.005 2 1 . . . . 220 F C . 11073 1 2827 . 1 1 222 222 PHE CA C 13 58.848 0.109 19 1 . . . . 220 F CA . 11073 1 2828 . 1 1 222 222 PHE CB C 13 40.947 0.095 19 1 . . . . 220 F CB . 11073 1 2829 . 1 1 222 222 PHE CD1 C 13 131.968 0.131 30 3 . . . . 220 F CD1 . 11073 1 2830 . 1 1 222 222 PHE CD2 C 13 131.968 0.131 30 3 . . . . 220 F CD2 . 11073 1 2831 . 1 1 222 222 PHE CE1 C 13 129.987 0.149 19 3 . . . . 220 F CE1 . 11073 1 2832 . 1 1 222 222 PHE CE2 C 13 129.987 0.149 19 3 . . . . 220 F CE2 . 11073 1 2833 . 1 1 222 222 PHE CZ C 13 128.903 0.139 12 1 . . . . 220 F CZ . 11073 1 2834 . 1 1 222 222 PHE N N 15 114.246 0.046 26 1 . . . . 220 F N . 11073 1 2835 . 1 1 223 223 PHE H H 1 7.143 0.006 45 1 . . . . 221 F H . 11073 1 2836 . 1 1 223 223 PHE HA H 1 6.146 0.008 32 1 . . . . 221 F HA . 11073 1 2837 . 1 1 223 223 PHE HB2 H 1 3.205 0.008 23 2 . . . . 221 F HB2 . 11073 1 2838 . 1 1 223 223 PHE HB3 H 1 2.604 0.008 21 2 . . . . 221 F HB3 . 11073 1 2839 . 1 1 223 223 PHE HD1 H 1 7.178 0.010 33 3 . . . . 221 F QD . 11073 1 2840 . 1 1 223 223 PHE HD2 H 1 7.178 0.010 33 3 . . . . 221 F QD . 11073 1 2841 . 1 1 223 223 PHE C C 13 175.070 0.014 2 1 . . . . 221 F C . 11073 1 2842 . 1 1 223 223 PHE CA C 13 54.889 0.090 37 1 . . . . 221 F CA . 11073 1 2843 . 1 1 223 223 PHE CB C 13 43.731 0.125 39 1 . . . . 221 F CB . 11073 1 2844 . 1 1 223 223 PHE CD1 C 13 132.172 0.152 35 3 . . . . 221 F CD1 . 11073 1 2845 . 1 1 223 223 PHE CD2 C 13 132.172 0.152 35 3 . . . . 221 F CD2 . 11073 1 2846 . 1 1 223 223 PHE N N 15 111.122 0.052 40 1 . . . . 221 F N . 11073 1 2847 . 1 1 224 224 GLU H H 1 7.970 0.008 35 1 . . . . 222 E H . 11073 1 2848 . 1 1 224 224 GLU HA H 1 4.370 0.005 18 1 . . . . 222 E HA . 11073 1 2849 . 1 1 224 224 GLU HB2 H 1 1.975 0.009 7 2 . . . . 222 E HB2 . 11073 1 2850 . 1 1 224 224 GLU HB3 H 1 1.861 0.007 10 2 . . . . 222 E HB3 . 11073 1 2851 . 1 1 224 224 GLU HG2 H 1 2.079 0.007 29 2 . . . . 222 E QG . 11073 1 2852 . 1 1 224 224 GLU HG3 H 1 2.079 0.007 29 2 . . . . 222 E QG . 11073 1 2853 . 1 1 224 224 GLU C C 13 175.903 0.006 2 1 . . . . 222 E C . 11073 1 2854 . 1 1 224 224 GLU CA C 13 56.174 0.122 19 1 . . . . 222 E CA . 11073 1 2855 . 1 1 224 224 GLU CB C 13 31.430 0.102 17 1 . . . . 222 E CB . 11073 1 2856 . 1 1 224 224 GLU CD C 13 182.150 . 1 1 . . . . 222 E CD . 11073 1 2857 . 1 1 224 224 GLU CG C 13 36.018 0.108 31 1 . . . . 222 E CG . 11073 1 2858 . 1 1 224 224 GLU N N 15 119.895 0.078 32 1 . . . . 222 E N . 11073 1 2859 . 1 1 225 225 ASN H H 1 8.426 0.005 41 1 . . . . 223 N H . 11073 1 2860 . 1 1 225 225 ASN HA H 1 4.725 0.009 14 1 . . . . 223 N HA . 11073 1 2861 . 1 1 225 225 ASN HB2 H 1 2.877 0.007 21 2 . . . . 223 N QB . 11073 1 2862 . 1 1 225 225 ASN HB3 H 1 2.877 0.007 21 2 . . . . 223 N QB . 11073 1 2863 . 1 1 225 225 ASN HD21 H 1 7.659 0.004 24 2 . . . . 223 N HD21 . 11073 1 2864 . 1 1 225 225 ASN HD22 H 1 7.029 0.003 21 2 . . . . 223 N HD22 . 11073 1 2865 . 1 1 225 225 ASN C C 13 174.087 0.008 2 1 . . . . 223 N C . 11073 1 2866 . 1 1 225 225 ASN CA C 13 52.970 0.075 16 1 . . . . 223 N CA . 11073 1 2867 . 1 1 225 225 ASN CB C 13 37.893 0.131 20 1 . . . . 223 N CB . 11073 1 2868 . 1 1 225 225 ASN CG C 13 178.132 . 1 1 . . . . 223 N CG . 11073 1 2869 . 1 1 225 225 ASN N N 15 116.559 0.050 38 1 . . . . 223 N N . 11073 1 2870 . 1 1 225 225 ASN ND2 N 15 112.041 0.072 38 1 . . . . 223 N ND2 . 11073 1 2871 . 1 1 226 226 LEU H H 1 8.092 0.002 33 1 . . . . 224 L H . 11073 1 2872 . 1 1 226 226 LEU HA H 1 4.257 0.005 36 1 . . . . 224 L HA . 11073 1 2873 . 1 1 226 226 LEU HB2 H 1 1.654 0.007 23 2 . . . . 224 L HB2 . 11073 1 2874 . 1 1 226 226 LEU HB3 H 1 1.524 0.009 18 2 . . . . 224 L HB3 . 11073 1 2875 . 1 1 226 226 LEU HD11 H 1 0.854 0.009 31 2 . . . . 224 L MD1 . 11073 1 2876 . 1 1 226 226 LEU HD12 H 1 0.854 0.009 31 2 . . . . 224 L MD1 . 11073 1 2877 . 1 1 226 226 LEU HD13 H 1 0.854 0.009 31 2 . . . . 224 L MD1 . 11073 1 2878 . 1 1 226 226 LEU HD21 H 1 0.886 0.009 30 2 . . . . 224 L MD2 . 11073 1 2879 . 1 1 226 226 LEU HD22 H 1 0.886 0.009 30 2 . . . . 224 L MD2 . 11073 1 2880 . 1 1 226 226 LEU HD23 H 1 0.886 0.009 30 2 . . . . 224 L MD2 . 11073 1 2881 . 1 1 226 226 LEU HG H 1 1.633 0.014 8 1 . . . . 224 L HG . 11073 1 2882 . 1 1 226 226 LEU C C 13 175.764 0.016 2 1 . . . . 224 L C . 11073 1 2883 . 1 1 226 226 LEU CA C 13 55.499 0.064 31 1 . . . . 224 L CA . 11073 1 2884 . 1 1 226 226 LEU CB C 13 42.319 0.121 39 1 . . . . 224 L CB . 11073 1 2885 . 1 1 226 226 LEU CD1 C 13 24.582 0.176 24 2 . . . . 224 L CD1 . 11073 1 2886 . 1 1 226 226 LEU CD2 C 13 25.351 0.105 30 2 . . . . 224 L CD2 . 11073 1 2887 . 1 1 226 226 LEU CG C 13 26.888 0.112 20 1 . . . . 224 L CG . 11073 1 2888 . 1 1 226 226 LEU N N 15 120.591 0.032 30 1 . . . . 224 L N . 11073 1 2889 . 1 1 227 227 ASN H H 1 7.791 0.002 37 1 . . . . 225 N H . 11073 1 2890 . 1 1 227 227 ASN HA H 1 4.429 0.005 16 1 . . . . 225 N HA . 11073 1 2891 . 1 1 227 227 ASN HB2 H 1 2.739 0.010 12 2 . . . . 225 N HB2 . 11073 1 2892 . 1 1 227 227 ASN HB3 H 1 2.658 0.008 11 2 . . . . 225 N HB3 . 11073 1 2893 . 1 1 227 227 ASN HD21 H 1 7.402 0.004 9 2 . . . . 225 N HD21 . 11073 1 2894 . 1 1 227 227 ASN HD22 H 1 6.756 0.001 7 2 . . . . 225 N HD22 . 11073 1 2895 . 1 1 227 227 ASN C C 13 179.020 . 1 1 . . . . 225 N C . 11073 1 2896 . 1 1 227 227 ASN CA C 13 54.452 0.052 16 1 . . . . 225 N CA . 11073 1 2897 . 1 1 227 227 ASN CB C 13 40.532 0.081 16 1 . . . . 225 N CB . 11073 1 2898 . 1 1 227 227 ASN CG C 13 178.159 0.004 2 1 . . . . 225 N CG . 11073 1 2899 . 1 1 227 227 ASN N N 15 124.329 0.027 35 1 . . . . 225 N N . 11073 1 2900 . 1 1 227 227 ASN ND2 N 15 112.628 0.041 11 1 . . . . 225 N ND2 . 11073 1 2901 . 2 2 1 1 JH3 HA H 1 2.655 0.004 36 1 . . . . 300 J HA . 11073 1 2902 . 2 2 1 1 JH3 H2 H 1 6.104 0.005 36 1 . . . . 300 J H2 . 11073 1 2903 . 2 2 1 1 JH3 H6 H 1 4.743 0.003 11 1 . . . . 300 J H6 . 11073 1 2904 . 2 2 1 1 JH3 H8 H 1 1.955 0.008 28 2 . . . . 300 J H81 . 11073 1 2905 . 2 2 1 1 JH3 H8A H 1 1.435 0.012 24 2 . . . . 300 J H82 . 11073 1 2906 . 2 2 1 1 JH3 H3' H 1 1.184 0.003 28 1 . . . . 300 J M3' . 11073 1 2907 . 2 2 1 1 JH3 H3'A H 1 1.184 0.003 28 1 . . . . 300 J M3' . 11073 1 2908 . 2 2 1 1 JH3 H3'B H 1 1.184 0.003 28 1 . . . . 300 J M3' . 11073 1 2909 . 2 2 1 1 JH3 H7' H 1 1.150 0.004 38 1 . . . . 300 J M7' . 11073 1 2910 . 2 2 1 1 JH3 H7'A H 1 1.150 0.004 38 1 . . . . 300 J M7' . 11073 1 2911 . 2 2 1 1 JH3 H7'B H 1 1.150 0.004 38 1 . . . . 300 J M7' . 11073 1 2912 . 2 2 1 1 JH3 H4 H 1 1.968 0.015 17 2 . . . . 300 J Q4 . 11073 1 2913 . 2 2 1 1 JH3 H4A H 1 1.968 0.015 17 2 . . . . 300 J Q4 . 11073 1 2914 . 2 2 1 1 JH3 HB' H 1 -0.101 0.004 51 1 . . . . 300 J MB' . 11073 1 2915 . 2 2 1 1 JH3 HB'A H 1 -0.101 0.004 51 1 . . . . 300 J MB' . 11073 1 2916 . 2 2 1 1 JH3 HB'B H 1 -0.101 0.004 51 1 . . . . 300 J MB' . 11073 1 2917 . 2 2 1 1 JH3 H5 H 1 1.424 0.009 21 2 . . . . 300 J Q5 . 11073 1 2918 . 2 2 1 1 JH3 H5A H 1 1.424 0.009 21 2 . . . . 300 J Q5 . 11073 1 2919 . 2 2 1 1 JH3 HC H 1 -0.101 0.004 54 1 . . . . 300 J MC . 11073 1 2920 . 2 2 1 1 JH3 HCA H 1 -0.101 0.004 54 1 . . . . 300 J MC . 11073 1 2921 . 2 2 1 1 JH3 HCB H 1 -0.101 0.004 54 1 . . . . 300 J MC . 11073 1 2922 . 2 2 1 1 JH3 H9 H 1 1.097 0.006 19 2 . . . . 300 J Q9 . 11073 1 2923 . 2 2 1 1 JH3 H9A H 1 1.097 0.006 19 2 . . . . 300 J Q9 . 11073 1 2924 . 2 2 1 1 JH3 HM H 1 3.468 0.002 24 1 . . . . 300 J MM . 11073 1 2925 . 2 2 1 1 JH3 HMA H 1 3.468 0.002 24 1 . . . . 300 J MM . 11073 1 2926 . 2 2 1 1 JH3 HMB H 1 3.468 0.002 24 1 . . . . 300 J MM . 11073 1 stop_ save_