data_19417 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19417 _Entry.Title ; NMR solution structure of oxidised PaDsbA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-08 _Entry.Accession_date 2013-08-08 _Entry.Last_release_date 2014-11-10 _Entry.Original_release_date 2014-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kieran Rimmer . . . 19417 2 Biswaranjan Mohanty . . . 19417 3 Martin Scanlon . J. . 19417 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Enzyme Function Initiative' 'not applicable' . 19417 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DsbA . 19417 oxidised . 19417 oxidoreductase . 19417 'Pseudomonas aeruginosa' . 19417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 591 19417 '15N chemical shifts' 176 19417 '1H chemical shifts' 1221 19417 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 . . 2014-11-10 2013-08-08 original author . 19417 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19413 KpDsbA 19417 BMRB 19414 'PaDsbA in complex form' 19417 PDB 2MBT 'solution structure of PaDsbA' 19417 PDB 3H93 'crystal structure of PaDsbA' 19417 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19417 _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 'The DsbA oxidoreductase from Pseudomonas aeruginosa binds ligands at a site alternate to other DsbAs' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'PLOS One' _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 Kieran Rimmer . . . 19417 1 2 Biswaranjan Mohanty . . . 19417 1 3 Stephen Headey . J. . 19417 1 4 Mansha Vazirani . . . 19417 1 5 Stephen Shouldice . R. . 19417 1 6 Craig Morton . . . 19417 1 7 Jennifer Martin . L. . 19417 1 8 Jamie Simpson . S. . 19417 1 9 Martin Scanlon . J. . 19417 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19417 _Assembly.ID 1 _Assembly.Name PaDsbA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic 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 PaDsbA 1 $entity A . yes native no no . . . 19417 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 . 1 CYS 35 35 SG . 1 . 1 CYS 38 38 SG . PaDsbA 37 CYS SG . PaDsbA 40 CYS SG 19417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19417 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GDDYTAGKEYVELSSPVPVS QPGKIEVVELFWYGCPHCYA FEPTIVPWSEKLPADVHFVR LPALFGGIWNVHGQMFLTLE SMGVEHDVHNAVFEAIHKEH KKLATPEEMADFLAGKGVDK EKFLSTYNSFAIKGQMEKAK KLAMAYQVTGVPTMVVNGKY RFDIGSAGGPEETLKLADYL IEKERAAAKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21152.434 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19414 . entity . . . . . 100.00 190 100.00 100.00 1.80e-136 . . . . 19417 1 2 no PDB 2MBT . "Nmr Study Of Padsba" . . . . . 100.00 190 100.00 100.00 1.80e-136 . . . . 19417 1 3 no PDB 2MBU . "Padsba Plus Mips-0000851 (3-[(2-methylbenzyl)sulfanyl]-4h-1,2,4- Triazol-4-amine)" . . . . . 100.00 190 100.00 100.00 1.80e-136 . . . . 19417 1 4 no DBJ BAK93072 . "thiol:disulfide interchange protein [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 5 no DBJ BAP25402 . "thiol:disulfide interchange protein [Pseudomonas aeruginosa]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 6 no DBJ BAP54200 . "thiol:disulfide interchange protein [Pseudomonas aeruginosa]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 7 no DBJ BAQ43440 . "thiol:disulfide interchange protein [Pseudomonas aeruginosa]" . . . . . 100.00 211 99.47 99.47 1.85e-136 . . . . 19417 1 8 no DBJ BAR70987 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 9 no EMBL CAW30639 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 10 no EMBL CCQ84537 . "Periplasmic thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa 18A]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 11 no EMBL CDH74254 . "Thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa MH38]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 12 no EMBL CDH80603 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa MH27]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 13 no EMBL CDI94111 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 14 no GB AAB41795 . "DsbA [Pseudomonas aeruginosa PAO1]" . . . . . 99.47 210 98.94 98.94 7.05e-135 . . . . 19417 1 15 no GB AAD22452 . "thiol:disulfide interchange protein DsbA precursor [Pseudomonas aeruginosa]" . . . . . 99.47 210 98.94 98.94 7.05e-135 . . . . 19417 1 16 no GB AAG08874 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 17 no GB AAT49872 . "PA5489, partial [synthetic construct]" . . . . . 99.47 212 99.47 99.47 2.95e-135 . . . . 19417 1 18 no GB ABJ14875 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 19 no REF NP_254176 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 20 no REF WP_003096976 . "MULTISPECIES: thiol:disulfide interchange protein DsbA [Pseudomonas]" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 21 no REF WP_003155460 . "thiol:disulfide interchange protein DsbA [Pseudomonas aeruginosa]" . . . . . 100.00 211 98.42 98.95 3.25e-135 . . . . 19417 1 22 no REF WP_009316028 . "MULTISPECIES: thiol:disulfide interchange protein [Pseudomonas]" . . . . . 100.00 211 99.47 99.47 1.85e-136 . . . . 19417 1 23 no REF WP_012078052 . "thiol:disulfide interchange protein [Pseudomonas aeruginosa]" . . . . . 100.00 211 97.89 98.42 1.22e-134 . . . . 19417 1 24 no SP P0C2B2 . "RecName: Full=Thiol:disulfide interchange protein DsbA; Flags: Precursor" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 1 25 no SP Q02DM0 . "RecName: Full=Thiol:disulfide interchange protein DsbA; Flags: Precursor" . . . . . 100.00 211 99.47 99.47 1.33e-136 . . . . 19417 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 3 GLY . 19417 1 2 4 ASP . 19417 1 3 5 ASP . 19417 1 4 6 TYR . 19417 1 5 7 THR . 19417 1 6 8 ALA . 19417 1 7 9 GLY . 19417 1 8 10 LYS . 19417 1 9 11 GLU . 19417 1 10 12 TYR . 19417 1 11 13 VAL . 19417 1 12 14 GLU . 19417 1 13 15 LEU . 19417 1 14 16 SER . 19417 1 15 17 SER . 19417 1 16 18 PRO . 19417 1 17 19 VAL . 19417 1 18 20 PRO . 19417 1 19 21 VAL . 19417 1 20 22 SER . 19417 1 21 23 GLN . 19417 1 22 24 PRO . 19417 1 23 25 GLY . 19417 1 24 26 LYS . 19417 1 25 27 ILE . 19417 1 26 28 GLU . 19417 1 27 29 VAL . 19417 1 28 30 VAL . 19417 1 29 31 GLU . 19417 1 30 32 LEU . 19417 1 31 33 PHE . 19417 1 32 34 TRP . 19417 1 33 35 TYR . 19417 1 34 36 GLY . 19417 1 35 37 CYS . 19417 1 36 38 PRO . 19417 1 37 39 HIS . 19417 1 38 40 CYS . 19417 1 39 41 TYR . 19417 1 40 42 ALA . 19417 1 41 43 PHE . 19417 1 42 44 GLU . 19417 1 43 45 PRO . 19417 1 44 46 THR . 19417 1 45 47 ILE . 19417 1 46 48 VAL . 19417 1 47 49 PRO . 19417 1 48 50 TRP . 19417 1 49 51 SER . 19417 1 50 52 GLU . 19417 1 51 53 LYS . 19417 1 52 54 LEU . 19417 1 53 55 PRO . 19417 1 54 56 ALA . 19417 1 55 57 ASP . 19417 1 56 58 VAL . 19417 1 57 59 HIS . 19417 1 58 60 PHE . 19417 1 59 61 VAL . 19417 1 60 62 ARG . 19417 1 61 63 LEU . 19417 1 62 64 PRO . 19417 1 63 65 ALA . 19417 1 64 66 LEU . 19417 1 65 67 PHE . 19417 1 66 68 GLY . 19417 1 67 69 GLY . 19417 1 68 70 ILE . 19417 1 69 71 TRP . 19417 1 70 72 ASN . 19417 1 71 73 VAL . 19417 1 72 74 HIS . 19417 1 73 75 GLY . 19417 1 74 76 GLN . 19417 1 75 77 MET . 19417 1 76 78 PHE . 19417 1 77 79 LEU . 19417 1 78 80 THR . 19417 1 79 81 LEU . 19417 1 80 82 GLU . 19417 1 81 83 SER . 19417 1 82 84 MET . 19417 1 83 85 GLY . 19417 1 84 86 VAL . 19417 1 85 87 GLU . 19417 1 86 88 HIS . 19417 1 87 89 ASP . 19417 1 88 90 VAL . 19417 1 89 91 HIS . 19417 1 90 92 ASN . 19417 1 91 93 ALA . 19417 1 92 94 VAL . 19417 1 93 95 PHE . 19417 1 94 96 GLU . 19417 1 95 97 ALA . 19417 1 96 98 ILE . 19417 1 97 99 HIS . 19417 1 98 100 LYS . 19417 1 99 101 GLU . 19417 1 100 102 HIS . 19417 1 101 103 LYS . 19417 1 102 104 LYS . 19417 1 103 105 LEU . 19417 1 104 106 ALA . 19417 1 105 107 THR . 19417 1 106 108 PRO . 19417 1 107 109 GLU . 19417 1 108 110 GLU . 19417 1 109 111 MET . 19417 1 110 112 ALA . 19417 1 111 113 ASP . 19417 1 112 114 PHE . 19417 1 113 115 LEU . 19417 1 114 116 ALA . 19417 1 115 117 GLY . 19417 1 116 118 LYS . 19417 1 117 119 GLY . 19417 1 118 120 VAL . 19417 1 119 121 ASP . 19417 1 120 122 LYS . 19417 1 121 123 GLU . 19417 1 122 124 LYS . 19417 1 123 125 PHE . 19417 1 124 126 LEU . 19417 1 125 127 SER . 19417 1 126 128 THR . 19417 1 127 129 TYR . 19417 1 128 130 ASN . 19417 1 129 131 SER . 19417 1 130 132 PHE . 19417 1 131 133 ALA . 19417 1 132 134 ILE . 19417 1 133 135 LYS . 19417 1 134 136 GLY . 19417 1 135 137 GLN . 19417 1 136 138 MET . 19417 1 137 139 GLU . 19417 1 138 140 LYS . 19417 1 139 141 ALA . 19417 1 140 142 LYS . 19417 1 141 143 LYS . 19417 1 142 144 LEU . 19417 1 143 145 ALA . 19417 1 144 146 MET . 19417 1 145 147 ALA . 19417 1 146 148 TYR . 19417 1 147 149 GLN . 19417 1 148 150 VAL . 19417 1 149 151 THR . 19417 1 150 152 GLY . 19417 1 151 153 VAL . 19417 1 152 154 PRO . 19417 1 153 155 THR . 19417 1 154 156 MET . 19417 1 155 157 VAL . 19417 1 156 158 VAL . 19417 1 157 159 ASN . 19417 1 158 160 GLY . 19417 1 159 161 LYS . 19417 1 160 162 TYR . 19417 1 161 163 ARG . 19417 1 162 164 PHE . 19417 1 163 165 ASP . 19417 1 164 166 ILE . 19417 1 165 167 GLY . 19417 1 166 168 SER . 19417 1 167 169 ALA . 19417 1 168 170 GLY . 19417 1 169 171 GLY . 19417 1 170 172 PRO . 19417 1 171 173 GLU . 19417 1 172 174 GLU . 19417 1 173 175 THR . 19417 1 174 176 LEU . 19417 1 175 177 LYS . 19417 1 176 178 LEU . 19417 1 177 179 ALA . 19417 1 178 180 ASP . 19417 1 179 181 TYR . 19417 1 180 182 LEU . 19417 1 181 183 ILE . 19417 1 182 184 GLU . 19417 1 183 185 LYS . 19417 1 184 186 GLU . 19417 1 185 187 ARG . 19417 1 186 188 ALA . 19417 1 187 189 ALA . 19417 1 188 190 ALA . 19417 1 189 191 LYS . 19417 1 190 192 LYS . 19417 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 19417 1 . ASP 2 2 19417 1 . ASP 3 3 19417 1 . TYR 4 4 19417 1 . THR 5 5 19417 1 . ALA 6 6 19417 1 . GLY 7 7 19417 1 . LYS 8 8 19417 1 . GLU 9 9 19417 1 . TYR 10 10 19417 1 . VAL 11 11 19417 1 . GLU 12 12 19417 1 . LEU 13 13 19417 1 . SER 14 14 19417 1 . SER 15 15 19417 1 . PRO 16 16 19417 1 . VAL 17 17 19417 1 . PRO 18 18 19417 1 . VAL 19 19 19417 1 . SER 20 20 19417 1 . GLN 21 21 19417 1 . PRO 22 22 19417 1 . GLY 23 23 19417 1 . LYS 24 24 19417 1 . ILE 25 25 19417 1 . GLU 26 26 19417 1 . VAL 27 27 19417 1 . VAL 28 28 19417 1 . GLU 29 29 19417 1 . LEU 30 30 19417 1 . PHE 31 31 19417 1 . TRP 32 32 19417 1 . TYR 33 33 19417 1 . GLY 34 34 19417 1 . CYS 35 35 19417 1 . PRO 36 36 19417 1 . HIS 37 37 19417 1 . CYS 38 38 19417 1 . TYR 39 39 19417 1 . ALA 40 40 19417 1 . PHE 41 41 19417 1 . GLU 42 42 19417 1 . PRO 43 43 19417 1 . THR 44 44 19417 1 . ILE 45 45 19417 1 . VAL 46 46 19417 1 . PRO 47 47 19417 1 . TRP 48 48 19417 1 . SER 49 49 19417 1 . GLU 50 50 19417 1 . LYS 51 51 19417 1 . LEU 52 52 19417 1 . PRO 53 53 19417 1 . ALA 54 54 19417 1 . ASP 55 55 19417 1 . VAL 56 56 19417 1 . HIS 57 57 19417 1 . PHE 58 58 19417 1 . VAL 59 59 19417 1 . ARG 60 60 19417 1 . LEU 61 61 19417 1 . PRO 62 62 19417 1 . ALA 63 63 19417 1 . LEU 64 64 19417 1 . PHE 65 65 19417 1 . GLY 66 66 19417 1 . GLY 67 67 19417 1 . ILE 68 68 19417 1 . TRP 69 69 19417 1 . ASN 70 70 19417 1 . VAL 71 71 19417 1 . HIS 72 72 19417 1 . GLY 73 73 19417 1 . GLN 74 74 19417 1 . MET 75 75 19417 1 . PHE 76 76 19417 1 . LEU 77 77 19417 1 . THR 78 78 19417 1 . LEU 79 79 19417 1 . GLU 80 80 19417 1 . SER 81 81 19417 1 . MET 82 82 19417 1 . GLY 83 83 19417 1 . VAL 84 84 19417 1 . GLU 85 85 19417 1 . HIS 86 86 19417 1 . ASP 87 87 19417 1 . VAL 88 88 19417 1 . HIS 89 89 19417 1 . ASN 90 90 19417 1 . ALA 91 91 19417 1 . VAL 92 92 19417 1 . PHE 93 93 19417 1 . GLU 94 94 19417 1 . ALA 95 95 19417 1 . ILE 96 96 19417 1 . HIS 97 97 19417 1 . LYS 98 98 19417 1 . GLU 99 99 19417 1 . HIS 100 100 19417 1 . LYS 101 101 19417 1 . LYS 102 102 19417 1 . LEU 103 103 19417 1 . ALA 104 104 19417 1 . THR 105 105 19417 1 . PRO 106 106 19417 1 . GLU 107 107 19417 1 . GLU 108 108 19417 1 . MET 109 109 19417 1 . ALA 110 110 19417 1 . ASP 111 111 19417 1 . PHE 112 112 19417 1 . LEU 113 113 19417 1 . ALA 114 114 19417 1 . GLY 115 115 19417 1 . LYS 116 116 19417 1 . GLY 117 117 19417 1 . VAL 118 118 19417 1 . ASP 119 119 19417 1 . LYS 120 120 19417 1 . GLU 121 121 19417 1 . LYS 122 122 19417 1 . PHE 123 123 19417 1 . LEU 124 124 19417 1 . SER 125 125 19417 1 . THR 126 126 19417 1 . TYR 127 127 19417 1 . ASN 128 128 19417 1 . SER 129 129 19417 1 . PHE 130 130 19417 1 . ALA 131 131 19417 1 . ILE 132 132 19417 1 . LYS 133 133 19417 1 . GLY 134 134 19417 1 . GLN 135 135 19417 1 . MET 136 136 19417 1 . GLU 137 137 19417 1 . LYS 138 138 19417 1 . ALA 139 139 19417 1 . LYS 140 140 19417 1 . LYS 141 141 19417 1 . LEU 142 142 19417 1 . ALA 143 143 19417 1 . MET 144 144 19417 1 . ALA 145 145 19417 1 . TYR 146 146 19417 1 . GLN 147 147 19417 1 . VAL 148 148 19417 1 . THR 149 149 19417 1 . GLY 150 150 19417 1 . VAL 151 151 19417 1 . PRO 152 152 19417 1 . THR 153 153 19417 1 . MET 154 154 19417 1 . VAL 155 155 19417 1 . VAL 156 156 19417 1 . ASN 157 157 19417 1 . GLY 158 158 19417 1 . LYS 159 159 19417 1 . TYR 160 160 19417 1 . ARG 161 161 19417 1 . PHE 162 162 19417 1 . ASP 163 163 19417 1 . ILE 164 164 19417 1 . GLY 165 165 19417 1 . SER 166 166 19417 1 . ALA 167 167 19417 1 . GLY 168 168 19417 1 . GLY 169 169 19417 1 . PRO 170 170 19417 1 . GLU 171 171 19417 1 . GLU 172 172 19417 1 . THR 173 173 19417 1 . LEU 174 174 19417 1 . LYS 175 175 19417 1 . LEU 176 176 19417 1 . ALA 177 177 19417 1 . ASP 178 178 19417 1 . TYR 179 179 19417 1 . LEU 180 180 19417 1 . ILE 181 181 19417 1 . GLU 182 182 19417 1 . LYS 183 183 19417 1 . GLU 184 184 19417 1 . ARG 185 185 19417 1 . ALA 186 186 19417 1 . ALA 187 187 19417 1 . ALA 188 188 19417 1 . LYS 189 189 19417 1 . LYS 190 190 19417 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19417 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 19417 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 19417 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3)-Gold . . . . . . . . . . . . . . pET28a-PaDsbA . . . . . . 19417 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19417 _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 PaDsbA '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 2 . . mM . . . . 19417 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19417 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19417 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19417 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19417 1 6 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 19417 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19417 _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 7.4 . pH 19417 1 temperature 298 . K 19417 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19417 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19417 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19417 1 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 19417 _Software.ID 2 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19417 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19417 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19417 _Software.ID 3 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19417 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19417 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19417 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19417 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19417 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19417 1 2 spectrometer_2 Bruker Avance . 600 . . . 19417 1 3 spectrometer_3 Bruker Avance . 500 . . . 19417 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 19417 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19417 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19417 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 19417 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . . . . . 19417 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 19417 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19417 1 2 '2D 1H-13C HSQC aliphatic' . . . 19417 1 3 '2D 1H-13C HSQC aromatic' . . . 19417 1 4 '3D CBCA(CO)NH' . . . 19417 1 5 '3D HNCACB' . . . 19417 1 6 '3D HBHA(CO)NH' . . . 19417 1 7 '3D 1H-15N NOESY' . . . 19417 1 8 '3D 1H-13C NOESY aliphatic' . . . 19417 1 9 '3D 1H-13C NOESY aromatic' . . . 19417 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 2 2 ASP HA H 1 4.552 0.020 . 1 . . . . 4 ASP HA . 19417 1 2 . 1 1 2 2 ASP HB2 H 1 2.632 0.020 . 2 . . . . 4 ASP HB2 . 19417 1 3 . 1 1 2 2 ASP HB3 H 1 2.473 0.020 . 2 . . . . 4 ASP HB3 . 19417 1 4 . 1 1 2 2 ASP CA C 13 53.774 0.200 . 1 . . . . 4 ASP CA . 19417 1 5 . 1 1 2 2 ASP CB C 13 41.207 0.200 . 1 . . . . 4 ASP CB . 19417 1 6 . 1 1 3 3 ASP H H 1 8.028 0.020 . 1 . . . . 5 ASP H . 19417 1 7 . 1 1 3 3 ASP HA H 1 4.299 0.020 . 1 . . . . 5 ASP HA . 19417 1 8 . 1 1 3 3 ASP HB2 H 1 2.312 0.020 . 2 . . . . 5 ASP HB2 . 19417 1 9 . 1 1 3 3 ASP HB3 H 1 2.137 0.020 . 2 . . . . 5 ASP HB3 . 19417 1 10 . 1 1 3 3 ASP CA C 13 54.010 0.200 . 1 . . . . 5 ASP CA . 19417 1 11 . 1 1 3 3 ASP CB C 13 41.205 0.200 . 1 . . . . 5 ASP CB . 19417 1 12 . 1 1 3 3 ASP N N 15 120.548 0.200 . 1 . . . . 5 ASP N . 19417 1 13 . 1 1 4 4 TYR H H 1 7.271 0.020 . 1 . . . . 6 TYR H . 19417 1 14 . 1 1 4 4 TYR HA H 1 4.548 0.020 . 1 . . . . 6 TYR HA . 19417 1 15 . 1 1 4 4 TYR HB2 H 1 2.824 0.020 . 2 . . . . 6 TYR HB2 . 19417 1 16 . 1 1 4 4 TYR HB3 H 1 2.206 0.020 . 2 . . . . 6 TYR HB3 . 19417 1 17 . 1 1 4 4 TYR HD1 H 1 5.996 0.020 . 3 . . . . 6 TYR HD . 19417 1 18 . 1 1 4 4 TYR HD2 H 1 5.996 0.020 . 3 . . . . 6 TYR HD . 19417 1 19 . 1 1 4 4 TYR HE1 H 1 6.517 0.020 . 3 . . . . 6 TYR HE . 19417 1 20 . 1 1 4 4 TYR HE2 H 1 6.517 0.020 . 3 . . . . 6 TYR HE . 19417 1 21 . 1 1 4 4 TYR CA C 13 56.505 0.200 . 1 . . . . 6 TYR CA . 19417 1 22 . 1 1 4 4 TYR CB C 13 40.878 0.200 . 1 . . . . 6 TYR CB . 19417 1 23 . 1 1 4 4 TYR CD1 C 13 132.707 0.200 . 3 . . . . 6 TYR CD1 . 19417 1 24 . 1 1 4 4 TYR CE1 C 13 117.471 0.200 . 3 . . . . 6 TYR CE1 . 19417 1 25 . 1 1 4 4 TYR N N 15 117.810 0.200 . 1 . . . . 6 TYR N . 19417 1 26 . 1 1 5 5 THR H H 1 10.149 0.020 . 1 . . . . 7 THR H . 19417 1 27 . 1 1 5 5 THR HA H 1 4.476 0.020 . 1 . . . . 7 THR HA . 19417 1 28 . 1 1 5 5 THR HB H 1 3.994 0.020 . 1 . . . . 7 THR HB . 19417 1 29 . 1 1 5 5 THR HG21 H 1 1.206 0.020 . 1 . . . . 7 THR HG2 . 19417 1 30 . 1 1 5 5 THR HG22 H 1 1.206 0.020 . 1 . . . . 7 THR HG2 . 19417 1 31 . 1 1 5 5 THR HG23 H 1 1.206 0.020 . 1 . . . . 7 THR HG2 . 19417 1 32 . 1 1 5 5 THR CA C 13 61.663 0.200 . 1 . . . . 7 THR CA . 19417 1 33 . 1 1 5 5 THR CB C 13 70.520 0.200 . 1 . . . . 7 THR CB . 19417 1 34 . 1 1 5 5 THR CG2 C 13 20.493 0.200 . 1 . . . . 7 THR CG2 . 19417 1 35 . 1 1 5 5 THR N N 15 122.034 0.200 . 1 . . . . 7 THR N . 19417 1 36 . 1 1 6 6 ALA H H 1 8.801 0.020 . 1 . . . . 8 ALA H . 19417 1 37 . 1 1 6 6 ALA HA H 1 2.896 0.020 . 1 . . . . 8 ALA HA . 19417 1 38 . 1 1 6 6 ALA HB1 H 1 1.336 0.020 . 1 . . . . 8 ALA HB . 19417 1 39 . 1 1 6 6 ALA HB2 H 1 1.336 0.020 . 1 . . . . 8 ALA HB . 19417 1 40 . 1 1 6 6 ALA HB3 H 1 1.336 0.020 . 1 . . . . 8 ALA HB . 19417 1 41 . 1 1 6 6 ALA CA C 13 53.125 0.200 . 1 . . . . 8 ALA CA . 19417 1 42 . 1 1 6 6 ALA CB C 13 17.356 0.200 . 1 . . . . 8 ALA CB . 19417 1 43 . 1 1 6 6 ALA N N 15 132.073 0.200 . 1 . . . . 8 ALA N . 19417 1 44 . 1 1 7 7 GLY H H 1 8.931 0.020 . 1 . . . . 9 GLY H . 19417 1 45 . 1 1 7 7 GLY HA2 H 1 4.368 0.020 . 2 . . . . 9 GLY HA2 . 19417 1 46 . 1 1 7 7 GLY HA3 H 1 3.579 0.020 . 2 . . . . 9 GLY HA3 . 19417 1 47 . 1 1 7 7 GLY CA C 13 44.882 0.200 . 1 . . . . 9 GLY CA . 19417 1 48 . 1 1 7 7 GLY N N 15 113.860 0.200 . 1 . . . . 9 GLY N . 19417 1 49 . 1 1 8 8 LYS H H 1 8.181 0.020 . 1 . . . . 10 LYS H . 19417 1 50 . 1 1 8 8 LYS HA H 1 4.532 0.020 . 1 . . . . 10 LYS HA . 19417 1 51 . 1 1 8 8 LYS HB2 H 1 2.044 0.020 . 2 . . . . 10 LYS HB2 . 19417 1 52 . 1 1 8 8 LYS HB3 H 1 1.651 0.020 . 2 . . . . 10 LYS HB3 . 19417 1 53 . 1 1 8 8 LYS HG2 H 1 1.343 0.020 . 2 . . . . 10 LYS HG2 . 19417 1 54 . 1 1 8 8 LYS HG3 H 1 1.255 0.020 . 2 . . . . 10 LYS HG3 . 19417 1 55 . 1 1 8 8 LYS CA C 13 56.620 0.200 . 1 . . . . 10 LYS CA . 19417 1 56 . 1 1 8 8 LYS CB C 13 32.309 0.200 . 1 . . . . 10 LYS CB . 19417 1 57 . 1 1 8 8 LYS CG C 13 24.822 0.200 . 1 . . . . 10 LYS CG . 19417 1 58 . 1 1 8 8 LYS N N 15 123.252 0.200 . 1 . . . . 10 LYS N . 19417 1 59 . 1 1 9 9 GLU H H 1 9.284 0.020 . 1 . . . . 11 GLU H . 19417 1 60 . 1 1 9 9 GLU HA H 1 4.235 0.020 . 1 . . . . 11 GLU HA . 19417 1 61 . 1 1 9 9 GLU HB2 H 1 2.134 0.020 . 2 . . . . 11 GLU HB2 . 19417 1 62 . 1 1 9 9 GLU HB3 H 1 2.028 0.020 . 2 . . . . 11 GLU HB3 . 19417 1 63 . 1 1 9 9 GLU HG2 H 1 2.910 0.020 . 2 . . . . 11 GLU HG2 . 19417 1 64 . 1 1 9 9 GLU HG3 H 1 2.492 0.020 . 2 . . . . 11 GLU HG3 . 19417 1 65 . 1 1 9 9 GLU CA C 13 59.757 0.200 . 1 . . . . 11 GLU CA . 19417 1 66 . 1 1 9 9 GLU CB C 13 29.351 0.200 . 1 . . . . 11 GLU CB . 19417 1 67 . 1 1 9 9 GLU CG C 13 36.868 0.200 . 1 . . . . 11 GLU CG . 19417 1 68 . 1 1 9 9 GLU N N 15 119.050 0.200 . 1 . . . . 11 GLU N . 19417 1 69 . 1 1 10 10 TYR H H 1 7.223 0.020 . 1 . . . . 12 TYR H . 19417 1 70 . 1 1 10 10 TYR HA H 1 5.247 0.020 . 1 . . . . 12 TYR HA . 19417 1 71 . 1 1 10 10 TYR HB2 H 1 2.848 0.020 . 2 . . . . 12 TYR HB2 . 19417 1 72 . 1 1 10 10 TYR HB3 H 1 2.694 0.020 . 2 . . . . 12 TYR HB3 . 19417 1 73 . 1 1 10 10 TYR HD1 H 1 6.716 0.020 . 3 . . . . 12 TYR HD . 19417 1 74 . 1 1 10 10 TYR HD2 H 1 6.716 0.020 . 3 . . . . 12 TYR HD . 19417 1 75 . 1 1 10 10 TYR HE1 H 1 6.531 0.020 . 3 . . . . 12 TYR HE . 19417 1 76 . 1 1 10 10 TYR HE2 H 1 6.531 0.020 . 3 . . . . 12 TYR HE . 19417 1 77 . 1 1 10 10 TYR CA C 13 54.126 0.200 . 1 . . . . 12 TYR CA . 19417 1 78 . 1 1 10 10 TYR CB C 13 41.437 0.200 . 1 . . . . 12 TYR CB . 19417 1 79 . 1 1 10 10 TYR CD1 C 13 132.797 0.200 . 3 . . . . 12 TYR CD1 . 19417 1 80 . 1 1 10 10 TYR CE1 C 13 117.070 0.200 . 3 . . . . 12 TYR CE1 . 19417 1 81 . 1 1 10 10 TYR N N 15 109.679 0.200 . 1 . . . . 12 TYR N . 19417 1 82 . 1 1 11 11 VAL H H 1 9.311 0.020 . 1 . . . . 13 VAL H . 19417 1 83 . 1 1 11 11 VAL HA H 1 4.468 0.020 . 1 . . . . 13 VAL HA . 19417 1 84 . 1 1 11 11 VAL HB H 1 2.000 0.020 . 1 . . . . 13 VAL HB . 19417 1 85 . 1 1 11 11 VAL HG11 H 1 0.938 0.020 . 1 . . . . 13 VAL HG1 . 19417 1 86 . 1 1 11 11 VAL HG12 H 1 0.938 0.020 . 1 . . . . 13 VAL HG1 . 19417 1 87 . 1 1 11 11 VAL HG13 H 1 0.938 0.020 . 1 . . . . 13 VAL HG1 . 19417 1 88 . 1 1 11 11 VAL HG21 H 1 0.956 0.020 . 1 . . . . 13 VAL HG2 . 19417 1 89 . 1 1 11 11 VAL HG22 H 1 0.956 0.020 . 1 . . . . 13 VAL HG2 . 19417 1 90 . 1 1 11 11 VAL HG23 H 1 0.956 0.020 . 1 . . . . 13 VAL HG2 . 19417 1 91 . 1 1 11 11 VAL CA C 13 60.116 0.200 . 1 . . . . 13 VAL CA . 19417 1 92 . 1 1 11 11 VAL CB C 13 35.408 0.200 . 1 . . . . 13 VAL CB . 19417 1 93 . 1 1 11 11 VAL CG1 C 13 20.852 0.200 . 1 . . . . 13 VAL CG1 . 19417 1 94 . 1 1 11 11 VAL CG2 C 13 20.701 0.200 . 1 . . . . 13 VAL CG2 . 19417 1 95 . 1 1 11 11 VAL N N 15 118.530 0.200 . 1 . . . . 13 VAL N . 19417 1 96 . 1 1 12 12 GLU H H 1 9.260 0.020 . 1 . . . . 14 GLU H . 19417 1 97 . 1 1 12 12 GLU HA H 1 5.206 0.020 . 1 . . . . 14 GLU HA . 19417 1 98 . 1 1 12 12 GLU HB2 H 1 2.124 0.020 . 2 . . . . 14 GLU HB2 . 19417 1 99 . 1 1 12 12 GLU HB3 H 1 2.359 0.020 . 2 . . . . 14 GLU HB3 . 19417 1 100 . 1 1 12 12 GLU HG2 H 1 2.366 0.020 . 2 . . . . 14 GLU HG . 19417 1 101 . 1 1 12 12 GLU HG3 H 1 2.366 0.020 . 2 . . . . 14 GLU HG . 19417 1 102 . 1 1 12 12 GLU CA C 13 54.452 0.200 . 1 . . . . 14 GLU CA . 19417 1 103 . 1 1 12 12 GLU CB C 13 30.407 0.200 . 1 . . . . 14 GLU CB . 19417 1 104 . 1 1 12 12 GLU CG C 13 36.989 0.200 . 1 . . . . 14 GLU CG . 19417 1 105 . 1 1 12 12 GLU N N 15 127.020 0.200 . 1 . . . . 14 GLU N . 19417 1 106 . 1 1 13 13 LEU H H 1 8.780 0.020 . 1 . . . . 15 LEU H . 19417 1 107 . 1 1 13 13 LEU HA H 1 4.238 0.020 . 1 . . . . 15 LEU HA . 19417 1 108 . 1 1 13 13 LEU HB2 H 1 1.513 0.020 . 2 . . . . 15 LEU HB2 . 19417 1 109 . 1 1 13 13 LEU HB3 H 1 1.580 0.020 . 2 . . . . 15 LEU HB3 . 19417 1 110 . 1 1 13 13 LEU HG H 1 1.543 0.020 . 1 . . . . 15 LEU HG . 19417 1 111 . 1 1 13 13 LEU HD11 H 1 0.944 0.020 . 1 . . . . 15 LEU HD1 . 19417 1 112 . 1 1 13 13 LEU HD12 H 1 0.944 0.020 . 1 . . . . 15 LEU HD1 . 19417 1 113 . 1 1 13 13 LEU HD13 H 1 0.944 0.020 . 1 . . . . 15 LEU HD1 . 19417 1 114 . 1 1 13 13 LEU HD21 H 1 0.930 0.020 . 1 . . . . 15 LEU HD2 . 19417 1 115 . 1 1 13 13 LEU HD22 H 1 0.930 0.020 . 1 . . . . 15 LEU HD2 . 19417 1 116 . 1 1 13 13 LEU HD23 H 1 0.930 0.020 . 1 . . . . 15 LEU HD2 . 19417 1 117 . 1 1 13 13 LEU CA C 13 54.752 0.200 . 1 . . . . 15 LEU CA . 19417 1 118 . 1 1 13 13 LEU CB C 13 41.101 0.200 . 1 . . . . 15 LEU CB . 19417 1 119 . 1 1 13 13 LEU CG C 13 27.577 0.200 . 1 . . . . 15 LEU CG . 19417 1 120 . 1 1 13 13 LEU CD1 C 13 25.262 0.200 . 1 . . . . 15 LEU CD1 . 19417 1 121 . 1 1 13 13 LEU CD2 C 13 22.925 0.200 . 1 . . . . 15 LEU CD2 . 19417 1 122 . 1 1 13 13 LEU N N 15 128.244 0.200 . 1 . . . . 15 LEU N . 19417 1 123 . 1 1 14 14 SER HA H 1 4.200 0.020 . 1 . . . . 16 SER HA . 19417 1 124 . 1 1 14 14 SER HB2 H 1 3.960 0.020 . 2 . . . . 16 SER HB . 19417 1 125 . 1 1 14 14 SER HB3 H 1 3.960 0.020 . 2 . . . . 16 SER HB . 19417 1 126 . 1 1 14 14 SER CA C 13 60.761 0.200 . 1 . . . . 16 SER CA . 19417 1 127 . 1 1 14 14 SER CB C 13 62.442 0.200 . 1 . . . . 16 SER CB . 19417 1 128 . 1 1 15 15 SER H H 1 7.742 0.020 . 1 . . . . 17 SER H . 19417 1 129 . 1 1 15 15 SER HA H 1 4.958 0.020 . 1 . . . . 17 SER HA . 19417 1 130 . 1 1 15 15 SER HB2 H 1 3.659 0.020 . 2 . . . . 17 SER HB2 . 19417 1 131 . 1 1 15 15 SER HB3 H 1 3.844 0.020 . 2 . . . . 17 SER HB3 . 19417 1 132 . 1 1 15 15 SER CA C 13 54.407 0.200 . 1 . . . . 17 SER CA . 19417 1 133 . 1 1 15 15 SER CB C 13 63.309 0.200 . 1 . . . . 17 SER CB . 19417 1 134 . 1 1 15 15 SER N N 15 115.680 0.200 . 1 . . . . 17 SER N . 19417 1 135 . 1 1 16 16 PRO HA H 1 4.524 0.020 . 1 . . . . 18 PRO HA . 19417 1 136 . 1 1 16 16 PRO HB2 H 1 2.193 0.020 . 2 . . . . 18 PRO HB2 . 19417 1 137 . 1 1 16 16 PRO HB3 H 1 1.823 0.020 . 2 . . . . 18 PRO HB3 . 19417 1 138 . 1 1 16 16 PRO HG2 H 1 1.945 0.020 . 2 . . . . 18 PRO HG2 . 19417 1 139 . 1 1 16 16 PRO HG3 H 1 2.037 0.020 . 2 . . . . 18 PRO HG3 . 19417 1 140 . 1 1 16 16 PRO HD2 H 1 3.682 0.020 . 2 . . . . 18 PRO HD . 19417 1 141 . 1 1 16 16 PRO HD3 H 1 3.682 0.020 . 2 . . . . 18 PRO HD . 19417 1 142 . 1 1 16 16 PRO CA C 13 62.397 0.200 . 1 . . . . 18 PRO CA . 19417 1 143 . 1 1 16 16 PRO CB C 13 32.399 0.200 . 1 . . . . 18 PRO CB . 19417 1 144 . 1 1 16 16 PRO CG C 13 27.166 0.200 . 1 . . . . 18 PRO CG . 19417 1 145 . 1 1 16 16 PRO CD C 13 50.522 0.200 . 1 . . . . 18 PRO CD . 19417 1 146 . 1 1 17 17 VAL H H 1 9.348 0.020 . 1 . . . . 19 VAL H . 19417 1 147 . 1 1 17 17 VAL HA H 1 4.341 0.020 . 1 . . . . 19 VAL HA . 19417 1 148 . 1 1 17 17 VAL HB H 1 2.084 0.020 . 1 . . . . 19 VAL HB . 19417 1 149 . 1 1 17 17 VAL HG11 H 1 0.933 0.020 . 1 . . . . 19 VAL HG1 . 19417 1 150 . 1 1 17 17 VAL HG12 H 1 0.933 0.020 . 1 . . . . 19 VAL HG1 . 19417 1 151 . 1 1 17 17 VAL HG13 H 1 0.933 0.020 . 1 . . . . 19 VAL HG1 . 19417 1 152 . 1 1 17 17 VAL HG21 H 1 0.950 0.020 . 1 . . . . 19 VAL HG2 . 19417 1 153 . 1 1 17 17 VAL HG22 H 1 0.950 0.020 . 1 . . . . 19 VAL HG2 . 19417 1 154 . 1 1 17 17 VAL HG23 H 1 0.950 0.020 . 1 . . . . 19 VAL HG2 . 19417 1 155 . 1 1 17 17 VAL CA C 13 59.279 0.200 . 1 . . . . 19 VAL CA . 19417 1 156 . 1 1 17 17 VAL CB C 13 34.679 0.200 . 1 . . . . 19 VAL CB . 19417 1 157 . 1 1 17 17 VAL CG1 C 13 20.036 0.200 . 1 . . . . 19 VAL CG1 . 19417 1 158 . 1 1 17 17 VAL CG2 C 13 22.556 0.200 . 1 . . . . 19 VAL CG2 . 19417 1 159 . 1 1 17 17 VAL N N 15 128.628 0.200 . 1 . . . . 19 VAL N . 19417 1 160 . 1 1 18 18 PRO HA H 1 4.364 0.020 . 1 . . . . 20 PRO HA . 19417 1 161 . 1 1 18 18 PRO HB2 H 1 2.307 0.020 . 2 . . . . 20 PRO HB2 . 19417 1 162 . 1 1 18 18 PRO HB3 H 1 1.784 0.020 . 2 . . . . 20 PRO HB3 . 19417 1 163 . 1 1 18 18 PRO HG2 H 1 1.935 0.020 . 2 . . . . 20 PRO HG2 . 19417 1 164 . 1 1 18 18 PRO HG3 H 1 2.033 0.020 . 2 . . . . 20 PRO HG3 . 19417 1 165 . 1 1 18 18 PRO HD2 H 1 3.589 0.020 . 2 . . . . 20 PRO HD2 . 19417 1 166 . 1 1 18 18 PRO HD3 H 1 3.877 0.020 . 2 . . . . 20 PRO HD3 . 19417 1 167 . 1 1 18 18 PRO CA C 13 62.784 0.200 . 1 . . . . 20 PRO CA . 19417 1 168 . 1 1 18 18 PRO CB C 13 31.943 0.200 . 1 . . . . 20 PRO CB . 19417 1 169 . 1 1 18 18 PRO CG C 13 27.452 0.200 . 1 . . . . 20 PRO CG . 19417 1 170 . 1 1 18 18 PRO CD C 13 50.807 0.200 . 1 . . . . 20 PRO CD . 19417 1 171 . 1 1 19 19 VAL H H 1 7.994 0.020 . 1 . . . . 21 VAL H . 19417 1 172 . 1 1 19 19 VAL HA H 1 4.333 0.020 . 1 . . . . 21 VAL HA . 19417 1 173 . 1 1 19 19 VAL HB H 1 2.316 0.020 . 1 . . . . 21 VAL HB . 19417 1 174 . 1 1 19 19 VAL HG11 H 1 0.962 0.020 . 1 . . . . 21 VAL HG1 . 19417 1 175 . 1 1 19 19 VAL HG12 H 1 0.962 0.020 . 1 . . . . 21 VAL HG1 . 19417 1 176 . 1 1 19 19 VAL HG13 H 1 0.962 0.020 . 1 . . . . 21 VAL HG1 . 19417 1 177 . 1 1 19 19 VAL HG21 H 1 0.851 0.020 . 1 . . . . 21 VAL HG2 . 19417 1 178 . 1 1 19 19 VAL HG22 H 1 0.851 0.020 . 1 . . . . 21 VAL HG2 . 19417 1 179 . 1 1 19 19 VAL HG23 H 1 0.851 0.020 . 1 . . . . 21 VAL HG2 . 19417 1 180 . 1 1 19 19 VAL CA C 13 60.480 0.200 . 1 . . . . 21 VAL CA . 19417 1 181 . 1 1 19 19 VAL CB C 13 32.778 0.200 . 1 . . . . 21 VAL CB . 19417 1 182 . 1 1 19 19 VAL CG1 C 13 20.979 0.200 . 1 . . . . 21 VAL CG1 . 19417 1 183 . 1 1 19 19 VAL CG2 C 13 17.463 0.200 . 1 . . . . 21 VAL CG2 . 19417 1 184 . 1 1 19 19 VAL N N 15 116.928 0.200 . 1 . . . . 21 VAL N . 19417 1 185 . 1 1 20 20 SER H H 1 8.675 0.020 . 1 . . . . 22 SER H . 19417 1 186 . 1 1 20 20 SER HA H 1 4.120 0.020 . 1 . . . . 22 SER HA . 19417 1 187 . 1 1 20 20 SER HB2 H 1 4.052 0.020 . 2 . . . . 22 SER HB2 . 19417 1 188 . 1 1 20 20 SER HB3 H 1 3.969 0.020 . 2 . . . . 22 SER HB3 . 19417 1 189 . 1 1 20 20 SER CA C 13 60.773 0.200 . 1 . . . . 22 SER CA . 19417 1 190 . 1 1 20 20 SER CB C 13 63.502 0.200 . 1 . . . . 22 SER CB . 19417 1 191 . 1 1 20 20 SER N N 15 116.820 0.200 . 1 . . . . 22 SER N . 19417 1 192 . 1 1 21 21 GLN H H 1 7.389 0.020 . 1 . . . . 23 GLN H . 19417 1 193 . 1 1 21 21 GLN HB2 H 1 1.371 0.020 . 2 . . . . 23 GLN HB2 . 19417 1 194 . 1 1 21 21 GLN HB3 H 1 1.645 0.020 . 2 . . . . 23 GLN HB3 . 19417 1 195 . 1 1 21 21 GLN HG2 H 1 1.683 0.020 . 2 . . . . 23 GLN HG2 . 19417 1 196 . 1 1 21 21 GLN HG3 H 1 1.883 0.020 . 2 . . . . 23 GLN HG3 . 19417 1 197 . 1 1 21 21 GLN CA C 13 52.025 0.200 . 1 . . . . 23 GLN CA . 19417 1 198 . 1 1 21 21 GLN CB C 13 29.097 0.200 . 1 . . . . 23 GLN CB . 19417 1 199 . 1 1 21 21 GLN CG C 13 32.626 0.200 . 1 . . . . 23 GLN CG . 19417 1 200 . 1 1 21 21 GLN N N 15 119.850 0.200 . 1 . . . . 23 GLN N . 19417 1 201 . 1 1 22 22 PRO HA H 1 4.180 0.020 . 1 . . . . 24 PRO HA . 19417 1 202 . 1 1 22 22 PRO HB2 H 1 1.864 0.020 . 2 . . . . 24 PRO HB2 . 19417 1 203 . 1 1 22 22 PRO HB3 H 1 2.295 0.020 . 2 . . . . 24 PRO HB3 . 19417 1 204 . 1 1 22 22 PRO HG2 H 1 1.949 0.020 . 2 . . . . 24 PRO HG2 . 19417 1 205 . 1 1 22 22 PRO HG3 H 1 2.071 0.020 . 2 . . . . 24 PRO HG3 . 19417 1 206 . 1 1 22 22 PRO HD2 H 1 3.624 0.020 . 2 . . . . 24 PRO HD . 19417 1 207 . 1 1 22 22 PRO HD3 H 1 3.624 0.020 . 2 . . . . 24 PRO HD . 19417 1 208 . 1 1 22 22 PRO CA C 13 63.480 0.200 . 1 . . . . 24 PRO CA . 19417 1 209 . 1 1 22 22 PRO CB C 13 31.676 0.200 . 1 . . . . 24 PRO CB . 19417 1 210 . 1 1 22 22 PRO CG C 13 27.140 0.200 . 1 . . . . 24 PRO CG . 19417 1 211 . 1 1 22 22 PRO CD C 13 50.377 0.200 . 1 . . . . 24 PRO CD . 19417 1 212 . 1 1 23 23 GLY HA2 H 1 4.870 0.020 . 2 . . . . 25 GLY HA2 . 19417 1 213 . 1 1 23 23 GLY HA3 H 1 3.818 0.020 . 2 . . . . 25 GLY HA3 . 19417 1 214 . 1 1 23 23 GLY CA C 13 44.787 0.200 . 1 . . . . 25 GLY CA . 19417 1 215 . 1 1 24 24 LYS H H 1 7.640 0.020 . 1 . . . . 26 LYS H . 19417 1 216 . 1 1 24 24 LYS HA H 1 4.756 0.020 . 1 . . . . 26 LYS HA . 19417 1 217 . 1 1 24 24 LYS HB2 H 1 1.646 0.020 . 2 . . . . 26 LYS HB2 . 19417 1 218 . 1 1 24 24 LYS HB3 H 1 1.444 0.020 . 2 . . . . 26 LYS HB3 . 19417 1 219 . 1 1 24 24 LYS HG2 H 1 1.190 0.020 . 2 . . . . 26 LYS HG2 . 19417 1 220 . 1 1 24 24 LYS HG3 H 1 1.327 0.020 . 2 . . . . 26 LYS HG3 . 19417 1 221 . 1 1 24 24 LYS HD2 H 1 0.868 0.020 . 2 . . . . 26 LYS HD2 . 19417 1 222 . 1 1 24 24 LYS CA C 13 53.946 0.200 . 1 . . . . 26 LYS CA . 19417 1 223 . 1 1 24 24 LYS CB C 13 36.439 0.200 . 1 . . . . 26 LYS CB . 19417 1 224 . 1 1 24 24 LYS CG C 13 25.592 0.200 . 1 . . . . 26 LYS CG . 19417 1 225 . 1 1 24 24 LYS N N 15 119.009 0.200 . 1 . . . . 26 LYS N . 19417 1 226 . 1 1 25 25 ILE H H 1 9.252 0.020 . 1 . . . . 27 ILE H . 19417 1 227 . 1 1 25 25 ILE HA H 1 4.296 0.020 . 1 . . . . 27 ILE HA . 19417 1 228 . 1 1 25 25 ILE HB H 1 1.876 0.020 . 1 . . . . 27 ILE HB . 19417 1 229 . 1 1 25 25 ILE HG12 H 1 1.731 0.020 . 2 . . . . 27 ILE HG12 . 19417 1 230 . 1 1 25 25 ILE HG13 H 1 1.058 0.020 . 2 . . . . 27 ILE HG13 . 19417 1 231 . 1 1 25 25 ILE HG21 H 1 0.878 0.020 . 1 . . . . 27 ILE HG2 . 19417 1 232 . 1 1 25 25 ILE HG22 H 1 0.878 0.020 . 1 . . . . 27 ILE HG2 . 19417 1 233 . 1 1 25 25 ILE HG23 H 1 0.878 0.020 . 1 . . . . 27 ILE HG2 . 19417 1 234 . 1 1 25 25 ILE HD11 H 1 0.799 0.020 . 1 . . . . 27 ILE HD1 . 19417 1 235 . 1 1 25 25 ILE HD12 H 1 0.799 0.020 . 1 . . . . 27 ILE HD1 . 19417 1 236 . 1 1 25 25 ILE HD13 H 1 0.799 0.020 . 1 . . . . 27 ILE HD1 . 19417 1 237 . 1 1 25 25 ILE CA C 13 60.697 0.200 . 1 . . . . 27 ILE CA . 19417 1 238 . 1 1 25 25 ILE CB C 13 38.112 0.200 . 1 . . . . 27 ILE CB . 19417 1 239 . 1 1 25 25 ILE CG1 C 13 28.155 0.200 . 1 . . . . 27 ILE CG1 . 19417 1 240 . 1 1 25 25 ILE CG2 C 13 17.819 0.200 . 1 . . . . 27 ILE CG2 . 19417 1 241 . 1 1 25 25 ILE CD1 C 13 13.454 0.200 . 1 . . . . 27 ILE CD1 . 19417 1 242 . 1 1 25 25 ILE N N 15 125.179 0.200 . 1 . . . . 27 ILE N . 19417 1 243 . 1 1 26 26 GLU H H 1 8.342 0.020 . 1 . . . . 28 GLU H . 19417 1 244 . 1 1 26 26 GLU HA H 1 5.084 0.020 . 1 . . . . 28 GLU HA . 19417 1 245 . 1 1 26 26 GLU HB2 H 1 2.401 0.020 . 2 . . . . 28 GLU HB2 . 19417 1 246 . 1 1 26 26 GLU HB3 H 1 2.366 0.020 . 2 . . . . 28 GLU HB3 . 19417 1 247 . 1 1 26 26 GLU HG2 H 1 2.211 0.020 . 2 . . . . 28 GLU HG2 . 19417 1 248 . 1 1 26 26 GLU HG3 H 1 2.316 0.020 . 2 . . . . 28 GLU HG3 . 19417 1 249 . 1 1 26 26 GLU CA C 13 55.554 0.200 . 1 . . . . 28 GLU CA . 19417 1 250 . 1 1 26 26 GLU CB C 13 33.701 0.200 . 1 . . . . 28 GLU CB . 19417 1 251 . 1 1 26 26 GLU CG C 13 38.567 0.200 . 1 . . . . 28 GLU CG . 19417 1 252 . 1 1 26 26 GLU N N 15 131.429 0.200 . 1 . . . . 28 GLU N . 19417 1 253 . 1 1 27 27 VAL H H 1 9.135 0.020 . 1 . . . . 29 VAL H . 19417 1 254 . 1 1 27 27 VAL HA H 1 4.906 0.020 . 1 . . . . 29 VAL HA . 19417 1 255 . 1 1 27 27 VAL HB H 1 2.210 0.020 . 1 . . . . 29 VAL HB . 19417 1 256 . 1 1 27 27 VAL HG11 H 1 1.240 0.020 . 1 . . . . 29 VAL HG1 . 19417 1 257 . 1 1 27 27 VAL HG12 H 1 1.240 0.020 . 1 . . . . 29 VAL HG1 . 19417 1 258 . 1 1 27 27 VAL HG13 H 1 1.240 0.020 . 1 . . . . 29 VAL HG1 . 19417 1 259 . 1 1 27 27 VAL HG21 H 1 1.201 0.020 . 1 . . . . 29 VAL HG2 . 19417 1 260 . 1 1 27 27 VAL HG22 H 1 1.201 0.020 . 1 . . . . 29 VAL HG2 . 19417 1 261 . 1 1 27 27 VAL HG23 H 1 1.201 0.020 . 1 . . . . 29 VAL HG2 . 19417 1 262 . 1 1 27 27 VAL CA C 13 61.658 0.200 . 1 . . . . 29 VAL CA . 19417 1 263 . 1 1 27 27 VAL CB C 13 34.928 0.200 . 1 . . . . 29 VAL CB . 19417 1 264 . 1 1 27 27 VAL CG1 C 13 21.383 0.200 . 1 . . . . 29 VAL CG1 . 19417 1 265 . 1 1 27 27 VAL CG2 C 13 22.268 0.200 . 1 . . . . 29 VAL CG2 . 19417 1 266 . 1 1 27 27 VAL N N 15 128.565 0.200 . 1 . . . . 29 VAL N . 19417 1 267 . 1 1 28 28 VAL H H 1 9.116 0.020 . 1 . . . . 30 VAL H . 19417 1 268 . 1 1 28 28 VAL HA H 1 5.307 0.020 . 1 . . . . 30 VAL HA . 19417 1 269 . 1 1 28 28 VAL HB H 1 1.724 0.020 . 1 . . . . 30 VAL HB . 19417 1 270 . 1 1 28 28 VAL HG11 H 1 0.768 0.020 . 1 . . . . 30 VAL HG1 . 19417 1 271 . 1 1 28 28 VAL HG12 H 1 0.768 0.020 . 1 . . . . 30 VAL HG1 . 19417 1 272 . 1 1 28 28 VAL HG13 H 1 0.768 0.020 . 1 . . . . 30 VAL HG1 . 19417 1 273 . 1 1 28 28 VAL HG21 H 1 0.852 0.020 . 1 . . . . 30 VAL HG2 . 19417 1 274 . 1 1 28 28 VAL HG22 H 1 0.852 0.020 . 1 . . . . 30 VAL HG2 . 19417 1 275 . 1 1 28 28 VAL HG23 H 1 0.852 0.020 . 1 . . . . 30 VAL HG2 . 19417 1 276 . 1 1 28 28 VAL CA C 13 58.867 0.200 . 1 . . . . 30 VAL CA . 19417 1 277 . 1 1 28 28 VAL CB C 13 35.629 0.200 . 1 . . . . 30 VAL CB . 19417 1 278 . 1 1 28 28 VAL CG1 C 13 21.631 0.200 . 1 . . . . 30 VAL CG1 . 19417 1 279 . 1 1 28 28 VAL CG2 C 13 20.906 0.200 . 1 . . . . 30 VAL CG2 . 19417 1 280 . 1 1 28 28 VAL N N 15 126.980 0.200 . 1 . . . . 30 VAL N . 19417 1 281 . 1 1 29 29 GLU H H 1 8.423 0.020 . 1 . . . . 31 GLU H . 19417 1 282 . 1 1 29 29 GLU HA H 1 5.311 0.020 . 1 . . . . 31 GLU HA . 19417 1 283 . 1 1 29 29 GLU HB2 H 1 2.228 0.020 . 2 . . . . 31 GLU HB2 . 19417 1 284 . 1 1 29 29 GLU HB3 H 1 1.712 0.020 . 2 . . . . 31 GLU HB3 . 19417 1 285 . 1 1 29 29 GLU CA C 13 53.780 0.200 . 1 . . . . 31 GLU CA . 19417 1 286 . 1 1 29 29 GLU CB C 13 30.564 0.200 . 1 . . . . 31 GLU CB . 19417 1 287 . 1 1 29 29 GLU N N 15 124.460 0.200 . 1 . . . . 31 GLU N . 19417 1 288 . 1 1 30 30 LEU H H 1 9.453 0.020 . 1 . . . . 32 LEU H . 19417 1 289 . 1 1 30 30 LEU HA H 1 6.002 0.020 . 1 . . . . 32 LEU HA . 19417 1 290 . 1 1 30 30 LEU HB2 H 1 1.583 0.020 . 2 . . . . 32 LEU HB2 . 19417 1 291 . 1 1 30 30 LEU HB3 H 1 1.420 0.020 . 2 . . . . 32 LEU HB3 . 19417 1 292 . 1 1 30 30 LEU HG H 1 1.605 0.020 . 1 . . . . 32 LEU HG . 19417 1 293 . 1 1 30 30 LEU HD11 H 1 0.879 0.020 . 1 . . . . 32 LEU HD1 . 19417 1 294 . 1 1 30 30 LEU HD12 H 1 0.879 0.020 . 1 . . . . 32 LEU HD1 . 19417 1 295 . 1 1 30 30 LEU HD13 H 1 0.879 0.020 . 1 . . . . 32 LEU HD1 . 19417 1 296 . 1 1 30 30 LEU HD21 H 1 0.931 0.020 . 1 . . . . 32 LEU HD2 . 19417 1 297 . 1 1 30 30 LEU HD22 H 1 0.931 0.020 . 1 . . . . 32 LEU HD2 . 19417 1 298 . 1 1 30 30 LEU HD23 H 1 0.931 0.020 . 1 . . . . 32 LEU HD2 . 19417 1 299 . 1 1 30 30 LEU CA C 13 54.769 0.200 . 1 . . . . 32 LEU CA . 19417 1 300 . 1 1 30 30 LEU CB C 13 43.536 0.200 . 1 . . . . 32 LEU CB . 19417 1 301 . 1 1 30 30 LEU CG C 13 29.232 0.200 . 1 . . . . 32 LEU CG . 19417 1 302 . 1 1 30 30 LEU CD1 C 13 26.949 0.200 . 1 . . . . 32 LEU CD1 . 19417 1 303 . 1 1 30 30 LEU CD2 C 13 26.884 0.200 . 1 . . . . 32 LEU CD2 . 19417 1 304 . 1 1 30 30 LEU N N 15 128.080 0.200 . 1 . . . . 32 LEU N . 19417 1 305 . 1 1 31 31 PHE H H 1 8.213 0.020 . 1 . . . . 33 PHE H . 19417 1 306 . 1 1 31 31 PHE HA H 1 4.932 0.020 . 1 . . . . 33 PHE HA . 19417 1 307 . 1 1 31 31 PHE HB2 H 1 3.112 0.020 . 2 . . . . 33 PHE HB2 . 19417 1 308 . 1 1 31 31 PHE HB3 H 1 2.564 0.020 . 2 . . . . 33 PHE HB3 . 19417 1 309 . 1 1 31 31 PHE HD1 H 1 6.609 0.020 . 3 . . . . 33 PHE HD . 19417 1 310 . 1 1 31 31 PHE HD2 H 1 6.609 0.020 . 3 . . . . 33 PHE HD . 19417 1 311 . 1 1 31 31 PHE HE1 H 1 5.907 0.020 . 3 . . . . 33 PHE HE . 19417 1 312 . 1 1 31 31 PHE HE2 H 1 5.907 0.020 . 3 . . . . 33 PHE HE . 19417 1 313 . 1 1 31 31 PHE CA C 13 55.199 0.200 . 1 . . . . 33 PHE CA . 19417 1 314 . 1 1 31 31 PHE CB C 13 43.172 0.200 . 1 . . . . 33 PHE CB . 19417 1 315 . 1 1 31 31 PHE CD1 C 13 130.430 0.200 . 3 . . . . 33 PHE CD1 . 19417 1 316 . 1 1 31 31 PHE CE1 C 13 130.324 0.200 . 3 . . . . 33 PHE CE1 . 19417 1 317 . 1 1 31 31 PHE N N 15 118.276 0.200 . 1 . . . . 33 PHE N . 19417 1 318 . 1 1 32 32 TRP H H 1 6.941 0.020 . 1 . . . . 34 TRP H . 19417 1 319 . 1 1 32 32 TRP HA H 1 5.022 0.020 . 1 . . . . 34 TRP HA . 19417 1 320 . 1 1 32 32 TRP HB2 H 1 3.147 0.020 . 2 . . . . 34 TRP HB2 . 19417 1 321 . 1 1 32 32 TRP HB3 H 1 2.468 0.020 . 2 . . . . 34 TRP HB3 . 19417 1 322 . 1 1 32 32 TRP HD1 H 1 7.583 0.020 . 1 . . . . 34 TRP HD1 . 19417 1 323 . 1 1 32 32 TRP HE3 H 1 6.186 0.020 . 1 . . . . 34 TRP HE3 . 19417 1 324 . 1 1 32 32 TRP HZ2 H 1 7.169 0.020 . 1 . . . . 34 TRP HZ2 . 19417 1 325 . 1 1 32 32 TRP HH2 H 1 7.024 0.020 . 1 . . . . 34 TRP HH2 . 19417 1 326 . 1 1 32 32 TRP CA C 13 54.195 0.200 . 1 . . . . 34 TRP CA . 19417 1 327 . 1 1 32 32 TRP CB C 13 33.940 0.200 . 1 . . . . 34 TRP CB . 19417 1 328 . 1 1 32 32 TRP CD1 C 13 124.982 0.200 . 1 . . . . 34 TRP CD1 . 19417 1 329 . 1 1 32 32 TRP CE3 C 13 120.762 0.200 . 1 . . . . 34 TRP CE3 . 19417 1 330 . 1 1 32 32 TRP CZ2 C 13 113.788 0.200 . 1 . . . . 34 TRP CZ2 . 19417 1 331 . 1 1 32 32 TRP CH2 C 13 125.068 0.200 . 1 . . . . 34 TRP CH2 . 19417 1 332 . 1 1 32 32 TRP N N 15 121.775 0.200 . 1 . . . . 34 TRP N . 19417 1 333 . 1 1 32 32 TRP NE1 N 15 132.036 0.200 . 1 . . . . 34 TRP NE1 . 19417 1 334 . 1 1 33 33 TYR H H 1 8.633 0.020 . 1 . . . . 35 TYR H . 19417 1 335 . 1 1 33 33 TYR HA H 1 4.085 0.020 . 1 . . . . 35 TYR HA . 19417 1 336 . 1 1 33 33 TYR HB2 H 1 2.266 0.020 . 2 . . . . 35 TYR HB2 . 19417 1 337 . 1 1 33 33 TYR HB3 H 1 1.768 0.020 . 2 . . . . 35 TYR HB3 . 19417 1 338 . 1 1 33 33 TYR CA C 13 59.837 0.200 . 1 . . . . 35 TYR CA . 19417 1 339 . 1 1 33 33 TYR CB C 13 39.884 0.200 . 1 . . . . 35 TYR CB . 19417 1 340 . 1 1 33 33 TYR N N 15 130.626 0.200 . 1 . . . . 35 TYR N . 19417 1 341 . 1 1 34 34 GLY CA C 13 44.584 0.200 . 1 . . . . 36 GLY CA . 19417 1 342 . 1 1 35 35 CYS H H 1 6.994 0.020 . 1 . . . . 37 CYS H . 19417 1 343 . 1 1 35 35 CYS HA H 1 4.934 0.020 . 1 . . . . 37 CYS HA . 19417 1 344 . 1 1 35 35 CYS HB2 H 1 4.628 0.020 . 2 . . . . 37 CYS HB2 . 19417 1 345 . 1 1 35 35 CYS HB3 H 1 3.726 0.020 . 2 . . . . 37 CYS HB3 . 19417 1 346 . 1 1 35 35 CYS CA C 13 51.825 0.200 . 1 . . . . 37 CYS CA . 19417 1 347 . 1 1 35 35 CYS CB C 13 45.562 0.200 . 1 . . . . 37 CYS CB . 19417 1 348 . 1 1 35 35 CYS N N 15 124.086 0.200 . 1 . . . . 37 CYS N . 19417 1 349 . 1 1 36 36 PRO HA H 1 3.959 0.020 . 1 . . . . 38 PRO HA . 19417 1 350 . 1 1 36 36 PRO HB2 H 1 1.970 0.020 . 2 . . . . 38 PRO HB2 . 19417 1 351 . 1 1 36 36 PRO HB3 H 1 2.475 0.020 . 2 . . . . 38 PRO HB3 . 19417 1 352 . 1 1 36 36 PRO HG2 H 1 2.170 0.020 . 2 . . . . 38 PRO HG2 . 19417 1 353 . 1 1 36 36 PRO HG3 H 1 2.265 0.020 . 2 . . . . 38 PRO HG3 . 19417 1 354 . 1 1 36 36 PRO HD2 H 1 4.487 0.020 . 2 . . . . 38 PRO HD2 . 19417 1 355 . 1 1 36 36 PRO HD3 H 1 4.149 0.020 . 2 . . . . 38 PRO HD3 . 19417 1 356 . 1 1 36 36 PRO CA C 13 66.315 0.200 . 1 . . . . 38 PRO CA . 19417 1 357 . 1 1 36 36 PRO CB C 13 32.007 0.200 . 1 . . . . 38 PRO CB . 19417 1 358 . 1 1 36 36 PRO CG C 13 27.758 0.200 . 1 . . . . 38 PRO CG . 19417 1 359 . 1 1 36 36 PRO CD C 13 51.450 0.200 . 1 . . . . 38 PRO CD . 19417 1 360 . 1 1 37 37 HIS HA H 1 4.559 0.020 . 1 . . . . 39 HIS HA . 19417 1 361 . 1 1 37 37 HIS HB2 H 1 3.216 0.020 . 2 . . . . 39 HIS HB2 . 19417 1 362 . 1 1 37 37 HIS HB3 H 1 3.039 0.020 . 2 . . . . 39 HIS HB3 . 19417 1 363 . 1 1 37 37 HIS HD2 H 1 7.110 0.020 . 1 . . . . 39 HIS HD2 . 19417 1 364 . 1 1 37 37 HIS CA C 13 58.398 0.200 . 1 . . . . 39 HIS CA . 19417 1 365 . 1 1 37 37 HIS CB C 13 30.476 0.200 . 1 . . . . 39 HIS CB . 19417 1 366 . 1 1 37 37 HIS CD2 C 13 117.880 0.200 . 1 . . . . 39 HIS CD2 . 19417 1 367 . 1 1 38 38 CYS H H 1 9.040 0.020 . 1 . . . . 40 CYS H . 19417 1 368 . 1 1 38 38 CYS HA H 1 4.452 0.020 . 1 . . . . 40 CYS HA . 19417 1 369 . 1 1 38 38 CYS HB2 H 1 3.076 0.020 . 2 . . . . 40 CYS HB . 19417 1 370 . 1 1 38 38 CYS HB3 H 1 3.076 0.020 . 2 . . . . 40 CYS HB . 19417 1 371 . 1 1 38 38 CYS CA C 13 63.756 0.200 . 1 . . . . 40 CYS CA . 19417 1 372 . 1 1 38 38 CYS CB C 13 34.132 0.200 . 1 . . . . 40 CYS CB . 19417 1 373 . 1 1 38 38 CYS N N 15 118.380 0.200 . 1 . . . . 40 CYS N . 19417 1 374 . 1 1 39 39 TYR H H 1 7.628 0.020 . 1 . . . . 41 TYR H . 19417 1 375 . 1 1 39 39 TYR HA H 1 3.587 0.020 . 1 . . . . 41 TYR HA . 19417 1 376 . 1 1 39 39 TYR HB2 H 1 2.549 0.020 . 2 . . . . 41 TYR HB2 . 19417 1 377 . 1 1 39 39 TYR HB3 H 1 2.595 0.020 . 2 . . . . 41 TYR HB3 . 19417 1 378 . 1 1 39 39 TYR HD1 H 1 6.486 0.020 . 3 . . . . 41 TYR HD . 19417 1 379 . 1 1 39 39 TYR HD2 H 1 6.486 0.020 . 3 . . . . 41 TYR HD . 19417 1 380 . 1 1 39 39 TYR HE1 H 1 6.669 0.020 . 3 . . . . 41 TYR HE . 19417 1 381 . 1 1 39 39 TYR HE2 H 1 6.669 0.020 . 3 . . . . 41 TYR HE . 19417 1 382 . 1 1 39 39 TYR CA C 13 57.214 0.200 . 1 . . . . 41 TYR CA . 19417 1 383 . 1 1 39 39 TYR CB C 13 37.053 0.200 . 1 . . . . 41 TYR CB . 19417 1 384 . 1 1 39 39 TYR CD1 C 13 132.487 0.200 . 3 . . . . 41 TYR CD1 . 19417 1 385 . 1 1 39 39 TYR CE1 C 13 117.503 0.200 . 3 . . . . 41 TYR CE1 . 19417 1 386 . 1 1 39 39 TYR N N 15 122.134 0.200 . 1 . . . . 41 TYR N . 19417 1 387 . 1 1 40 40 ALA H H 1 7.908 0.020 . 1 . . . . 42 ALA H . 19417 1 388 . 1 1 40 40 ALA HA H 1 3.771 0.020 . 1 . . . . 42 ALA HA . 19417 1 389 . 1 1 40 40 ALA HB1 H 1 1.417 0.020 . 1 . . . . 42 ALA HB . 19417 1 390 . 1 1 40 40 ALA HB2 H 1 1.417 0.020 . 1 . . . . 42 ALA HB . 19417 1 391 . 1 1 40 40 ALA HB3 H 1 1.417 0.020 . 1 . . . . 42 ALA HB . 19417 1 392 . 1 1 40 40 ALA CA C 13 53.607 0.200 . 1 . . . . 42 ALA CA . 19417 1 393 . 1 1 40 40 ALA CB C 13 18.085 0.200 . 1 . . . . 42 ALA CB . 19417 1 394 . 1 1 40 40 ALA N N 15 119.531 0.200 . 1 . . . . 42 ALA N . 19417 1 395 . 1 1 41 41 PHE H H 1 7.418 0.020 . 1 . . . . 43 PHE H . 19417 1 396 . 1 1 41 41 PHE HA H 1 4.836 0.020 . 1 . . . . 43 PHE HA . 19417 1 397 . 1 1 41 41 PHE HB2 H 1 3.499 0.020 . 2 . . . . 43 PHE HB2 . 19417 1 398 . 1 1 41 41 PHE HB3 H 1 3.076 0.020 . 2 . . . . 43 PHE HB3 . 19417 1 399 . 1 1 41 41 PHE HD1 H 1 7.185 0.020 . 3 . . . . 43 PHE HD . 19417 1 400 . 1 1 41 41 PHE HD2 H 1 7.185 0.020 . 3 . . . . 43 PHE HD . 19417 1 401 . 1 1 41 41 PHE HE1 H 1 6.855 0.020 . 3 . . . . 43 PHE HE . 19417 1 402 . 1 1 41 41 PHE HE2 H 1 6.855 0.020 . 3 . . . . 43 PHE HE . 19417 1 403 . 1 1 41 41 PHE CA C 13 54.655 0.200 . 1 . . . . 43 PHE CA . 19417 1 404 . 1 1 41 41 PHE CB C 13 40.318 0.200 . 1 . . . . 43 PHE CB . 19417 1 405 . 1 1 41 41 PHE CD1 C 13 130.421 0.200 . 3 . . . . 43 PHE CD1 . 19417 1 406 . 1 1 41 41 PHE CE2 C 13 128.907 0.200 . 3 . . . . 43 PHE CE2 . 19417 1 407 . 1 1 41 41 PHE N N 15 116.083 0.200 . 1 . . . . 43 PHE N . 19417 1 408 . 1 1 42 42 GLU H H 1 7.203 0.020 . 1 . . . . 44 GLU H . 19417 1 409 . 1 1 42 42 GLU HA H 1 4.208 0.020 . 1 . . . . 44 GLU HA . 19417 1 410 . 1 1 42 42 GLU HB2 H 1 1.963 0.020 . 2 . . . . 44 GLU HB2 . 19417 1 411 . 1 1 42 42 GLU HB3 H 1 1.930 0.020 . 2 . . . . 44 GLU HB3 . 19417 1 412 . 1 1 42 42 GLU CA C 13 60.231 0.200 . 1 . . . . 44 GLU CA . 19417 1 413 . 1 1 42 42 GLU CB C 13 26.540 0.200 . 1 . . . . 44 GLU CB . 19417 1 414 . 1 1 42 42 GLU N N 15 122.153 0.200 . 1 . . . . 44 GLU N . 19417 1 415 . 1 1 43 43 PRO HA H 1 4.371 0.020 . 1 . . . . 45 PRO HA . 19417 1 416 . 1 1 43 43 PRO HB2 H 1 2.184 0.020 . 2 . . . . 45 PRO HB2 . 19417 1 417 . 1 1 43 43 PRO HB3 H 1 1.783 0.020 . 2 . . . . 45 PRO HB3 . 19417 1 418 . 1 1 43 43 PRO HG2 H 1 1.928 0.020 . 2 . . . . 45 PRO HG2 . 19417 1 419 . 1 1 43 43 PRO HG3 H 1 2.031 0.020 . 2 . . . . 45 PRO HG3 . 19417 1 420 . 1 1 43 43 PRO HD2 H 1 3.567 0.020 . 2 . . . . 45 PRO HD2 . 19417 1 421 . 1 1 43 43 PRO HD3 H 1 3.491 0.020 . 2 . . . . 45 PRO HD3 . 19417 1 422 . 1 1 43 43 PRO CA C 13 64.362 0.200 . 1 . . . . 45 PRO CA . 19417 1 423 . 1 1 43 43 PRO CB C 13 30.660 0.200 . 1 . . . . 45 PRO CB . 19417 1 424 . 1 1 43 43 PRO CG C 13 27.353 0.200 . 1 . . . . 45 PRO CG . 19417 1 425 . 1 1 43 43 PRO CD C 13 49.564 0.200 . 1 . . . . 45 PRO CD . 19417 1 426 . 1 1 44 44 THR H H 1 7.541 0.020 . 1 . . . . 46 THR H . 19417 1 427 . 1 1 44 44 THR HA H 1 4.164 0.020 . 1 . . . . 46 THR HA . 19417 1 428 . 1 1 44 44 THR HB H 1 4.004 0.020 . 1 . . . . 46 THR HB . 19417 1 429 . 1 1 44 44 THR HG21 H 1 1.078 0.020 . 1 . . . . 46 THR HG2 . 19417 1 430 . 1 1 44 44 THR HG22 H 1 1.078 0.020 . 1 . . . . 46 THR HG2 . 19417 1 431 . 1 1 44 44 THR HG23 H 1 1.078 0.020 . 1 . . . . 46 THR HG2 . 19417 1 432 . 1 1 44 44 THR CA C 13 63.887 0.200 . 1 . . . . 46 THR CA . 19417 1 433 . 1 1 44 44 THR CB C 13 68.527 0.200 . 1 . . . . 46 THR CB . 19417 1 434 . 1 1 44 44 THR CG2 C 13 22.492 0.200 . 1 . . . . 46 THR CG2 . 19417 1 435 . 1 1 44 44 THR N N 15 114.322 0.200 . 1 . . . . 46 THR N . 19417 1 436 . 1 1 45 45 ILE H H 1 7.775 0.020 . 1 . . . . 47 ILE H . 19417 1 437 . 1 1 45 45 ILE HA H 1 3.819 0.020 . 1 . . . . 47 ILE HA . 19417 1 438 . 1 1 45 45 ILE HB H 1 0.266 0.020 . 1 . . . . 47 ILE HB . 19417 1 439 . 1 1 45 45 ILE HG12 H 1 0.943 0.020 . 2 . . . . 47 ILE HG12 . 19417 1 440 . 1 1 45 45 ILE HG13 H 1 1.232 0.020 . 2 . . . . 47 ILE HG13 . 19417 1 441 . 1 1 45 45 ILE HG21 H 1 0.547 0.020 . 1 . . . . 47 ILE HG2 . 19417 1 442 . 1 1 45 45 ILE HG22 H 1 0.547 0.020 . 1 . . . . 47 ILE HG2 . 19417 1 443 . 1 1 45 45 ILE HG23 H 1 0.547 0.020 . 1 . . . . 47 ILE HG2 . 19417 1 444 . 1 1 45 45 ILE HD11 H 1 0.690 0.020 . 1 . . . . 47 ILE HD1 . 19417 1 445 . 1 1 45 45 ILE HD12 H 1 0.690 0.020 . 1 . . . . 47 ILE HD1 . 19417 1 446 . 1 1 45 45 ILE HD13 H 1 0.690 0.020 . 1 . . . . 47 ILE HD1 . 19417 1 447 . 1 1 45 45 ILE CA C 13 63.232 0.200 . 1 . . . . 47 ILE CA . 19417 1 448 . 1 1 45 45 ILE CB C 13 36.666 0.200 . 1 . . . . 47 ILE CB . 19417 1 449 . 1 1 45 45 ILE CG1 C 13 29.631 0.200 . 1 . . . . 47 ILE CG1 . 19417 1 450 . 1 1 45 45 ILE CG2 C 13 16.391 0.200 . 1 . . . . 47 ILE CG2 . 19417 1 451 . 1 1 45 45 ILE CD1 C 13 13.892 0.200 . 1 . . . . 47 ILE CD1 . 19417 1 452 . 1 1 45 45 ILE N N 15 121.539 0.200 . 1 . . . . 47 ILE N . 19417 1 453 . 1 1 46 46 VAL H H 1 7.988 0.020 . 1 . . . . 48 VAL H . 19417 1 454 . 1 1 46 46 VAL HA H 1 3.525 0.020 . 1 . . . . 48 VAL HA . 19417 1 455 . 1 1 46 46 VAL HB H 1 2.024 0.020 . 1 . . . . 48 VAL HB . 19417 1 456 . 1 1 46 46 VAL HG11 H 1 0.466 0.020 . 1 . . . . 48 VAL HG1 . 19417 1 457 . 1 1 46 46 VAL HG12 H 1 0.466 0.020 . 1 . . . . 48 VAL HG1 . 19417 1 458 . 1 1 46 46 VAL HG13 H 1 0.466 0.020 . 1 . . . . 48 VAL HG1 . 19417 1 459 . 1 1 46 46 VAL HG21 H 1 0.800 0.020 . 1 . . . . 48 VAL HG2 . 19417 1 460 . 1 1 46 46 VAL HG22 H 1 0.800 0.020 . 1 . . . . 48 VAL HG2 . 19417 1 461 . 1 1 46 46 VAL HG23 H 1 0.800 0.020 . 1 . . . . 48 VAL HG2 . 19417 1 462 . 1 1 46 46 VAL CA C 13 68.958 0.200 . 1 . . . . 48 VAL CA . 19417 1 463 . 1 1 46 46 VAL CB C 13 28.267 0.200 . 1 . . . . 48 VAL CB . 19417 1 464 . 1 1 46 46 VAL CG1 C 13 20.169 0.200 . 1 . . . . 48 VAL CG1 . 19417 1 465 . 1 1 46 46 VAL CG2 C 13 23.973 0.200 . 1 . . . . 48 VAL CG2 . 19417 1 466 . 1 1 46 46 VAL N N 15 123.137 0.200 . 1 . . . . 48 VAL N . 19417 1 467 . 1 1 47 47 PRO HA H 1 4.298 0.020 . 1 . . . . 49 PRO HA . 19417 1 468 . 1 1 47 47 PRO HB2 H 1 2.240 0.020 . 2 . . . . 49 PRO HB2 . 19417 1 469 . 1 1 47 47 PRO HB3 H 1 1.782 0.020 . 2 . . . . 49 PRO HB3 . 19417 1 470 . 1 1 47 47 PRO HG2 H 1 2.020 0.020 . 2 . . . . 49 PRO HG2 . 19417 1 471 . 1 1 47 47 PRO HG3 H 1 2.074 0.020 . 2 . . . . 49 PRO HG3 . 19417 1 472 . 1 1 47 47 PRO HD2 H 1 3.365 0.020 . 2 . . . . 49 PRO HD2 . 19417 1 473 . 1 1 47 47 PRO HD3 H 1 3.292 0.020 . 2 . . . . 49 PRO HD3 . 19417 1 474 . 1 1 47 47 PRO CA C 13 65.268 0.200 . 1 . . . . 49 PRO CA . 19417 1 475 . 1 1 47 47 PRO CB C 13 30.120 0.200 . 1 . . . . 49 PRO CB . 19417 1 476 . 1 1 47 47 PRO CG C 13 28.173 0.200 . 1 . . . . 49 PRO CG . 19417 1 477 . 1 1 47 47 PRO CD C 13 49.345 0.200 . 1 . . . . 49 PRO CD . 19417 1 478 . 1 1 48 48 TRP H H 1 6.439 0.020 . 1 . . . . 50 TRP H . 19417 1 479 . 1 1 48 48 TRP HA H 1 4.076 0.020 . 1 . . . . 50 TRP HA . 19417 1 480 . 1 1 48 48 TRP HB2 H 1 3.188 0.020 . 2 . . . . 50 TRP HB2 . 19417 1 481 . 1 1 48 48 TRP HB3 H 1 3.240 0.020 . 2 . . . . 50 TRP HB3 . 19417 1 482 . 1 1 48 48 TRP HD1 H 1 7.295 0.020 . 1 . . . . 50 TRP HD1 . 19417 1 483 . 1 1 48 48 TRP HE1 H 1 11.188 0.020 . 1 . . . . 50 TRP HE1 . 19417 1 484 . 1 1 48 48 TRP HE3 H 1 7.141 0.020 . 1 . . . . 50 TRP HE3 . 19417 1 485 . 1 1 48 48 TRP HZ2 H 1 7.393 0.020 . 1 . . . . 50 TRP HZ2 . 19417 1 486 . 1 1 48 48 TRP HZ3 H 1 6.422 0.020 . 1 . . . . 50 TRP HZ3 . 19417 1 487 . 1 1 48 48 TRP HH2 H 1 6.777 0.020 . 1 . . . . 50 TRP HH2 . 19417 1 488 . 1 1 48 48 TRP CA C 13 60.890 0.200 . 1 . . . . 50 TRP CA . 19417 1 489 . 1 1 48 48 TRP CB C 13 29.217 0.200 . 1 . . . . 50 TRP CB . 19417 1 490 . 1 1 48 48 TRP CD1 C 13 127.725 0.200 . 1 . . . . 50 TRP CD1 . 19417 1 491 . 1 1 48 48 TRP CE3 C 13 119.812 0.200 . 1 . . . . 50 TRP CE3 . 19417 1 492 . 1 1 48 48 TRP CZ2 C 13 115.801 0.200 . 1 . . . . 50 TRP CZ2 . 19417 1 493 . 1 1 48 48 TRP CZ3 C 13 119.752 0.200 . 1 . . . . 50 TRP CZ3 . 19417 1 494 . 1 1 48 48 TRP CH2 C 13 122.120 0.200 . 1 . . . . 50 TRP CH2 . 19417 1 495 . 1 1 48 48 TRP N N 15 117.811 0.200 . 1 . . . . 50 TRP N . 19417 1 496 . 1 1 48 48 TRP NE1 N 15 134.365 0.200 . 1 . . . . 50 TRP NE1 . 19417 1 497 . 1 1 49 49 SER H H 1 8.720 0.020 . 1 . . . . 51 SER H . 19417 1 498 . 1 1 49 49 SER HA H 1 3.163 0.020 . 1 . . . . 51 SER HA . 19417 1 499 . 1 1 49 49 SER HB2 H 1 2.673 0.020 . 2 . . . . 51 SER HB2 . 19417 1 500 . 1 1 49 49 SER HB3 H 1 3.067 0.020 . 2 . . . . 51 SER HB3 . 19417 1 501 . 1 1 49 49 SER CA C 13 60.100 0.200 . 1 . . . . 51 SER CA . 19417 1 502 . 1 1 49 49 SER CB C 13 61.382 0.200 . 1 . . . . 51 SER CB . 19417 1 503 . 1 1 49 49 SER N N 15 116.676 0.200 . 1 . . . . 51 SER N . 19417 1 504 . 1 1 50 50 GLU H H 1 7.325 0.020 . 1 . . . . 52 GLU H . 19417 1 505 . 1 1 50 50 GLU HA H 1 4.010 0.020 . 1 . . . . 52 GLU HA . 19417 1 506 . 1 1 50 50 GLU HB2 H 1 2.025 0.020 . 2 . . . . 52 GLU HB . 19417 1 507 . 1 1 50 50 GLU HB3 H 1 2.025 0.020 . 2 . . . . 52 GLU HB . 19417 1 508 . 1 1 50 50 GLU HG2 H 1 2.163 0.020 . 2 . . . . 52 GLU HG2 . 19417 1 509 . 1 1 50 50 GLU HG3 H 1 2.429 0.020 . 2 . . . . 52 GLU HG3 . 19417 1 510 . 1 1 50 50 GLU CA C 13 57.485 0.200 . 1 . . . . 52 GLU CA . 19417 1 511 . 1 1 50 50 GLU CB C 13 29.703 0.200 . 1 . . . . 52 GLU CB . 19417 1 512 . 1 1 50 50 GLU CG C 13 36.546 0.200 . 1 . . . . 52 GLU CG . 19417 1 513 . 1 1 50 50 GLU N N 15 122.412 0.200 . 1 . . . . 52 GLU N . 19417 1 514 . 1 1 51 51 LYS H H 1 6.979 0.020 . 1 . . . . 53 LYS H . 19417 1 515 . 1 1 51 51 LYS HA H 1 4.348 0.020 . 1 . . . . 53 LYS HA . 19417 1 516 . 1 1 51 51 LYS HB2 H 1 1.912 0.020 . 2 . . . . 53 LYS HB2 . 19417 1 517 . 1 1 51 51 LYS HB3 H 1 1.598 0.020 . 2 . . . . 53 LYS HB3 . 19417 1 518 . 1 1 51 51 LYS HG2 H 1 1.366 0.020 . 2 . . . . 53 LYS HG2 . 19417 1 519 . 1 1 51 51 LYS HG3 H 1 1.467 0.020 . 2 . . . . 53 LYS HG3 . 19417 1 520 . 1 1 51 51 LYS HD2 H 1 1.649 0.020 . 2 . . . . 53 LYS HD2 . 19417 1 521 . 1 1 51 51 LYS HD3 H 1 1.554 0.020 . 2 . . . . 53 LYS HD3 . 19417 1 522 . 1 1 51 51 LYS CA C 13 54.602 0.200 . 1 . . . . 53 LYS CA . 19417 1 523 . 1 1 51 51 LYS CB C 13 32.669 0.200 . 1 . . . . 53 LYS CB . 19417 1 524 . 1 1 51 51 LYS CG C 13 24.544 0.200 . 1 . . . . 53 LYS CG . 19417 1 525 . 1 1 51 51 LYS CD C 13 28.917 0.200 . 1 . . . . 53 LYS CD . 19417 1 526 . 1 1 51 51 LYS N N 15 117.280 0.200 . 1 . . . . 53 LYS N . 19417 1 527 . 1 1 52 52 LEU H H 1 6.678 0.020 . 1 . . . . 54 LEU H . 19417 1 528 . 1 1 52 52 LEU HA H 1 4.018 0.020 . 1 . . . . 54 LEU HA . 19417 1 529 . 1 1 52 52 LEU HB2 H 1 1.514 0.020 . 2 . . . . 54 LEU HB2 . 19417 1 530 . 1 1 52 52 LEU HB3 H 1 0.992 0.020 . 2 . . . . 54 LEU HB3 . 19417 1 531 . 1 1 52 52 LEU HG H 1 1.961 0.020 . 1 . . . . 54 LEU HG . 19417 1 532 . 1 1 52 52 LEU HD11 H 1 0.296 0.020 . 1 . . . . 54 LEU HD1 . 19417 1 533 . 1 1 52 52 LEU HD12 H 1 0.296 0.020 . 1 . . . . 54 LEU HD1 . 19417 1 534 . 1 1 52 52 LEU HD13 H 1 0.296 0.020 . 1 . . . . 54 LEU HD1 . 19417 1 535 . 1 1 52 52 LEU HD21 H 1 -0.069 0.020 . 1 . . . . 54 LEU HD2 . 19417 1 536 . 1 1 52 52 LEU HD22 H 1 -0.069 0.020 . 1 . . . . 54 LEU HD2 . 19417 1 537 . 1 1 52 52 LEU HD23 H 1 -0.069 0.020 . 1 . . . . 54 LEU HD2 . 19417 1 538 . 1 1 52 52 LEU CA C 13 53.186 0.200 . 1 . . . . 54 LEU CA . 19417 1 539 . 1 1 52 52 LEU CB C 13 41.283 0.200 . 1 . . . . 54 LEU CB . 19417 1 540 . 1 1 52 52 LEU CG C 13 33.505 0.200 . 1 . . . . 54 LEU CG . 19417 1 541 . 1 1 52 52 LEU CD1 C 13 24.958 0.200 . 1 . . . . 54 LEU CD1 . 19417 1 542 . 1 1 52 52 LEU CD2 C 13 21.181 0.200 . 1 . . . . 54 LEU CD2 . 19417 1 543 . 1 1 52 52 LEU N N 15 122.880 0.200 . 1 . . . . 54 LEU N . 19417 1 544 . 1 1 53 53 PRO HA H 1 4.578 0.020 . 1 . . . . 55 PRO HA . 19417 1 545 . 1 1 53 53 PRO HB2 H 1 2.316 0.020 . 2 . . . . 55 PRO HB2 . 19417 1 546 . 1 1 53 53 PRO HB3 H 1 2.206 0.020 . 2 . . . . 55 PRO HB3 . 19417 1 547 . 1 1 53 53 PRO HG2 H 1 1.992 0.020 . 2 . . . . 55 PRO HG . 19417 1 548 . 1 1 53 53 PRO HG3 H 1 1.992 0.020 . 2 . . . . 55 PRO HG . 19417 1 549 . 1 1 53 53 PRO HD2 H 1 3.741 0.020 . 2 . . . . 55 PRO HD2 . 19417 1 550 . 1 1 53 53 PRO HD3 H 1 3.229 0.020 . 2 . . . . 55 PRO HD3 . 19417 1 551 . 1 1 53 53 PRO CA C 13 61.916 0.200 . 1 . . . . 55 PRO CA . 19417 1 552 . 1 1 53 53 PRO CB C 13 32.603 0.200 . 1 . . . . 55 PRO CB . 19417 1 553 . 1 1 53 53 PRO CG C 13 27.184 0.200 . 1 . . . . 55 PRO CG . 19417 1 554 . 1 1 53 53 PRO CD C 13 49.751 0.200 . 1 . . . . 55 PRO CD . 19417 1 555 . 1 1 54 54 ALA H H 1 8.303 0.020 . 1 . . . . 56 ALA H . 19417 1 556 . 1 1 54 54 ALA HA H 1 4.186 0.020 . 1 . . . . 56 ALA HA . 19417 1 557 . 1 1 54 54 ALA HB1 H 1 1.465 0.020 . 1 . . . . 56 ALA HB . 19417 1 558 . 1 1 54 54 ALA HB2 H 1 1.465 0.020 . 1 . . . . 56 ALA HB . 19417 1 559 . 1 1 54 54 ALA HB3 H 1 1.465 0.020 . 1 . . . . 56 ALA HB . 19417 1 560 . 1 1 54 54 ALA CA C 13 53.868 0.200 . 1 . . . . 56 ALA CA . 19417 1 561 . 1 1 54 54 ALA CB C 13 18.813 0.200 . 1 . . . . 56 ALA CB . 19417 1 562 . 1 1 54 54 ALA N N 15 118.682 0.200 . 1 . . . . 56 ALA N . 19417 1 563 . 1 1 55 55 ASP H H 1 8.084 0.020 . 1 . . . . 57 ASP H . 19417 1 564 . 1 1 55 55 ASP HA H 1 4.588 0.020 . 1 . . . . 57 ASP HA . 19417 1 565 . 1 1 55 55 ASP HB2 H 1 3.243 0.020 . 2 . . . . 57 ASP HB2 . 19417 1 566 . 1 1 55 55 ASP HB3 H 1 2.530 0.020 . 2 . . . . 57 ASP HB3 . 19417 1 567 . 1 1 55 55 ASP CA C 13 52.714 0.200 . 1 . . . . 57 ASP CA . 19417 1 568 . 1 1 55 55 ASP CB C 13 38.595 0.200 . 1 . . . . 57 ASP CB . 19417 1 569 . 1 1 55 55 ASP N N 15 114.550 0.200 . 1 . . . . 57 ASP N . 19417 1 570 . 1 1 56 56 VAL H H 1 7.805 0.020 . 1 . . . . 58 VAL H . 19417 1 571 . 1 1 56 56 VAL HA H 1 4.980 0.020 . 1 . . . . 58 VAL HA . 19417 1 572 . 1 1 56 56 VAL HB H 1 1.974 0.020 . 1 . . . . 58 VAL HB . 19417 1 573 . 1 1 56 56 VAL HG11 H 1 1.001 0.020 . 1 . . . . 58 VAL HG1 . 19417 1 574 . 1 1 56 56 VAL HG12 H 1 1.001 0.020 . 1 . . . . 58 VAL HG1 . 19417 1 575 . 1 1 56 56 VAL HG13 H 1 1.001 0.020 . 1 . . . . 58 VAL HG1 . 19417 1 576 . 1 1 56 56 VAL HG21 H 1 0.840 0.020 . 1 . . . . 58 VAL HG2 . 19417 1 577 . 1 1 56 56 VAL HG22 H 1 0.840 0.020 . 1 . . . . 58 VAL HG2 . 19417 1 578 . 1 1 56 56 VAL HG23 H 1 0.840 0.020 . 1 . . . . 58 VAL HG2 . 19417 1 579 . 1 1 56 56 VAL CA C 13 60.188 0.200 . 1 . . . . 58 VAL CA . 19417 1 580 . 1 1 56 56 VAL CB C 13 33.543 0.200 . 1 . . . . 58 VAL CB . 19417 1 581 . 1 1 56 56 VAL CG1 C 13 23.252 0.200 . 1 . . . . 58 VAL CG1 . 19417 1 582 . 1 1 56 56 VAL CG2 C 13 22.468 0.200 . 1 . . . . 58 VAL CG2 . 19417 1 583 . 1 1 56 56 VAL N N 15 120.660 0.200 . 1 . . . . 58 VAL N . 19417 1 584 . 1 1 57 57 HIS H H 1 9.090 0.020 . 1 . . . . 59 HIS H . 19417 1 585 . 1 1 57 57 HIS HA H 1 5.048 0.020 . 1 . . . . 59 HIS HA . 19417 1 586 . 1 1 57 57 HIS HB2 H 1 3.083 0.020 . 2 . . . . 59 HIS HB2 . 19417 1 587 . 1 1 57 57 HIS HB3 H 1 2.550 0.020 . 2 . . . . 59 HIS HB3 . 19417 1 588 . 1 1 57 57 HIS HD2 H 1 6.951 0.020 . 1 . . . . 59 HIS HD2 . 19417 1 589 . 1 1 57 57 HIS CA C 13 53.844 0.200 . 1 . . . . 59 HIS CA . 19417 1 590 . 1 1 57 57 HIS CB C 13 33.129 0.200 . 1 . . . . 59 HIS CB . 19417 1 591 . 1 1 57 57 HIS CD2 C 13 119.706 0.200 . 1 . . . . 59 HIS CD2 . 19417 1 592 . 1 1 57 57 HIS N N 15 128.522 0.200 . 1 . . . . 59 HIS N . 19417 1 593 . 1 1 58 58 PHE H H 1 8.574 0.020 . 1 . . . . 60 PHE H . 19417 1 594 . 1 1 58 58 PHE HA H 1 5.463 0.020 . 1 . . . . 60 PHE HA . 19417 1 595 . 1 1 58 58 PHE HB2 H 1 2.930 0.020 . 2 . . . . 60 PHE HB2 . 19417 1 596 . 1 1 58 58 PHE HB3 H 1 2.696 0.020 . 2 . . . . 60 PHE HB3 . 19417 1 597 . 1 1 58 58 PHE HD1 H 1 7.139 0.020 . 3 . . . . 60 PHE HD . 19417 1 598 . 1 1 58 58 PHE HD2 H 1 7.139 0.020 . 3 . . . . 60 PHE HD . 19417 1 599 . 1 1 58 58 PHE HE1 H 1 7.142 0.020 . 3 . . . . 60 PHE HE . 19417 1 600 . 1 1 58 58 PHE HE2 H 1 7.142 0.020 . 3 . . . . 60 PHE HE . 19417 1 601 . 1 1 58 58 PHE CA C 13 55.918 0.200 . 1 . . . . 60 PHE CA . 19417 1 602 . 1 1 58 58 PHE CB C 13 40.650 0.200 . 1 . . . . 60 PHE CB . 19417 1 603 . 1 1 58 58 PHE CD1 C 13 131.771 0.200 . 3 . . . . 60 PHE CD1 . 19417 1 604 . 1 1 58 58 PHE CE1 C 13 130.491 0.200 . 3 . . . . 60 PHE CE1 . 19417 1 605 . 1 1 58 58 PHE N N 15 128.950 0.200 . 1 . . . . 60 PHE N . 19417 1 606 . 1 1 59 59 VAL H H 1 8.831 0.020 . 1 . . . . 61 VAL H . 19417 1 607 . 1 1 59 59 VAL HA H 1 3.941 0.020 . 1 . . . . 61 VAL HA . 19417 1 608 . 1 1 59 59 VAL HB H 1 1.777 0.020 . 1 . . . . 61 VAL HB . 19417 1 609 . 1 1 59 59 VAL HG11 H 1 0.807 0.020 . 1 . . . . 61 VAL HG1 . 19417 1 610 . 1 1 59 59 VAL HG12 H 1 0.807 0.020 . 1 . . . . 61 VAL HG1 . 19417 1 611 . 1 1 59 59 VAL HG13 H 1 0.807 0.020 . 1 . . . . 61 VAL HG1 . 19417 1 612 . 1 1 59 59 VAL HG21 H 1 0.706 0.020 . 1 . . . . 61 VAL HG2 . 19417 1 613 . 1 1 59 59 VAL HG22 H 1 0.706 0.020 . 1 . . . . 61 VAL HG2 . 19417 1 614 . 1 1 59 59 VAL HG23 H 1 0.706 0.020 . 1 . . . . 61 VAL HG2 . 19417 1 615 . 1 1 59 59 VAL CA C 13 60.114 0.200 . 1 . . . . 61 VAL CA . 19417 1 616 . 1 1 59 59 VAL CB C 13 35.812 0.200 . 1 . . . . 61 VAL CB . 19417 1 617 . 1 1 59 59 VAL CG1 C 13 20.583 0.200 . 1 . . . . 61 VAL CG1 . 19417 1 618 . 1 1 59 59 VAL CG2 C 13 20.811 0.200 . 1 . . . . 61 VAL CG2 . 19417 1 619 . 1 1 59 59 VAL N N 15 129.680 0.200 . 1 . . . . 61 VAL N . 19417 1 620 . 1 1 60 60 ARG H H 1 8.332 0.020 . 1 . . . . 62 ARG H . 19417 1 621 . 1 1 60 60 ARG HA H 1 5.070 0.020 . 1 . . . . 62 ARG HA . 19417 1 622 . 1 1 60 60 ARG HB2 H 1 1.980 0.020 . 2 . . . . 62 ARG HB2 . 19417 1 623 . 1 1 60 60 ARG HB3 H 1 1.444 0.020 . 2 . . . . 62 ARG HB3 . 19417 1 624 . 1 1 60 60 ARG HG2 H 1 1.597 0.020 . 2 . . . . 62 ARG HG2 . 19417 1 625 . 1 1 60 60 ARG HG3 H 1 1.212 0.020 . 2 . . . . 62 ARG HG3 . 19417 1 626 . 1 1 60 60 ARG HD2 H 1 2.901 0.020 . 2 . . . . 62 ARG HD2 . 19417 1 627 . 1 1 60 60 ARG HD3 H 1 2.840 0.020 . 2 . . . . 62 ARG HD3 . 19417 1 628 . 1 1 60 60 ARG HE H 1 7.040 0.020 . 1 . . . . 62 ARG HE . 19417 1 629 . 1 1 60 60 ARG CA C 13 54.407 0.200 . 1 . . . . 62 ARG CA . 19417 1 630 . 1 1 60 60 ARG CB C 13 33.326 0.200 . 1 . . . . 62 ARG CB . 19417 1 631 . 1 1 60 60 ARG CG C 13 27.384 0.200 . 1 . . . . 62 ARG CG . 19417 1 632 . 1 1 60 60 ARG CD C 13 44.724 0.200 . 1 . . . . 62 ARG CD . 19417 1 633 . 1 1 60 60 ARG N N 15 123.685 0.200 . 1 . . . . 62 ARG N . 19417 1 634 . 1 1 60 60 ARG NE N 15 82.777 0.200 . 1 . . . . 62 ARG NE . 19417 1 635 . 1 1 61 61 LEU H H 1 8.794 0.020 . 1 . . . . 63 LEU H . 19417 1 636 . 1 1 61 61 LEU HA H 1 5.076 0.020 . 1 . . . . 63 LEU HA . 19417 1 637 . 1 1 61 61 LEU HB2 H 1 1.465 0.020 . 2 . . . . 63 LEU HB2 . 19417 1 638 . 1 1 61 61 LEU HB3 H 1 1.375 0.020 . 2 . . . . 63 LEU HB3 . 19417 1 639 . 1 1 61 61 LEU HG H 1 1.585 0.020 . 1 . . . . 63 LEU HG . 19417 1 640 . 1 1 61 61 LEU HD11 H 1 1.029 0.020 . 1 . . . . 63 LEU HD1 . 19417 1 641 . 1 1 61 61 LEU HD12 H 1 1.029 0.020 . 1 . . . . 63 LEU HD1 . 19417 1 642 . 1 1 61 61 LEU HD13 H 1 1.029 0.020 . 1 . . . . 63 LEU HD1 . 19417 1 643 . 1 1 61 61 LEU HD21 H 1 1.047 0.020 . 1 . . . . 63 LEU HD2 . 19417 1 644 . 1 1 61 61 LEU HD22 H 1 1.047 0.020 . 1 . . . . 63 LEU HD2 . 19417 1 645 . 1 1 61 61 LEU HD23 H 1 1.047 0.020 . 1 . . . . 63 LEU HD2 . 19417 1 646 . 1 1 61 61 LEU CA C 13 49.832 0.200 . 1 . . . . 63 LEU CA . 19417 1 647 . 1 1 61 61 LEU CB C 13 46.440 0.200 . 1 . . . . 63 LEU CB . 19417 1 648 . 1 1 61 61 LEU CG C 13 26.555 0.200 . 1 . . . . 63 LEU CG . 19417 1 649 . 1 1 61 61 LEU CD1 C 13 26.438 0.200 . 1 . . . . 63 LEU CD1 . 19417 1 650 . 1 1 61 61 LEU CD2 C 13 23.954 0.200 . 1 . . . . 63 LEU CD2 . 19417 1 651 . 1 1 61 61 LEU N N 15 121.580 0.200 . 1 . . . . 63 LEU N . 19417 1 652 . 1 1 62 62 PRO HA H 1 4.400 0.020 . 1 . . . . 64 PRO HA . 19417 1 653 . 1 1 62 62 PRO HD2 H 1 3.718 0.020 . 2 . . . . 64 PRO HD2 . 19417 1 654 . 1 1 62 62 PRO HD3 H 1 3.789 0.020 . 2 . . . . 64 PRO HD3 . 19417 1 655 . 1 1 62 62 PRO CA C 13 60.247 0.200 . 1 . . . . 64 PRO CA . 19417 1 656 . 1 1 62 62 PRO CB C 13 32.065 0.200 . 1 . . . . 64 PRO CB . 19417 1 657 . 1 1 62 62 PRO CD C 13 48.913 0.200 . 1 . . . . 64 PRO CD . 19417 1 658 . 1 1 63 63 ALA H H 1 7.530 0.020 . 1 . . . . 65 ALA H . 19417 1 659 . 1 1 63 63 ALA HA H 1 3.903 0.020 . 1 . . . . 65 ALA HA . 19417 1 660 . 1 1 63 63 ALA HB1 H 1 0.504 0.020 . 1 . . . . 65 ALA HB . 19417 1 661 . 1 1 63 63 ALA HB2 H 1 0.504 0.020 . 1 . . . . 65 ALA HB . 19417 1 662 . 1 1 63 63 ALA HB3 H 1 0.504 0.020 . 1 . . . . 65 ALA HB . 19417 1 663 . 1 1 63 63 ALA CA C 13 49.831 0.200 . 1 . . . . 65 ALA CA . 19417 1 664 . 1 1 63 63 ALA CB C 13 18.883 0.200 . 1 . . . . 65 ALA CB . 19417 1 665 . 1 1 63 63 ALA N N 15 123.090 0.200 . 1 . . . . 65 ALA N . 19417 1 666 . 1 1 64 64 LEU H H 1 8.317 0.020 . 1 . . . . 66 LEU H . 19417 1 667 . 1 1 64 64 LEU HA H 1 4.507 0.020 . 1 . . . . 66 LEU HA . 19417 1 668 . 1 1 64 64 LEU HB2 H 1 1.724 0.020 . 2 . . . . 66 LEU HB2 . 19417 1 669 . 1 1 64 64 LEU HB3 H 1 1.208 0.020 . 2 . . . . 66 LEU HB3 . 19417 1 670 . 1 1 64 64 LEU HG H 1 1.565 0.020 . 1 . . . . 66 LEU HG . 19417 1 671 . 1 1 64 64 LEU HD11 H 1 1.064 0.020 . 1 . . . . 66 LEU HD1 . 19417 1 672 . 1 1 64 64 LEU HD12 H 1 1.064 0.020 . 1 . . . . 66 LEU HD1 . 19417 1 673 . 1 1 64 64 LEU HD13 H 1 1.064 0.020 . 1 . . . . 66 LEU HD1 . 19417 1 674 . 1 1 64 64 LEU HD21 H 1 0.833 0.020 . 1 . . . . 66 LEU HD2 . 19417 1 675 . 1 1 64 64 LEU HD22 H 1 0.833 0.020 . 1 . . . . 66 LEU HD2 . 19417 1 676 . 1 1 64 64 LEU HD23 H 1 0.833 0.020 . 1 . . . . 66 LEU HD2 . 19417 1 677 . 1 1 64 64 LEU CA C 13 52.713 0.200 . 1 . . . . 66 LEU CA . 19417 1 678 . 1 1 64 64 LEU CB C 13 38.638 0.200 . 1 . . . . 66 LEU CB . 19417 1 679 . 1 1 64 64 LEU CG C 13 25.741 0.200 . 1 . . . . 66 LEU CG . 19417 1 680 . 1 1 64 64 LEU CD1 C 13 28.770 0.200 . 1 . . . . 66 LEU CD1 . 19417 1 681 . 1 1 64 64 LEU CD2 C 13 24.845 0.200 . 1 . . . . 66 LEU CD2 . 19417 1 682 . 1 1 64 64 LEU N N 15 127.886 0.200 . 1 . . . . 66 LEU N . 19417 1 683 . 1 1 65 65 PHE H H 1 5.879 0.020 . 1 . . . . 67 PHE H . 19417 1 684 . 1 1 65 65 PHE HA H 1 4.692 0.020 . 1 . . . . 67 PHE HA . 19417 1 685 . 1 1 65 65 PHE HB2 H 1 2.791 0.020 . 2 . . . . 67 PHE HB2 . 19417 1 686 . 1 1 65 65 PHE HB3 H 1 1.279 0.020 . 2 . . . . 67 PHE HB3 . 19417 1 687 . 1 1 65 65 PHE HD1 H 1 6.211 0.020 . 3 . . . . 67 PHE HD . 19417 1 688 . 1 1 65 65 PHE HD2 H 1 6.211 0.020 . 3 . . . . 67 PHE HD . 19417 1 689 . 1 1 65 65 PHE HE1 H 1 6.839 0.020 . 3 . . . . 67 PHE HE . 19417 1 690 . 1 1 65 65 PHE HE2 H 1 6.839 0.020 . 3 . . . . 67 PHE HE . 19417 1 691 . 1 1 65 65 PHE CA C 13 53.076 0.200 . 1 . . . . 67 PHE CA . 19417 1 692 . 1 1 65 65 PHE CB C 13 36.320 0.200 . 1 . . . . 67 PHE CB . 19417 1 693 . 1 1 65 65 PHE CD1 C 13 130.072 0.200 . 3 . . . . 67 PHE CD1 . 19417 1 694 . 1 1 65 65 PHE CE1 C 13 129.931 0.200 . 3 . . . . 67 PHE CE1 . 19417 1 695 . 1 1 65 65 PHE CZ C 13 129.891 0.200 . 1 . . . . 67 PHE CZ . 19417 1 696 . 1 1 65 65 PHE N N 15 120.270 0.200 . 1 . . . . 67 PHE N . 19417 1 697 . 1 1 66 66 GLY H H 1 8.139 0.020 . 1 . . . . 68 GLY H . 19417 1 698 . 1 1 66 66 GLY HA2 H 1 3.515 0.020 . 2 . . . . 68 GLY HA2 . 19417 1 699 . 1 1 66 66 GLY HA3 H 1 4.445 0.020 . 2 . . . . 68 GLY HA3 . 19417 1 700 . 1 1 66 66 GLY CA C 13 43.394 0.200 . 1 . . . . 68 GLY CA . 19417 1 701 . 1 1 66 66 GLY N N 15 110.260 0.200 . 1 . . . . 68 GLY N . 19417 1 702 . 1 1 68 68 ILE HA H 1 4.085 0.020 . 1 . . . . 70 ILE HA . 19417 1 703 . 1 1 68 68 ILE HB H 1 1.869 0.020 . 1 . . . . 70 ILE HB . 19417 1 704 . 1 1 68 68 ILE HG12 H 1 1.009 0.020 . 2 . . . . 70 ILE HG12 . 19417 1 705 . 1 1 68 68 ILE HG13 H 1 1.111 0.020 . 2 . . . . 70 ILE HG13 . 19417 1 706 . 1 1 68 68 ILE HG21 H 1 0.983 0.020 . 1 . . . . 70 ILE HG2 . 19417 1 707 . 1 1 68 68 ILE HG22 H 1 0.983 0.020 . 1 . . . . 70 ILE HG2 . 19417 1 708 . 1 1 68 68 ILE HG23 H 1 0.983 0.020 . 1 . . . . 70 ILE HG2 . 19417 1 709 . 1 1 68 68 ILE HD11 H 1 0.812 0.020 . 1 . . . . 70 ILE HD1 . 19417 1 710 . 1 1 68 68 ILE HD12 H 1 0.812 0.020 . 1 . . . . 70 ILE HD1 . 19417 1 711 . 1 1 68 68 ILE HD13 H 1 0.812 0.020 . 1 . . . . 70 ILE HD1 . 19417 1 712 . 1 1 68 68 ILE CA C 13 60.942 0.200 . 1 . . . . 70 ILE CA . 19417 1 713 . 1 1 68 68 ILE CB C 13 38.501 0.200 . 1 . . . . 70 ILE CB . 19417 1 714 . 1 1 68 68 ILE CG1 C 13 28.220 0.200 . 1 . . . . 70 ILE CG1 . 19417 1 715 . 1 1 68 68 ILE CG2 C 13 18.419 0.200 . 1 . . . . 70 ILE CG2 . 19417 1 716 . 1 1 68 68 ILE CD1 C 13 13.542 0.200 . 1 . . . . 70 ILE CD1 . 19417 1 717 . 1 1 69 69 TRP H H 1 7.899 0.020 . 1 . . . . 71 TRP H . 19417 1 718 . 1 1 69 69 TRP HA H 1 3.669 0.020 . 1 . . . . 71 TRP HA . 19417 1 719 . 1 1 69 69 TRP HB2 H 1 3.215 0.020 . 2 . . . . 71 TRP HB2 . 19417 1 720 . 1 1 69 69 TRP HB3 H 1 3.134 0.020 . 2 . . . . 71 TRP HB3 . 19417 1 721 . 1 1 69 69 TRP HD1 H 1 6.664 0.020 . 1 . . . . 71 TRP HD1 . 19417 1 722 . 1 1 69 69 TRP HE1 H 1 9.332 0.020 . 1 . . . . 71 TRP HE1 . 19417 1 723 . 1 1 69 69 TRP HZ2 H 1 7.383 0.020 . 1 . . . . 71 TRP HZ2 . 19417 1 724 . 1 1 69 69 TRP HZ3 H 1 6.553 0.020 . 1 . . . . 71 TRP HZ3 . 19417 1 725 . 1 1 69 69 TRP HH2 H 1 7.267 0.020 . 1 . . . . 71 TRP HH2 . 19417 1 726 . 1 1 69 69 TRP CA C 13 60.074 0.200 . 1 . . . . 71 TRP CA . 19417 1 727 . 1 1 69 69 TRP CB C 13 26.477 0.200 . 1 . . . . 71 TRP CB . 19417 1 728 . 1 1 69 69 TRP CD1 C 13 125.343 0.200 . 1 . . . . 71 TRP CD1 . 19417 1 729 . 1 1 69 69 TRP CZ2 C 13 115.106 0.200 . 1 . . . . 71 TRP CZ2 . 19417 1 730 . 1 1 69 69 TRP CZ3 C 13 121.737 0.200 . 1 . . . . 71 TRP CZ3 . 19417 1 731 . 1 1 69 69 TRP CH2 C 13 122.973 0.200 . 1 . . . . 71 TRP CH2 . 19417 1 732 . 1 1 69 69 TRP N N 15 121.400 0.200 . 1 . . . . 71 TRP N . 19417 1 733 . 1 1 69 69 TRP NE1 N 15 130.527 0.200 . 1 . . . . 71 TRP NE1 . 19417 1 734 . 1 1 70 70 ASN H H 1 7.254 0.020 . 1 . . . . 72 ASN H . 19417 1 735 . 1 1 70 70 ASN HA H 1 4.510 0.020 . 1 . . . . 72 ASN HA . 19417 1 736 . 1 1 70 70 ASN HB2 H 1 3.005 0.020 . 2 . . . . 72 ASN HB2 . 19417 1 737 . 1 1 70 70 ASN HB3 H 1 2.810 0.020 . 2 . . . . 72 ASN HB3 . 19417 1 738 . 1 1 70 70 ASN HD21 H 1 7.077 0.020 . 2 . . . . 72 ASN HD21 . 19417 1 739 . 1 1 70 70 ASN HD22 H 1 7.520 0.020 . 2 . . . . 72 ASN HD22 . 19417 1 740 . 1 1 70 70 ASN CA C 13 54.836 0.200 . 1 . . . . 72 ASN CA . 19417 1 741 . 1 1 70 70 ASN CB C 13 36.031 0.200 . 1 . . . . 72 ASN CB . 19417 1 742 . 1 1 70 70 ASN N N 15 121.037 0.200 . 1 . . . . 72 ASN N . 19417 1 743 . 1 1 70 70 ASN ND2 N 15 108.967 0.200 . 1 . . . . 72 ASN ND2 . 19417 1 744 . 1 1 71 71 VAL H H 1 7.101 0.020 . 1 . . . . 73 VAL H . 19417 1 745 . 1 1 71 71 VAL HA H 1 4.120 0.020 . 1 . . . . 73 VAL HA . 19417 1 746 . 1 1 71 71 VAL HB H 1 2.228 0.020 . 1 . . . . 73 VAL HB . 19417 1 747 . 1 1 71 71 VAL HG11 H 1 1.072 0.020 . 1 . . . . 73 VAL HG1 . 19417 1 748 . 1 1 71 71 VAL HG12 H 1 1.072 0.020 . 1 . . . . 73 VAL HG1 . 19417 1 749 . 1 1 71 71 VAL HG13 H 1 1.072 0.020 . 1 . . . . 73 VAL HG1 . 19417 1 750 . 1 1 71 71 VAL HG21 H 1 1.116 0.020 . 1 . . . . 73 VAL HG2 . 19417 1 751 . 1 1 71 71 VAL HG22 H 1 1.116 0.020 . 1 . . . . 73 VAL HG2 . 19417 1 752 . 1 1 71 71 VAL HG23 H 1 1.116 0.020 . 1 . . . . 73 VAL HG2 . 19417 1 753 . 1 1 71 71 VAL CA C 13 65.122 0.200 . 1 . . . . 73 VAL CA . 19417 1 754 . 1 1 71 71 VAL CB C 13 31.526 0.200 . 1 . . . . 73 VAL CB . 19417 1 755 . 1 1 71 71 VAL CG1 C 13 21.177 0.200 . 1 . . . . 73 VAL CG1 . 19417 1 756 . 1 1 71 71 VAL CG2 C 13 21.180 0.200 . 1 . . . . 73 VAL CG2 . 19417 1 757 . 1 1 71 71 VAL N N 15 121.452 0.200 . 1 . . . . 73 VAL N . 19417 1 758 . 1 1 72 72 HIS H H 1 8.528 0.020 . 1 . . . . 74 HIS H . 19417 1 759 . 1 1 72 72 HIS HA H 1 4.867 0.020 . 1 . . . . 74 HIS HA . 19417 1 760 . 1 1 72 72 HIS HB2 H 1 3.712 0.020 . 2 . . . . 74 HIS HB . 19417 1 761 . 1 1 72 72 HIS HB3 H 1 3.712 0.020 . 2 . . . . 74 HIS HB . 19417 1 762 . 1 1 72 72 HIS HD1 H 1 10.864 0.020 . 1 . . . . 74 HIS HD1 . 19417 1 763 . 1 1 72 72 HIS HD2 H 1 7.097 0.020 . 1 . . . . 74 HIS HD2 . 19417 1 764 . 1 1 72 72 HIS HE1 H 1 7.706 0.020 . 1 . . . . 74 HIS HE1 . 19417 1 765 . 1 1 72 72 HIS CA C 13 57.383 0.200 . 1 . . . . 74 HIS CA . 19417 1 766 . 1 1 72 72 HIS CB C 13 32.588 0.200 . 1 . . . . 74 HIS CB . 19417 1 767 . 1 1 72 72 HIS CD2 C 13 114.436 0.200 . 1 . . . . 74 HIS CD2 . 19417 1 768 . 1 1 72 72 HIS CE1 C 13 138.107 0.200 . 1 . . . . 74 HIS CE1 . 19417 1 769 . 1 1 72 72 HIS N N 15 120.122 0.200 . 1 . . . . 74 HIS N . 19417 1 770 . 1 1 72 72 HIS NE2 N 15 186.474 0.200 . 1 . . . . 74 HIS NE2 . 19417 1 771 . 1 1 73 73 GLY H H 1 8.573 0.020 . 1 . . . . 75 GLY H . 19417 1 772 . 1 1 73 73 GLY HA2 H 1 3.774 0.020 . 2 . . . . 75 GLY HA . 19417 1 773 . 1 1 73 73 GLY HA3 H 1 3.774 0.020 . 2 . . . . 75 GLY HA . 19417 1 774 . 1 1 73 73 GLY CA C 13 47.959 0.200 . 1 . . . . 75 GLY CA . 19417 1 775 . 1 1 73 73 GLY N N 15 109.580 0.200 . 1 . . . . 75 GLY N . 19417 1 776 . 1 1 74 74 GLN H H 1 8.745 0.020 . 1 . . . . 76 GLN H . 19417 1 777 . 1 1 74 74 GLN HA H 1 3.989 0.020 . 1 . . . . 76 GLN HA . 19417 1 778 . 1 1 74 74 GLN HB2 H 1 2.418 0.020 . 2 . . . . 76 GLN HB2 . 19417 1 779 . 1 1 74 74 GLN HB3 H 1 2.265 0.020 . 2 . . . . 76 GLN HB3 . 19417 1 780 . 1 1 74 74 GLN HG2 H 1 1.851 0.020 . 2 . . . . 76 GLN HG2 . 19417 1 781 . 1 1 74 74 GLN HG3 H 1 1.218 0.020 . 2 . . . . 76 GLN HG3 . 19417 1 782 . 1 1 74 74 GLN CA C 13 60.529 0.200 . 1 . . . . 76 GLN CA . 19417 1 783 . 1 1 74 74 GLN CB C 13 26.852 0.200 . 1 . . . . 76 GLN CB . 19417 1 784 . 1 1 74 74 GLN CG C 13 33.375 0.200 . 1 . . . . 76 GLN CG . 19417 1 785 . 1 1 74 74 GLN N N 15 126.754 0.200 . 1 . . . . 76 GLN N . 19417 1 786 . 1 1 74 74 GLN NE2 N 15 111.791 0.200 . 1 . . . . 76 GLN NE2 . 19417 1 787 . 1 1 75 75 MET H H 1 8.637 0.020 . 1 . . . . 77 MET H . 19417 1 788 . 1 1 75 75 MET HA H 1 4.391 0.020 . 1 . . . . 77 MET HA . 19417 1 789 . 1 1 75 75 MET HB2 H 1 3.174 0.020 . 2 . . . . 77 MET HB . 19417 1 790 . 1 1 75 75 MET HB3 H 1 3.174 0.020 . 2 . . . . 77 MET HB . 19417 1 791 . 1 1 75 75 MET HG2 H 1 2.912 0.020 . 2 . . . . 77 MET HG2 . 19417 1 792 . 1 1 75 75 MET HG3 H 1 2.688 0.020 . 2 . . . . 77 MET HG3 . 19417 1 793 . 1 1 75 75 MET HE1 H 1 1.934 0.020 . 1 . . . . 77 MET HE . 19417 1 794 . 1 1 75 75 MET HE2 H 1 1.934 0.020 . 1 . . . . 77 MET HE . 19417 1 795 . 1 1 75 75 MET HE3 H 1 1.934 0.020 . 1 . . . . 77 MET HE . 19417 1 796 . 1 1 75 75 MET CA C 13 60.539 0.200 . 1 . . . . 77 MET CA . 19417 1 797 . 1 1 75 75 MET CB C 13 30.762 0.200 . 1 . . . . 77 MET CB . 19417 1 798 . 1 1 75 75 MET CG C 13 30.523 0.200 . 1 . . . . 77 MET CG . 19417 1 799 . 1 1 75 75 MET CE C 13 16.712 0.200 . 1 . . . . 77 MET CE . 19417 1 800 . 1 1 75 75 MET N N 15 123.857 0.200 . 1 . . . . 77 MET N . 19417 1 801 . 1 1 76 76 PHE H H 1 8.666 0.020 . 1 . . . . 78 PHE H . 19417 1 802 . 1 1 76 76 PHE HA H 1 4.792 0.020 . 1 . . . . 78 PHE HA . 19417 1 803 . 1 1 76 76 PHE HB2 H 1 3.425 0.020 . 2 . . . . 78 PHE HB . 19417 1 804 . 1 1 76 76 PHE HB3 H 1 3.425 0.020 . 2 . . . . 78 PHE HB . 19417 1 805 . 1 1 76 76 PHE HD1 H 1 7.223 0.020 . 3 . . . . 78 PHE HD . 19417 1 806 . 1 1 76 76 PHE HD2 H 1 7.223 0.020 . 3 . . . . 78 PHE HD . 19417 1 807 . 1 1 76 76 PHE CA C 13 62.303 0.200 . 1 . . . . 78 PHE CA . 19417 1 808 . 1 1 76 76 PHE CB C 13 38.150 0.200 . 1 . . . . 78 PHE CB . 19417 1 809 . 1 1 76 76 PHE CD1 C 13 131.692 0.200 . 3 . . . . 78 PHE CD1 . 19417 1 810 . 1 1 76 76 PHE N N 15 120.356 0.200 . 1 . . . . 78 PHE N . 19417 1 811 . 1 1 77 77 LEU H H 1 8.516 0.020 . 1 . . . . 79 LEU H . 19417 1 812 . 1 1 77 77 LEU HA H 1 3.778 0.020 . 1 . . . . 79 LEU HA . 19417 1 813 . 1 1 77 77 LEU HB2 H 1 1.886 0.020 . 2 . . . . 79 LEU HB2 . 19417 1 814 . 1 1 77 77 LEU HB3 H 1 1.479 0.020 . 2 . . . . 79 LEU HB3 . 19417 1 815 . 1 1 77 77 LEU HG H 1 2.118 0.020 . 1 . . . . 79 LEU HG . 19417 1 816 . 1 1 77 77 LEU HD11 H 1 0.856 0.020 . 1 . . . . 79 LEU HD1 . 19417 1 817 . 1 1 77 77 LEU HD12 H 1 0.856 0.020 . 1 . . . . 79 LEU HD1 . 19417 1 818 . 1 1 77 77 LEU HD13 H 1 0.856 0.020 . 1 . . . . 79 LEU HD1 . 19417 1 819 . 1 1 77 77 LEU HD21 H 1 1.106 0.020 . 1 . . . . 79 LEU HD2 . 19417 1 820 . 1 1 77 77 LEU HD22 H 1 1.106 0.020 . 1 . . . . 79 LEU HD2 . 19417 1 821 . 1 1 77 77 LEU HD23 H 1 1.106 0.020 . 1 . . . . 79 LEU HD2 . 19417 1 822 . 1 1 77 77 LEU CA C 13 57.251 0.200 . 1 . . . . 79 LEU CA . 19417 1 823 . 1 1 77 77 LEU CB C 13 41.817 0.200 . 1 . . . . 79 LEU CB . 19417 1 824 . 1 1 77 77 LEU CG C 13 26.999 0.200 . 1 . . . . 79 LEU CG . 19417 1 825 . 1 1 77 77 LEU CD1 C 13 26.267 0.200 . 1 . . . . 79 LEU CD1 . 19417 1 826 . 1 1 77 77 LEU CD2 C 13 22.303 0.200 . 1 . . . . 79 LEU CD2 . 19417 1 827 . 1 1 77 77 LEU N N 15 117.562 0.200 . 1 . . . . 79 LEU N . 19417 1 828 . 1 1 78 78 THR H H 1 8.216 0.020 . 1 . . . . 80 THR H . 19417 1 829 . 1 1 78 78 THR HA H 1 4.531 0.020 . 1 . . . . 80 THR HA . 19417 1 830 . 1 1 78 78 THR HB H 1 3.594 0.020 . 1 . . . . 80 THR HB . 19417 1 831 . 1 1 78 78 THR HG21 H 1 0.870 0.020 . 1 . . . . 80 THR HG2 . 19417 1 832 . 1 1 78 78 THR HG22 H 1 0.870 0.020 . 1 . . . . 80 THR HG2 . 19417 1 833 . 1 1 78 78 THR HG23 H 1 0.870 0.020 . 1 . . . . 80 THR HG2 . 19417 1 834 . 1 1 78 78 THR CA C 13 67.249 0.200 . 1 . . . . 80 THR CA . 19417 1 835 . 1 1 78 78 THR CB C 13 67.760 0.200 . 1 . . . . 80 THR CB . 19417 1 836 . 1 1 78 78 THR CG2 C 13 22.538 0.200 . 1 . . . . 80 THR CG2 . 19417 1 837 . 1 1 78 78 THR N N 15 120.067 0.200 . 1 . . . . 80 THR N . 19417 1 838 . 1 1 79 79 LEU H H 1 8.464 0.020 . 1 . . . . 81 LEU H . 19417 1 839 . 1 1 79 79 LEU HA H 1 4.126 0.020 . 1 . . . . 81 LEU HA . 19417 1 840 . 1 1 79 79 LEU HB2 H 1 2.135 0.020 . 2 . . . . 81 LEU HB2 . 19417 1 841 . 1 1 79 79 LEU HB3 H 1 1.303 0.020 . 2 . . . . 81 LEU HB3 . 19417 1 842 . 1 1 79 79 LEU HG H 1 2.187 0.020 . 1 . . . . 81 LEU HG . 19417 1 843 . 1 1 79 79 LEU HD11 H 1 0.936 0.020 . 1 . . . . 81 LEU HD1 . 19417 1 844 . 1 1 79 79 LEU HD12 H 1 0.936 0.020 . 1 . . . . 81 LEU HD1 . 19417 1 845 . 1 1 79 79 LEU HD13 H 1 0.936 0.020 . 1 . . . . 81 LEU HD1 . 19417 1 846 . 1 1 79 79 LEU HD21 H 1 0.999 0.020 . 1 . . . . 81 LEU HD2 . 19417 1 847 . 1 1 79 79 LEU HD22 H 1 0.999 0.020 . 1 . . . . 81 LEU HD2 . 19417 1 848 . 1 1 79 79 LEU HD23 H 1 0.999 0.020 . 1 . . . . 81 LEU HD2 . 19417 1 849 . 1 1 79 79 LEU CA C 13 57.616 0.200 . 1 . . . . 81 LEU CA . 19417 1 850 . 1 1 79 79 LEU CB C 13 41.019 0.200 . 1 . . . . 81 LEU CB . 19417 1 851 . 1 1 79 79 LEU CG C 13 27.078 0.200 . 1 . . . . 81 LEU CG . 19417 1 852 . 1 1 79 79 LEU CD1 C 13 25.491 0.200 . 1 . . . . 81 LEU CD1 . 19417 1 853 . 1 1 79 79 LEU CD2 C 13 22.819 0.200 . 1 . . . . 81 LEU CD2 . 19417 1 854 . 1 1 79 79 LEU N N 15 122.718 0.200 . 1 . . . . 81 LEU N . 19417 1 855 . 1 1 80 80 GLU H H 1 8.482 0.020 . 1 . . . . 82 GLU H . 19417 1 856 . 1 1 80 80 GLU HA H 1 4.383 0.020 . 1 . . . . 82 GLU HA . 19417 1 857 . 1 1 80 80 GLU HB2 H 1 1.902 0.020 . 2 . . . . 82 GLU HB2 . 19417 1 858 . 1 1 80 80 GLU HB3 H 1 1.684 0.020 . 2 . . . . 82 GLU HB3 . 19417 1 859 . 1 1 80 80 GLU HG2 H 1 1.690 0.020 . 2 . . . . 82 GLU HG2 . 19417 1 860 . 1 1 80 80 GLU HG3 H 1 1.849 0.020 . 2 . . . . 82 GLU HG3 . 19417 1 861 . 1 1 80 80 GLU CA C 13 58.454 0.200 . 1 . . . . 82 GLU CA . 19417 1 862 . 1 1 80 80 GLU CB C 13 29.664 0.200 . 1 . . . . 82 GLU CB . 19417 1 863 . 1 1 80 80 GLU CG C 13 37.297 0.200 . 1 . . . . 82 GLU CG . 19417 1 864 . 1 1 80 80 GLU N N 15 119.138 0.200 . 1 . . . . 82 GLU N . 19417 1 865 . 1 1 81 81 SER H H 1 8.033 0.020 . 1 . . . . 83 SER H . 19417 1 866 . 1 1 81 81 SER HA H 1 4.276 0.020 . 1 . . . . 83 SER HA . 19417 1 867 . 1 1 81 81 SER HB2 H 1 4.047 0.020 . 2 . . . . 83 SER HB . 19417 1 868 . 1 1 81 81 SER HB3 H 1 4.047 0.020 . 2 . . . . 83 SER HB . 19417 1 869 . 1 1 81 81 SER CA C 13 61.008 0.200 . 1 . . . . 83 SER CA . 19417 1 870 . 1 1 81 81 SER CB C 13 62.656 0.200 . 1 . . . . 83 SER CB . 19417 1 871 . 1 1 81 81 SER N N 15 117.167 0.200 . 1 . . . . 83 SER N . 19417 1 872 . 1 1 82 82 MET H H 1 7.889 0.020 . 1 . . . . 84 MET H . 19417 1 873 . 1 1 82 82 MET HA H 1 4.216 0.020 . 1 . . . . 84 MET HA . 19417 1 874 . 1 1 82 82 MET HB2 H 1 2.469 0.020 . 2 . . . . 84 MET HB2 . 19417 1 875 . 1 1 82 82 MET HB3 H 1 2.177 0.020 . 2 . . . . 84 MET HB3 . 19417 1 876 . 1 1 82 82 MET HG2 H 1 2.478 0.020 . 2 . . . . 84 MET HG2 . 19417 1 877 . 1 1 82 82 MET HG3 H 1 2.959 0.020 . 2 . . . . 84 MET HG3 . 19417 1 878 . 1 1 82 82 MET HE1 H 1 2.161 0.020 . 1 . . . . 84 MET HE . 19417 1 879 . 1 1 82 82 MET HE2 H 1 2.161 0.020 . 1 . . . . 84 MET HE . 19417 1 880 . 1 1 82 82 MET HE3 H 1 2.161 0.020 . 1 . . . . 84 MET HE . 19417 1 881 . 1 1 82 82 MET CA C 13 56.920 0.200 . 1 . . . . 84 MET CA . 19417 1 882 . 1 1 82 82 MET CB C 13 34.530 0.200 . 1 . . . . 84 MET CB . 19417 1 883 . 1 1 82 82 MET CG C 13 32.484 0.200 . 1 . . . . 84 MET CG . 19417 1 884 . 1 1 82 82 MET CE C 13 17.155 0.200 . 1 . . . . 84 MET CE . 19417 1 885 . 1 1 82 82 MET N N 15 118.297 0.200 . 1 . . . . 84 MET N . 19417 1 886 . 1 1 83 83 GLY H H 1 7.978 0.020 . 1 . . . . 85 GLY H . 19417 1 887 . 1 1 83 83 GLY HA2 H 1 4.031 0.020 . 2 . . . . 85 GLY HA2 . 19417 1 888 . 1 1 83 83 GLY HA3 H 1 3.995 0.020 . 2 . . . . 85 GLY HA3 . 19417 1 889 . 1 1 83 83 GLY CA C 13 46.348 0.200 . 1 . . . . 85 GLY CA . 19417 1 890 . 1 1 83 83 GLY N N 15 109.309 0.200 . 1 . . . . 85 GLY N . 19417 1 891 . 1 1 84 84 VAL H H 1 7.094 0.020 . 1 . . . . 86 VAL H . 19417 1 892 . 1 1 84 84 VAL HA H 1 4.261 0.020 . 1 . . . . 86 VAL HA . 19417 1 893 . 1 1 84 84 VAL HB H 1 2.297 0.020 . 1 . . . . 86 VAL HB . 19417 1 894 . 1 1 84 84 VAL HG11 H 1 1.065 0.020 . 1 . . . . 86 VAL HG1 . 19417 1 895 . 1 1 84 84 VAL HG12 H 1 1.065 0.020 . 1 . . . . 86 VAL HG1 . 19417 1 896 . 1 1 84 84 VAL HG13 H 1 1.065 0.020 . 1 . . . . 86 VAL HG1 . 19417 1 897 . 1 1 84 84 VAL HG21 H 1 0.584 0.020 . 1 . . . . 86 VAL HG2 . 19417 1 898 . 1 1 84 84 VAL HG22 H 1 0.584 0.020 . 1 . . . . 86 VAL HG2 . 19417 1 899 . 1 1 84 84 VAL HG23 H 1 0.584 0.020 . 1 . . . . 86 VAL HG2 . 19417 1 900 . 1 1 84 84 VAL CA C 13 61.016 0.200 . 1 . . . . 86 VAL CA . 19417 1 901 . 1 1 84 84 VAL CB C 13 32.456 0.200 . 1 . . . . 86 VAL CB . 19417 1 902 . 1 1 84 84 VAL CG1 C 13 21.172 0.200 . 1 . . . . 86 VAL CG1 . 19417 1 903 . 1 1 84 84 VAL CG2 C 13 18.877 0.200 . 1 . . . . 86 VAL CG2 . 19417 1 904 . 1 1 84 84 VAL N N 15 111.616 0.200 . 1 . . . . 86 VAL N . 19417 1 905 . 1 1 86 86 HIS HA H 1 4.369 0.020 . 1 . . . . 88 HIS HA . 19417 1 906 . 1 1 86 86 HIS HB2 H 1 3.467 0.020 . 2 . . . . 88 HIS HB2 . 19417 1 907 . 1 1 86 86 HIS HB3 H 1 3.246 0.020 . 2 . . . . 88 HIS HB3 . 19417 1 908 . 1 1 86 86 HIS HD2 H 1 7.286 0.020 . 1 . . . . 88 HIS HD2 . 19417 1 909 . 1 1 86 86 HIS CA C 13 60.613 0.200 . 1 . . . . 88 HIS CA . 19417 1 910 . 1 1 86 86 HIS CB C 13 29.367 0.200 . 1 . . . . 88 HIS CB . 19417 1 911 . 1 1 86 86 HIS CD2 C 13 119.022 0.200 . 1 . . . . 88 HIS CD2 . 19417 1 912 . 1 1 89 89 HIS HA H 1 4.431 0.020 . 1 . . . . 91 HIS HA . 19417 1 913 . 1 1 89 89 HIS HB2 H 1 3.155 0.020 . 2 . . . . 91 HIS HB . 19417 1 914 . 1 1 89 89 HIS HB3 H 1 3.155 0.020 . 2 . . . . 91 HIS HB . 19417 1 915 . 1 1 89 89 HIS HD2 H 1 7.189 0.020 . 1 . . . . 91 HIS HD2 . 19417 1 916 . 1 1 89 89 HIS CA C 13 59.866 0.200 . 1 . . . . 91 HIS CA . 19417 1 917 . 1 1 89 89 HIS CB C 13 30.309 0.200 . 1 . . . . 91 HIS CB . 19417 1 918 . 1 1 89 89 HIS CD2 C 13 118.124 0.200 . 1 . . . . 91 HIS CD2 . 19417 1 919 . 1 1 90 90 ASN H H 1 8.332 0.020 . 1 . . . . 92 ASN H . 19417 1 920 . 1 1 90 90 ASN HA H 1 4.802 0.020 . 1 . . . . 92 ASN HA . 19417 1 921 . 1 1 90 90 ASN HB2 H 1 2.991 0.020 . 2 . . . . 92 ASN HB2 . 19417 1 922 . 1 1 90 90 ASN HB3 H 1 2.850 0.020 . 2 . . . . 92 ASN HB3 . 19417 1 923 . 1 1 90 90 ASN HD21 H 1 6.963 0.020 . 2 . . . . 92 ASN HD21 . 19417 1 924 . 1 1 90 90 ASN HD22 H 1 7.938 0.020 . 2 . . . . 92 ASN HD22 . 19417 1 925 . 1 1 90 90 ASN CA C 13 56.625 0.200 . 1 . . . . 92 ASN CA . 19417 1 926 . 1 1 90 90 ASN CB C 13 38.464 0.200 . 1 . . . . 92 ASN CB . 19417 1 927 . 1 1 90 90 ASN N N 15 116.709 0.200 . 1 . . . . 92 ASN N . 19417 1 928 . 1 1 90 90 ASN ND2 N 15 113.290 0.200 . 1 . . . . 92 ASN ND2 . 19417 1 929 . 1 1 91 91 ALA H H 1 7.960 0.020 . 1 . . . . 93 ALA H . 19417 1 930 . 1 1 91 91 ALA HA H 1 4.271 0.020 . 1 . . . . 93 ALA HA . 19417 1 931 . 1 1 91 91 ALA HB1 H 1 1.658 0.020 . 1 . . . . 93 ALA HB . 19417 1 932 . 1 1 91 91 ALA HB2 H 1 1.658 0.020 . 1 . . . . 93 ALA HB . 19417 1 933 . 1 1 91 91 ALA HB3 H 1 1.658 0.020 . 1 . . . . 93 ALA HB . 19417 1 934 . 1 1 91 91 ALA CA C 13 54.618 0.200 . 1 . . . . 93 ALA CA . 19417 1 935 . 1 1 91 91 ALA CB C 13 17.083 0.200 . 1 . . . . 93 ALA CB . 19417 1 936 . 1 1 91 91 ALA N N 15 121.944 0.200 . 1 . . . . 93 ALA N . 19417 1 937 . 1 1 92 92 VAL H H 1 7.903 0.020 . 1 . . . . 94 VAL H . 19417 1 938 . 1 1 92 92 VAL HA H 1 3.107 0.020 . 1 . . . . 94 VAL HA . 19417 1 939 . 1 1 92 92 VAL HB H 1 1.855 0.020 . 1 . . . . 94 VAL HB . 19417 1 940 . 1 1 92 92 VAL HG11 H 1 -0.533 0.020 . 1 . . . . 94 VAL HG1 . 19417 1 941 . 1 1 92 92 VAL HG12 H 1 -0.533 0.020 . 1 . . . . 94 VAL HG1 . 19417 1 942 . 1 1 92 92 VAL HG13 H 1 -0.533 0.020 . 1 . . . . 94 VAL HG1 . 19417 1 943 . 1 1 92 92 VAL HG21 H 1 0.834 0.020 . 1 . . . . 94 VAL HG2 . 19417 1 944 . 1 1 92 92 VAL HG22 H 1 0.834 0.020 . 1 . . . . 94 VAL HG2 . 19417 1 945 . 1 1 92 92 VAL HG23 H 1 0.834 0.020 . 1 . . . . 94 VAL HG2 . 19417 1 946 . 1 1 92 92 VAL CA C 13 66.822 0.200 . 1 . . . . 94 VAL CA . 19417 1 947 . 1 1 92 92 VAL CB C 13 31.193 0.200 . 1 . . . . 94 VAL CB . 19417 1 948 . 1 1 92 92 VAL CG1 C 13 20.160 0.200 . 1 . . . . 94 VAL CG1 . 19417 1 949 . 1 1 92 92 VAL CG2 C 13 22.460 0.200 . 1 . . . . 94 VAL CG2 . 19417 1 950 . 1 1 92 92 VAL N N 15 121.405 0.200 . 1 . . . . 94 VAL N . 19417 1 951 . 1 1 93 93 PHE HA H 1 3.909 0.020 . 1 . . . . 95 PHE HA . 19417 1 952 . 1 1 93 93 PHE HB2 H 1 3.186 0.020 . 2 . . . . 95 PHE HB2 . 19417 1 953 . 1 1 93 93 PHE HB3 H 1 2.552 0.020 . 2 . . . . 95 PHE HB3 . 19417 1 954 . 1 1 93 93 PHE HD1 H 1 7.521 0.020 . 3 . . . . 95 PHE HD . 19417 1 955 . 1 1 93 93 PHE HD2 H 1 7.521 0.020 . 3 . . . . 95 PHE HD . 19417 1 956 . 1 1 93 93 PHE CA C 13 62.847 0.200 . 1 . . . . 95 PHE CA . 19417 1 957 . 1 1 93 93 PHE CB C 13 39.390 0.200 . 1 . . . . 95 PHE CB . 19417 1 958 . 1 1 93 93 PHE CD1 C 13 132.717 0.200 . 3 . . . . 95 PHE CD1 . 19417 1 959 . 1 1 94 94 GLU H H 1 8.626 0.020 . 1 . . . . 96 GLU H . 19417 1 960 . 1 1 94 94 GLU HA H 1 3.748 0.020 . 1 . . . . 96 GLU HA . 19417 1 961 . 1 1 94 94 GLU HB2 H 1 2.188 0.020 . 2 . . . . 96 GLU HB2 . 19417 1 962 . 1 1 94 94 GLU HB3 H 1 2.090 0.020 . 2 . . . . 96 GLU HB3 . 19417 1 963 . 1 1 94 94 GLU HG2 H 1 2.298 0.020 . 2 . . . . 96 GLU HG2 . 19417 1 964 . 1 1 94 94 GLU HG3 H 1 2.573 0.020 . 2 . . . . 96 GLU HG3 . 19417 1 965 . 1 1 94 94 GLU CA C 13 59.760 0.200 . 1 . . . . 96 GLU CA . 19417 1 966 . 1 1 94 94 GLU CB C 13 29.447 0.200 . 1 . . . . 96 GLU CB . 19417 1 967 . 1 1 94 94 GLU CG C 13 36.766 0.200 . 1 . . . . 96 GLU CG . 19417 1 968 . 1 1 94 94 GLU N N 15 117.335 0.200 . 1 . . . . 96 GLU N . 19417 1 969 . 1 1 95 95 ALA H H 1 8.340 0.020 . 1 . . . . 97 ALA H . 19417 1 970 . 1 1 95 95 ALA HA H 1 3.792 0.020 . 1 . . . . 97 ALA HA . 19417 1 971 . 1 1 95 95 ALA HB1 H 1 0.880 0.020 . 1 . . . . 97 ALA HB . 19417 1 972 . 1 1 95 95 ALA HB2 H 1 0.880 0.020 . 1 . . . . 97 ALA HB . 19417 1 973 . 1 1 95 95 ALA HB3 H 1 0.880 0.020 . 1 . . . . 97 ALA HB . 19417 1 974 . 1 1 95 95 ALA CA C 13 54.198 0.200 . 1 . . . . 97 ALA CA . 19417 1 975 . 1 1 95 95 ALA CB C 13 17.973 0.200 . 1 . . . . 97 ALA CB . 19417 1 976 . 1 1 95 95 ALA N N 15 124.100 0.200 . 1 . . . . 97 ALA N . 19417 1 977 . 1 1 96 96 ILE H H 1 7.241 0.020 . 1 . . . . 98 ILE H . 19417 1 978 . 1 1 96 96 ILE HA H 1 3.872 0.020 . 1 . . . . 98 ILE HA . 19417 1 979 . 1 1 96 96 ILE HB H 1 1.067 0.020 . 1 . . . . 98 ILE HB . 19417 1 980 . 1 1 96 96 ILE HG12 H 1 1.133 0.020 . 2 . . . . 98 ILE HG12 . 19417 1 981 . 1 1 96 96 ILE HG13 H 1 0.585 0.020 . 2 . . . . 98 ILE HG13 . 19417 1 982 . 1 1 96 96 ILE HG21 H 1 -0.033 0.020 . 1 . . . . 98 ILE HG2 . 19417 1 983 . 1 1 96 96 ILE HG22 H 1 -0.033 0.020 . 1 . . . . 98 ILE HG2 . 19417 1 984 . 1 1 96 96 ILE HG23 H 1 -0.033 0.020 . 1 . . . . 98 ILE HG2 . 19417 1 985 . 1 1 96 96 ILE HD11 H 1 -0.191 0.020 . 1 . . . . 98 ILE HD1 . 19417 1 986 . 1 1 96 96 ILE HD12 H 1 -0.191 0.020 . 1 . . . . 98 ILE HD1 . 19417 1 987 . 1 1 96 96 ILE HD13 H 1 -0.191 0.020 . 1 . . . . 98 ILE HD1 . 19417 1 988 . 1 1 96 96 ILE CA C 13 63.238 0.200 . 1 . . . . 98 ILE CA . 19417 1 989 . 1 1 96 96 ILE CB C 13 39.290 0.200 . 1 . . . . 98 ILE CB . 19417 1 990 . 1 1 96 96 ILE CG1 C 13 27.491 0.200 . 1 . . . . 98 ILE CG1 . 19417 1 991 . 1 1 96 96 ILE CG2 C 13 15.606 0.200 . 1 . . . . 98 ILE CG2 . 19417 1 992 . 1 1 96 96 ILE CD1 C 13 13.451 0.200 . 1 . . . . 98 ILE CD1 . 19417 1 993 . 1 1 96 96 ILE N N 15 116.071 0.200 . 1 . . . . 98 ILE N . 19417 1 994 . 1 1 97 97 HIS H H 1 8.198 0.020 . 1 . . . . 99 HIS H . 19417 1 995 . 1 1 97 97 HIS HA H 1 4.032 0.020 . 1 . . . . 99 HIS HA . 19417 1 996 . 1 1 97 97 HIS HB2 H 1 2.392 0.020 . 2 . . . . 99 HIS HB2 . 19417 1 997 . 1 1 97 97 HIS HB3 H 1 2.890 0.020 . 2 . . . . 99 HIS HB3 . 19417 1 998 . 1 1 97 97 HIS HD2 H 1 7.330 0.020 . 1 . . . . 99 HIS HD2 . 19417 1 999 . 1 1 97 97 HIS CA C 13 59.125 0.200 . 1 . . . . 99 HIS CA . 19417 1 1000 . 1 1 97 97 HIS CB C 13 31.978 0.200 . 1 . . . . 99 HIS CB . 19417 1 1001 . 1 1 97 97 HIS CD2 C 13 119.108 0.200 . 1 . . . . 99 HIS CD2 . 19417 1 1002 . 1 1 97 97 HIS N N 15 116.289 0.200 . 1 . . . . 99 HIS N . 19417 1 1003 . 1 1 98 98 LYS H H 1 8.590 0.020 . 1 . . . . 100 LYS H . 19417 1 1004 . 1 1 98 98 LYS HA H 1 4.529 0.020 . 1 . . . . 100 LYS HA . 19417 1 1005 . 1 1 98 98 LYS HB2 H 1 2.040 0.020 . 2 . . . . 100 LYS HB2 . 19417 1 1006 . 1 1 98 98 LYS HB3 H 1 1.900 0.020 . 2 . . . . 100 LYS HB3 . 19417 1 1007 . 1 1 98 98 LYS HG2 H 1 1.579 0.020 . 2 . . . . 100 LYS HG2 . 19417 1 1008 . 1 1 98 98 LYS HG3 H 1 1.365 0.020 . 2 . . . . 100 LYS HG3 . 19417 1 1009 . 1 1 98 98 LYS CA C 13 56.417 0.200 . 1 . . . . 100 LYS CA . 19417 1 1010 . 1 1 98 98 LYS CB C 13 32.946 0.200 . 1 . . . . 100 LYS CB . 19417 1 1011 . 1 1 98 98 LYS CG C 13 24.813 0.200 . 1 . . . . 100 LYS CG . 19417 1 1012 . 1 1 98 98 LYS N N 15 116.783 0.200 . 1 . . . . 100 LYS N . 19417 1 1013 . 1 1 99 99 GLU H H 1 7.134 0.020 . 1 . . . . 101 GLU H . 19417 1 1014 . 1 1 99 99 GLU HA H 1 4.333 0.020 . 1 . . . . 101 GLU HA . 19417 1 1015 . 1 1 99 99 GLU HB2 H 1 2.214 0.020 . 2 . . . . 101 GLU HB2 . 19417 1 1016 . 1 1 99 99 GLU HB3 H 1 2.294 0.020 . 2 . . . . 101 GLU HB3 . 19417 1 1017 . 1 1 99 99 GLU HG2 H 1 2.136 0.020 . 2 . . . . 101 GLU HG2 . 19417 1 1018 . 1 1 99 99 GLU HG3 H 1 2.151 0.020 . 2 . . . . 101 GLU HG3 . 19417 1 1019 . 1 1 99 99 GLU CA C 13 55.380 0.200 . 1 . . . . 101 GLU CA . 19417 1 1020 . 1 1 99 99 GLU CB C 13 29.524 0.200 . 1 . . . . 101 GLU CB . 19417 1 1021 . 1 1 99 99 GLU CG C 13 36.004 0.200 . 1 . . . . 101 GLU CG . 19417 1 1022 . 1 1 99 99 GLU N N 15 114.698 0.200 . 1 . . . . 101 GLU N . 19417 1 1023 . 1 1 100 100 HIS H H 1 6.811 0.020 . 1 . . . . 102 HIS H . 19417 1 1024 . 1 1 100 100 HIS HA H 1 4.246 0.020 . 1 . . . . 102 HIS HA . 19417 1 1025 . 1 1 100 100 HIS HB2 H 1 3.316 0.020 . 2 . . . . 102 HIS HB2 . 19417 1 1026 . 1 1 100 100 HIS HB3 H 1 3.214 0.020 . 2 . . . . 102 HIS HB3 . 19417 1 1027 . 1 1 100 100 HIS HD2 H 1 6.880 0.020 . 1 . . . . 102 HIS HD2 . 19417 1 1028 . 1 1 100 100 HIS CA C 13 56.554 0.200 . 1 . . . . 102 HIS CA . 19417 1 1029 . 1 1 100 100 HIS CB C 13 26.435 0.200 . 1 . . . . 102 HIS CB . 19417 1 1030 . 1 1 100 100 HIS CD2 C 13 119.221 0.200 . 1 . . . . 102 HIS CD2 . 19417 1 1031 . 1 1 100 100 HIS N N 15 113.086 0.200 . 1 . . . . 102 HIS N . 19417 1 1032 . 1 1 101 101 LYS H H 1 8.335 0.020 . 1 . . . . 103 LYS H . 19417 1 1033 . 1 1 101 101 LYS HA H 1 4.276 0.020 . 1 . . . . 103 LYS HA . 19417 1 1034 . 1 1 101 101 LYS HB2 H 1 1.404 0.020 . 2 . . . . 103 LYS HB2 . 19417 1 1035 . 1 1 101 101 LYS HB3 H 1 1.038 0.020 . 2 . . . . 103 LYS HB3 . 19417 1 1036 . 1 1 101 101 LYS HG2 H 1 1.288 0.020 . 2 . . . . 103 LYS HG . 19417 1 1037 . 1 1 101 101 LYS HG3 H 1 1.288 0.020 . 2 . . . . 103 LYS HG . 19417 1 1038 . 1 1 101 101 LYS CA C 13 55.465 0.200 . 1 . . . . 103 LYS CA . 19417 1 1039 . 1 1 101 101 LYS CB C 13 32.681 0.200 . 1 . . . . 103 LYS CB . 19417 1 1040 . 1 1 101 101 LYS CG C 13 25.376 0.200 . 1 . . . . 103 LYS CG . 19417 1 1041 . 1 1 101 101 LYS N N 15 120.106 0.200 . 1 . . . . 103 LYS N . 19417 1 1042 . 1 1 102 102 LYS H H 1 8.639 0.020 . 1 . . . . 104 LYS H . 19417 1 1043 . 1 1 102 102 LYS HA H 1 4.116 0.020 . 1 . . . . 104 LYS HA . 19417 1 1044 . 1 1 102 102 LYS HB2 H 1 2.038 0.020 . 2 . . . . 104 LYS HB2 . 19417 1 1045 . 1 1 102 102 LYS HB3 H 1 1.798 0.020 . 2 . . . . 104 LYS HB3 . 19417 1 1046 . 1 1 102 102 LYS HG2 H 1 1.490 0.020 . 2 . . . . 104 LYS HG2 . 19417 1 1047 . 1 1 102 102 LYS HG3 H 1 1.688 0.020 . 2 . . . . 104 LYS HG3 . 19417 1 1048 . 1 1 102 102 LYS CA C 13 57.198 0.200 . 1 . . . . 104 LYS CA . 19417 1 1049 . 1 1 102 102 LYS CB C 13 32.855 0.200 . 1 . . . . 104 LYS CB . 19417 1 1050 . 1 1 102 102 LYS CG C 13 25.106 0.200 . 1 . . . . 104 LYS CG . 19417 1 1051 . 1 1 102 102 LYS N N 15 121.080 0.200 . 1 . . . . 104 LYS N . 19417 1 1052 . 1 1 103 103 LEU H H 1 8.659 0.020 . 1 . . . . 105 LEU H . 19417 1 1053 . 1 1 103 103 LEU HA H 1 3.236 0.020 . 1 . . . . 105 LEU HA . 19417 1 1054 . 1 1 103 103 LEU HB2 H 1 1.691 0.020 . 2 . . . . 105 LEU HB2 . 19417 1 1055 . 1 1 103 103 LEU HB3 H 1 1.033 0.020 . 2 . . . . 105 LEU HB3 . 19417 1 1056 . 1 1 103 103 LEU HG H 1 0.940 0.020 . 1 . . . . 105 LEU HG . 19417 1 1057 . 1 1 103 103 LEU HD11 H 1 0.183 0.020 . 1 . . . . 105 LEU HD1 . 19417 1 1058 . 1 1 103 103 LEU HD12 H 1 0.183 0.020 . 1 . . . . 105 LEU HD1 . 19417 1 1059 . 1 1 103 103 LEU HD13 H 1 0.183 0.020 . 1 . . . . 105 LEU HD1 . 19417 1 1060 . 1 1 103 103 LEU HD21 H 1 0.342 0.020 . 1 . . . . 105 LEU HD2 . 19417 1 1061 . 1 1 103 103 LEU HD22 H 1 0.342 0.020 . 1 . . . . 105 LEU HD2 . 19417 1 1062 . 1 1 103 103 LEU HD23 H 1 0.342 0.020 . 1 . . . . 105 LEU HD2 . 19417 1 1063 . 1 1 103 103 LEU CA C 13 53.892 0.200 . 1 . . . . 105 LEU CA . 19417 1 1064 . 1 1 103 103 LEU CB C 13 39.055 0.200 . 1 . . . . 105 LEU CB . 19417 1 1065 . 1 1 103 103 LEU CG C 13 25.943 0.200 . 1 . . . . 105 LEU CG . 19417 1 1066 . 1 1 103 103 LEU CD1 C 13 26.284 0.200 . 1 . . . . 105 LEU CD1 . 19417 1 1067 . 1 1 103 103 LEU CD2 C 13 22.597 0.200 . 1 . . . . 105 LEU CD2 . 19417 1 1068 . 1 1 103 103 LEU N N 15 115.830 0.200 . 1 . . . . 105 LEU N . 19417 1 1069 . 1 1 104 104 ALA H H 1 7.695 0.020 . 1 . . . . 106 ALA H . 19417 1 1070 . 1 1 104 104 ALA HA H 1 4.303 0.020 . 1 . . . . 106 ALA HA . 19417 1 1071 . 1 1 104 104 ALA HB1 H 1 1.420 0.020 . 1 . . . . 106 ALA HB . 19417 1 1072 . 1 1 104 104 ALA HB2 H 1 1.420 0.020 . 1 . . . . 106 ALA HB . 19417 1 1073 . 1 1 104 104 ALA HB3 H 1 1.420 0.020 . 1 . . . . 106 ALA HB . 19417 1 1074 . 1 1 104 104 ALA CA C 13 52.587 0.200 . 1 . . . . 106 ALA CA . 19417 1 1075 . 1 1 104 104 ALA CB C 13 21.235 0.200 . 1 . . . . 106 ALA CB . 19417 1 1076 . 1 1 104 104 ALA N N 15 115.480 0.200 . 1 . . . . 106 ALA N . 19417 1 1077 . 1 1 105 105 THR H H 1 7.349 0.020 . 1 . . . . 107 THR H . 19417 1 1078 . 1 1 105 105 THR HA H 1 4.979 0.020 . 1 . . . . 107 THR HA . 19417 1 1079 . 1 1 105 105 THR HB H 1 4.641 0.020 . 1 . . . . 107 THR HB . 19417 1 1080 . 1 1 105 105 THR HG21 H 1 1.278 0.020 . 1 . . . . 107 THR HG2 . 19417 1 1081 . 1 1 105 105 THR HG22 H 1 1.278 0.020 . 1 . . . . 107 THR HG2 . 19417 1 1082 . 1 1 105 105 THR HG23 H 1 1.278 0.020 . 1 . . . . 107 THR HG2 . 19417 1 1083 . 1 1 105 105 THR CA C 13 56.734 0.200 . 1 . . . . 107 THR CA . 19417 1 1084 . 1 1 105 105 THR CB C 13 70.392 0.200 . 1 . . . . 107 THR CB . 19417 1 1085 . 1 1 105 105 THR CG2 C 13 21.625 0.200 . 1 . . . . 107 THR CG2 . 19417 1 1086 . 1 1 105 105 THR N N 15 106.165 0.200 . 1 . . . . 107 THR N . 19417 1 1087 . 1 1 106 106 PRO HA H 1 4.573 0.020 . 1 . . . . 108 PRO HA . 19417 1 1088 . 1 1 106 106 PRO HB2 H 1 1.607 0.020 . 2 . . . . 108 PRO HB2 . 19417 1 1089 . 1 1 106 106 PRO HB3 H 1 1.167 0.020 . 2 . . . . 108 PRO HB3 . 19417 1 1090 . 1 1 106 106 PRO HG2 H 1 1.898 0.020 . 2 . . . . 108 PRO HG2 . 19417 1 1091 . 1 1 106 106 PRO HG3 H 1 2.168 0.020 . 2 . . . . 108 PRO HG3 . 19417 1 1092 . 1 1 106 106 PRO HD2 H 1 3.629 0.020 . 2 . . . . 108 PRO HD2 . 19417 1 1093 . 1 1 106 106 PRO HD3 H 1 4.009 0.020 . 2 . . . . 108 PRO HD3 . 19417 1 1094 . 1 1 106 106 PRO CA C 13 64.129 0.200 . 1 . . . . 108 PRO CA . 19417 1 1095 . 1 1 106 106 PRO CB C 13 29.788 0.200 . 1 . . . . 108 PRO CB . 19417 1 1096 . 1 1 106 106 PRO CG C 13 27.806 0.200 . 1 . . . . 108 PRO CG . 19417 1 1097 . 1 1 106 106 PRO CD C 13 50.074 0.200 . 1 . . . . 108 PRO CD . 19417 1 1098 . 1 1 107 107 GLU H H 1 8.755 0.020 . 1 . . . . 109 GLU H . 19417 1 1099 . 1 1 107 107 GLU HA H 1 3.894 0.020 . 1 . . . . 109 GLU HA . 19417 1 1100 . 1 1 107 107 GLU HB2 H 1 2.057 0.020 . 2 . . . . 109 GLU HB2 . 19417 1 1101 . 1 1 107 107 GLU HB3 H 1 1.936 0.020 . 2 . . . . 109 GLU HB3 . 19417 1 1102 . 1 1 107 107 GLU HG2 H 1 2.167 0.020 . 2 . . . . 109 GLU HG2 . 19417 1 1103 . 1 1 107 107 GLU HG3 H 1 2.485 0.020 . 2 . . . . 109 GLU HG3 . 19417 1 1104 . 1 1 107 107 GLU CA C 13 60.894 0.200 . 1 . . . . 109 GLU CA . 19417 1 1105 . 1 1 107 107 GLU CB C 13 28.205 0.200 . 1 . . . . 109 GLU CB . 19417 1 1106 . 1 1 107 107 GLU CG C 13 36.880 0.200 . 1 . . . . 109 GLU CG . 19417 1 1107 . 1 1 107 107 GLU N N 15 117.980 0.200 . 1 . . . . 109 GLU N . 19417 1 1108 . 1 1 108 108 GLU H H 1 7.561 0.020 . 1 . . . . 110 GLU H . 19417 1 1109 . 1 1 108 108 GLU HA H 1 4.106 0.020 . 1 . . . . 110 GLU HA . 19417 1 1110 . 1 1 108 108 GLU HB2 H 1 2.163 0.020 . 2 . . . . 110 GLU HB2 . 19417 1 1111 . 1 1 108 108 GLU HB3 H 1 2.060 0.020 . 2 . . . . 110 GLU HB3 . 19417 1 1112 . 1 1 108 108 GLU HG2 H 1 2.165 0.020 . 2 . . . . 110 GLU HG2 . 19417 1 1113 . 1 1 108 108 GLU HG3 H 1 2.526 0.020 . 2 . . . . 110 GLU HG3 . 19417 1 1114 . 1 1 108 108 GLU CA C 13 58.953 0.200 . 1 . . . . 110 GLU CA . 19417 1 1115 . 1 1 108 108 GLU CB C 13 30.061 0.200 . 1 . . . . 110 GLU CB . 19417 1 1116 . 1 1 108 108 GLU CG C 13 36.181 0.200 . 1 . . . . 110 GLU CG . 19417 1 1117 . 1 1 108 108 GLU N N 15 120.667 0.200 . 1 . . . . 110 GLU N . 19417 1 1118 . 1 1 109 109 MET H H 1 8.347 0.020 . 1 . . . . 111 MET H . 19417 1 1119 . 1 1 109 109 MET HA H 1 3.651 0.020 . 1 . . . . 111 MET HA . 19417 1 1120 . 1 1 109 109 MET HB2 H 1 2.093 0.020 . 2 . . . . 111 MET HB2 . 19417 1 1121 . 1 1 109 109 MET HB3 H 1 1.686 0.020 . 2 . . . . 111 MET HB3 . 19417 1 1122 . 1 1 109 109 MET HG2 H 1 2.442 0.020 . 2 . . . . 111 MET HG2 . 19417 1 1123 . 1 1 109 109 MET HG3 H 1 2.567 0.020 . 2 . . . . 111 MET HG3 . 19417 1 1124 . 1 1 109 109 MET HE1 H 1 2.086 0.020 . 1 . . . . 111 MET HE . 19417 1 1125 . 1 1 109 109 MET HE2 H 1 2.086 0.020 . 1 . . . . 111 MET HE . 19417 1 1126 . 1 1 109 109 MET HE3 H 1 2.086 0.020 . 1 . . . . 111 MET HE . 19417 1 1127 . 1 1 109 109 MET CA C 13 59.318 0.200 . 1 . . . . 111 MET CA . 19417 1 1128 . 1 1 109 109 MET CB C 13 32.664 0.200 . 1 . . . . 111 MET CB . 19417 1 1129 . 1 1 109 109 MET CG C 13 32.726 0.200 . 1 . . . . 111 MET CG . 19417 1 1130 . 1 1 109 109 MET CE C 13 19.436 0.200 . 1 . . . . 111 MET CE . 19417 1 1131 . 1 1 109 109 MET N N 15 118.574 0.200 . 1 . . . . 111 MET N . 19417 1 1132 . 1 1 110 110 ALA H H 1 8.742 0.020 . 1 . . . . 112 ALA H . 19417 1 1133 . 1 1 110 110 ALA HA H 1 3.447 0.020 . 1 . . . . 112 ALA HA . 19417 1 1134 . 1 1 110 110 ALA HB1 H 1 1.534 0.020 . 1 . . . . 112 ALA HB . 19417 1 1135 . 1 1 110 110 ALA HB2 H 1 1.534 0.020 . 1 . . . . 112 ALA HB . 19417 1 1136 . 1 1 110 110 ALA HB3 H 1 1.534 0.020 . 1 . . . . 112 ALA HB . 19417 1 1137 . 1 1 110 110 ALA CA C 13 54.484 0.200 . 1 . . . . 112 ALA CA . 19417 1 1138 . 1 1 110 110 ALA CB C 13 18.163 0.200 . 1 . . . . 112 ALA CB . 19417 1 1139 . 1 1 110 110 ALA N N 15 120.741 0.200 . 1 . . . . 112 ALA N . 19417 1 1140 . 1 1 111 111 ASP H H 1 7.735 0.020 . 1 . . . . 113 ASP H . 19417 1 1141 . 1 1 111 111 ASP HA H 1 4.349 0.020 . 1 . . . . 113 ASP HA . 19417 1 1142 . 1 1 111 111 ASP HB2 H 1 2.639 0.020 . 2 . . . . 113 ASP HB2 . 19417 1 1143 . 1 1 111 111 ASP HB3 H 1 2.667 0.020 . 2 . . . . 113 ASP HB3 . 19417 1 1144 . 1 1 111 111 ASP CA C 13 56.931 0.200 . 1 . . . . 113 ASP CA . 19417 1 1145 . 1 1 111 111 ASP CB C 13 40.376 0.200 . 1 . . . . 113 ASP CB . 19417 1 1146 . 1 1 111 111 ASP N N 15 117.480 0.200 . 1 . . . . 113 ASP N . 19417 1 1147 . 1 1 112 112 PHE H H 1 7.624 0.020 . 1 . . . . 114 PHE H . 19417 1 1148 . 1 1 112 112 PHE HA H 1 4.231 0.020 . 1 . . . . 114 PHE HA . 19417 1 1149 . 1 1 112 112 PHE HB2 H 1 3.236 0.020 . 2 . . . . 114 PHE HB2 . 19417 1 1150 . 1 1 112 112 PHE HB3 H 1 2.886 0.020 . 2 . . . . 114 PHE HB3 . 19417 1 1151 . 1 1 112 112 PHE HD1 H 1 6.995 0.020 . 3 . . . . 114 PHE HD . 19417 1 1152 . 1 1 112 112 PHE HD2 H 1 6.995 0.020 . 3 . . . . 114 PHE HD . 19417 1 1153 . 1 1 112 112 PHE CA C 13 60.195 0.200 . 1 . . . . 114 PHE CA . 19417 1 1154 . 1 1 112 112 PHE CB C 13 39.032 0.200 . 1 . . . . 114 PHE CB . 19417 1 1155 . 1 1 112 112 PHE CD1 C 13 131.540 0.200 . 3 . . . . 114 PHE CD1 . 19417 1 1156 . 1 1 112 112 PHE N N 15 120.364 0.200 . 1 . . . . 114 PHE N . 19417 1 1157 . 1 1 113 113 LEU H H 1 8.820 0.020 . 1 . . . . 115 LEU H . 19417 1 1158 . 1 1 113 113 LEU HA H 1 3.257 0.020 . 1 . . . . 115 LEU HA . 19417 1 1159 . 1 1 113 113 LEU HB2 H 1 1.379 0.020 . 2 . . . . 115 LEU HB2 . 19417 1 1160 . 1 1 113 113 LEU HB3 H 1 0.797 0.020 . 2 . . . . 115 LEU HB3 . 19417 1 1161 . 1 1 113 113 LEU HG H 1 1.649 0.020 . 1 . . . . 115 LEU HG . 19417 1 1162 . 1 1 113 113 LEU HD11 H 1 0.014 0.020 . 1 . . . . 115 LEU HD1 . 19417 1 1163 . 1 1 113 113 LEU HD12 H 1 0.014 0.020 . 1 . . . . 115 LEU HD1 . 19417 1 1164 . 1 1 113 113 LEU HD13 H 1 0.014 0.020 . 1 . . . . 115 LEU HD1 . 19417 1 1165 . 1 1 113 113 LEU HD21 H 1 0.552 0.020 . 1 . . . . 115 LEU HD2 . 19417 1 1166 . 1 1 113 113 LEU HD22 H 1 0.552 0.020 . 1 . . . . 115 LEU HD2 . 19417 1 1167 . 1 1 113 113 LEU HD23 H 1 0.552 0.020 . 1 . . . . 115 LEU HD2 . 19417 1 1168 . 1 1 113 113 LEU CA C 13 56.406 0.200 . 1 . . . . 115 LEU CA . 19417 1 1169 . 1 1 113 113 LEU CB C 13 40.103 0.200 . 1 . . . . 115 LEU CB . 19417 1 1170 . 1 1 113 113 LEU CG C 13 26.610 0.200 . 1 . . . . 115 LEU CG . 19417 1 1171 . 1 1 113 113 LEU CD1 C 13 26.534 0.200 . 1 . . . . 115 LEU CD1 . 19417 1 1172 . 1 1 113 113 LEU CD2 C 13 22.111 0.200 . 1 . . . . 115 LEU CD2 . 19417 1 1173 . 1 1 113 113 LEU N N 15 120.257 0.200 . 1 . . . . 115 LEU N . 19417 1 1174 . 1 1 114 114 ALA H H 1 8.094 0.020 . 1 . . . . 116 ALA H . 19417 1 1175 . 1 1 114 114 ALA HA H 1 4.727 0.020 . 1 . . . . 116 ALA HA . 19417 1 1176 . 1 1 114 114 ALA HB1 H 1 1.490 0.020 . 1 . . . . 116 ALA HB . 19417 1 1177 . 1 1 114 114 ALA HB2 H 1 1.490 0.020 . 1 . . . . 116 ALA HB . 19417 1 1178 . 1 1 114 114 ALA HB3 H 1 1.490 0.020 . 1 . . . . 116 ALA HB . 19417 1 1179 . 1 1 114 114 ALA CA C 13 53.895 0.200 . 1 . . . . 116 ALA CA . 19417 1 1180 . 1 1 114 114 ALA CB C 13 17.607 0.200 . 1 . . . . 116 ALA CB . 19417 1 1181 . 1 1 114 114 ALA N N 15 124.533 0.200 . 1 . . . . 116 ALA N . 19417 1 1182 . 1 1 115 115 GLY H H 1 7.305 0.020 . 1 . . . . 117 GLY H . 19417 1 1183 . 1 1 115 115 GLY HA2 H 1 4.069 0.020 . 2 . . . . 117 GLY HA2 . 19417 1 1184 . 1 1 115 115 GLY HA3 H 1 3.849 0.020 . 2 . . . . 117 GLY HA3 . 19417 1 1185 . 1 1 115 115 GLY CA C 13 45.541 0.200 . 1 . . . . 117 GLY CA . 19417 1 1186 . 1 1 115 115 GLY N N 15 105.119 0.200 . 1 . . . . 117 GLY N . 19417 1 1187 . 1 1 116 116 LYS H H 1 7.342 0.020 . 1 . . . . 118 LYS H . 19417 1 1188 . 1 1 116 116 LYS HA H 1 4.492 0.020 . 1 . . . . 118 LYS HA . 19417 1 1189 . 1 1 116 116 LYS HB2 H 1 2.022 0.020 . 2 . . . . 118 LYS HB2 . 19417 1 1190 . 1 1 116 116 LYS HB3 H 1 1.528 0.020 . 2 . . . . 118 LYS HB3 . 19417 1 1191 . 1 1 116 116 LYS HG2 H 1 0.885 0.020 . 2 . . . . 118 LYS HG2 . 19417 1 1192 . 1 1 116 116 LYS HG3 H 1 0.820 0.020 . 2 . . . . 118 LYS HG3 . 19417 1 1193 . 1 1 116 116 LYS CA C 13 52.220 0.200 . 1 . . . . 118 LYS CA . 19417 1 1194 . 1 1 116 116 LYS CB C 13 30.689 0.200 . 1 . . . . 118 LYS CB . 19417 1 1195 . 1 1 116 116 LYS CG C 13 23.185 0.200 . 1 . . . . 118 LYS CG . 19417 1 1196 . 1 1 116 116 LYS N N 15 117.995 0.200 . 1 . . . . 118 LYS N . 19417 1 1197 . 1 1 117 117 GLY H H 1 7.506 0.020 . 1 . . . . 119 GLY H . 19417 1 1198 . 1 1 117 117 GLY HA2 H 1 4.137 0.020 . 2 . . . . 119 GLY HA2 . 19417 1 1199 . 1 1 117 117 GLY HA3 H 1 3.660 0.020 . 2 . . . . 119 GLY HA3 . 19417 1 1200 . 1 1 117 117 GLY CA C 13 45.256 0.200 . 1 . . . . 119 GLY CA . 19417 1 1201 . 1 1 117 117 GLY N N 15 106.466 0.200 . 1 . . . . 119 GLY N . 19417 1 1202 . 1 1 118 118 VAL H H 1 7.330 0.020 . 1 . . . . 120 VAL H . 19417 1 1203 . 1 1 118 118 VAL HA H 1 3.864 0.020 . 1 . . . . 120 VAL HA . 19417 1 1204 . 1 1 118 118 VAL HB H 1 1.487 0.020 . 1 . . . . 120 VAL HB . 19417 1 1205 . 1 1 118 118 VAL HG11 H 1 0.762 0.020 . 1 . . . . 120 VAL HG1 . 19417 1 1206 . 1 1 118 118 VAL HG12 H 1 0.762 0.020 . 1 . . . . 120 VAL HG1 . 19417 1 1207 . 1 1 118 118 VAL HG13 H 1 0.762 0.020 . 1 . . . . 120 VAL HG1 . 19417 1 1208 . 1 1 118 118 VAL HG21 H 1 0.714 0.020 . 1 . . . . 120 VAL HG2 . 19417 1 1209 . 1 1 118 118 VAL HG22 H 1 0.714 0.020 . 1 . . . . 120 VAL HG2 . 19417 1 1210 . 1 1 118 118 VAL HG23 H 1 0.714 0.020 . 1 . . . . 120 VAL HG2 . 19417 1 1211 . 1 1 118 118 VAL CA C 13 61.170 0.200 . 1 . . . . 120 VAL CA . 19417 1 1212 . 1 1 118 118 VAL CB C 13 31.805 0.200 . 1 . . . . 120 VAL CB . 19417 1 1213 . 1 1 118 118 VAL CG1 C 13 20.994 0.200 . 1 . . . . 120 VAL CG1 . 19417 1 1214 . 1 1 118 118 VAL CG2 C 13 21.671 0.200 . 1 . . . . 120 VAL CG2 . 19417 1 1215 . 1 1 118 118 VAL N N 15 122.357 0.200 . 1 . . . . 120 VAL N . 19417 1 1216 . 1 1 119 119 ASP H H 1 8.473 0.020 . 1 . . . . 121 ASP H . 19417 1 1217 . 1 1 119 119 ASP HA H 1 4.375 0.020 . 1 . . . . 121 ASP HA . 19417 1 1218 . 1 1 119 119 ASP HB2 H 1 2.710 0.020 . 2 . . . . 121 ASP HB2 . 19417 1 1219 . 1 1 119 119 ASP HB3 H 1 2.645 0.020 . 2 . . . . 121 ASP HB3 . 19417 1 1220 . 1 1 119 119 ASP CA C 13 54.541 0.200 . 1 . . . . 121 ASP CA . 19417 1 1221 . 1 1 119 119 ASP CB C 13 42.173 0.200 . 1 . . . . 121 ASP CB . 19417 1 1222 . 1 1 119 119 ASP N N 15 128.849 0.200 . 1 . . . . 121 ASP N . 19417 1 1223 . 1 1 120 120 LYS H H 1 8.548 0.020 . 1 . . . . 122 LYS H . 19417 1 1224 . 1 1 120 120 LYS HA H 1 4.131 0.020 . 1 . . . . 122 LYS HA . 19417 1 1225 . 1 1 120 120 LYS HB2 H 1 1.824 0.020 . 2 . . . . 122 LYS HB . 19417 1 1226 . 1 1 120 120 LYS HB3 H 1 1.824 0.020 . 2 . . . . 122 LYS HB . 19417 1 1227 . 1 1 120 120 LYS HG2 H 1 1.523 0.020 . 2 . . . . 122 LYS HG2 . 19417 1 1228 . 1 1 120 120 LYS HG3 H 1 1.408 0.020 . 2 . . . . 122 LYS HG3 . 19417 1 1229 . 1 1 120 120 LYS CA C 13 59.714 0.200 . 1 . . . . 122 LYS CA . 19417 1 1230 . 1 1 120 120 LYS CB C 13 33.100 0.200 . 1 . . . . 122 LYS CB . 19417 1 1231 . 1 1 120 120 LYS CG C 13 24.809 0.200 . 1 . . . . 122 LYS CG . 19417 1 1232 . 1 1 120 120 LYS N N 15 130.090 0.200 . 1 . . . . 122 LYS N . 19417 1 1233 . 1 1 121 121 GLU H H 1 8.075 0.020 . 1 . . . . 123 GLU H . 19417 1 1234 . 1 1 121 121 GLU HA H 1 4.123 0.020 . 1 . . . . 123 GLU HA . 19417 1 1235 . 1 1 121 121 GLU HB2 H 1 2.109 0.020 . 2 . . . . 123 GLU HB2 . 19417 1 1236 . 1 1 121 121 GLU HB3 H 1 2.145 0.020 . 2 . . . . 123 GLU HB3 . 19417 1 1237 . 1 1 121 121 GLU HG2 H 1 2.360 0.020 . 2 . . . . 123 GLU HG2 . 19417 1 1238 . 1 1 121 121 GLU HG3 H 1 2.288 0.020 . 2 . . . . 123 GLU HG3 . 19417 1 1239 . 1 1 121 121 GLU CA C 13 59.348 0.200 . 1 . . . . 123 GLU CA . 19417 1 1240 . 1 1 121 121 GLU CB C 13 28.863 0.200 . 1 . . . . 123 GLU CB . 19417 1 1241 . 1 1 121 121 GLU CG C 13 36.477 0.200 . 1 . . . . 123 GLU CG . 19417 1 1242 . 1 1 121 121 GLU N N 15 118.684 0.200 . 1 . . . . 123 GLU N . 19417 1 1243 . 1 1 122 122 LYS H H 1 8.508 0.020 . 1 . . . . 124 LYS H . 19417 1 1244 . 1 1 122 122 LYS HA H 1 4.149 0.020 . 1 . . . . 124 LYS HA . 19417 1 1245 . 1 1 122 122 LYS HB2 H 1 1.870 0.020 . 2 . . . . 124 LYS HB . 19417 1 1246 . 1 1 122 122 LYS HB3 H 1 1.870 0.020 . 2 . . . . 124 LYS HB . 19417 1 1247 . 1 1 122 122 LYS HG2 H 1 1.513 0.020 . 2 . . . . 124 LYS HG . 19417 1 1248 . 1 1 122 122 LYS HG3 H 1 1.513 0.020 . 2 . . . . 124 LYS HG . 19417 1 1249 . 1 1 122 122 LYS CA C 13 58.349 0.200 . 1 . . . . 124 LYS CA . 19417 1 1250 . 1 1 122 122 LYS CB C 13 32.126 0.200 . 1 . . . . 124 LYS CB . 19417 1 1251 . 1 1 122 122 LYS CG C 13 25.107 0.200 . 1 . . . . 124 LYS CG . 19417 1 1252 . 1 1 122 122 LYS N N 15 122.210 0.200 . 1 . . . . 124 LYS N . 19417 1 1253 . 1 1 123 123 PHE H H 1 8.851 0.020 . 1 . . . . 125 PHE H . 19417 1 1254 . 1 1 123 123 PHE HA H 1 4.326 0.020 . 1 . . . . 125 PHE HA . 19417 1 1255 . 1 1 123 123 PHE HB2 H 1 3.214 0.020 . 2 . . . . 125 PHE HB2 . 19417 1 1256 . 1 1 123 123 PHE HB3 H 1 2.878 0.020 . 2 . . . . 125 PHE HB3 . 19417 1 1257 . 1 1 123 123 PHE HD1 H 1 6.994 0.020 . 3 . . . . 125 PHE HD . 19417 1 1258 . 1 1 123 123 PHE HD2 H 1 6.994 0.020 . 3 . . . . 125 PHE HD . 19417 1 1259 . 1 1 123 123 PHE HE1 H 1 7.061 0.020 . 3 . . . . 125 PHE HE . 19417 1 1260 . 1 1 123 123 PHE HE2 H 1 7.061 0.020 . 3 . . . . 125 PHE HE . 19417 1 1261 . 1 1 123 123 PHE CA C 13 62.094 0.200 . 1 . . . . 125 PHE CA . 19417 1 1262 . 1 1 123 123 PHE CB C 13 38.690 0.200 . 1 . . . . 125 PHE CB . 19417 1 1263 . 1 1 123 123 PHE CD1 C 13 131.799 0.200 . 3 . . . . 125 PHE CD1 . 19417 1 1264 . 1 1 123 123 PHE CE1 C 13 130.466 0.200 . 3 . . . . 125 PHE CE1 . 19417 1 1265 . 1 1 123 123 PHE CZ C 13 131.962 0.200 . 1 . . . . 125 PHE CZ . 19417 1 1266 . 1 1 123 123 PHE N N 15 123.651 0.200 . 1 . . . . 125 PHE N . 19417 1 1267 . 1 1 124 124 LEU H H 1 8.496 0.020 . 1 . . . . 126 LEU H . 19417 1 1268 . 1 1 124 124 LEU HA H 1 3.770 0.020 . 1 . . . . 126 LEU HA . 19417 1 1269 . 1 1 124 124 LEU HB2 H 1 1.936 0.020 . 2 . . . . 126 LEU HB2 . 19417 1 1270 . 1 1 124 124 LEU HB3 H 1 1.456 0.020 . 2 . . . . 126 LEU HB3 . 19417 1 1271 . 1 1 124 124 LEU HG H 1 1.897 0.020 . 1 . . . . 126 LEU HG . 19417 1 1272 . 1 1 124 124 LEU HD11 H 1 0.871 0.020 . 1 . . . . 126 LEU HD1 . 19417 1 1273 . 1 1 124 124 LEU HD12 H 1 0.871 0.020 . 1 . . . . 126 LEU HD1 . 19417 1 1274 . 1 1 124 124 LEU HD13 H 1 0.871 0.020 . 1 . . . . 126 LEU HD1 . 19417 1 1275 . 1 1 124 124 LEU HD21 H 1 0.773 0.020 . 1 . . . . 126 LEU HD2 . 19417 1 1276 . 1 1 124 124 LEU HD22 H 1 0.773 0.020 . 1 . . . . 126 LEU HD2 . 19417 1 1277 . 1 1 124 124 LEU HD23 H 1 0.773 0.020 . 1 . . . . 126 LEU HD2 . 19417 1 1278 . 1 1 124 124 LEU CA C 13 57.848 0.200 . 1 . . . . 126 LEU CA . 19417 1 1279 . 1 1 124 124 LEU CB C 13 41.588 0.200 . 1 . . . . 126 LEU CB . 19417 1 1280 . 1 1 124 124 LEU CG C 13 27.143 0.200 . 1 . . . . 126 LEU CG . 19417 1 1281 . 1 1 124 124 LEU CD1 C 13 25.330 0.200 . 1 . . . . 126 LEU CD1 . 19417 1 1282 . 1 1 124 124 LEU CD2 C 13 22.525 0.200 . 1 . . . . 126 LEU CD2 . 19417 1 1283 . 1 1 124 124 LEU N N 15 120.240 0.200 . 1 . . . . 126 LEU N . 19417 1 1284 . 1 1 125 125 SER H H 1 8.257 0.020 . 1 . . . . 127 SER H . 19417 1 1285 . 1 1 125 125 SER HA H 1 4.215 0.020 . 1 . . . . 127 SER HA . 19417 1 1286 . 1 1 125 125 SER HB2 H 1 3.971 0.020 . 2 . . . . 127 SER HB . 19417 1 1287 . 1 1 125 125 SER HB3 H 1 3.971 0.020 . 2 . . . . 127 SER HB . 19417 1 1288 . 1 1 125 125 SER CA C 13 60.713 0.200 . 1 . . . . 127 SER CA . 19417 1 1289 . 1 1 125 125 SER CB C 13 62.422 0.200 . 1 . . . . 127 SER CB . 19417 1 1290 . 1 1 125 125 SER N N 15 113.713 0.200 . 1 . . . . 127 SER N . 19417 1 1291 . 1 1 126 126 THR H H 1 8.121 0.020 . 1 . . . . 128 THR H . 19417 1 1292 . 1 1 126 126 THR HA H 1 3.878 0.020 . 1 . . . . 128 THR HA . 19417 1 1293 . 1 1 126 126 THR HB H 1 4.202 0.020 . 1 . . . . 128 THR HB . 19417 1 1294 . 1 1 126 126 THR HG21 H 1 1.292 0.020 . 1 . . . . 128 THR HG2 . 19417 1 1295 . 1 1 126 126 THR HG22 H 1 1.292 0.020 . 1 . . . . 128 THR HG2 . 19417 1 1296 . 1 1 126 126 THR HG23 H 1 1.292 0.020 . 1 . . . . 128 THR HG2 . 19417 1 1297 . 1 1 126 126 THR CA C 13 66.787 0.200 . 1 . . . . 128 THR CA . 19417 1 1298 . 1 1 126 126 THR CB C 13 67.745 0.200 . 1 . . . . 128 THR CB . 19417 1 1299 . 1 1 126 126 THR CG2 C 13 21.638 0.200 . 1 . . . . 128 THR CG2 . 19417 1 1300 . 1 1 126 126 THR N N 15 119.440 0.200 . 1 . . . . 128 THR N . 19417 1 1301 . 1 1 127 127 TYR H H 1 9.090 0.020 . 1 . . . . 129 TYR H . 19417 1 1302 . 1 1 127 127 TYR HA H 1 4.296 0.020 . 1 . . . . 129 TYR HA . 19417 1 1303 . 1 1 127 127 TYR HB2 H 1 2.667 0.020 . 2 . . . . 129 TYR HB2 . 19417 1 1304 . 1 1 127 127 TYR HB3 H 1 2.345 0.020 . 2 . . . . 129 TYR HB3 . 19417 1 1305 . 1 1 127 127 TYR HD1 H 1 6.716 0.020 . 3 . . . . 129 TYR HD . 19417 1 1306 . 1 1 127 127 TYR HD2 H 1 6.716 0.020 . 3 . . . . 129 TYR HD . 19417 1 1307 . 1 1 127 127 TYR HE1 H 1 6.647 0.020 . 3 . . . . 129 TYR HE . 19417 1 1308 . 1 1 127 127 TYR HE2 H 1 6.647 0.020 . 3 . . . . 129 TYR HE . 19417 1 1309 . 1 1 127 127 TYR CA C 13 60.950 0.200 . 1 . . . . 129 TYR CA . 19417 1 1310 . 1 1 127 127 TYR CB C 13 38.507 0.200 . 1 . . . . 129 TYR CB . 19417 1 1311 . 1 1 127 127 TYR CD1 C 13 133.292 0.200 . 3 . . . . 129 TYR CD1 . 19417 1 1312 . 1 1 127 127 TYR CE2 C 13 117.819 0.200 . 3 . . . . 129 TYR CE2 . 19417 1 1313 . 1 1 127 127 TYR N N 15 126.980 0.200 . 1 . . . . 129 TYR N . 19417 1 1314 . 1 1 128 128 ASN H H 1 7.147 0.020 . 1 . . . . 130 ASN H . 19417 1 1315 . 1 1 128 128 ASN HA H 1 4.778 0.020 . 1 . . . . 130 ASN HA . 19417 1 1316 . 1 1 128 128 ASN HB2 H 1 3.090 0.020 . 2 . . . . 130 ASN HB2 . 19417 1 1317 . 1 1 128 128 ASN HB3 H 1 2.667 0.020 . 2 . . . . 130 ASN HB3 . 19417 1 1318 . 1 1 128 128 ASN HD21 H 1 7.045 0.020 . 2 . . . . 130 ASN HD21 . 19417 1 1319 . 1 1 128 128 ASN HD22 H 1 7.642 0.020 . 2 . . . . 130 ASN HD22 . 19417 1 1320 . 1 1 128 128 ASN CA C 13 53.233 0.200 . 1 . . . . 130 ASN CA . 19417 1 1321 . 1 1 128 128 ASN CB C 13 39.823 0.200 . 1 . . . . 130 ASN CB . 19417 1 1322 . 1 1 128 128 ASN N N 15 112.362 0.200 . 1 . . . . 130 ASN N . 19417 1 1323 . 1 1 128 128 ASN ND2 N 15 114.746 0.200 . 1 . . . . 130 ASN ND2 . 19417 1 1324 . 1 1 129 129 SER H H 1 7.774 0.020 . 1 . . . . 131 SER H . 19417 1 1325 . 1 1 129 129 SER HA H 1 4.453 0.020 . 1 . . . . 131 SER HA . 19417 1 1326 . 1 1 129 129 SER HB2 H 1 4.539 0.020 . 2 . . . . 131 SER HB2 . 19417 1 1327 . 1 1 129 129 SER HB3 H 1 4.395 0.020 . 2 . . . . 131 SER HB3 . 19417 1 1328 . 1 1 129 129 SER CA C 13 58.603 0.200 . 1 . . . . 131 SER CA . 19417 1 1329 . 1 1 129 129 SER CB C 13 65.372 0.200 . 1 . . . . 131 SER CB . 19417 1 1330 . 1 1 129 129 SER N N 15 116.300 0.200 . 1 . . . . 131 SER N . 19417 1 1331 . 1 1 130 130 PHE HA H 1 4.338 0.020 . 1 . . . . 132 PHE HA . 19417 1 1332 . 1 1 130 130 PHE HB2 H 1 3.133 0.020 . 2 . . . . 132 PHE HB2 . 19417 1 1333 . 1 1 130 130 PHE HB3 H 1 3.293 0.020 . 2 . . . . 132 PHE HB3 . 19417 1 1334 . 1 1 130 130 PHE HD1 H 1 7.338 0.020 . 3 . . . . 132 PHE HD1 . 19417 1 1335 . 1 1 130 130 PHE HD2 H 1 7.410 0.020 . 3 . . . . 132 PHE HD2 . 19417 1 1336 . 1 1 130 130 PHE CA C 13 60.611 0.200 . 1 . . . . 132 PHE CA . 19417 1 1337 . 1 1 130 130 PHE CB C 13 38.356 0.200 . 1 . . . . 132 PHE CB . 19417 1 1338 . 1 1 130 130 PHE CD1 C 13 131.507 0.200 . 3 . . . . 132 PHE CD1 . 19417 1 1339 . 1 1 130 130 PHE CD2 C 13 131.510 0.200 . 3 . . . . 132 PHE CD2 . 19417 1 1340 . 1 1 131 131 ALA HA H 1 4.106 0.020 . 1 . . . . 133 ALA HA . 19417 1 1341 . 1 1 131 131 ALA HB1 H 1 1.483 0.020 . 1 . . . . 133 ALA HB . 19417 1 1342 . 1 1 131 131 ALA HB2 H 1 1.483 0.020 . 1 . . . . 133 ALA HB . 19417 1 1343 . 1 1 131 131 ALA HB3 H 1 1.483 0.020 . 1 . . . . 133 ALA HB . 19417 1 1344 . 1 1 131 131 ALA CA C 13 55.073 0.200 . 1 . . . . 133 ALA CA . 19417 1 1345 . 1 1 131 131 ALA CB C 13 17.883 0.200 . 1 . . . . 133 ALA CB . 19417 1 1346 . 1 1 132 132 ILE H H 1 7.273 0.020 . 1 . . . . 134 ILE H . 19417 1 1347 . 1 1 132 132 ILE HA H 1 3.790 0.020 . 1 . . . . 134 ILE HA . 19417 1 1348 . 1 1 132 132 ILE HB H 1 2.081 0.020 . 1 . . . . 134 ILE HB . 19417 1 1349 . 1 1 132 132 ILE HG12 H 1 1.349 0.020 . 2 . . . . 134 ILE HG12 . 19417 1 1350 . 1 1 132 132 ILE HG13 H 1 1.423 0.020 . 2 . . . . 134 ILE HG13 . 19417 1 1351 . 1 1 132 132 ILE HG21 H 1 0.755 0.020 . 1 . . . . 134 ILE HG2 . 19417 1 1352 . 1 1 132 132 ILE HG22 H 1 0.755 0.020 . 1 . . . . 134 ILE HG2 . 19417 1 1353 . 1 1 132 132 ILE HG23 H 1 0.755 0.020 . 1 . . . . 134 ILE HG2 . 19417 1 1354 . 1 1 132 132 ILE HD11 H 1 0.552 0.020 . 1 . . . . 134 ILE HD1 . 19417 1 1355 . 1 1 132 132 ILE HD12 H 1 0.552 0.020 . 1 . . . . 134 ILE HD1 . 19417 1 1356 . 1 1 132 132 ILE HD13 H 1 0.552 0.020 . 1 . . . . 134 ILE HD1 . 19417 1 1357 . 1 1 132 132 ILE CA C 13 60.708 0.200 . 1 . . . . 134 ILE CA . 19417 1 1358 . 1 1 132 132 ILE CB C 13 34.943 0.200 . 1 . . . . 134 ILE CB . 19417 1 1359 . 1 1 132 132 ILE CG1 C 13 27.895 0.200 . 1 . . . . 134 ILE CG1 . 19417 1 1360 . 1 1 132 132 ILE CG2 C 13 17.709 0.200 . 1 . . . . 134 ILE CG2 . 19417 1 1361 . 1 1 132 132 ILE CD1 C 13 8.795 0.200 . 1 . . . . 134 ILE CD1 . 19417 1 1362 . 1 1 132 132 ILE N N 15 119.930 0.200 . 1 . . . . 134 ILE N . 19417 1 1363 . 1 1 133 133 LYS H H 1 7.504 0.020 . 1 . . . . 135 LYS H . 19417 1 1364 . 1 1 133 133 LYS HA H 1 3.887 0.020 . 1 . . . . 135 LYS HA . 19417 1 1365 . 1 1 133 133 LYS HB2 H 1 1.899 0.020 . 2 . . . . 135 LYS HB2 . 19417 1 1366 . 1 1 133 133 LYS HB3 H 1 1.856 0.020 . 2 . . . . 135 LYS HB3 . 19417 1 1367 . 1 1 133 133 LYS HG2 H 1 1.501 0.020 . 2 . . . . 135 LYS HG2 . 19417 1 1368 . 1 1 133 133 LYS HG3 H 1 1.354 0.020 . 2 . . . . 135 LYS HG3 . 19417 1 1369 . 1 1 133 133 LYS CA C 13 59.804 0.200 . 1 . . . . 135 LYS CA . 19417 1 1370 . 1 1 133 133 LYS CB C 13 31.488 0.200 . 1 . . . . 135 LYS CB . 19417 1 1371 . 1 1 133 133 LYS CG C 13 24.710 0.200 . 1 . . . . 135 LYS CG . 19417 1 1372 . 1 1 133 133 LYS N N 15 122.935 0.200 . 1 . . . . 135 LYS N . 19417 1 1373 . 1 1 134 134 GLY H H 1 8.021 0.020 . 1 . . . . 136 GLY H . 19417 1 1374 . 1 1 134 134 GLY HA2 H 1 3.887 0.020 . 2 . . . . 136 GLY HA2 . 19417 1 1375 . 1 1 134 134 GLY HA3 H 1 3.856 0.020 . 2 . . . . 136 GLY HA3 . 19417 1 1376 . 1 1 134 134 GLY CA C 13 46.804 0.200 . 1 . . . . 136 GLY CA . 19417 1 1377 . 1 1 134 134 GLY N N 15 106.509 0.200 . 1 . . . . 136 GLY N . 19417 1 1378 . 1 1 135 135 GLN H H 1 7.853 0.020 . 1 . . . . 137 GLN H . 19417 1 1379 . 1 1 135 135 GLN HA H 1 4.161 0.020 . 1 . . . . 137 GLN HA . 19417 1 1380 . 1 1 135 135 GLN HB2 H 1 2.230 0.020 . 2 . . . . 137 GLN HB . 19417 1 1381 . 1 1 135 135 GLN HB3 H 1 2.230 0.020 . 2 . . . . 137 GLN HB . 19417 1 1382 . 1 1 135 135 GLN HG2 H 1 2.454 0.020 . 2 . . . . 137 GLN HG2 . 19417 1 1383 . 1 1 135 135 GLN HG3 H 1 2.608 0.020 . 2 . . . . 137 GLN HG3 . 19417 1 1384 . 1 1 135 135 GLN HE21 H 1 7.267 0.020 . 2 . . . . 137 GLN HE21 . 19417 1 1385 . 1 1 135 135 GLN HE22 H 1 6.713 0.020 . 2 . . . . 137 GLN HE22 . 19417 1 1386 . 1 1 135 135 GLN CA C 13 58.541 0.200 . 1 . . . . 137 GLN CA . 19417 1 1387 . 1 1 135 135 GLN CB C 13 29.213 0.200 . 1 . . . . 137 GLN CB . 19417 1 1388 . 1 1 135 135 GLN CG C 13 33.822 0.200 . 1 . . . . 137 GLN CG . 19417 1 1389 . 1 1 135 135 GLN N N 15 123.240 0.200 . 1 . . . . 137 GLN N . 19417 1 1390 . 1 1 135 135 GLN NE2 N 15 110.472 0.200 . 1 . . . . 137 GLN NE2 . 19417 1 1391 . 1 1 136 136 MET H H 1 8.519 0.020 . 1 . . . . 138 MET H . 19417 1 1392 . 1 1 136 136 MET HA H 1 3.967 0.020 . 1 . . . . 138 MET HA . 19417 1 1393 . 1 1 136 136 MET HB2 H 1 1.867 0.020 . 2 . . . . 138 MET HB2 . 19417 1 1394 . 1 1 136 136 MET HB3 H 1 1.634 0.020 . 2 . . . . 138 MET HB3 . 19417 1 1395 . 1 1 136 136 MET HG2 H 1 2.455 0.020 . 2 . . . . 138 MET HG2 . 19417 1 1396 . 1 1 136 136 MET HG3 H 1 2.295 0.020 . 2 . . . . 138 MET HG3 . 19417 1 1397 . 1 1 136 136 MET HE1 H 1 2.113 0.020 . 1 . . . . 138 MET HE . 19417 1 1398 . 1 1 136 136 MET HE2 H 1 2.113 0.020 . 1 . . . . 138 MET HE . 19417 1 1399 . 1 1 136 136 MET HE3 H 1 2.113 0.020 . 1 . . . . 138 MET HE . 19417 1 1400 . 1 1 136 136 MET CA C 13 57.802 0.200 . 1 . . . . 138 MET CA . 19417 1 1401 . 1 1 136 136 MET CB C 13 32.006 0.200 . 1 . . . . 138 MET CB . 19417 1 1402 . 1 1 136 136 MET CG C 13 31.611 0.200 . 1 . . . . 138 MET CG . 19417 1 1403 . 1 1 136 136 MET CE C 13 17.721 0.200 . 1 . . . . 138 MET CE . 19417 1 1404 . 1 1 136 136 MET N N 15 121.384 0.200 . 1 . . . . 138 MET N . 19417 1 1405 . 1 1 137 137 GLU H H 1 7.675 0.020 . 1 . . . . 139 GLU H . 19417 1 1406 . 1 1 137 137 GLU HA H 1 3.977 0.020 . 1 . . . . 139 GLU HA . 19417 1 1407 . 1 1 137 137 GLU HB2 H 1 2.133 0.020 . 2 . . . . 139 GLU HB2 . 19417 1 1408 . 1 1 137 137 GLU HB3 H 1 2.096 0.020 . 2 . . . . 139 GLU HB3 . 19417 1 1409 . 1 1 137 137 GLU HG2 H 1 2.313 0.020 . 2 . . . . 139 GLU HG2 . 19417 1 1410 . 1 1 137 137 GLU HG3 H 1 2.409 0.020 . 2 . . . . 139 GLU HG3 . 19417 1 1411 . 1 1 137 137 GLU CA C 13 59.022 0.200 . 1 . . . . 139 GLU CA . 19417 1 1412 . 1 1 137 137 GLU CB C 13 28.842 0.200 . 1 . . . . 139 GLU CB . 19417 1 1413 . 1 1 137 137 GLU CG C 13 35.682 0.200 . 1 . . . . 139 GLU CG . 19417 1 1414 . 1 1 137 137 GLU N N 15 119.538 0.200 . 1 . . . . 139 GLU N . 19417 1 1415 . 1 1 138 138 LYS H H 1 7.828 0.020 . 1 . . . . 140 LYS H . 19417 1 1416 . 1 1 138 138 LYS HA H 1 3.996 0.020 . 1 . . . . 140 LYS HA . 19417 1 1417 . 1 1 138 138 LYS HB2 H 1 1.881 0.020 . 2 . . . . 140 LYS HB2 . 19417 1 1418 . 1 1 138 138 LYS HB3 H 1 1.938 0.020 . 2 . . . . 140 LYS HB3 . 19417 1 1419 . 1 1 138 138 LYS HG2 H 1 1.548 0.020 . 2 . . . . 140 LYS HG2 . 19417 1 1420 . 1 1 138 138 LYS HG3 H 1 1.380 0.020 . 2 . . . . 140 LYS HG3 . 19417 1 1421 . 1 1 138 138 LYS CA C 13 59.139 0.200 . 1 . . . . 140 LYS CA . 19417 1 1422 . 1 1 138 138 LYS CB C 13 32.053 0.200 . 1 . . . . 140 LYS CB . 19417 1 1423 . 1 1 138 138 LYS CG C 13 24.710 0.200 . 1 . . . . 140 LYS CG . 19417 1 1424 . 1 1 138 138 LYS N N 15 119.980 0.200 . 1 . . . . 140 LYS N . 19417 1 1425 . 1 1 139 139 ALA H H 1 8.381 0.020 . 1 . . . . 141 ALA H . 19417 1 1426 . 1 1 139 139 ALA HA H 1 4.113 0.020 . 1 . . . . 141 ALA HA . 19417 1 1427 . 1 1 139 139 ALA HB1 H 1 1.637 0.020 . 1 . . . . 141 ALA HB . 19417 1 1428 . 1 1 139 139 ALA HB2 H 1 1.637 0.020 . 1 . . . . 141 ALA HB . 19417 1 1429 . 1 1 139 139 ALA HB3 H 1 1.637 0.020 . 1 . . . . 141 ALA HB . 19417 1 1430 . 1 1 139 139 ALA CA C 13 55.018 0.200 . 1 . . . . 141 ALA CA . 19417 1 1431 . 1 1 139 139 ALA CB C 13 16.991 0.200 . 1 . . . . 141 ALA CB . 19417 1 1432 . 1 1 139 139 ALA N N 15 121.338 0.200 . 1 . . . . 141 ALA N . 19417 1 1433 . 1 1 140 140 LYS H H 1 8.295 0.020 . 1 . . . . 142 LYS H . 19417 1 1434 . 1 1 140 140 LYS HA H 1 4.052 0.020 . 1 . . . . 142 LYS HA . 19417 1 1435 . 1 1 140 140 LYS HB2 H 1 2.022 0.020 . 2 . . . . 142 LYS HB2 . 19417 1 1436 . 1 1 140 140 LYS HB3 H 1 1.981 0.020 . 2 . . . . 142 LYS HB3 . 19417 1 1437 . 1 1 140 140 LYS HG2 H 1 1.658 0.020 . 2 . . . . 142 LYS HG2 . 19417 1 1438 . 1 1 140 140 LYS HG3 H 1 1.468 0.020 . 2 . . . . 142 LYS HG3 . 19417 1 1439 . 1 1 140 140 LYS CA C 13 59.829 0.200 . 1 . . . . 142 LYS CA . 19417 1 1440 . 1 1 140 140 LYS CB C 13 32.553 0.200 . 1 . . . . 142 LYS CB . 19417 1 1441 . 1 1 140 140 LYS CG C 13 25.265 0.200 . 1 . . . . 142 LYS CG . 19417 1 1442 . 1 1 140 140 LYS N N 15 122.024 0.200 . 1 . . . . 142 LYS N . 19417 1 1443 . 1 1 141 141 LYS H H 1 7.767 0.020 . 1 . . . . 143 LYS H . 19417 1 1444 . 1 1 141 141 LYS HA H 1 3.997 0.020 . 1 . . . . 143 LYS HA . 19417 1 1445 . 1 1 141 141 LYS HB2 H 1 1.941 0.020 . 2 . . . . 143 LYS HB2 . 19417 1 1446 . 1 1 141 141 LYS HB3 H 1 1.882 0.020 . 2 . . . . 143 LYS HB3 . 19417 1 1447 . 1 1 141 141 LYS HG2 H 1 1.639 0.020 . 2 . . . . 143 LYS HG2 . 19417 1 1448 . 1 1 141 141 LYS HG3 H 1 1.402 0.020 . 2 . . . . 143 LYS HG3 . 19417 1 1449 . 1 1 141 141 LYS HD2 H 1 1.654 0.020 . 2 . . . . 143 LYS HD . 19417 1 1450 . 1 1 141 141 LYS HD3 H 1 1.654 0.020 . 2 . . . . 143 LYS HD . 19417 1 1451 . 1 1 141 141 LYS CA C 13 59.137 0.200 . 1 . . . . 143 LYS CA . 19417 1 1452 . 1 1 141 141 LYS CB C 13 32.103 0.200 . 1 . . . . 143 LYS CB . 19417 1 1453 . 1 1 141 141 LYS CG C 13 25.364 0.200 . 1 . . . . 143 LYS CG . 19417 1 1454 . 1 1 141 141 LYS CD C 13 29.028 0.200 . 1 . . . . 143 LYS CD . 19417 1 1455 . 1 1 141 141 LYS N N 15 119.421 0.200 . 1 . . . . 143 LYS N . 19417 1 1456 . 1 1 142 142 LEU H H 1 8.368 0.020 . 1 . . . . 144 LEU H . 19417 1 1457 . 1 1 142 142 LEU HA H 1 3.726 0.020 . 1 . . . . 144 LEU HA . 19417 1 1458 . 1 1 142 142 LEU HB2 H 1 1.111 0.020 . 2 . . . . 144 LEU HB2 . 19417 1 1459 . 1 1 142 142 LEU HB3 H 1 1.701 0.020 . 2 . . . . 144 LEU HB3 . 19417 1 1460 . 1 1 142 142 LEU HG H 1 1.607 0.020 . 1 . . . . 144 LEU HG . 19417 1 1461 . 1 1 142 142 LEU HD11 H 1 0.838 0.020 . 1 . . . . 144 LEU HD1 . 19417 1 1462 . 1 1 142 142 LEU HD12 H 1 0.838 0.020 . 1 . . . . 144 LEU HD1 . 19417 1 1463 . 1 1 142 142 LEU HD13 H 1 0.838 0.020 . 1 . . . . 144 LEU HD1 . 19417 1 1464 . 1 1 142 142 LEU HD21 H 1 0.648 0.020 . 1 . . . . 144 LEU HD2 . 19417 1 1465 . 1 1 142 142 LEU HD22 H 1 0.648 0.020 . 1 . . . . 144 LEU HD2 . 19417 1 1466 . 1 1 142 142 LEU HD23 H 1 0.648 0.020 . 1 . . . . 144 LEU HD2 . 19417 1 1467 . 1 1 142 142 LEU CA C 13 57.219 0.200 . 1 . . . . 144 LEU CA . 19417 1 1468 . 1 1 142 142 LEU CB C 13 40.787 0.200 . 1 . . . . 144 LEU CB . 19417 1 1469 . 1 1 142 142 LEU CG C 13 26.653 0.200 . 1 . . . . 144 LEU CG . 19417 1 1470 . 1 1 142 142 LEU CD1 C 13 26.045 0.200 . 1 . . . . 144 LEU CD1 . 19417 1 1471 . 1 1 142 142 LEU CD2 C 13 21.818 0.200 . 1 . . . . 144 LEU CD2 . 19417 1 1472 . 1 1 142 142 LEU N N 15 121.458 0.200 . 1 . . . . 144 LEU N . 19417 1 1473 . 1 1 143 143 ALA H H 1 7.634 0.020 . 1 . . . . 145 ALA H . 19417 1 1474 . 1 1 143 143 ALA HA H 1 3.928 0.020 . 1 . . . . 145 ALA HA . 19417 1 1475 . 1 1 143 143 ALA HB1 H 1 1.585 0.020 . 1 . . . . 145 ALA HB . 19417 1 1476 . 1 1 143 143 ALA HB2 H 1 1.585 0.020 . 1 . . . . 145 ALA HB . 19417 1 1477 . 1 1 143 143 ALA HB3 H 1 1.585 0.020 . 1 . . . . 145 ALA HB . 19417 1 1478 . 1 1 143 143 ALA CA C 13 55.690 0.200 . 1 . . . . 145 ALA CA . 19417 1 1479 . 1 1 143 143 ALA CB C 13 17.416 0.200 . 1 . . . . 145 ALA CB . 19417 1 1480 . 1 1 143 143 ALA N N 15 119.009 0.200 . 1 . . . . 145 ALA N . 19417 1 1481 . 1 1 144 144 MET H H 1 7.439 0.020 . 1 . . . . 146 MET H . 19417 1 1482 . 1 1 144 144 MET HA H 1 4.271 0.020 . 1 . . . . 146 MET HA . 19417 1 1483 . 1 1 144 144 MET HB2 H 1 2.163 0.020 . 2 . . . . 146 MET HB . 19417 1 1484 . 1 1 144 144 MET HB3 H 1 2.163 0.020 . 2 . . . . 146 MET HB . 19417 1 1485 . 1 1 144 144 MET HG2 H 1 2.747 0.020 . 2 . . . . 146 MET HG2 . 19417 1 1486 . 1 1 144 144 MET HG3 H 1 2.586 0.020 . 2 . . . . 146 MET HG3 . 19417 1 1487 . 1 1 144 144 MET HE1 H 1 2.067 0.020 . 1 . . . . 146 MET HE . 19417 1 1488 . 1 1 144 144 MET HE2 H 1 2.067 0.020 . 1 . . . . 146 MET HE . 19417 1 1489 . 1 1 144 144 MET HE3 H 1 2.067 0.020 . 1 . . . . 146 MET HE . 19417 1 1490 . 1 1 144 144 MET CA C 13 57.707 0.200 . 1 . . . . 146 MET CA . 19417 1 1491 . 1 1 144 144 MET CB C 13 32.211 0.200 . 1 . . . . 146 MET CB . 19417 1 1492 . 1 1 144 144 MET CG C 13 31.773 0.200 . 1 . . . . 146 MET CG . 19417 1 1493 . 1 1 144 144 MET CE C 13 16.615 0.200 . 1 . . . . 146 MET CE . 19417 1 1494 . 1 1 144 144 MET N N 15 114.750 0.200 . 1 . . . . 146 MET N . 19417 1 1495 . 1 1 145 145 ALA H H 1 8.037 0.020 . 1 . . . . 147 ALA H . 19417 1 1496 . 1 1 145 145 ALA HA H 1 4.114 0.020 . 1 . . . . 147 ALA HA . 19417 1 1497 . 1 1 145 145 ALA HB1 H 1 1.352 0.020 . 1 . . . . 147 ALA HB . 19417 1 1498 . 1 1 145 145 ALA HB2 H 1 1.352 0.020 . 1 . . . . 147 ALA HB . 19417 1 1499 . 1 1 145 145 ALA HB3 H 1 1.352 0.020 . 1 . . . . 147 ALA HB . 19417 1 1500 . 1 1 145 145 ALA CA C 13 54.791 0.200 . 1 . . . . 147 ALA CA . 19417 1 1501 . 1 1 145 145 ALA CB C 13 18.017 0.200 . 1 . . . . 147 ALA CB . 19417 1 1502 . 1 1 145 145 ALA N N 15 126.260 0.200 . 1 . . . . 147 ALA N . 19417 1 1503 . 1 1 146 146 TYR H H 1 8.344 0.020 . 1 . . . . 148 TYR H . 19417 1 1504 . 1 1 146 146 TYR HA H 1 4.654 0.020 . 1 . . . . 148 TYR HA . 19417 1 1505 . 1 1 146 146 TYR HB2 H 1 3.163 0.020 . 2 . . . . 148 TYR HB2 . 19417 1 1506 . 1 1 146 146 TYR HB3 H 1 2.911 0.020 . 2 . . . . 148 TYR HB3 . 19417 1 1507 . 1 1 146 146 TYR HD1 H 1 6.656 0.020 . 3 . . . . 148 TYR HD . 19417 1 1508 . 1 1 146 146 TYR HD2 H 1 6.656 0.020 . 3 . . . . 148 TYR HD . 19417 1 1509 . 1 1 146 146 TYR HE1 H 1 6.529 0.020 . 3 . . . . 148 TYR HE . 19417 1 1510 . 1 1 146 146 TYR HE2 H 1 6.529 0.020 . 3 . . . . 148 TYR HE . 19417 1 1511 . 1 1 146 146 TYR CA C 13 55.098 0.200 . 1 . . . . 148 TYR CA . 19417 1 1512 . 1 1 146 146 TYR CB C 13 38.964 0.200 . 1 . . . . 148 TYR CB . 19417 1 1513 . 1 1 146 146 TYR CD1 C 13 131.241 0.200 . 3 . . . . 148 TYR CD1 . 19417 1 1514 . 1 1 146 146 TYR CE1 C 13 116.863 0.200 . 3 . . . . 148 TYR CE1 . 19417 1 1515 . 1 1 146 146 TYR N N 15 114.745 0.200 . 1 . . . . 148 TYR N . 19417 1 1516 . 1 1 147 147 GLN H H 1 7.779 0.020 . 1 . . . . 149 GLN H . 19417 1 1517 . 1 1 147 147 GLN HA H 1 3.855 0.020 . 1 . . . . 149 GLN HA . 19417 1 1518 . 1 1 147 147 GLN HB2 H 1 2.166 0.020 . 2 . . . . 149 GLN HB2 . 19417 1 1519 . 1 1 147 147 GLN HB3 H 1 2.104 0.020 . 2 . . . . 149 GLN HB3 . 19417 1 1520 . 1 1 147 147 GLN HG2 H 1 2.324 0.020 . 2 . . . . 149 GLN HG2 . 19417 1 1521 . 1 1 147 147 GLN HG3 H 1 2.368 0.020 . 2 . . . . 149 GLN HG3 . 19417 1 1522 . 1 1 147 147 GLN HE21 H 1 7.528 0.020 . 2 . . . . 149 GLN HE21 . 19417 1 1523 . 1 1 147 147 GLN HE22 H 1 6.864 0.020 . 2 . . . . 149 GLN HE22 . 19417 1 1524 . 1 1 147 147 GLN CA C 13 55.872 0.200 . 1 . . . . 149 GLN CA . 19417 1 1525 . 1 1 147 147 GLN CB C 13 25.360 0.200 . 1 . . . . 149 GLN CB . 19417 1 1526 . 1 1 147 147 GLN CG C 13 33.832 0.200 . 1 . . . . 149 GLN CG . 19417 1 1527 . 1 1 147 147 GLN N N 15 113.405 0.200 . 1 . . . . 149 GLN N . 19417 1 1528 . 1 1 147 147 GLN NE2 N 15 112.532 0.200 . 1 . . . . 149 GLN NE2 . 19417 1 1529 . 1 1 148 148 VAL H H 1 7.541 0.020 . 1 . . . . 150 VAL H . 19417 1 1530 . 1 1 148 148 VAL HA H 1 4.128 0.020 . 1 . . . . 150 VAL HA . 19417 1 1531 . 1 1 148 148 VAL HB H 1 2.143 0.020 . 1 . . . . 150 VAL HB . 19417 1 1532 . 1 1 148 148 VAL HG11 H 1 1.281 0.020 . 1 . . . . 150 VAL HG1 . 19417 1 1533 . 1 1 148 148 VAL HG12 H 1 1.281 0.020 . 1 . . . . 150 VAL HG1 . 19417 1 1534 . 1 1 148 148 VAL HG13 H 1 1.281 0.020 . 1 . . . . 150 VAL HG1 . 19417 1 1535 . 1 1 148 148 VAL HG21 H 1 1.239 0.020 . 1 . . . . 150 VAL HG2 . 19417 1 1536 . 1 1 148 148 VAL HG22 H 1 1.239 0.020 . 1 . . . . 150 VAL HG2 . 19417 1 1537 . 1 1 148 148 VAL HG23 H 1 1.239 0.020 . 1 . . . . 150 VAL HG2 . 19417 1 1538 . 1 1 148 148 VAL CA C 13 62.224 0.200 . 1 . . . . 150 VAL CA . 19417 1 1539 . 1 1 148 148 VAL CB C 13 32.679 0.200 . 1 . . . . 150 VAL CB . 19417 1 1540 . 1 1 148 148 VAL CG1 C 13 22.145 0.200 . 1 . . . . 150 VAL CG1 . 19417 1 1541 . 1 1 148 148 VAL CG2 C 13 23.562 0.200 . 1 . . . . 150 VAL CG2 . 19417 1 1542 . 1 1 148 148 VAL N N 15 115.992 0.200 . 1 . . . . 150 VAL N . 19417 1 1543 . 1 1 149 149 THR H H 1 9.036 0.020 . 1 . . . . 151 THR H . 19417 1 1544 . 1 1 149 149 THR HA H 1 4.327 0.020 . 1 . . . . 151 THR HA . 19417 1 1545 . 1 1 149 149 THR HB H 1 4.311 0.020 . 1 . . . . 151 THR HB . 19417 1 1546 . 1 1 149 149 THR HG21 H 1 1.031 0.020 . 1 . . . . 151 THR HG2 . 19417 1 1547 . 1 1 149 149 THR HG22 H 1 1.031 0.020 . 1 . . . . 151 THR HG2 . 19417 1 1548 . 1 1 149 149 THR HG23 H 1 1.031 0.020 . 1 . . . . 151 THR HG2 . 19417 1 1549 . 1 1 149 149 THR CA C 13 60.877 0.200 . 1 . . . . 151 THR CA . 19417 1 1550 . 1 1 149 149 THR CB C 13 69.760 0.200 . 1 . . . . 151 THR CB . 19417 1 1551 . 1 1 149 149 THR CG2 C 13 21.127 0.200 . 1 . . . . 151 THR CG2 . 19417 1 1552 . 1 1 149 149 THR N N 15 115.753 0.200 . 1 . . . . 151 THR N . 19417 1 1553 . 1 1 150 150 GLY H H 1 7.785 0.020 . 1 . . . . 152 GLY H . 19417 1 1554 . 1 1 150 150 GLY HA2 H 1 4.582 0.020 . 2 . . . . 152 GLY HA2 . 19417 1 1555 . 1 1 150 150 GLY HA3 H 1 4.129 0.020 . 2 . . . . 152 GLY HA3 . 19417 1 1556 . 1 1 150 150 GLY CA C 13 44.617 0.200 . 1 . . . . 152 GLY CA . 19417 1 1557 . 1 1 150 150 GLY N N 15 110.680 0.200 . 1 . . . . 152 GLY N . 19417 1 1558 . 1 1 151 151 VAL H H 1 8.818 0.020 . 1 . . . . 153 VAL H . 19417 1 1559 . 1 1 151 151 VAL HA H 1 4.910 0.020 . 1 . . . . 153 VAL HA . 19417 1 1560 . 1 1 151 151 VAL HB H 1 2.323 0.020 . 1 . . . . 153 VAL HB . 19417 1 1561 . 1 1 151 151 VAL HG11 H 1 0.905 0.020 . 1 . . . . 153 VAL HG1 . 19417 1 1562 . 1 1 151 151 VAL HG12 H 1 0.905 0.020 . 1 . . . . 153 VAL HG1 . 19417 1 1563 . 1 1 151 151 VAL HG13 H 1 0.905 0.020 . 1 . . . . 153 VAL HG1 . 19417 1 1564 . 1 1 151 151 VAL HG21 H 1 1.482 0.020 . 1 . . . . 153 VAL HG2 . 19417 1 1565 . 1 1 151 151 VAL HG22 H 1 1.482 0.020 . 1 . . . . 153 VAL HG2 . 19417 1 1566 . 1 1 151 151 VAL HG23 H 1 1.482 0.020 . 1 . . . . 153 VAL HG2 . 19417 1 1567 . 1 1 151 151 VAL CA C 13 57.551 0.200 . 1 . . . . 153 VAL CA . 19417 1 1568 . 1 1 151 151 VAL CB C 13 36.228 0.200 . 1 . . . . 153 VAL CB . 19417 1 1569 . 1 1 151 151 VAL CG1 C 13 24.872 0.200 . 1 . . . . 153 VAL CG1 . 19417 1 1570 . 1 1 151 151 VAL CG2 C 13 19.724 0.200 . 1 . . . . 153 VAL CG2 . 19417 1 1571 . 1 1 151 151 VAL N N 15 111.520 0.200 . 1 . . . . 153 VAL N . 19417 1 1572 . 1 1 152 152 PRO HA H 1 5.332 0.020 . 1 . . . . 154 PRO HA . 19417 1 1573 . 1 1 152 152 PRO HB2 H 1 2.067 0.020 . 2 . . . . 154 PRO HB2 . 19417 1 1574 . 1 1 152 152 PRO HB3 H 1 2.631 0.020 . 2 . . . . 154 PRO HB3 . 19417 1 1575 . 1 1 152 152 PRO HG2 H 1 1.919 0.020 . 2 . . . . 154 PRO HG2 . 19417 1 1576 . 1 1 152 152 PRO HG3 H 1 1.833 0.020 . 2 . . . . 154 PRO HG3 . 19417 1 1577 . 1 1 152 152 PRO HD2 H 1 3.501 0.020 . 2 . . . . 154 PRO HD2 . 19417 1 1578 . 1 1 152 152 PRO HD3 H 1 3.903 0.020 . 2 . . . . 154 PRO HD3 . 19417 1 1579 . 1 1 152 152 PRO CA C 13 62.411 0.200 . 1 . . . . 154 PRO CA . 19417 1 1580 . 1 1 152 152 PRO CB C 13 34.200 0.200 . 1 . . . . 154 PRO CB . 19417 1 1581 . 1 1 152 152 PRO CG C 13 24.932 0.200 . 1 . . . . 154 PRO CG . 19417 1 1582 . 1 1 152 152 PRO CD C 13 49.891 0.200 . 1 . . . . 154 PRO CD . 19417 1 1583 . 1 1 153 153 THR H H 1 8.335 0.020 . 1 . . . . 155 THR H . 19417 1 1584 . 1 1 153 153 THR HA H 1 4.681 0.020 . 1 . . . . 155 THR HA . 19417 1 1585 . 1 1 153 153 THR HB H 1 3.869 0.020 . 1 . . . . 155 THR HB . 19417 1 1586 . 1 1 153 153 THR HG21 H 1 1.274 0.020 . 1 . . . . 155 THR HG2 . 19417 1 1587 . 1 1 153 153 THR HG22 H 1 1.274 0.020 . 1 . . . . 155 THR HG2 . 19417 1 1588 . 1 1 153 153 THR HG23 H 1 1.274 0.020 . 1 . . . . 155 THR HG2 . 19417 1 1589 . 1 1 153 153 THR CA C 13 62.246 0.200 . 1 . . . . 155 THR CA . 19417 1 1590 . 1 1 153 153 THR CB C 13 72.875 0.200 . 1 . . . . 155 THR CB . 19417 1 1591 . 1 1 153 153 THR CG2 C 13 23.413 0.200 . 1 . . . . 155 THR CG2 . 19417 1 1592 . 1 1 153 153 THR N N 15 119.080 0.200 . 1 . . . . 155 THR N . 19417 1 1593 . 1 1 154 154 MET H H 1 8.912 0.020 . 1 . . . . 156 MET H . 19417 1 1594 . 1 1 154 154 MET HA H 1 5.668 0.020 . 1 . . . . 156 MET HA . 19417 1 1595 . 1 1 154 154 MET HB2 H 1 1.211 0.020 . 2 . . . . 156 MET HB2 . 19417 1 1596 . 1 1 154 154 MET HB3 H 1 0.313 0.020 . 2 . . . . 156 MET HB3 . 19417 1 1597 . 1 1 154 154 MET HG2 H 1 2.100 0.020 . 2 . . . . 156 MET HG . 19417 1 1598 . 1 1 154 154 MET HG3 H 1 2.100 0.020 . 2 . . . . 156 MET HG . 19417 1 1599 . 1 1 154 154 MET HE1 H 1 1.775 0.020 . 1 . . . . 156 MET HE . 19417 1 1600 . 1 1 154 154 MET HE2 H 1 1.775 0.020 . 1 . . . . 156 MET HE . 19417 1 1601 . 1 1 154 154 MET HE3 H 1 1.775 0.020 . 1 . . . . 156 MET HE . 19417 1 1602 . 1 1 154 154 MET CA C 13 52.353 0.200 . 1 . . . . 156 MET CA . 19417 1 1603 . 1 1 154 154 MET CB C 13 34.314 0.200 . 1 . . . . 156 MET CB . 19417 1 1604 . 1 1 154 154 MET CG C 13 31.919 0.200 . 1 . . . . 156 MET CG . 19417 1 1605 . 1 1 154 154 MET CE C 13 16.413 0.200 . 1 . . . . 156 MET CE . 19417 1 1606 . 1 1 154 154 MET N N 15 124.670 0.200 . 1 . . . . 156 MET N . 19417 1 1607 . 1 1 155 155 VAL H H 1 8.601 0.020 . 1 . . . . 157 VAL H . 19417 1 1608 . 1 1 155 155 VAL HA H 1 5.373 0.020 . 1 . . . . 157 VAL HA . 19417 1 1609 . 1 1 155 155 VAL HB H 1 1.235 0.020 . 1 . . . . 157 VAL HB . 19417 1 1610 . 1 1 155 155 VAL HG11 H 1 0.384 0.020 . 1 . . . . 157 VAL HG1 . 19417 1 1611 . 1 1 155 155 VAL HG12 H 1 0.384 0.020 . 1 . . . . 157 VAL HG1 . 19417 1 1612 . 1 1 155 155 VAL HG13 H 1 0.384 0.020 . 1 . . . . 157 VAL HG1 . 19417 1 1613 . 1 1 155 155 VAL HG21 H 1 0.188 0.020 . 1 . . . . 157 VAL HG2 . 19417 1 1614 . 1 1 155 155 VAL HG22 H 1 0.188 0.020 . 1 . . . . 157 VAL HG2 . 19417 1 1615 . 1 1 155 155 VAL HG23 H 1 0.188 0.020 . 1 . . . . 157 VAL HG2 . 19417 1 1616 . 1 1 155 155 VAL CA C 13 59.396 0.200 . 1 . . . . 157 VAL CA . 19417 1 1617 . 1 1 155 155 VAL CB C 13 34.848 0.200 . 1 . . . . 157 VAL CB . 19417 1 1618 . 1 1 155 155 VAL CG1 C 13 20.031 0.200 . 1 . . . . 157 VAL CG1 . 19417 1 1619 . 1 1 155 155 VAL CG2 C 13 19.599 0.200 . 1 . . . . 157 VAL CG2 . 19417 1 1620 . 1 1 155 155 VAL N N 15 118.395 0.200 . 1 . . . . 157 VAL N . 19417 1 1621 . 1 1 156 156 VAL H H 1 9.205 0.020 . 1 . . . . 158 VAL H . 19417 1 1622 . 1 1 156 156 VAL HA H 1 5.064 0.020 . 1 . . . . 158 VAL HA . 19417 1 1623 . 1 1 156 156 VAL HB H 1 2.250 0.020 . 1 . . . . 158 VAL HB . 19417 1 1624 . 1 1 156 156 VAL HG11 H 1 1.047 0.020 . 1 . . . . 158 VAL HG1 . 19417 1 1625 . 1 1 156 156 VAL HG12 H 1 1.047 0.020 . 1 . . . . 158 VAL HG1 . 19417 1 1626 . 1 1 156 156 VAL HG13 H 1 1.047 0.020 . 1 . . . . 158 VAL HG1 . 19417 1 1627 . 1 1 156 156 VAL HG21 H 1 1.393 0.020 . 1 . . . . 158 VAL HG2 . 19417 1 1628 . 1 1 156 156 VAL HG22 H 1 1.393 0.020 . 1 . . . . 158 VAL HG2 . 19417 1 1629 . 1 1 156 156 VAL HG23 H 1 1.393 0.020 . 1 . . . . 158 VAL HG2 . 19417 1 1630 . 1 1 156 156 VAL CA C 13 61.141 0.200 . 1 . . . . 158 VAL CA . 19417 1 1631 . 1 1 156 156 VAL CB C 13 35.293 0.200 . 1 . . . . 158 VAL CB . 19417 1 1632 . 1 1 156 156 VAL CG1 C 13 20.335 0.200 . 1 . . . . 158 VAL CG1 . 19417 1 1633 . 1 1 156 156 VAL CG2 C 13 22.458 0.200 . 1 . . . . 158 VAL CG2 . 19417 1 1634 . 1 1 156 156 VAL N N 15 126.980 0.200 . 1 . . . . 158 VAL N . 19417 1 1635 . 1 1 157 157 ASN H H 1 10.680 0.020 . 1 . . . . 159 ASN H . 19417 1 1636 . 1 1 157 157 ASN HA H 1 4.912 0.020 . 1 . . . . 159 ASN HA . 19417 1 1637 . 1 1 157 157 ASN HB2 H 1 2.287 0.020 . 2 . . . . 159 ASN HB2 . 19417 1 1638 . 1 1 157 157 ASN HB3 H 1 3.580 0.020 . 2 . . . . 159 ASN HB3 . 19417 1 1639 . 1 1 157 157 ASN HD21 H 1 9.274 0.020 . 2 . . . . 159 ASN HD21 . 19417 1 1640 . 1 1 157 157 ASN HD22 H 1 6.881 0.020 . 2 . . . . 159 ASN HD22 . 19417 1 1641 . 1 1 157 157 ASN CA C 13 52.015 0.200 . 1 . . . . 159 ASN CA . 19417 1 1642 . 1 1 157 157 ASN CB C 13 39.966 0.200 . 1 . . . . 159 ASN CB . 19417 1 1643 . 1 1 157 157 ASN N N 15 134.081 0.200 . 1 . . . . 159 ASN N . 19417 1 1644 . 1 1 157 157 ASN ND2 N 15 110.104 0.200 . 1 . . . . 159 ASN ND2 . 19417 1 1645 . 1 1 158 158 GLY H H 1 9.902 0.020 . 1 . . . . 160 GLY H . 19417 1 1646 . 1 1 158 158 GLY HA2 H 1 4.626 0.020 . 2 . . . . 160 GLY HA2 . 19417 1 1647 . 1 1 158 158 GLY HA3 H 1 3.505 0.020 . 2 . . . . 160 GLY HA3 . 19417 1 1648 . 1 1 158 158 GLY CA C 13 46.531 0.200 . 1 . . . . 160 GLY CA . 19417 1 1649 . 1 1 158 158 GLY N N 15 107.369 0.200 . 1 . . . . 160 GLY N . 19417 1 1650 . 1 1 159 159 LYS H H 1 7.941 0.020 . 1 . . . . 161 LYS H . 19417 1 1651 . 1 1 159 159 LYS HA H 1 4.522 0.020 . 1 . . . . 161 LYS HA . 19417 1 1652 . 1 1 159 159 LYS HB2 H 1 1.002 0.020 . 2 . . . . 161 LYS HB . 19417 1 1653 . 1 1 159 159 LYS HB3 H 1 1.002 0.020 . 2 . . . . 161 LYS HB . 19417 1 1654 . 1 1 159 159 LYS HG2 H 1 0.857 0.020 . 2 . . . . 161 LYS HG2 . 19417 1 1655 . 1 1 159 159 LYS HG3 H 1 1.170 0.020 . 2 . . . . 161 LYS HG3 . 19417 1 1656 . 1 1 159 159 LYS HD2 H 1 1.498 0.020 . 2 . . . . 161 LYS HD . 19417 1 1657 . 1 1 159 159 LYS HD3 H 1 1.498 0.020 . 2 . . . . 161 LYS HD . 19417 1 1658 . 1 1 159 159 LYS CA C 13 56.998 0.200 . 1 . . . . 161 LYS CA . 19417 1 1659 . 1 1 159 159 LYS CB C 13 36.991 0.200 . 1 . . . . 161 LYS CB . 19417 1 1660 . 1 1 159 159 LYS CG C 13 24.723 0.200 . 1 . . . . 161 LYS CG . 19417 1 1661 . 1 1 159 159 LYS CD C 13 29.742 0.200 . 1 . . . . 161 LYS CD . 19417 1 1662 . 1 1 159 159 LYS N N 15 114.340 0.200 . 1 . . . . 161 LYS N . 19417 1 1663 . 1 1 160 160 TYR H H 1 7.618 0.020 . 1 . . . . 162 TYR H . 19417 1 1664 . 1 1 160 160 TYR HA H 1 6.119 0.020 . 1 . . . . 162 TYR HA . 19417 1 1665 . 1 1 160 160 TYR HB2 H 1 3.061 0.020 . 2 . . . . 162 TYR HB2 . 19417 1 1666 . 1 1 160 160 TYR HB3 H 1 2.878 0.020 . 2 . . . . 162 TYR HB3 . 19417 1 1667 . 1 1 160 160 TYR HD1 H 1 7.049 0.020 . 3 . . . . 162 TYR HD . 19417 1 1668 . 1 1 160 160 TYR HD2 H 1 7.049 0.020 . 3 . . . . 162 TYR HD . 19417 1 1669 . 1 1 160 160 TYR HE1 H 1 6.887 0.020 . 3 . . . . 162 TYR HE . 19417 1 1670 . 1 1 160 160 TYR HE2 H 1 6.887 0.020 . 3 . . . . 162 TYR HE . 19417 1 1671 . 1 1 160 160 TYR CA C 13 54.219 0.200 . 1 . . . . 162 TYR CA . 19417 1 1672 . 1 1 160 160 TYR CB C 13 42.801 0.200 . 1 . . . . 162 TYR CB . 19417 1 1673 . 1 1 160 160 TYR CD1 C 13 133.919 0.200 . 3 . . . . 162 TYR CD1 . 19417 1 1674 . 1 1 160 160 TYR CE1 C 13 117.245 0.200 . 3 . . . . 162 TYR CE1 . 19417 1 1675 . 1 1 160 160 TYR N N 15 118.116 0.200 . 1 . . . . 162 TYR N . 19417 1 1676 . 1 1 161 161 ARG H H 1 9.592 0.020 . 1 . . . . 163 ARG H . 19417 1 1677 . 1 1 161 161 ARG HA H 1 5.664 0.020 . 1 . . . . 163 ARG HA . 19417 1 1678 . 1 1 161 161 ARG HB2 H 1 1.870 0.020 . 2 . . . . 163 ARG HB2 . 19417 1 1679 . 1 1 161 161 ARG HB3 H 1 1.477 0.020 . 2 . . . . 163 ARG HB3 . 19417 1 1680 . 1 1 161 161 ARG HG2 H 1 1.634 0.020 . 2 . . . . 163 ARG HG2 . 19417 1 1681 . 1 1 161 161 ARG HG3 H 1 1.534 0.020 . 2 . . . . 163 ARG HG3 . 19417 1 1682 . 1 1 161 161 ARG HD2 H 1 3.192 0.020 . 2 . . . . 163 ARG HD2 . 19417 1 1683 . 1 1 161 161 ARG HD3 H 1 3.371 0.020 . 2 . . . . 163 ARG HD3 . 19417 1 1684 . 1 1 161 161 ARG CA C 13 54.209 0.200 . 1 . . . . 163 ARG CA . 19417 1 1685 . 1 1 161 161 ARG CB C 13 34.022 0.200 . 1 . . . . 163 ARG CB . 19417 1 1686 . 1 1 161 161 ARG CG C 13 28.399 0.200 . 1 . . . . 163 ARG CG . 19417 1 1687 . 1 1 161 161 ARG CD C 13 42.760 0.200 . 1 . . . . 163 ARG CD . 19417 1 1688 . 1 1 161 161 ARG N N 15 124.544 0.200 . 1 . . . . 163 ARG N . 19417 1 1689 . 1 1 162 162 PHE H H 1 8.788 0.020 . 1 . . . . 164 PHE H . 19417 1 1690 . 1 1 162 162 PHE HA H 1 5.133 0.020 . 1 . . . . 164 PHE HA . 19417 1 1691 . 1 1 162 162 PHE HB2 H 1 3.690 0.020 . 2 . . . . 164 PHE HB2 . 19417 1 1692 . 1 1 162 162 PHE HB3 H 1 3.032 0.020 . 2 . . . . 164 PHE HB3 . 19417 1 1693 . 1 1 162 162 PHE HD1 H 1 6.760 0.020 . 3 . . . . 164 PHE HD . 19417 1 1694 . 1 1 162 162 PHE HD2 H 1 6.760 0.020 . 3 . . . . 164 PHE HD . 19417 1 1695 . 1 1 162 162 PHE HE1 H 1 7.176 0.020 . 3 . . . . 164 PHE HE . 19417 1 1696 . 1 1 162 162 PHE HE2 H 1 7.176 0.020 . 3 . . . . 164 PHE HE . 19417 1 1697 . 1 1 162 162 PHE CA C 13 55.709 0.200 . 1 . . . . 164 PHE CA . 19417 1 1698 . 1 1 162 162 PHE CB C 13 40.507 0.200 . 1 . . . . 164 PHE CB . 19417 1 1699 . 1 1 162 162 PHE CD1 C 13 132.325 0.200 . 3 . . . . 164 PHE CD1 . 19417 1 1700 . 1 1 162 162 PHE CE1 C 13 131.088 0.200 . 3 . . . . 164 PHE CE1 . 19417 1 1701 . 1 1 162 162 PHE N N 15 123.497 0.200 . 1 . . . . 164 PHE N . 19417 1 1702 . 1 1 163 163 ASP H H 1 8.779 0.020 . 1 . . . . 165 ASP H . 19417 1 1703 . 1 1 163 163 ASP HA H 1 4.707 0.020 . 1 . . . . 165 ASP HA . 19417 1 1704 . 1 1 163 163 ASP HB2 H 1 2.820 0.020 . 2 . . . . 165 ASP HB2 . 19417 1 1705 . 1 1 163 163 ASP HB3 H 1 3.424 0.020 . 2 . . . . 165 ASP HB3 . 19417 1 1706 . 1 1 163 163 ASP CA C 13 51.893 0.200 . 1 . . . . 165 ASP CA . 19417 1 1707 . 1 1 163 163 ASP CB C 13 42.884 0.200 . 1 . . . . 165 ASP CB . 19417 1 1708 . 1 1 163 163 ASP N N 15 118.817 0.200 . 1 . . . . 165 ASP N . 19417 1 1709 . 1 1 164 164 ILE H H 1 7.615 0.020 . 1 . . . . 166 ILE H . 19417 1 1710 . 1 1 164 164 ILE HA H 1 4.062 0.020 . 1 . . . . 166 ILE HA . 19417 1 1711 . 1 1 164 164 ILE HB H 1 1.506 0.020 . 1 . . . . 166 ILE HB . 19417 1 1712 . 1 1 164 164 ILE HG12 H 1 0.604 0.020 . 2 . . . . 166 ILE HG12 . 19417 1 1713 . 1 1 164 164 ILE HG13 H 1 1.086 0.020 . 2 . . . . 166 ILE HG13 . 19417 1 1714 . 1 1 164 164 ILE HG21 H 1 0.478 0.020 . 1 . . . . 166 ILE HG2 . 19417 1 1715 . 1 1 164 164 ILE HG22 H 1 0.478 0.020 . 1 . . . . 166 ILE HG2 . 19417 1 1716 . 1 1 164 164 ILE HG23 H 1 0.478 0.020 . 1 . . . . 166 ILE HG2 . 19417 1 1717 . 1 1 164 164 ILE HD11 H 1 0.075 0.020 . 1 . . . . 166 ILE HD1 . 19417 1 1718 . 1 1 164 164 ILE HD12 H 1 0.075 0.020 . 1 . . . . 166 ILE HD1 . 19417 1 1719 . 1 1 164 164 ILE HD13 H 1 0.075 0.020 . 1 . . . . 166 ILE HD1 . 19417 1 1720 . 1 1 164 164 ILE CA C 13 63.215 0.200 . 1 . . . . 166 ILE CA . 19417 1 1721 . 1 1 164 164 ILE CB C 13 36.948 0.200 . 1 . . . . 166 ILE CB . 19417 1 1722 . 1 1 164 164 ILE CG1 C 13 28.386 0.200 . 1 . . . . 166 ILE CG1 . 19417 1 1723 . 1 1 164 164 ILE CG2 C 13 16.641 0.200 . 1 . . . . 166 ILE CG2 . 19417 1 1724 . 1 1 164 164 ILE CD1 C 13 12.171 0.200 . 1 . . . . 166 ILE CD1 . 19417 1 1725 . 1 1 164 164 ILE N N 15 116.092 0.200 . 1 . . . . 166 ILE N . 19417 1 1726 . 1 1 165 165 GLY H H 1 8.074 0.020 . 1 . . . . 167 GLY H . 19417 1 1727 . 1 1 165 165 GLY HA2 H 1 3.813 0.020 . 2 . . . . 167 GLY HA2 . 19417 1 1728 . 1 1 165 165 GLY HA3 H 1 3.843 0.020 . 2 . . . . 167 GLY HA3 . 19417 1 1729 . 1 1 165 165 GLY CA C 13 46.440 0.200 . 1 . . . . 167 GLY CA . 19417 1 1730 . 1 1 165 165 GLY N N 15 108.023 0.200 . 1 . . . . 167 GLY N . 19417 1 1731 . 1 1 166 166 SER H H 1 8.971 0.020 . 1 . . . . 168 SER H . 19417 1 1732 . 1 1 166 166 SER HA H 1 4.180 0.020 . 1 . . . . 168 SER HA . 19417 1 1733 . 1 1 166 166 SER HB2 H 1 4.232 0.020 . 2 . . . . 168 SER HB2 . 19417 1 1734 . 1 1 166 166 SER HB3 H 1 3.876 0.020 . 2 . . . . 168 SER HB3 . 19417 1 1735 . 1 1 166 166 SER CA C 13 61.082 0.200 . 1 . . . . 168 SER CA . 19417 1 1736 . 1 1 166 166 SER CB C 13 61.668 0.200 . 1 . . . . 168 SER CB . 19417 1 1737 . 1 1 166 166 SER N N 15 121.929 0.200 . 1 . . . . 168 SER N . 19417 1 1738 . 1 1 167 167 ALA H H 1 8.289 0.020 . 1 . . . . 169 ALA H . 19417 1 1739 . 1 1 167 167 ALA HA H 1 4.258 0.020 . 1 . . . . 169 ALA HA . 19417 1 1740 . 1 1 167 167 ALA HB1 H 1 1.498 0.020 . 1 . . . . 169 ALA HB . 19417 1 1741 . 1 1 167 167 ALA HB2 H 1 1.498 0.020 . 1 . . . . 169 ALA HB . 19417 1 1742 . 1 1 167 167 ALA HB3 H 1 1.498 0.020 . 1 . . . . 169 ALA HB . 19417 1 1743 . 1 1 167 167 ALA CA C 13 53.399 0.200 . 1 . . . . 169 ALA CA . 19417 1 1744 . 1 1 167 167 ALA CB C 13 20.274 0.200 . 1 . . . . 169 ALA CB . 19417 1 1745 . 1 1 167 167 ALA N N 15 124.640 0.200 . 1 . . . . 169 ALA N . 19417 1 1746 . 1 1 168 168 GLY H H 1 7.631 0.020 . 1 . . . . 170 GLY H . 19417 1 1747 . 1 1 168 168 GLY HA2 H 1 4.420 0.020 . 2 . . . . 170 GLY HA2 . 19417 1 1748 . 1 1 168 168 GLY HA3 H 1 3.735 0.020 . 2 . . . . 170 GLY HA3 . 19417 1 1749 . 1 1 168 168 GLY CA C 13 44.890 0.200 . 1 . . . . 170 GLY CA . 19417 1 1750 . 1 1 168 168 GLY N N 15 102.569 0.200 . 1 . . . . 170 GLY N . 19417 1 1751 . 1 1 169 169 GLY H H 1 7.643 0.020 . 1 . . . . 171 GLY H . 19417 1 1752 . 1 1 169 169 GLY HA2 H 1 3.687 0.020 . 2 . . . . 171 GLY HA2 . 19417 1 1753 . 1 1 169 169 GLY HA3 H 1 4.245 0.020 . 2 . . . . 171 GLY HA3 . 19417 1 1754 . 1 1 169 169 GLY CA C 13 44.890 0.200 . 1 . . . . 171 GLY CA . 19417 1 1755 . 1 1 169 169 GLY N N 15 108.890 0.200 . 1 . . . . 171 GLY N . 19417 1 1756 . 1 1 170 170 PRO HA H 1 4.040 0.020 . 1 . . . . 172 PRO HA . 19417 1 1757 . 1 1 170 170 PRO HB2 H 1 2.250 0.020 . 2 . . . . 172 PRO HB2 . 19417 1 1758 . 1 1 170 170 PRO HB3 H 1 2.392 0.020 . 2 . . . . 172 PRO HB3 . 19417 1 1759 . 1 1 170 170 PRO HG2 H 1 2.030 0.020 . 2 . . . . 172 PRO HG2 . 19417 1 1760 . 1 1 170 170 PRO HG3 H 1 2.374 0.020 . 2 . . . . 172 PRO HG3 . 19417 1 1761 . 1 1 170 170 PRO HD2 H 1 3.907 0.020 . 2 . . . . 172 PRO HD2 . 19417 1 1762 . 1 1 170 170 PRO HD3 H 1 3.545 0.020 . 2 . . . . 172 PRO HD3 . 19417 1 1763 . 1 1 170 170 PRO CA C 13 66.378 0.200 . 1 . . . . 172 PRO CA . 19417 1 1764 . 1 1 170 170 PRO CB C 13 32.042 0.200 . 1 . . . . 172 PRO CB . 19417 1 1765 . 1 1 170 170 PRO CG C 13 27.510 0.200 . 1 . . . . 172 PRO CG . 19417 1 1766 . 1 1 170 170 PRO CD C 13 49.379 0.200 . 1 . . . . 172 PRO CD . 19417 1 1767 . 1 1 171 171 GLU H H 1 8.596 0.020 . 1 . . . . 173 GLU H . 19417 1 1768 . 1 1 171 171 GLU HA H 1 3.850 0.020 . 1 . . . . 173 GLU HA . 19417 1 1769 . 1 1 171 171 GLU HB2 H 1 2.032 0.020 . 2 . . . . 173 GLU HB2 . 19417 1 1770 . 1 1 171 171 GLU HB3 H 1 1.924 0.020 . 2 . . . . 173 GLU HB3 . 19417 1 1771 . 1 1 171 171 GLU HG2 H 1 2.306 0.020 . 2 . . . . 173 GLU HG . 19417 1 1772 . 1 1 171 171 GLU HG3 H 1 2.306 0.020 . 2 . . . . 173 GLU HG . 19417 1 1773 . 1 1 171 171 GLU CA C 13 60.083 0.200 . 1 . . . . 173 GLU CA . 19417 1 1774 . 1 1 171 171 GLU CB C 13 28.528 0.200 . 1 . . . . 173 GLU CB . 19417 1 1775 . 1 1 171 171 GLU CG C 13 36.726 0.200 . 1 . . . . 173 GLU CG . 19417 1 1776 . 1 1 171 171 GLU N N 15 118.614 0.200 . 1 . . . . 173 GLU N . 19417 1 1777 . 1 1 172 172 GLU H H 1 9.533 0.020 . 1 . . . . 174 GLU H . 19417 1 1778 . 1 1 172 172 GLU HA H 1 3.768 0.020 . 1 . . . . 174 GLU HA . 19417 1 1779 . 1 1 172 172 GLU HB2 H 1 1.860 0.020 . 2 . . . . 174 GLU HB . 19417 1 1780 . 1 1 172 172 GLU HB3 H 1 1.860 0.020 . 2 . . . . 174 GLU HB . 19417 1 1781 . 1 1 172 172 GLU HG2 H 1 2.305 0.020 . 2 . . . . 174 GLU HG2 . 19417 1 1782 . 1 1 172 172 GLU HG3 H 1 2.534 0.020 . 2 . . . . 174 GLU HG3 . 19417 1 1783 . 1 1 172 172 GLU CA C 13 59.718 0.200 . 1 . . . . 174 GLU CA . 19417 1 1784 . 1 1 172 172 GLU CB C 13 28.487 0.200 . 1 . . . . 174 GLU CB . 19417 1 1785 . 1 1 172 172 GLU CG C 13 36.866 0.200 . 1 . . . . 174 GLU CG . 19417 1 1786 . 1 1 172 172 GLU N N 15 121.937 0.200 . 1 . . . . 174 GLU N . 19417 1 1787 . 1 1 173 173 THR H H 1 7.992 0.020 . 1 . . . . 175 THR H . 19417 1 1788 . 1 1 173 173 THR HA H 1 4.460 0.020 . 1 . . . . 175 THR HA . 19417 1 1789 . 1 1 173 173 THR HB H 1 3.538 0.020 . 1 . . . . 175 THR HB . 19417 1 1790 . 1 1 173 173 THR HG21 H 1 1.074 0.020 . 1 . . . . 175 THR HG2 . 19417 1 1791 . 1 1 173 173 THR HG22 H 1 1.074 0.020 . 1 . . . . 175 THR HG2 . 19417 1 1792 . 1 1 173 173 THR HG23 H 1 1.074 0.020 . 1 . . . . 175 THR HG2 . 19417 1 1793 . 1 1 173 173 THR CA C 13 67.166 0.200 . 1 . . . . 175 THR CA . 19417 1 1794 . 1 1 173 173 THR CB C 13 67.424 0.200 . 1 . . . . 175 THR CB . 19417 1 1795 . 1 1 173 173 THR CG2 C 13 21.173 0.200 . 1 . . . . 175 THR CG2 . 19417 1 1796 . 1 1 173 173 THR N N 15 118.402 0.200 . 1 . . . . 175 THR N . 19417 1 1797 . 1 1 174 174 LEU H H 1 6.914 0.020 . 1 . . . . 176 LEU H . 19417 1 1798 . 1 1 174 174 LEU HA H 1 3.529 0.020 . 1 . . . . 176 LEU HA . 19417 1 1799 . 1 1 174 174 LEU HB2 H 1 0.330 0.020 . 2 . . . . 176 LEU HB2 . 19417 1 1800 . 1 1 174 174 LEU HB3 H 1 1.546 0.020 . 2 . . . . 176 LEU HB3 . 19417 1 1801 . 1 1 174 174 LEU HG H 1 1.426 0.020 . 1 . . . . 176 LEU HG . 19417 1 1802 . 1 1 174 174 LEU HD11 H 1 0.346 0.020 . 1 . . . . 176 LEU HD1 . 19417 1 1803 . 1 1 174 174 LEU HD12 H 1 0.346 0.020 . 1 . . . . 176 LEU HD1 . 19417 1 1804 . 1 1 174 174 LEU HD13 H 1 0.346 0.020 . 1 . . . . 176 LEU HD1 . 19417 1 1805 . 1 1 174 174 LEU HD21 H 1 -0.478 0.020 . 1 . . . . 176 LEU HD2 . 19417 1 1806 . 1 1 174 174 LEU HD22 H 1 -0.478 0.020 . 1 . . . . 176 LEU HD2 . 19417 1 1807 . 1 1 174 174 LEU HD23 H 1 -0.478 0.020 . 1 . . . . 176 LEU HD2 . 19417 1 1808 . 1 1 174 174 LEU CA C 13 56.348 0.200 . 1 . . . . 176 LEU CA . 19417 1 1809 . 1 1 174 174 LEU CB C 13 38.930 0.200 . 1 . . . . 176 LEU CB . 19417 1 1810 . 1 1 174 174 LEU CG C 13 25.348 0.200 . 1 . . . . 176 LEU CG . 19417 1 1811 . 1 1 174 174 LEU CD1 C 13 25.738 0.200 . 1 . . . . 176 LEU CD1 . 19417 1 1812 . 1 1 174 174 LEU CD2 C 13 20.001 0.200 . 1 . . . . 176 LEU CD2 . 19417 1 1813 . 1 1 174 174 LEU N N 15 119.775 0.200 . 1 . . . . 176 LEU N . 19417 1 1814 . 1 1 175 175 LYS H H 1 7.513 0.020 . 1 . . . . 177 LYS H . 19417 1 1815 . 1 1 175 175 LYS HA H 1 3.887 0.020 . 1 . . . . 177 LYS HA . 19417 1 1816 . 1 1 175 175 LYS HB2 H 1 1.813 0.020 . 2 . . . . 177 LYS HB2 . 19417 1 1817 . 1 1 175 175 LYS HB3 H 1 1.897 0.020 . 2 . . . . 177 LYS HB3 . 19417 1 1818 . 1 1 175 175 LYS HG2 H 1 1.505 0.020 . 2 . . . . 177 LYS HG2 . 19417 1 1819 . 1 1 175 175 LYS HG3 H 1 1.355 0.020 . 2 . . . . 177 LYS HG3 . 19417 1 1820 . 1 1 175 175 LYS CA C 13 59.768 0.200 . 1 . . . . 177 LYS CA . 19417 1 1821 . 1 1 175 175 LYS CB C 13 32.272 0.200 . 1 . . . . 177 LYS CB . 19417 1 1822 . 1 1 175 175 LYS CG C 13 24.797 0.200 . 1 . . . . 177 LYS CG . 19417 1 1823 . 1 1 175 175 LYS N N 15 119.780 0.200 . 1 . . . . 177 LYS N . 19417 1 1824 . 1 1 176 176 LEU H H 1 7.856 0.020 . 1 . . . . 178 LEU H . 19417 1 1825 . 1 1 176 176 LEU HA H 1 3.500 0.020 . 1 . . . . 178 LEU HA . 19417 1 1826 . 1 1 176 176 LEU HB2 H 1 1.520 0.020 . 2 . . . . 178 LEU HB2 . 19417 1 1827 . 1 1 176 176 LEU HB3 H 1 0.750 0.020 . 2 . . . . 178 LEU HB3 . 19417 1 1828 . 1 1 176 176 LEU HG H 1 0.275 0.020 . 1 . . . . 178 LEU HG . 19417 1 1829 . 1 1 176 176 LEU HD11 H 1 -0.300 0.020 . 1 . . . . 178 LEU HD1 . 19417 1 1830 . 1 1 176 176 LEU HD12 H 1 -0.300 0.020 . 1 . . . . 178 LEU HD1 . 19417 1 1831 . 1 1 176 176 LEU HD13 H 1 -0.300 0.020 . 1 . . . . 178 LEU HD1 . 19417 1 1832 . 1 1 176 176 LEU HD21 H 1 -0.093 0.020 . 1 . . . . 178 LEU HD2 . 19417 1 1833 . 1 1 176 176 LEU HD22 H 1 -0.093 0.020 . 1 . . . . 178 LEU HD2 . 19417 1 1834 . 1 1 176 176 LEU HD23 H 1 -0.093 0.020 . 1 . . . . 178 LEU HD2 . 19417 1 1835 . 1 1 176 176 LEU CA C 13 56.725 0.200 . 1 . . . . 178 LEU CA . 19417 1 1836 . 1 1 176 176 LEU CB C 13 39.895 0.200 . 1 . . . . 178 LEU CB . 19417 1 1837 . 1 1 176 176 LEU CG C 13 28.302 0.200 . 1 . . . . 178 LEU CG . 19417 1 1838 . 1 1 176 176 LEU CD1 C 13 20.914 0.200 . 1 . . . . 178 LEU CD1 . 19417 1 1839 . 1 1 176 176 LEU CD2 C 13 25.820 0.200 . 1 . . . . 178 LEU CD2 . 19417 1 1840 . 1 1 176 176 LEU N N 15 123.450 0.200 . 1 . . . . 178 LEU N . 19417 1 1841 . 1 1 177 177 ALA H H 1 8.032 0.020 . 1 . . . . 179 ALA H . 19417 1 1842 . 1 1 177 177 ALA HA H 1 3.799 0.020 . 1 . . . . 179 ALA HA . 19417 1 1843 . 1 1 177 177 ALA HB1 H 1 1.586 0.020 . 1 . . . . 179 ALA HB . 19417 1 1844 . 1 1 177 177 ALA HB2 H 1 1.586 0.020 . 1 . . . . 179 ALA HB . 19417 1 1845 . 1 1 177 177 ALA HB3 H 1 1.586 0.020 . 1 . . . . 179 ALA HB . 19417 1 1846 . 1 1 177 177 ALA CA C 13 55.908 0.200 . 1 . . . . 179 ALA CA . 19417 1 1847 . 1 1 177 177 ALA CB C 13 17.588 0.200 . 1 . . . . 179 ALA CB . 19417 1 1848 . 1 1 177 177 ALA N N 15 122.047 0.200 . 1 . . . . 179 ALA N . 19417 1 1849 . 1 1 178 178 ASP H H 1 8.708 0.020 . 1 . . . . 180 ASP H . 19417 1 1850 . 1 1 178 178 ASP HA H 1 4.547 0.020 . 1 . . . . 180 ASP HA . 19417 1 1851 . 1 1 178 178 ASP HB2 H 1 2.988 0.020 . 2 . . . . 180 ASP HB2 . 19417 1 1852 . 1 1 178 178 ASP HB3 H 1 2.736 0.020 . 2 . . . . 180 ASP HB3 . 19417 1 1853 . 1 1 178 178 ASP CA C 13 57.844 0.200 . 1 . . . . 180 ASP CA . 19417 1 1854 . 1 1 178 178 ASP CB C 13 40.035 0.200 . 1 . . . . 180 ASP CB . 19417 1 1855 . 1 1 178 178 ASP N N 15 117.984 0.200 . 1 . . . . 180 ASP N . 19417 1 1856 . 1 1 179 179 TYR H H 1 7.905 0.020 . 1 . . . . 181 TYR H . 19417 1 1857 . 1 1 179 179 TYR HA H 1 4.252 0.020 . 1 . . . . 181 TYR HA . 19417 1 1858 . 1 1 179 179 TYR HB2 H 1 3.267 0.020 . 2 . . . . 181 TYR HB2 . 19417 1 1859 . 1 1 179 179 TYR HB3 H 1 3.152 0.020 . 2 . . . . 181 TYR HB3 . 19417 1 1860 . 1 1 179 179 TYR HD1 H 1 6.898 0.020 . 3 . . . . 181 TYR HD . 19417 1 1861 . 1 1 179 179 TYR HD2 H 1 6.898 0.020 . 3 . . . . 181 TYR HD . 19417 1 1862 . 1 1 179 179 TYR HE1 H 1 6.726 0.020 . 3 . . . . 181 TYR HE . 19417 1 1863 . 1 1 179 179 TYR HE2 H 1 6.726 0.020 . 3 . . . . 181 TYR HE . 19417 1 1864 . 1 1 179 179 TYR CA C 13 60.845 0.200 . 1 . . . . 181 TYR CA . 19417 1 1865 . 1 1 179 179 TYR CB C 13 38.153 0.200 . 1 . . . . 181 TYR CB . 19417 1 1866 . 1 1 179 179 TYR CD1 C 13 133.918 0.200 . 3 . . . . 181 TYR CD1 . 19417 1 1867 . 1 1 179 179 TYR CE1 C 13 118.193 0.200 . 3 . . . . 181 TYR CE1 . 19417 1 1868 . 1 1 179 179 TYR N N 15 122.617 0.200 . 1 . . . . 181 TYR N . 19417 1 1869 . 1 1 180 180 LEU H H 1 8.330 0.020 . 1 . . . . 182 LEU H . 19417 1 1870 . 1 1 180 180 LEU HA H 1 3.572 0.020 . 1 . . . . 182 LEU HA . 19417 1 1871 . 1 1 180 180 LEU HB2 H 1 1.654 0.020 . 2 . . . . 182 LEU HB2 . 19417 1 1872 . 1 1 180 180 LEU HB3 H 1 0.884 0.020 . 2 . . . . 182 LEU HB3 . 19417 1 1873 . 1 1 180 180 LEU HG H 1 1.199 0.020 . 1 . . . . 182 LEU HG . 19417 1 1874 . 1 1 180 180 LEU HD11 H 1 -0.181 0.020 . 1 . . . . 182 LEU HD1 . 19417 1 1875 . 1 1 180 180 LEU HD12 H 1 -0.181 0.020 . 1 . . . . 182 LEU HD1 . 19417 1 1876 . 1 1 180 180 LEU HD13 H 1 -0.181 0.020 . 1 . . . . 182 LEU HD1 . 19417 1 1877 . 1 1 180 180 LEU HD21 H 1 -0.752 0.020 . 1 . . . . 182 LEU HD2 . 19417 1 1878 . 1 1 180 180 LEU HD22 H 1 -0.752 0.020 . 1 . . . . 182 LEU HD2 . 19417 1 1879 . 1 1 180 180 LEU HD23 H 1 -0.752 0.020 . 1 . . . . 182 LEU HD2 . 19417 1 1880 . 1 1 180 180 LEU CA C 13 56.828 0.200 . 1 . . . . 182 LEU CA . 19417 1 1881 . 1 1 180 180 LEU CB C 13 41.503 0.200 . 1 . . . . 182 LEU CB . 19417 1 1882 . 1 1 180 180 LEU CG C 13 25.780 0.200 . 1 . . . . 182 LEU CG . 19417 1 1883 . 1 1 180 180 LEU CD1 C 13 26.490 0.200 . 1 . . . . 182 LEU CD1 . 19417 1 1884 . 1 1 180 180 LEU CD2 C 13 18.629 0.200 . 1 . . . . 182 LEU CD2 . 19417 1 1885 . 1 1 180 180 LEU N N 15 122.432 0.200 . 1 . . . . 182 LEU N . 19417 1 1886 . 1 1 181 181 ILE H H 1 9.079 0.020 . 1 . . . . 183 ILE H . 19417 1 1887 . 1 1 181 181 ILE HA H 1 3.429 0.020 . 1 . . . . 183 ILE HA . 19417 1 1888 . 1 1 181 181 ILE HB H 1 2.016 0.020 . 1 . . . . 183 ILE HB . 19417 1 1889 . 1 1 181 181 ILE HG12 H 1 2.086 0.020 . 2 . . . . 183 ILE HG12 . 19417 1 1890 . 1 1 181 181 ILE HG13 H 1 0.745 0.020 . 2 . . . . 183 ILE HG13 . 19417 1 1891 . 1 1 181 181 ILE HG21 H 1 0.876 0.020 . 1 . . . . 183 ILE HG2 . 19417 1 1892 . 1 1 181 181 ILE HG22 H 1 0.876 0.020 . 1 . . . . 183 ILE HG2 . 19417 1 1893 . 1 1 181 181 ILE HG23 H 1 0.876 0.020 . 1 . . . . 183 ILE HG2 . 19417 1 1894 . 1 1 181 181 ILE HD11 H 1 1.108 0.020 . 1 . . . . 183 ILE HD1 . 19417 1 1895 . 1 1 181 181 ILE HD12 H 1 1.108 0.020 . 1 . . . . 183 ILE HD1 . 19417 1 1896 . 1 1 181 181 ILE HD13 H 1 1.108 0.020 . 1 . . . . 183 ILE HD1 . 19417 1 1897 . 1 1 181 181 ILE CA C 13 65.940 0.200 . 1 . . . . 183 ILE CA . 19417 1 1898 . 1 1 181 181 ILE CB C 13 38.482 0.200 . 1 . . . . 183 ILE CB . 19417 1 1899 . 1 1 181 181 ILE CG1 C 13 29.767 0.200 . 1 . . . . 183 ILE CG1 . 19417 1 1900 . 1 1 181 181 ILE CG2 C 13 17.781 0.200 . 1 . . . . 183 ILE CG2 . 19417 1 1901 . 1 1 181 181 ILE CD1 C 13 14.875 0.200 . 1 . . . . 183 ILE CD1 . 19417 1 1902 . 1 1 181 181 ILE N N 15 121.692 0.200 . 1 . . . . 183 ILE N . 19417 1 1903 . 1 1 182 182 GLU H H 1 7.920 0.020 . 1 . . . . 184 GLU H . 19417 1 1904 . 1 1 182 182 GLU HA H 1 4.035 0.020 . 1 . . . . 184 GLU HA . 19417 1 1905 . 1 1 182 182 GLU HB2 H 1 2.097 0.020 . 2 . . . . 184 GLU HB2 . 19417 1 1906 . 1 1 182 182 GLU HB3 H 1 1.973 0.020 . 2 . . . . 184 GLU HB3 . 19417 1 1907 . 1 1 182 182 GLU HG2 H 1 2.281 0.020 . 2 . . . . 184 GLU HG2 . 19417 1 1908 . 1 1 182 182 GLU HG3 H 1 2.325 0.020 . 2 . . . . 184 GLU HG3 . 19417 1 1909 . 1 1 182 182 GLU CA C 13 58.589 0.200 . 1 . . . . 184 GLU CA . 19417 1 1910 . 1 1 182 182 GLU CB C 13 28.178 0.200 . 1 . . . . 184 GLU CB . 19417 1 1911 . 1 1 182 182 GLU CG C 13 35.135 0.200 . 1 . . . . 184 GLU CG . 19417 1 1912 . 1 1 182 182 GLU N N 15 119.364 0.200 . 1 . . . . 184 GLU N . 19417 1 1913 . 1 1 183 183 LYS H H 1 7.973 0.020 . 1 . . . . 185 LYS H . 19417 1 1914 . 1 1 183 183 LYS HA H 1 3.869 0.020 . 1 . . . . 185 LYS HA . 19417 1 1915 . 1 1 183 183 LYS HB2 H 1 1.849 0.020 . 2 . . . . 185 LYS HB2 . 19417 1 1916 . 1 1 183 183 LYS HB3 H 1 1.534 0.020 . 2 . . . . 185 LYS HB3 . 19417 1 1917 . 1 1 183 183 LYS HG2 H 1 1.243 0.020 . 2 . . . . 185 LYS HG2 . 19417 1 1918 . 1 1 183 183 LYS HG3 H 1 1.282 0.020 . 2 . . . . 185 LYS HG3 . 19417 1 1919 . 1 1 183 183 LYS CA C 13 58.969 0.200 . 1 . . . . 185 LYS CA . 19417 1 1920 . 1 1 183 183 LYS CB C 13 32.298 0.200 . 1 . . . . 185 LYS CB . 19417 1 1921 . 1 1 183 183 LYS CG C 13 23.646 0.200 . 1 . . . . 185 LYS CG . 19417 1 1922 . 1 1 183 183 LYS N N 15 122.060 0.200 . 1 . . . . 185 LYS N . 19417 1 1923 . 1 1 184 184 GLU H H 1 8.053 0.020 . 1 . . . . 186 GLU H . 19417 1 1924 . 1 1 184 184 GLU HA H 1 4.076 0.020 . 1 . . . . 186 GLU HA . 19417 1 1925 . 1 1 184 184 GLU HB2 H 1 2.316 0.020 . 2 . . . . 186 GLU HB2 . 19417 1 1926 . 1 1 184 184 GLU HB3 H 1 2.177 0.020 . 2 . . . . 186 GLU HB3 . 19417 1 1927 . 1 1 184 184 GLU HG2 H 1 2.257 0.020 . 2 . . . . 186 GLU HG2 . 19417 1 1928 . 1 1 184 184 GLU HG3 H 1 2.766 0.020 . 2 . . . . 186 GLU HG3 . 19417 1 1929 . 1 1 184 184 GLU CA C 13 57.692 0.200 . 1 . . . . 186 GLU CA . 19417 1 1930 . 1 1 184 184 GLU CB C 13 30.333 0.200 . 1 . . . . 186 GLU CB . 19417 1 1931 . 1 1 184 184 GLU CG C 13 38.891 0.200 . 1 . . . . 186 GLU CG . 19417 1 1932 . 1 1 184 184 GLU N N 15 119.377 0.200 . 1 . . . . 186 GLU N . 19417 1 1933 . 1 1 185 185 ARG H H 1 8.901 0.020 . 1 . . . . 187 ARG H . 19417 1 1934 . 1 1 185 185 ARG HA H 1 3.844 0.020 . 1 . . . . 187 ARG HA . 19417 1 1935 . 1 1 185 185 ARG HB2 H 1 1.854 0.020 . 2 . . . . 187 ARG HB2 . 19417 1 1936 . 1 1 185 185 ARG HB3 H 1 1.894 0.020 . 2 . . . . 187 ARG HB3 . 19417 1 1937 . 1 1 185 185 ARG HG2 H 1 1.549 0.020 . 2 . . . . 187 ARG HG . 19417 1 1938 . 1 1 185 185 ARG HG3 H 1 1.549 0.020 . 2 . . . . 187 ARG HG . 19417 1 1939 . 1 1 185 185 ARG HD2 H 1 3.228 0.020 . 2 . . . . 187 ARG HD . 19417 1 1940 . 1 1 185 185 ARG HD3 H 1 3.228 0.020 . 2 . . . . 187 ARG HD . 19417 1 1941 . 1 1 185 185 ARG HE H 1 9.377 0.020 . 1 . . . . 187 ARG HE . 19417 1 1942 . 1 1 185 185 ARG CA C 13 59.497 0.200 . 1 . . . . 187 ARG CA . 19417 1 1943 . 1 1 185 185 ARG CB C 13 30.080 0.200 . 1 . . . . 187 ARG CB . 19417 1 1944 . 1 1 185 185 ARG CG C 13 28.444 0.200 . 1 . . . . 187 ARG CG . 19417 1 1945 . 1 1 185 185 ARG CD C 13 42.857 0.200 . 1 . . . . 187 ARG CD . 19417 1 1946 . 1 1 185 185 ARG N N 15 124.504 0.200 . 1 . . . . 187 ARG N . 19417 1 1947 . 1 1 185 185 ARG NE N 15 87.193 0.200 . 1 . . . . 187 ARG NE . 19417 1 1948 . 1 1 186 186 ALA H H 1 8.243 0.020 . 1 . . . . 188 ALA H . 19417 1 1949 . 1 1 186 186 ALA HA H 1 4.121 0.020 . 1 . . . . 188 ALA HA . 19417 1 1950 . 1 1 186 186 ALA HB1 H 1 1.476 0.020 . 1 . . . . 188 ALA HB . 19417 1 1951 . 1 1 186 186 ALA HB2 H 1 1.476 0.020 . 1 . . . . 188 ALA HB . 19417 1 1952 . 1 1 186 186 ALA HB3 H 1 1.476 0.020 . 1 . . . . 188 ALA HB . 19417 1 1953 . 1 1 186 186 ALA CA C 13 53.869 0.200 . 1 . . . . 188 ALA CA . 19417 1 1954 . 1 1 186 186 ALA CB C 13 17.835 0.200 . 1 . . . . 188 ALA CB . 19417 1 1955 . 1 1 186 186 ALA N N 15 120.930 0.200 . 1 . . . . 188 ALA N . 19417 1 1956 . 1 1 187 187 ALA H H 1 7.591 0.020 . 1 . . . . 189 ALA H . 19417 1 1957 . 1 1 187 187 ALA HA H 1 4.208 0.020 . 1 . . . . 189 ALA HA . 19417 1 1958 . 1 1 187 187 ALA HB1 H 1 1.491 0.020 . 1 . . . . 189 ALA HB . 19417 1 1959 . 1 1 187 187 ALA HB2 H 1 1.491 0.020 . 1 . . . . 189 ALA HB . 19417 1 1960 . 1 1 187 187 ALA HB3 H 1 1.491 0.020 . 1 . . . . 189 ALA HB . 19417 1 1961 . 1 1 187 187 ALA CA C 13 53.113 0.200 . 1 . . . . 189 ALA CA . 19417 1 1962 . 1 1 187 187 ALA CB C 13 18.496 0.200 . 1 . . . . 189 ALA CB . 19417 1 1963 . 1 1 187 187 ALA N N 15 120.280 0.200 . 1 . . . . 189 ALA N . 19417 1 1964 . 1 1 188 188 ALA H H 1 7.470 0.020 . 1 . . . . 190 ALA H . 19417 1 1965 . 1 1 188 188 ALA HA H 1 4.295 0.020 . 1 . . . . 190 ALA HA . 19417 1 1966 . 1 1 188 188 ALA HB1 H 1 1.466 0.020 . 1 . . . . 190 ALA HB . 19417 1 1967 . 1 1 188 188 ALA HB2 H 1 1.466 0.020 . 1 . . . . 190 ALA HB . 19417 1 1968 . 1 1 188 188 ALA HB3 H 1 1.466 0.020 . 1 . . . . 190 ALA HB . 19417 1 1969 . 1 1 188 188 ALA CA C 13 52.320 0.200 . 1 . . . . 190 ALA CA . 19417 1 1970 . 1 1 188 188 ALA CB C 13 18.601 0.200 . 1 . . . . 190 ALA CB . 19417 1 1971 . 1 1 188 188 ALA N N 15 120.288 0.200 . 1 . . . . 190 ALA N . 19417 1 1972 . 1 1 189 189 LYS H H 1 7.615 0.020 . 1 . . . . 191 LYS H . 19417 1 1973 . 1 1 189 189 LYS HA H 1 4.303 0.020 . 1 . . . . 191 LYS HA . 19417 1 1974 . 1 1 189 189 LYS HB2 H 1 1.929 0.020 . 2 . . . . 191 LYS HB2 . 19417 1 1975 . 1 1 189 189 LYS HB3 H 1 1.812 0.020 . 2 . . . . 191 LYS HB3 . 19417 1 1976 . 1 1 189 189 LYS CA C 13 56.070 0.200 . 1 . . . . 191 LYS CA . 19417 1 1977 . 1 1 189 189 LYS CB C 13 32.620 0.200 . 1 . . . . 191 LYS CB . 19417 1 1978 . 1 1 189 189 LYS N N 15 120.129 0.200 . 1 . . . . 191 LYS N . 19417 1 1979 . 1 1 190 190 LYS H H 1 7.801 0.020 . 1 . . . . 192 LYS H . 19417 1 1980 . 1 1 190 190 LYS HA H 1 4.168 0.020 . 1 . . . . 192 LYS HA . 19417 1 1981 . 1 1 190 190 LYS HB2 H 1 1.741 0.020 . 2 . . . . 192 LYS HB2 . 19417 1 1982 . 1 1 190 190 LYS HB3 H 1 1.851 0.020 . 2 . . . . 192 LYS HB3 . 19417 1 1983 . 1 1 190 190 LYS HG2 H 1 1.442 0.020 . 2 . . . . 192 LYS HG . 19417 1 1984 . 1 1 190 190 LYS HG3 H 1 1.442 0.020 . 2 . . . . 192 LYS HG . 19417 1 1985 . 1 1 190 190 LYS CA C 13 57.351 0.200 . 1 . . . . 192 LYS CA . 19417 1 1986 . 1 1 190 190 LYS CB C 13 33.473 0.200 . 1 . . . . 192 LYS CB . 19417 1 1987 . 1 1 190 190 LYS CG C 13 24.508 0.200 . 1 . . . . 192 LYS CG . 19417 1 1988 . 1 1 190 190 LYS N N 15 128.419 0.200 . 1 . . . . 192 LYS N . 19417 1 stop_ save_