data_19413 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19413 _Entry.Title ; KpDsbA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-03 _Entry.Accession_date 2013-08-03 _Entry.Last_release_date 2013-12-09 _Entry.Original_release_date 2013-12-09 _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 Fabian Kurth . . . 19413 2 Kieran Rimmer . . . 19413 3 Lakshmanane Premkumar . . . 19413 4 Biswaranjan Mohanty . . . 19413 5 Wilko Duprez . . . 19413 6 Maria Halili . A. . 19413 7 Stephen Shouldice . R. . 19413 8 Begona Heras . . . 19413 9 David Fairlie . P. . 19413 10 Martin Scanlon . J. . 19413 11 Jennifer Martin . L. . 19413 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 'not applicable' 'not applicable' . 19413 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID oxidoreductase . 19413 DsbA . 19413 'Klebsiella pneumoniae' . 19413 'thioredoxin domain' . 19413 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19413 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1242 19413 '13C chemical shifts' 596 19413 '15N chemical shifts' 185 19413 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 . . 2013-12-09 2013-08-03 original author . 19413 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19414 'PaDsbA complex form' 19413 BMRB 19417 'PaDsbA apo form' 19413 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19413 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24244651 _Citation.Full_citation . _Citation.Title 'Comparative Sequence, Structure and Redox Analyses of Klebsiella pneumoniae DsbA Show That Anti-Virulence Target DsbA Enzymes Fall into Distinct Classes' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS One' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 11 _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 e80210 _Citation.Page_last e80210 _Citation.Year 2013 _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 Fabian Kurth . . . 19413 1 2 Kieran Rimmer . . . 19413 1 3 Lakshmanane Premkumar . . . 19413 1 4 Biswaranjan Mohanty . . . 19413 1 5 Wilko Duprez . . . 19413 1 6 Maria Halili . A. . 19413 1 7 Stephen Shouldice . R. . 19413 1 8 Begona Heras . A. . 19413 1 9 David Fairlie . P. . 19413 1 10 Martin Scanlon . J. . 19413 1 11 Jennifer Martin . L. . 19413 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19413 _Assembly.ID 1 _Assembly.Name KpDsbA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 KpDsbA 1 $entity A . yes native no no . . . 19413 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 32 32 SG . 1 . 1 CYS 35 35 SG . . 30 CYS SG . . 33 CYS SG 19413 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19413 _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 ; SNAQITDGKQYITLDKPIAG EPQVLEFFSFYCPHCYQFEE VLHVSDNVRQKLPEGTKMTK YHVEFLGPLGKDLTQAWAVA IALGVEDKITAPMFEAVQKT QTVQSVADIRKVFVDAGVKG EDYDAAWNSFVVKSLVAQQE KAAADLQLQGVPAMYVNGKY QLNPQGMDTSNMDVFVAQYA DTVKQLVEKK ; _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 21164.180 _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 PDB 2MBS . "Nmr Solution Structure Of Oxidized Kpdsba" . . . . . 100.00 190 100.00 100.00 3.83e-136 . . . . 19413 1 2 no PDB 4MCU . "Crystal Structure Of Disulfide Oxidoreductase From Klebsiella Pneumoniae In Reduced State" . . . . . 100.00 190 100.00 100.00 3.83e-136 . . . . 19413 1 3 no DBJ BAH60942 . "periplasmic protein disulfide isomerase I [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 4 no DBJ BAS37964 . "thiol:disulfide interchange protein DsbA [Klebsiella pneumoniae]" . . . . . 100.00 207 99.47 99.47 4.52e-135 . . . . 19413 1 5 no EMBL CCI74364 . "dsbA [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 6 no EMBL CCM84681 . "Periplasmic thiol:disulfide interchange protein DsbA [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 7 no EMBL CCM90112 . "Periplasmic thiol:disulfide interchange protein DsbA [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 8 no EMBL CCM96339 . "Periplasmic thiol:disulfide interchange protein DsbA [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 9 no EMBL CCN32282 . "thiol:disulfide interchange protein DsbA [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 10 no GB ABR79549 . "periplasmic protein disulfide isomerase I [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 11 no GB ACI08793 . "thiol:disulfide interchange protein DsbA [Klebsiella pneumoniae 342]" . . . . . 100.00 207 99.47 99.47 4.52e-135 . . . . 19413 1 12 no GB ADC60925 . "DSBA oxidoreductase [Klebsiella variicola At-22]" . . . . . 100.00 207 99.47 99.47 4.52e-135 . . . . 19413 1 13 no GB AEK00649 . "periplasmic protein disulfide isomerase I [Klebsiella pneumoniae KCTC 2242]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 14 no GB AEW58717 . "periplasmic protein disulfide isomerase I [Klebsiella pneumoniae subsp. pneumoniae HS11286]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 15 no REF WP_004146224 . "MULTISPECIES: thiol-disulfide isomerase [Enterobacteriaceae]" . . . . . 100.00 207 98.95 98.95 2.54e-134 . . . . 19413 1 16 no REF WP_008807917 . "MULTISPECIES: thiol-disulfide isomerase [Enterobacteriaceae]" . . . . . 100.00 207 99.47 99.47 4.52e-135 . . . . 19413 1 17 no REF WP_009309719 . "thiol-disulfide isomerase [Klebsiella sp. 4_1_44FAA]" . . . . . 99.47 213 98.94 98.94 1.40e-133 . . . . 19413 1 18 no REF WP_009484253 . "thiol:disulfide interchange protein DsbA, partial [Klebsiella sp. MS 92-3]" . . . . . 91.58 191 98.85 98.85 7.24e-123 . . . . 19413 1 19 no REF WP_016531304 . "periplasmic protein disulfide isomerase I [Klebsiella pneumoniae]" . . . . . 100.00 207 98.42 98.95 1.25e-133 . . . . 19413 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 -1 SER . 19413 1 2 0 ASN . 19413 1 3 1 ALA . 19413 1 4 2 GLN . 19413 1 5 3 ILE . 19413 1 6 4 THR . 19413 1 7 5 ASP . 19413 1 8 6 GLY . 19413 1 9 7 LYS . 19413 1 10 8 GLN . 19413 1 11 9 TYR . 19413 1 12 10 ILE . 19413 1 13 11 THR . 19413 1 14 12 LEU . 19413 1 15 13 ASP . 19413 1 16 14 LYS . 19413 1 17 15 PRO . 19413 1 18 16 ILE . 19413 1 19 17 ALA . 19413 1 20 18 GLY . 19413 1 21 19 GLU . 19413 1 22 20 PRO . 19413 1 23 21 GLN . 19413 1 24 22 VAL . 19413 1 25 23 LEU . 19413 1 26 24 GLU . 19413 1 27 25 PHE . 19413 1 28 26 PHE . 19413 1 29 27 SER . 19413 1 30 28 PHE . 19413 1 31 29 TYR . 19413 1 32 30 CYS . 19413 1 33 31 PRO . 19413 1 34 32 HIS . 19413 1 35 33 CYS . 19413 1 36 34 TYR . 19413 1 37 35 GLN . 19413 1 38 36 PHE . 19413 1 39 37 GLU . 19413 1 40 38 GLU . 19413 1 41 39 VAL . 19413 1 42 40 LEU . 19413 1 43 41 HIS . 19413 1 44 42 VAL . 19413 1 45 43 SER . 19413 1 46 44 ASP . 19413 1 47 45 ASN . 19413 1 48 46 VAL . 19413 1 49 47 ARG . 19413 1 50 48 GLN . 19413 1 51 49 LYS . 19413 1 52 50 LEU . 19413 1 53 51 PRO . 19413 1 54 52 GLU . 19413 1 55 53 GLY . 19413 1 56 54 THR . 19413 1 57 55 LYS . 19413 1 58 56 MET . 19413 1 59 57 THR . 19413 1 60 58 LYS . 19413 1 61 59 TYR . 19413 1 62 60 HIS . 19413 1 63 61 VAL . 19413 1 64 62 GLU . 19413 1 65 63 PHE . 19413 1 66 64 LEU . 19413 1 67 65 GLY . 19413 1 68 66 PRO . 19413 1 69 67 LEU . 19413 1 70 68 GLY . 19413 1 71 69 LYS . 19413 1 72 70 ASP . 19413 1 73 71 LEU . 19413 1 74 72 THR . 19413 1 75 73 GLN . 19413 1 76 74 ALA . 19413 1 77 75 TRP . 19413 1 78 76 ALA . 19413 1 79 77 VAL . 19413 1 80 78 ALA . 19413 1 81 79 ILE . 19413 1 82 80 ALA . 19413 1 83 81 LEU . 19413 1 84 82 GLY . 19413 1 85 83 VAL . 19413 1 86 84 GLU . 19413 1 87 85 ASP . 19413 1 88 86 LYS . 19413 1 89 87 ILE . 19413 1 90 88 THR . 19413 1 91 89 ALA . 19413 1 92 90 PRO . 19413 1 93 91 MET . 19413 1 94 92 PHE . 19413 1 95 93 GLU . 19413 1 96 94 ALA . 19413 1 97 95 VAL . 19413 1 98 96 GLN . 19413 1 99 97 LYS . 19413 1 100 98 THR . 19413 1 101 99 GLN . 19413 1 102 100 THR . 19413 1 103 101 VAL . 19413 1 104 102 GLN . 19413 1 105 103 SER . 19413 1 106 104 VAL . 19413 1 107 105 ALA . 19413 1 108 106 ASP . 19413 1 109 107 ILE . 19413 1 110 108 ARG . 19413 1 111 109 LYS . 19413 1 112 110 VAL . 19413 1 113 111 PHE . 19413 1 114 112 VAL . 19413 1 115 113 ASP . 19413 1 116 114 ALA . 19413 1 117 115 GLY . 19413 1 118 116 VAL . 19413 1 119 117 LYS . 19413 1 120 118 GLY . 19413 1 121 119 GLU . 19413 1 122 120 ASP . 19413 1 123 121 TYR . 19413 1 124 122 ASP . 19413 1 125 123 ALA . 19413 1 126 124 ALA . 19413 1 127 125 TRP . 19413 1 128 126 ASN . 19413 1 129 127 SER . 19413 1 130 128 PHE . 19413 1 131 129 VAL . 19413 1 132 130 VAL . 19413 1 133 131 LYS . 19413 1 134 132 SER . 19413 1 135 133 LEU . 19413 1 136 134 VAL . 19413 1 137 135 ALA . 19413 1 138 136 GLN . 19413 1 139 137 GLN . 19413 1 140 138 GLU . 19413 1 141 139 LYS . 19413 1 142 140 ALA . 19413 1 143 141 ALA . 19413 1 144 142 ALA . 19413 1 145 143 ASP . 19413 1 146 144 LEU . 19413 1 147 145 GLN . 19413 1 148 146 LEU . 19413 1 149 147 GLN . 19413 1 150 148 GLY . 19413 1 151 149 VAL . 19413 1 152 150 PRO . 19413 1 153 151 ALA . 19413 1 154 152 MET . 19413 1 155 153 TYR . 19413 1 156 154 VAL . 19413 1 157 155 ASN . 19413 1 158 156 GLY . 19413 1 159 157 LYS . 19413 1 160 158 TYR . 19413 1 161 159 GLN . 19413 1 162 160 LEU . 19413 1 163 161 ASN . 19413 1 164 162 PRO . 19413 1 165 163 GLN . 19413 1 166 164 GLY . 19413 1 167 165 MET . 19413 1 168 166 ASP . 19413 1 169 167 THR . 19413 1 170 168 SER . 19413 1 171 169 ASN . 19413 1 172 170 MET . 19413 1 173 171 ASP . 19413 1 174 172 VAL . 19413 1 175 173 PHE . 19413 1 176 174 VAL . 19413 1 177 175 ALA . 19413 1 178 176 GLN . 19413 1 179 177 TYR . 19413 1 180 178 ALA . 19413 1 181 179 ASP . 19413 1 182 180 THR . 19413 1 183 181 VAL . 19413 1 184 182 LYS . 19413 1 185 183 GLN . 19413 1 186 184 LEU . 19413 1 187 185 VAL . 19413 1 188 186 GLU . 19413 1 189 187 LYS . 19413 1 190 188 LYS . 19413 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 . SER 1 1 19413 1 . ASN 2 2 19413 1 . ALA 3 3 19413 1 . GLN 4 4 19413 1 . ILE 5 5 19413 1 . THR 6 6 19413 1 . ASP 7 7 19413 1 . GLY 8 8 19413 1 . LYS 9 9 19413 1 . GLN 10 10 19413 1 . TYR 11 11 19413 1 . ILE 12 12 19413 1 . THR 13 13 19413 1 . LEU 14 14 19413 1 . ASP 15 15 19413 1 . LYS 16 16 19413 1 . PRO 17 17 19413 1 . ILE 18 18 19413 1 . ALA 19 19 19413 1 . GLY 20 20 19413 1 . GLU 21 21 19413 1 . PRO 22 22 19413 1 . GLN 23 23 19413 1 . VAL 24 24 19413 1 . LEU 25 25 19413 1 . GLU 26 26 19413 1 . PHE 27 27 19413 1 . PHE 28 28 19413 1 . SER 29 29 19413 1 . PHE 30 30 19413 1 . TYR 31 31 19413 1 . CYS 32 32 19413 1 . PRO 33 33 19413 1 . HIS 34 34 19413 1 . CYS 35 35 19413 1 . TYR 36 36 19413 1 . GLN 37 37 19413 1 . PHE 38 38 19413 1 . GLU 39 39 19413 1 . GLU 40 40 19413 1 . VAL 41 41 19413 1 . LEU 42 42 19413 1 . HIS 43 43 19413 1 . VAL 44 44 19413 1 . SER 45 45 19413 1 . ASP 46 46 19413 1 . ASN 47 47 19413 1 . VAL 48 48 19413 1 . ARG 49 49 19413 1 . GLN 50 50 19413 1 . LYS 51 51 19413 1 . LEU 52 52 19413 1 . PRO 53 53 19413 1 . GLU 54 54 19413 1 . GLY 55 55 19413 1 . THR 56 56 19413 1 . LYS 57 57 19413 1 . MET 58 58 19413 1 . THR 59 59 19413 1 . LYS 60 60 19413 1 . TYR 61 61 19413 1 . HIS 62 62 19413 1 . VAL 63 63 19413 1 . GLU 64 64 19413 1 . PHE 65 65 19413 1 . LEU 66 66 19413 1 . GLY 67 67 19413 1 . PRO 68 68 19413 1 . LEU 69 69 19413 1 . GLY 70 70 19413 1 . LYS 71 71 19413 1 . ASP 72 72 19413 1 . LEU 73 73 19413 1 . THR 74 74 19413 1 . GLN 75 75 19413 1 . ALA 76 76 19413 1 . TRP 77 77 19413 1 . ALA 78 78 19413 1 . VAL 79 79 19413 1 . ALA 80 80 19413 1 . ILE 81 81 19413 1 . ALA 82 82 19413 1 . LEU 83 83 19413 1 . GLY 84 84 19413 1 . VAL 85 85 19413 1 . GLU 86 86 19413 1 . ASP 87 87 19413 1 . LYS 88 88 19413 1 . ILE 89 89 19413 1 . THR 90 90 19413 1 . ALA 91 91 19413 1 . PRO 92 92 19413 1 . MET 93 93 19413 1 . PHE 94 94 19413 1 . GLU 95 95 19413 1 . ALA 96 96 19413 1 . VAL 97 97 19413 1 . GLN 98 98 19413 1 . LYS 99 99 19413 1 . THR 100 100 19413 1 . GLN 101 101 19413 1 . THR 102 102 19413 1 . VAL 103 103 19413 1 . GLN 104 104 19413 1 . SER 105 105 19413 1 . VAL 106 106 19413 1 . ALA 107 107 19413 1 . ASP 108 108 19413 1 . ILE 109 109 19413 1 . ARG 110 110 19413 1 . LYS 111 111 19413 1 . VAL 112 112 19413 1 . PHE 113 113 19413 1 . VAL 114 114 19413 1 . ASP 115 115 19413 1 . ALA 116 116 19413 1 . GLY 117 117 19413 1 . VAL 118 118 19413 1 . LYS 119 119 19413 1 . GLY 120 120 19413 1 . GLU 121 121 19413 1 . ASP 122 122 19413 1 . TYR 123 123 19413 1 . ASP 124 124 19413 1 . ALA 125 125 19413 1 . ALA 126 126 19413 1 . TRP 127 127 19413 1 . ASN 128 128 19413 1 . SER 129 129 19413 1 . PHE 130 130 19413 1 . VAL 131 131 19413 1 . VAL 132 132 19413 1 . LYS 133 133 19413 1 . SER 134 134 19413 1 . LEU 135 135 19413 1 . VAL 136 136 19413 1 . ALA 137 137 19413 1 . GLN 138 138 19413 1 . GLN 139 139 19413 1 . GLU 140 140 19413 1 . LYS 141 141 19413 1 . ALA 142 142 19413 1 . ALA 143 143 19413 1 . ALA 144 144 19413 1 . ASP 145 145 19413 1 . LEU 146 146 19413 1 . GLN 147 147 19413 1 . LEU 148 148 19413 1 . GLN 149 149 19413 1 . GLY 150 150 19413 1 . VAL 151 151 19413 1 . PRO 152 152 19413 1 . ALA 153 153 19413 1 . MET 154 154 19413 1 . TYR 155 155 19413 1 . VAL 156 156 19413 1 . ASN 157 157 19413 1 . GLY 158 158 19413 1 . LYS 159 159 19413 1 . TYR 160 160 19413 1 . GLN 161 161 19413 1 . LEU 162 162 19413 1 . ASN 163 163 19413 1 . PRO 164 164 19413 1 . GLN 165 165 19413 1 . GLY 166 166 19413 1 . MET 167 167 19413 1 . ASP 168 168 19413 1 . THR 169 169 19413 1 . SER 170 170 19413 1 . ASN 171 171 19413 1 . MET 172 172 19413 1 . ASP 173 173 19413 1 . VAL 174 174 19413 1 . PHE 175 175 19413 1 . VAL 176 176 19413 1 . ALA 177 177 19413 1 . GLN 178 178 19413 1 . TYR 179 179 19413 1 . ALA 180 180 19413 1 . ASP 181 181 19413 1 . THR 182 182 19413 1 . VAL 183 183 19413 1 . LYS 184 184 19413 1 . GLN 185 185 19413 1 . LEU 186 186 19413 1 . VAL 187 187 19413 1 . GLU 188 188 19413 1 . LYS 189 189 19413 1 . LYS 190 190 19413 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 19413 _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 . 573 organism . 'Klebsiella pneumoniae' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella pneumoniae . . . . . . . . . . . . . . . . . . . . . 19413 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 19413 _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 Rosetta-2 . . . . . . . . . . . . . . . pMCSG-KpDsbA . . . . . . 19413 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19413 _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 KpDsbA '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19413 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19413 1 3 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 19413 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19413 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19413 1 6 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 19413 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 19413 _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 temperature 303 . K 19413 1 pH 6.5 . pH 19413 1 pressure 1 . atm 19413 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19413 _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' . . 19413 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19413 1 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 19413 _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' . . 19413 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19413 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19413 _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' . . 19413 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19413 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 19413 _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 19413 _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 19413 _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 19413 _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 . . . 19413 1 2 spectrometer_2 Bruker Avance . 600 . . . 19413 1 3 spectrometer_3 Bruker Avance . 500 . . . 19413 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 19413 _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 . . . . . . . . . . . . . . . . . . . . . 19413 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19413 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 19413 _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19413 1 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 19413 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 19413 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 19413 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19413 1 3 '3D CBCA(CO)NH' . . . 19413 1 4 '3D HNCACB' . . . 19413 1 5 '3D 1H-15N NOESY' . . . 19413 1 6 '3D 1H-13C NOESY aliphatic' . . . 19413 1 7 '3D 1H-13C NOESY aromatic' . . . 19413 1 8 '2D 1H-13C HSQC aliphatic' . . . 19413 1 9 '2D 1H-13C HSQC aromatic' . . . 19413 1 10 '3D HBHA(CO)NH' . . . 19413 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 ASN HA H 1 4.771 0.020 . 1 . . . . 0 ASN HA . 19413 1 2 . 1 1 2 2 ASN HB2 H 1 2.856 0.020 . 2 . . . . 0 ASN HB2 . 19413 1 3 . 1 1 2 2 ASN HB3 H 1 2.747 0.020 . 2 . . . . 0 ASN HB3 . 19413 1 4 . 1 1 2 2 ASN CA C 13 53.288 0.200 . 1 . . . . 0 ASN CA . 19413 1 5 . 1 1 2 2 ASN CB C 13 38.921 0.200 . 1 . . . . 0 ASN CB . 19413 1 6 . 1 1 3 3 ALA H H 1 8.441 0.020 . 1 . . . . 1 ALA H . 19413 1 7 . 1 1 3 3 ALA HA H 1 4.319 0.020 . 1 . . . . 1 ALA HA . 19413 1 8 . 1 1 3 3 ALA HB1 H 1 1.352 0.020 . 1 . . . . 1 ALA QB . 19413 1 9 . 1 1 3 3 ALA HB2 H 1 1.352 0.020 . 1 . . . . 1 ALA QB . 19413 1 10 . 1 1 3 3 ALA HB3 H 1 1.352 0.020 . 1 . . . . 1 ALA QB . 19413 1 11 . 1 1 3 3 ALA CA C 13 52.033 0.200 . 1 . . . . 1 ALA CA . 19413 1 12 . 1 1 3 3 ALA CB C 13 19.124 0.200 . 1 . . . . 1 ALA CB . 19413 1 13 . 1 1 3 3 ALA N N 15 125.275 0.200 . 1 . . . . 1 ALA N . 19413 1 14 . 1 1 4 4 GLN H H 1 8.334 0.020 . 1 . . . . 2 GLN H . 19413 1 15 . 1 1 4 4 GLN HA H 1 4.479 0.020 . 1 . . . . 2 GLN HA . 19413 1 16 . 1 1 4 4 GLN HB2 H 1 2.062 0.020 . 2 . . . . 2 GLN HB2 . 19413 1 17 . 1 1 4 4 GLN HB3 H 1 2.002 0.020 . 2 . . . . 2 GLN HB3 . 19413 1 18 . 1 1 4 4 GLN CA C 13 55.413 0.200 . 1 . . . . 2 GLN CA . 19413 1 19 . 1 1 4 4 GLN CB C 13 29.494 0.200 . 1 . . . . 2 GLN CB . 19413 1 20 . 1 1 4 4 GLN N N 15 121.12 0.200 . 1 . . . . 2 GLN N . 19413 1 21 . 1 1 5 5 ILE H H 1 8.197 0.020 . 1 . . . . 3 ILE H . 19413 1 22 . 1 1 5 5 ILE HA H 1 4.411 0.020 . 1 . . . . 3 ILE HA . 19413 1 23 . 1 1 5 5 ILE HB H 1 1.825 0.020 . 1 . . . . 3 ILE HB . 19413 1 24 . 1 1 5 5 ILE HG12 H 1 1.169 0.020 . 2 . . . . 3 ILE HG12 . 19413 1 25 . 1 1 5 5 ILE HG13 H 1 1.481 0.020 . 2 . . . . 3 ILE HG13 . 19413 1 26 . 1 1 5 5 ILE HG21 H 1 0.884 0.020 . 1 . . . . 3 ILE QG2 . 19413 1 27 . 1 1 5 5 ILE HG22 H 1 0.884 0.020 . 1 . . . . 3 ILE QG2 . 19413 1 28 . 1 1 5 5 ILE HG23 H 1 0.884 0.020 . 1 . . . . 3 ILE QG2 . 19413 1 29 . 1 1 5 5 ILE HD11 H 1 0.578 0.020 . 1 . . . . 3 ILE QD1 . 19413 1 30 . 1 1 5 5 ILE HD12 H 1 0.578 0.020 . 1 . . . . 3 ILE QD1 . 19413 1 31 . 1 1 5 5 ILE HD13 H 1 0.578 0.020 . 1 . . . . 3 ILE QD1 . 19413 1 32 . 1 1 5 5 ILE CA C 13 60.793 0.200 . 1 . . . . 3 ILE CA . 19413 1 33 . 1 1 5 5 ILE CB C 13 39.691 0.200 . 1 . . . . 3 ILE CB . 19413 1 34 . 1 1 5 5 ILE CG1 C 13 24.888 0.200 . 1 . . . . 3 ILE CG1 . 19413 1 35 . 1 1 5 5 ILE CG2 C 13 18.794 0.200 . 1 . . . . 3 ILE CG2 . 19413 1 36 . 1 1 5 5 ILE CD1 C 13 14.435 0.200 . 1 . . . . 3 ILE CD1 . 19413 1 37 . 1 1 5 5 ILE N N 15 120.38 0.200 . 1 . . . . 3 ILE N . 19413 1 38 . 1 1 6 6 THR H H 1 9.119 0.020 . 1 . . . . 4 THR H . 19413 1 39 . 1 1 6 6 THR HA H 1 4.566 0.020 . 1 . . . . 4 THR HA . 19413 1 40 . 1 1 6 6 THR HB H 1 3.929 0.020 . 1 . . . . 4 THR HB . 19413 1 41 . 1 1 6 6 THR HG21 H 1 1.236 0.020 . 1 . . . . 4 THR QG2 . 19413 1 42 . 1 1 6 6 THR HG22 H 1 1.236 0.020 . 1 . . . . 4 THR QG2 . 19413 1 43 . 1 1 6 6 THR HG23 H 1 1.236 0.020 . 1 . . . . 4 THR QG2 . 19413 1 44 . 1 1 6 6 THR CA C 13 61.500 0.200 . 1 . . . . 4 THR CA . 19413 1 45 . 1 1 6 6 THR CB C 13 71.727 0.200 . 1 . . . . 4 THR CB . 19413 1 46 . 1 1 6 6 THR CG2 C 13 21.229 0.200 . 1 . . . . 4 THR CG2 . 19413 1 47 . 1 1 6 6 THR N N 15 120.223 0.200 . 1 . . . . 4 THR N . 19413 1 48 . 1 1 7 7 ASP H H 1 8.510 0.020 . 1 . . . . 5 ASP H . 19413 1 49 . 1 1 7 7 ASP HA H 1 3.146 0.020 . 1 . . . . 5 ASP HA . 19413 1 50 . 1 1 7 7 ASP HB2 H 1 2.662 0.020 . 2 . . . . 5 ASP HB2 . 19413 1 51 . 1 1 7 7 ASP HB3 H 1 2.579 0.020 . 2 . . . . 5 ASP HB3 . 19413 1 52 . 1 1 7 7 ASP CA C 13 55.349 0.200 . 1 . . . . 5 ASP CA . 19413 1 53 . 1 1 7 7 ASP CB C 13 41.001 0.200 . 1 . . . . 5 ASP CB . 19413 1 54 . 1 1 7 7 ASP N N 15 128.193 0.200 . 1 . . . . 5 ASP N . 19413 1 55 . 1 1 8 8 GLY H H 1 8.608 0.020 . 1 . . . . 6 GLY H . 19413 1 56 . 1 1 8 8 GLY HA2 H 1 4.316 0.020 . 2 . . . . 6 GLY HA2 . 19413 1 57 . 1 1 8 8 GLY HA3 H 1 3.544 0.020 . 2 . . . . 6 GLY HA3 . 19413 1 58 . 1 1 8 8 GLY CA C 13 44.982 0.200 . 1 . . . . 6 GLY CA . 19413 1 59 . 1 1 8 8 GLY N N 15 117.4 0.200 . 1 . . . . 6 GLY N . 19413 1 60 . 1 1 9 9 LYS H H 1 8.131 0.020 . 1 . . . . 7 LYS H . 19413 1 61 . 1 1 9 9 LYS HA H 1 4.602 0.020 . 1 . . . . 7 LYS HA . 19413 1 62 . 1 1 9 9 LYS HB2 H 1 1.998 0.020 . 2 . . . . 7 LYS HB2 . 19413 1 63 . 1 1 9 9 LYS HB3 H 1 1.680 0.020 . 2 . . . . 7 LYS HB3 . 19413 1 64 . 1 1 9 9 LYS HG2 H 1 1.304 0.020 . 2 . . . . 7 LYS HG2 . 19413 1 65 . 1 1 9 9 LYS HG3 H 1 1.408 0.020 . 2 . . . . 7 LYS HG3 . 19413 1 66 . 1 1 9 9 LYS CA C 13 56.664 0.200 . 1 . . . . 7 LYS CA . 19413 1 67 . 1 1 9 9 LYS CB C 13 31.763 0.200 . 1 . . . . 7 LYS CB . 19413 1 68 . 1 1 9 9 LYS CG C 13 25.026 0.200 . 1 . . . . 7 LYS CG . 19413 1 69 . 1 1 9 9 LYS N N 15 122.122 0.200 . 1 . . . . 7 LYS N . 19413 1 70 . 1 1 10 10 GLN H H 1 8.548 0.020 . 1 . . . . 8 GLN H . 19413 1 71 . 1 1 10 10 GLN HA H 1 4.129 0.020 . 1 . . . . 8 GLN HA . 19413 1 72 . 1 1 10 10 GLN HB2 H 1 2.351 0.020 . 2 . . . . 8 GLN HB2 . 19413 1 73 . 1 1 10 10 GLN HB3 H 1 2.058 0.020 . 2 . . . . 8 GLN HB3 . 19413 1 74 . 1 1 10 10 GLN HG2 H 1 2.250 0.020 . 2 . . . . 8 GLN HG2 . 19413 1 75 . 1 1 10 10 GLN HG3 H 1 2.741 0.020 . 2 . . . . 8 GLN HG3 . 19413 1 76 . 1 1 10 10 GLN CA C 13 59.067 0.200 . 1 . . . . 8 GLN CA . 19413 1 77 . 1 1 10 10 GLN CB C 13 27.086 0.200 . 1 . . . . 8 GLN CB . 19413 1 78 . 1 1 10 10 GLN CG C 13 33.988 0.200 . 1 . . . . 8 GLN CG . 19413 1 79 . 1 1 10 10 GLN N N 15 115.92 0.200 . 1 . . . . 8 GLN N . 19413 1 80 . 1 1 11 11 TYR H H 1 7.572 0.020 . 1 . . . . 9 TYR H . 19413 1 81 . 1 1 11 11 TYR HA H 1 5.118 0.020 . 1 . . . . 9 TYR HA . 19413 1 82 . 1 1 11 11 TYR HB2 H 1 2.669 0.020 . 2 . . . . 9 TYR QB . 19413 1 83 . 1 1 11 11 TYR HB3 H 1 2.669 0.020 . 2 . . . . 9 TYR QB . 19413 1 84 . 1 1 11 11 TYR HD1 H 1 6.630 0.020 . 3 . . . . 9 TYR QD . 19413 1 85 . 1 1 11 11 TYR HD2 H 1 6.630 0.020 . 3 . . . . 9 TYR QD . 19413 1 86 . 1 1 11 11 TYR HE1 H 1 6.473 0.020 . 3 . . . . 9 TYR QE . 19413 1 87 . 1 1 11 11 TYR HE2 H 1 6.473 0.020 . 3 . . . . 9 TYR QE . 19413 1 88 . 1 1 11 11 TYR CA C 13 54.738 0.200 . 1 . . . . 9 TYR CA . 19413 1 89 . 1 1 11 11 TYR CB C 13 41.177 0.200 . 1 . . . . 9 TYR CB . 19413 1 90 . 1 1 11 11 TYR CD1 C 13 132.963 0.200 . 3 . . . . 9 TYR CD1 . 19413 1 91 . 1 1 11 11 TYR CE1 C 13 118.084 0.200 . 3 . . . . 9 TYR CE1 . 19413 1 92 . 1 1 11 11 TYR N N 15 112.118 0.200 . 1 . . . . 9 TYR N . 19413 1 93 . 1 1 12 12 ILE H H 1 9.365 0.020 . 1 . . . . 10 ILE H . 19413 1 94 . 1 1 12 12 ILE HA H 1 4.581 0.020 . 1 . . . . 10 ILE HA . 19413 1 95 . 1 1 12 12 ILE HB H 1 1.800 0.020 . 1 . . . . 10 ILE HB . 19413 1 96 . 1 1 12 12 ILE HG12 H 1 1.071 0.020 . 2 . . . . 10 ILE HG12 . 19413 1 97 . 1 1 12 12 ILE HG13 H 1 1.317 0.020 . 2 . . . . 10 ILE HG13 . 19413 1 98 . 1 1 12 12 ILE HG21 H 1 0.889 0.020 . 1 . . . . 10 ILE QG2 . 19413 1 99 . 1 1 12 12 ILE HG22 H 1 0.889 0.020 . 1 . . . . 10 ILE QG2 . 19413 1 100 . 1 1 12 12 ILE HG23 H 1 0.889 0.020 . 1 . . . . 10 ILE QG2 . 19413 1 101 . 1 1 12 12 ILE HD11 H 1 0.762 0.020 . 1 . . . . 10 ILE QD1 . 19413 1 102 . 1 1 12 12 ILE HD12 H 1 0.762 0.020 . 1 . . . . 10 ILE QD1 . 19413 1 103 . 1 1 12 12 ILE HD13 H 1 0.762 0.020 . 1 . . . . 10 ILE QD1 . 19413 1 104 . 1 1 12 12 ILE CA C 13 58.998 0.200 . 1 . . . . 10 ILE CA . 19413 1 105 . 1 1 12 12 ILE CB C 13 42.003 0.200 . 1 . . . . 10 ILE CB . 19413 1 106 . 1 1 12 12 ILE CG1 C 13 27.652 0.200 . 1 . . . . 10 ILE CG1 . 19413 1 107 . 1 1 12 12 ILE CG2 C 13 17.495 0.200 . 1 . . . . 10 ILE CG2 . 19413 1 108 . 1 1 12 12 ILE CD1 C 13 12.761 0.200 . 1 . . . . 10 ILE CD1 . 19413 1 109 . 1 1 12 12 ILE N N 15 119.488 0.200 . 1 . . . . 10 ILE N . 19413 1 110 . 1 1 13 13 THR H H 1 9.153 0.020 . 1 . . . . 11 THR H . 19413 1 111 . 1 1 13 13 THR HA H 1 4.837 0.020 . 1 . . . . 11 THR HA . 19413 1 112 . 1 1 13 13 THR HB H 1 4.255 0.020 . 1 . . . . 11 THR HB . 19413 1 113 . 1 1 13 13 THR HG21 H 1 1.378 0.020 . 1 . . . . 11 THR QG2 . 19413 1 114 . 1 1 13 13 THR HG22 H 1 1.378 0.020 . 1 . . . . 11 THR QG2 . 19413 1 115 . 1 1 13 13 THR HG23 H 1 1.378 0.020 . 1 . . . . 11 THR QG2 . 19413 1 116 . 1 1 13 13 THR CA C 13 63.376 0.200 . 1 . . . . 11 THR CA . 19413 1 117 . 1 1 13 13 THR CB C 13 68.487 0.200 . 1 . . . . 11 THR CB . 19413 1 118 . 1 1 13 13 THR CG2 C 13 21.755 0.200 . 1 . . . . 11 THR CG2 . 19413 1 119 . 1 1 13 13 THR N N 15 126.054 0.200 . 1 . . . . 11 THR N . 19413 1 120 . 1 1 14 14 LEU H H 1 8.636 0.020 . 1 . . . . 12 LEU H . 19413 1 121 . 1 1 14 14 LEU HA H 1 4.249 0.020 . 1 . . . . 12 LEU HA . 19413 1 122 . 1 1 14 14 LEU HB2 H 1 1.465 0.020 . 2 . . . . 12 LEU HB2 . 19413 1 123 . 1 1 14 14 LEU HB3 H 1 1.491 0.020 . 2 . . . . 12 LEU HB3 . 19413 1 124 . 1 1 14 14 LEU HG H 1 1.688 0.020 . 1 . . . . 12 LEU HG . 19413 1 125 . 1 1 14 14 LEU HD11 H 1 0.917 0.020 . 1 . . . . 12 LEU QD1 . 19413 1 126 . 1 1 14 14 LEU HD12 H 1 0.917 0.020 . 1 . . . . 12 LEU QD1 . 19413 1 127 . 1 1 14 14 LEU HD13 H 1 0.917 0.020 . 1 . . . . 12 LEU QD1 . 19413 1 128 . 1 1 14 14 LEU HD21 H 1 1.025 0.020 . 1 . . . . 12 LEU QD2 . 19413 1 129 . 1 1 14 14 LEU HD22 H 1 1.025 0.020 . 1 . . . . 12 LEU QD2 . 19413 1 130 . 1 1 14 14 LEU HD23 H 1 1.025 0.020 . 1 . . . . 12 LEU QD2 . 19413 1 131 . 1 1 14 14 LEU CA C 13 55.286 0.200 . 1 . . . . 12 LEU CA . 19413 1 132 . 1 1 14 14 LEU CB C 13 41.506 0.200 . 1 . . . . 12 LEU CB . 19413 1 133 . 1 1 14 14 LEU CG C 13 27.942 0.200 . 1 . . . . 12 LEU CG . 19413 1 134 . 1 1 14 14 LEU CD1 C 13 24.795 0.200 . 1 . . . . 12 LEU CD1 . 19413 1 135 . 1 1 14 14 LEU CD2 C 13 23.109 0.200 . 1 . . . . 12 LEU CD2 . 19413 1 136 . 1 1 14 14 LEU N N 15 129.37 0.200 . 1 . . . . 12 LEU N . 19413 1 137 . 1 1 15 15 ASP H H 1 8.494 0.020 . 1 . . . . 13 ASP H . 19413 1 138 . 1 1 15 15 ASP HA H 1 4.438 0.020 . 1 . . . . 13 ASP HA . 19413 1 139 . 1 1 15 15 ASP HB2 H 1 2.696 0.020 . 2 . . . . 13 ASP QB . 19413 1 140 . 1 1 15 15 ASP HB3 H 1 2.696 0.020 . 2 . . . . 13 ASP QB . 19413 1 141 . 1 1 15 15 ASP CA C 13 55.724 0.200 . 1 . . . . 13 ASP CA . 19413 1 142 . 1 1 15 15 ASP CB C 13 40.885 0.200 . 1 . . . . 13 ASP CB . 19413 1 143 . 1 1 15 15 ASP N N 15 122.179 0.200 . 1 . . . . 13 ASP N . 19413 1 144 . 1 1 16 16 LYS H H 1 7.714 0.020 . 1 . . . . 14 LYS H . 19413 1 145 . 1 1 16 16 LYS HA H 1 4.762 0.020 . 1 . . . . 14 LYS HA . 19413 1 146 . 1 1 16 16 LYS HB2 H 1 1.645 0.020 . 2 . . . . 14 LYS HB2 . 19413 1 147 . 1 1 16 16 LYS HB3 H 1 1.802 0.020 . 2 . . . . 14 LYS HB3 . 19413 1 148 . 1 1 16 16 LYS HG2 H 1 1.378 0.020 . 2 . . . . 14 LYS HG2 . 19413 1 149 . 1 1 16 16 LYS HG3 H 1 1.327 0.020 . 2 . . . . 14 LYS HG3 . 19413 1 150 . 1 1 16 16 LYS HD2 H 1 1.697 0.020 . 2 . . . . 14 LYS QD . 19413 1 151 . 1 1 16 16 LYS HD3 H 1 1.697 0.020 . 2 . . . . 14 LYS QD . 19413 1 152 . 1 1 16 16 LYS CA C 13 52.487 0.200 . 1 . . . . 14 LYS CA . 19413 1 153 . 1 1 16 16 LYS CB C 13 32.903 0.200 . 1 . . . . 14 LYS CB . 19413 1 154 . 1 1 16 16 LYS CG C 13 24.209 0.200 . 1 . . . . 14 LYS CG . 19413 1 155 . 1 1 16 16 LYS CD C 13 28.930 0.200 . 1 . . . . 14 LYS CD . 19413 1 156 . 1 1 16 16 LYS N N 15 119.361 0.200 . 1 . . . . 14 LYS N . 19413 1 157 . 1 1 17 17 PRO HA H 1 4.603 0.020 . 1 . . . . 15 PRO HA . 19413 1 158 . 1 1 17 17 PRO HB2 H 1 1.853 0.020 . 2 . . . . 15 PRO HB2 . 19413 1 159 . 1 1 17 17 PRO HB3 H 1 2.298 0.020 . 2 . . . . 15 PRO HB3 . 19413 1 160 . 1 1 17 17 PRO HG2 H 1 1.963 0.020 . 2 . . . . 15 PRO QG . 19413 1 161 . 1 1 17 17 PRO HG3 H 1 1.963 0.020 . 2 . . . . 15 PRO QG . 19413 1 162 . 1 1 17 17 PRO HD2 H 1 3.649 0.020 . 2 . . . . 15 PRO HD2 . 19413 1 163 . 1 1 17 17 PRO HD3 H 1 3.486 0.020 . 2 . . . . 15 PRO HD3 . 19413 1 164 . 1 1 17 17 PRO CA C 13 62.261 0.200 . 1 . . . . 15 PRO CA . 19413 1 165 . 1 1 17 17 PRO CB C 13 32.697 0.200 . 1 . . . . 15 PRO CB . 19413 1 166 . 1 1 17 17 PRO CG C 13 26.799 0.200 . 1 . . . . 15 PRO CG . 19413 1 167 . 1 1 17 17 PRO CD C 13 50.325 0.200 . 1 . . . . 15 PRO CD . 19413 1 168 . 1 1 18 18 ILE HA H 1 4.362 0.020 . 1 . . . . 16 ILE HA . 19413 1 169 . 1 1 18 18 ILE HB H 1 1.910 0.020 . 1 . . . . 16 ILE HB . 19413 1 170 . 1 1 18 18 ILE HG12 H 1 0.908 0.020 . 2 . . . . 16 ILE QG1 . 19413 1 171 . 1 1 18 18 ILE HG13 H 1 0.908 0.020 . 2 . . . . 16 ILE QG1 . 19413 1 172 . 1 1 18 18 ILE HG21 H 1 1.433 0.020 . 1 . . . . 16 ILE QG2 . 19413 1 173 . 1 1 18 18 ILE HG22 H 1 1.433 0.020 . 1 . . . . 16 ILE QG2 . 19413 1 174 . 1 1 18 18 ILE HG23 H 1 1.433 0.020 . 1 . . . . 16 ILE QG2 . 19413 1 175 . 1 1 18 18 ILE HD11 H 1 0.759 0.020 . 1 . . . . 16 ILE QD1 . 19413 1 176 . 1 1 18 18 ILE HD12 H 1 0.759 0.020 . 1 . . . . 16 ILE QD1 . 19413 1 177 . 1 1 18 18 ILE HD13 H 1 0.759 0.020 . 1 . . . . 16 ILE QD1 . 19413 1 178 . 1 1 18 18 ILE CA C 13 58.576 0.200 . 1 . . . . 16 ILE CA . 19413 1 179 . 1 1 18 18 ILE CB C 13 38.242 0.200 . 1 . . . . 16 ILE CB . 19413 1 180 . 1 1 18 18 ILE CG1 C 13 17.499 0.200 . 1 . . . . 16 ILE CG1 . 19413 1 181 . 1 1 18 18 ILE CG2 C 13 26.890 0.200 . 1 . . . . 16 ILE CG2 . 19413 1 182 . 1 1 18 18 ILE CD1 C 13 11.356 0.200 . 1 . . . . 16 ILE CD1 . 19413 1 183 . 1 1 19 19 ALA H H 1 8.396 0.020 . 1 . . . . 17 ALA H . 19413 1 184 . 1 1 19 19 ALA HA H 1 4.348 0.020 . 1 . . . . 17 ALA HA . 19413 1 185 . 1 1 19 19 ALA HB1 H 1 1.384 0.020 . 1 . . . . 17 ALA QB . 19413 1 186 . 1 1 19 19 ALA HB2 H 1 1.384 0.020 . 1 . . . . 17 ALA QB . 19413 1 187 . 1 1 19 19 ALA HB3 H 1 1.384 0.020 . 1 . . . . 17 ALA QB . 19413 1 188 . 1 1 19 19 ALA CA C 13 52.651 0.200 . 1 . . . . 17 ALA CA . 19413 1 189 . 1 1 19 19 ALA CB C 13 19.344 0.200 . 1 . . . . 17 ALA CB . 19413 1 190 . 1 1 19 19 ALA N N 15 130.287 0.200 . 1 . . . . 17 ALA N . 19413 1 191 . 1 1 20 20 GLY HA2 H 1 4.094 0.020 . 2 . . . . 18 GLY HA2 . 19413 1 192 . 1 1 20 20 GLY HA3 H 1 3.855 0.020 . 2 . . . . 18 GLY HA3 . 19413 1 193 . 1 1 20 20 GLY CA C 13 45.218 0.200 . 1 . . . . 18 GLY CA . 19413 1 194 . 1 1 22 22 PRO HA H 1 4.401 0.020 . 1 . . . . 20 PRO HA . 19413 1 195 . 1 1 22 22 PRO HB2 H 1 2.299 0.020 . 2 . . . . 20 PRO QB . 19413 1 196 . 1 1 22 22 PRO HB3 H 1 2.299 0.020 . 2 . . . . 20 PRO QB . 19413 1 197 . 1 1 22 22 PRO HG2 H 1 2.032 0.020 . 2 . . . . 20 PRO QG . 19413 1 198 . 1 1 22 22 PRO HG3 H 1 2.032 0.020 . 2 . . . . 20 PRO QG . 19413 1 199 . 1 1 22 22 PRO HD2 H 1 3.913 0.020 . 2 . . . . 20 PRO HD2 . 19413 1 200 . 1 1 22 22 PRO HD3 H 1 3.646 0.020 . 2 . . . . 20 PRO HD3 . 19413 1 201 . 1 1 22 22 PRO CA C 13 63.392 0.200 . 1 . . . . 20 PRO CA . 19413 1 202 . 1 1 22 22 PRO CB C 13 31.678 0.200 . 1 . . . . 20 PRO CB . 19413 1 203 . 1 1 22 22 PRO CG C 13 27.807 0.200 . 1 . . . . 20 PRO CG . 19413 1 204 . 1 1 22 22 PRO CD C 13 50.333 0.200 . 1 . . . . 20 PRO CD . 19413 1 205 . 1 1 25 25 LEU HA H 1 5.038 0.020 . 1 . . . . 23 LEU HA . 19413 1 206 . 1 1 25 25 LEU HB2 H 1 1.759 0.020 . 2 . . . . 23 LEU HB2 . 19413 1 207 . 1 1 25 25 LEU HB3 H 1 1.040 0.020 . 2 . . . . 23 LEU HB3 . 19413 1 208 . 1 1 25 25 LEU HG H 1 0.919 0.020 . 1 . . . . 23 LEU HG . 19413 1 209 . 1 1 25 25 LEU HD11 H 1 -0.008 0.020 . 1 . . . . 23 LEU QD1 . 19413 1 210 . 1 1 25 25 LEU HD12 H 1 -0.008 0.020 . 1 . . . . 23 LEU QD1 . 19413 1 211 . 1 1 25 25 LEU HD13 H 1 -0.008 0.020 . 1 . . . . 23 LEU QD1 . 19413 1 212 . 1 1 25 25 LEU HD21 H 1 0.543 0.020 . 1 . . . . 23 LEU QD2 . 19413 1 213 . 1 1 25 25 LEU HD22 H 1 0.543 0.020 . 1 . . . . 23 LEU QD2 . 19413 1 214 . 1 1 25 25 LEU HD23 H 1 0.543 0.020 . 1 . . . . 23 LEU QD2 . 19413 1 215 . 1 1 25 25 LEU CA C 13 52.966 0.200 . 1 . . . . 23 LEU CA . 19413 1 216 . 1 1 25 25 LEU CB C 13 46.113 0.200 . 1 . . . . 23 LEU CB . 19413 1 217 . 1 1 25 25 LEU CG C 13 26.780 0.200 . 1 . . . . 23 LEU CG . 19413 1 218 . 1 1 25 25 LEU CD1 C 13 22.694 0.200 . 1 . . . . 23 LEU CD1 . 19413 1 219 . 1 1 25 25 LEU CD2 C 13 25.968 0.200 . 1 . . . . 23 LEU CD2 . 19413 1 220 . 1 1 26 26 GLU H H 1 8.973 0.020 . 1 . . . . 24 GLU H . 19413 1 221 . 1 1 26 26 GLU HA H 1 5.605 0.020 . 1 . . . . 24 GLU HA . 19413 1 222 . 1 1 26 26 GLU HB2 H 1 2.054 0.020 . 2 . . . . 24 GLU QB . 19413 1 223 . 1 1 26 26 GLU HB3 H 1 2.054 0.020 . 2 . . . . 24 GLU QB . 19413 1 224 . 1 1 26 26 GLU CA C 13 53.438 0.200 . 1 . . . . 24 GLU CA . 19413 1 225 . 1 1 26 26 GLU CB C 13 33.704 0.200 . 1 . . . . 24 GLU CB . 19413 1 226 . 1 1 26 26 GLU N N 15 127.72 0.200 . 1 . . . . 24 GLU N . 19413 1 227 . 1 1 27 27 PHE H H 1 9.266 0.020 . 1 . . . . 25 PHE H . 19413 1 228 . 1 1 27 27 PHE HA H 1 6.066 0.020 . 1 . . . . 25 PHE HA . 19413 1 229 . 1 1 27 27 PHE HB2 H 1 2.819 0.020 . 2 . . . . 25 PHE QB . 19413 1 230 . 1 1 27 27 PHE HB3 H 1 2.819 0.020 . 2 . . . . 25 PHE QB . 19413 1 231 . 1 1 27 27 PHE HD1 H 1 7.187 0.020 . 3 . . . . 25 PHE QD . 19413 1 232 . 1 1 27 27 PHE HD2 H 1 7.187 0.020 . 3 . . . . 25 PHE QD . 19413 1 233 . 1 1 27 27 PHE CA C 13 55.945 0.200 . 1 . . . . 25 PHE CA . 19413 1 234 . 1 1 27 27 PHE CB C 13 44.006 0.200 . 1 . . . . 25 PHE CB . 19413 1 235 . 1 1 27 27 PHE CD1 C 13 132.303 0.200 . 3 . . . . 25 PHE CD1 . 19413 1 236 . 1 1 27 27 PHE CD2 C 13 132.300 0.200 . 3 . . . . 25 PHE CD2 . 19413 1 237 . 1 1 27 27 PHE N N 15 121.108 0.200 . 1 . . . . 25 PHE N . 19413 1 238 . 1 1 28 28 PHE H H 1 8.957 0.020 . 1 . . . . 26 PHE H . 19413 1 239 . 1 1 28 28 PHE HA H 1 4.781 0.020 . 1 . . . . 26 PHE HA . 19413 1 240 . 1 1 28 28 PHE HB2 H 1 3.178 0.020 . 2 . . . . 26 PHE HB2 . 19413 1 241 . 1 1 28 28 PHE HB3 H 1 2.539 0.020 . 2 . . . . 26 PHE HB3 . 19413 1 242 . 1 1 28 28 PHE HD1 H 1 6.547 0.020 . 3 . . . . 26 PHE QD . 19413 1 243 . 1 1 28 28 PHE HD2 H 1 6.547 0.020 . 3 . . . . 26 PHE QD . 19413 1 244 . 1 1 28 28 PHE CA C 13 54.838 0.200 . 1 . . . . 26 PHE CA . 19413 1 245 . 1 1 28 28 PHE CB C 13 43.604 0.200 . 1 . . . . 26 PHE CB . 19413 1 246 . 1 1 28 28 PHE CD1 C 13 131.184 0.200 . 3 . . . . 26 PHE CD1 . 19413 1 247 . 1 1 28 28 PHE CD2 C 13 131.180 0.200 . 3 . . . . 26 PHE CD2 . 19413 1 248 . 1 1 28 28 PHE N N 15 120.125 0.200 . 1 . . . . 26 PHE N . 19413 1 249 . 1 1 29 29 SER H H 1 6.543 0.020 . 1 . . . . 27 SER H . 19413 1 250 . 1 1 29 29 SER HA H 1 3.584 0.020 . 1 . . . . 27 SER HA . 19413 1 251 . 1 1 29 29 SER HB2 H 1 3.408 0.020 . 2 . . . . 27 SER HB2 . 19413 1 252 . 1 1 29 29 SER HB3 H 1 3.060 0.020 . 2 . . . . 27 SER HB3 . 19413 1 253 . 1 1 29 29 SER CA C 13 54.556 0.200 . 1 . . . . 27 SER CA . 19413 1 254 . 1 1 29 29 SER CB C 13 64.711 0.200 . 1 . . . . 27 SER CB . 19413 1 255 . 1 1 29 29 SER N N 15 109.643 0.200 . 1 . . . . 27 SER N . 19413 1 256 . 1 1 30 30 PHE H H 1 11.199 0.020 . 1 . . . . 28 PHE H . 19413 1 257 . 1 1 30 30 PHE HA H 1 4.367 0.020 . 1 . . . . 28 PHE HA . 19413 1 258 . 1 1 30 30 PHE HB2 H 1 2.833 0.020 . 2 . . . . 28 PHE HB2 . 19413 1 259 . 1 1 30 30 PHE HB3 H 1 2.564 0.020 . 2 . . . . 28 PHE HB3 . 19413 1 260 . 1 1 30 30 PHE CA C 13 62.530 0.200 . 1 . . . . 28 PHE CA . 19413 1 261 . 1 1 30 30 PHE CB C 13 38.643 0.200 . 1 . . . . 28 PHE CB . 19413 1 262 . 1 1 30 30 PHE N N 15 132.096 0.200 . 1 . . . . 28 PHE N . 19413 1 263 . 1 1 31 31 TYR H H 1 8.619 0.020 . 1 . . . . 29 TYR H . 19413 1 264 . 1 1 31 31 TYR HA H 1 4.369 0.020 . 1 . . . . 29 TYR HA . 19413 1 265 . 1 1 31 31 TYR HB2 H 1 3.262 0.020 . 2 . . . . 29 TYR HB2 . 19413 1 266 . 1 1 31 31 TYR HB3 H 1 2.495 0.020 . 2 . . . . 29 TYR HB3 . 19413 1 267 . 1 1 31 31 TYR HD1 H 1 7.077 0.020 . 3 . . . . 29 TYR QD . 19413 1 268 . 1 1 31 31 TYR HD2 H 1 7.077 0.020 . 3 . . . . 29 TYR QD . 19413 1 269 . 1 1 31 31 TYR HE1 H 1 6.716 0.020 . 3 . . . . 29 TYR QE . 19413 1 270 . 1 1 31 31 TYR HE2 H 1 6.716 0.020 . 3 . . . . 29 TYR QE . 19413 1 271 . 1 1 31 31 TYR CA C 13 59.845 0.200 . 1 . . . . 29 TYR CA . 19413 1 272 . 1 1 31 31 TYR CB C 13 39.781 0.200 . 1 . . . . 29 TYR CB . 19413 1 273 . 1 1 31 31 TYR CD1 C 13 133.753 0.200 . 3 . . . . 29 TYR CD1 . 19413 1 274 . 1 1 31 31 TYR CE1 C 13 118.386 0.200 . 3 . . . . 29 TYR CE1 . 19413 1 275 . 1 1 31 31 TYR N N 15 115.582 0.200 . 1 . . . . 29 TYR N . 19413 1 276 . 1 1 32 32 CYS H H 1 7.284 0.020 . 1 . . . . 30 CYS H . 19413 1 277 . 1 1 32 32 CYS HA H 1 5.006 0.020 . 1 . . . . 30 CYS HA . 19413 1 278 . 1 1 32 32 CYS HB2 H 1 3.881 0.020 . 2 . . . . 30 CYS HB2 . 19413 1 279 . 1 1 32 32 CYS HB3 H 1 3.811 0.020 . 2 . . . . 30 CYS HB3 . 19413 1 280 . 1 1 32 32 CYS CA C 13 52.459 0.200 . 1 . . . . 30 CYS CA . 19413 1 281 . 1 1 32 32 CYS CB C 13 46.378 0.200 . 1 . . . . 30 CYS CB . 19413 1 282 . 1 1 32 32 CYS N N 15 121.025 0.200 . 1 . . . . 30 CYS N . 19413 1 283 . 1 1 33 33 PRO HA H 1 5.077 0.020 . 1 . . . . 31 PRO HA . 19413 1 284 . 1 1 33 33 PRO HB2 H 1 2.512 0.020 . 2 . . . . 31 PRO QB . 19413 1 285 . 1 1 33 33 PRO HB3 H 1 2.512 0.020 . 2 . . . . 31 PRO QB . 19413 1 286 . 1 1 33 33 PRO HG2 H 1 2.051 0.020 . 2 . . . . 31 PRO HG2 . 19413 1 287 . 1 1 33 33 PRO HG3 H 1 2.231 0.020 . 2 . . . . 31 PRO HG3 . 19413 1 288 . 1 1 33 33 PRO HD2 H 1 4.055 0.020 . 2 . . . . 31 PRO HD2 . 19413 1 289 . 1 1 33 33 PRO HD3 H 1 4.621 0.020 . 2 . . . . 31 PRO HD3 . 19413 1 290 . 1 1 33 33 PRO CA C 13 65.973 0.200 . 1 . . . . 31 PRO CA . 19413 1 291 . 1 1 33 33 PRO CB C 13 32.208 0.200 . 1 . . . . 31 PRO CB . 19413 1 292 . 1 1 33 33 PRO CG C 13 27.831 0.200 . 1 . . . . 31 PRO CG . 19413 1 293 . 1 1 33 33 PRO CD C 13 52.126 0.200 . 1 . . . . 31 PRO CD . 19413 1 294 . 1 1 34 34 HIS HA H 1 4.604 0.020 . 1 . . . . 32 HIS HA . 19413 1 295 . 1 1 34 34 HIS HB2 H 1 3.124 0.020 . 2 . . . . 32 HIS HB2 . 19413 1 296 . 1 1 34 34 HIS HB3 H 1 2.966 0.020 . 2 . . . . 32 HIS HB3 . 19413 1 297 . 1 1 34 34 HIS HD2 H 1 6.985 0.020 . 1 . . . . 32 HIS HD2 . 19413 1 298 . 1 1 34 34 HIS CA C 13 58.447 0.200 . 1 . . . . 32 HIS CA . 19413 1 299 . 1 1 34 34 HIS CB C 13 30.054 0.200 . 1 . . . . 32 HIS CB . 19413 1 300 . 1 1 34 34 HIS CD2 C 13 118.525 0.200 . 1 . . . . 32 HIS CD2 . 19413 1 301 . 1 1 35 35 CYS H H 1 8.921 0.020 . 1 . . . . 33 CYS H . 19413 1 302 . 1 1 35 35 CYS HA H 1 4.539 0.020 . 1 . . . . 33 CYS HA . 19413 1 303 . 1 1 35 35 CYS HB2 H 1 3.531 0.020 . 2 . . . . 33 CYS QB . 19413 1 304 . 1 1 35 35 CYS HB3 H 1 3.531 0.020 . 2 . . . . 33 CYS QB . 19413 1 305 . 1 1 35 35 CYS CA C 13 63.192 0.200 . 1 . . . . 33 CYS CA . 19413 1 306 . 1 1 35 35 CYS CB C 13 33.843 0.200 . 1 . . . . 33 CYS CB . 19413 1 307 . 1 1 35 35 CYS N N 15 117.365 0.200 . 1 . . . . 33 CYS N . 19413 1 308 . 1 1 36 36 TYR H H 1 7.650 0.020 . 1 . . . . 34 TYR H . 19413 1 309 . 1 1 36 36 TYR HA H 1 2.762 0.020 . 1 . . . . 34 TYR HA . 19413 1 310 . 1 1 36 36 TYR HB2 H 1 3.431 0.020 . 2 . . . . 34 TYR HB2 . 19413 1 311 . 1 1 36 36 TYR HB3 H 1 2.796 0.020 . 2 . . . . 34 TYR HB3 . 19413 1 312 . 1 1 36 36 TYR HD1 H 1 6.733 0.020 . 3 . . . . 34 TYR QD . 19413 1 313 . 1 1 36 36 TYR HD2 H 1 6.733 0.020 . 3 . . . . 34 TYR QD . 19413 1 314 . 1 1 36 36 TYR HE1 H 1 6.705 0.020 . 3 . . . . 34 TYR QE . 19413 1 315 . 1 1 36 36 TYR HE2 H 1 6.705 0.020 . 3 . . . . 34 TYR QE . 19413 1 316 . 1 1 36 36 TYR CA C 13 60.433 0.200 . 1 . . . . 34 TYR CA . 19413 1 317 . 1 1 36 36 TYR CB C 13 37.485 0.200 . 1 . . . . 34 TYR CB . 19413 1 318 . 1 1 36 36 TYR CD1 C 13 132.256 0.200 . 3 . . . . 34 TYR CD1 . 19413 1 319 . 1 1 36 36 TYR CE1 C 13 117.821 0.200 . 3 . . . . 34 TYR CE1 . 19413 1 320 . 1 1 36 36 TYR N N 15 123.491 0.200 . 1 . . . . 34 TYR N . 19413 1 321 . 1 1 37 37 GLN H H 1 7.641 0.020 . 1 . . . . 35 GLN H . 19413 1 322 . 1 1 37 37 GLN HA H 1 3.712 0.020 . 1 . . . . 35 GLN HA . 19413 1 323 . 1 1 37 37 GLN HB2 H 1 2.272 0.020 . 2 . . . . 35 GLN QB . 19413 1 324 . 1 1 37 37 GLN HB3 H 1 2.272 0.020 . 2 . . . . 35 GLN QB . 19413 1 325 . 1 1 37 37 GLN HG2 H 1 2.472 0.020 . 2 . . . . 35 GLN QG . 19413 1 326 . 1 1 37 37 GLN HG3 H 1 2.472 0.020 . 2 . . . . 35 GLN QG . 19413 1 327 . 1 1 37 37 GLN HE21 H 1 7.502 0.020 . 2 . . . . 35 GLN HE21 . 19413 1 328 . 1 1 37 37 GLN HE22 H 1 6.899 0.020 . 2 . . . . 35 GLN HE22 . 19413 1 329 . 1 1 37 37 GLN CA C 13 58.410 0.200 . 1 . . . . 35 GLN CA . 19413 1 330 . 1 1 37 37 GLN CB C 13 27.933 0.200 . 1 . . . . 35 GLN CB . 19413 1 331 . 1 1 37 37 GLN CG C 13 32.848 0.200 . 1 . . . . 35 GLN CG . 19413 1 332 . 1 1 37 37 GLN N N 15 118.639 0.200 . 1 . . . . 35 GLN N . 19413 1 333 . 1 1 37 37 GLN NE2 N 15 111.094 0.200 . 1 . . . . 35 GLN NE2 . 19413 1 334 . 1 1 38 38 PHE H H 1 8.721 0.020 . 1 . . . . 36 PHE H . 19413 1 335 . 1 1 38 38 PHE HA H 1 4.030 0.020 . 1 . . . . 36 PHE HA . 19413 1 336 . 1 1 38 38 PHE HB2 H 1 3.400 0.020 . 2 . . . . 36 PHE HB2 . 19413 1 337 . 1 1 38 38 PHE HB3 H 1 3.199 0.020 . 2 . . . . 36 PHE HB3 . 19413 1 338 . 1 1 38 38 PHE HD1 H 1 7.138 0.020 . 3 . . . . 36 PHE QD . 19413 1 339 . 1 1 38 38 PHE HD2 H 1 7.138 0.020 . 3 . . . . 36 PHE QD . 19413 1 340 . 1 1 38 38 PHE CA C 13 60.801 0.200 . 1 . . . . 36 PHE CA . 19413 1 341 . 1 1 38 38 PHE CB C 13 38.919 0.200 . 1 . . . . 36 PHE CB . 19413 1 342 . 1 1 38 38 PHE CD1 C 13 130.690 0.200 . 3 . . . . 36 PHE CD1 . 19413 1 343 . 1 1 38 38 PHE CD2 C 13 130.689 0.200 . 3 . . . . 36 PHE CD2 . 19413 1 344 . 1 1 38 38 PHE N N 15 121.254 0.200 . 1 . . . . 36 PHE N . 19413 1 345 . 1 1 39 39 GLU H H 1 7.705 0.020 . 1 . . . . 37 GLU H . 19413 1 346 . 1 1 39 39 GLU HA H 1 4.327 0.020 . 1 . . . . 37 GLU HA . 19413 1 347 . 1 1 39 39 GLU HB2 H 1 1.874 0.020 . 2 . . . . 37 GLU HB2 . 19413 1 348 . 1 1 39 39 GLU HB3 H 1 1.739 0.020 . 2 . . . . 37 GLU HB3 . 19413 1 349 . 1 1 39 39 GLU HG2 H 1 2.081 0.020 . 2 . . . . 37 GLU HG2 . 19413 1 350 . 1 1 39 39 GLU HG3 H 1 2.308 0.020 . 2 . . . . 37 GLU HG3 . 19413 1 351 . 1 1 39 39 GLU CA C 13 57.784 0.200 . 1 . . . . 37 GLU CA . 19413 1 352 . 1 1 39 39 GLU CB C 13 30.856 0.200 . 1 . . . . 37 GLU CB . 19413 1 353 . 1 1 39 39 GLU CG C 13 35.116 0.200 . 1 . . . . 37 GLU CG . 19413 1 354 . 1 1 39 39 GLU N N 15 116.279 0.200 . 1 . . . . 37 GLU N . 19413 1 355 . 1 1 40 40 GLU H H 1 7.870 0.020 . 1 . . . . 38 GLU H . 19413 1 356 . 1 1 40 40 GLU HA H 1 4.006 0.020 . 1 . . . . 38 GLU HA . 19413 1 357 . 1 1 40 40 GLU HB2 H 1 1.835 0.020 . 2 . . . . 38 GLU HB2 . 19413 1 358 . 1 1 40 40 GLU HB3 H 1 0.981 0.020 . 2 . . . . 38 GLU HB3 . 19413 1 359 . 1 1 40 40 GLU HG2 H 1 1.702 0.020 . 2 . . . . 38 GLU HG2 . 19413 1 360 . 1 1 40 40 GLU HG3 H 1 2.086 0.020 . 2 . . . . 38 GLU HG3 . 19413 1 361 . 1 1 40 40 GLU CA C 13 55.578 0.200 . 1 . . . . 38 GLU CA . 19413 1 362 . 1 1 40 40 GLU CB C 13 29.783 0.200 . 1 . . . . 38 GLU CB . 19413 1 363 . 1 1 40 40 GLU CG C 13 34.661 0.200 . 1 . . . . 38 GLU CG . 19413 1 364 . 1 1 40 40 GLU N N 15 112.285 0.200 . 1 . . . . 38 GLU N . 19413 1 365 . 1 1 41 41 VAL H H 1 6.850 0.020 . 1 . . . . 39 VAL H . 19413 1 366 . 1 1 41 41 VAL HA H 1 4.008 0.020 . 1 . . . . 39 VAL HA . 19413 1 367 . 1 1 41 41 VAL HB H 1 2.167 0.020 . 1 . . . . 39 VAL HB . 19413 1 368 . 1 1 41 41 VAL HG11 H 1 0.899 0.020 . 1 . . . . 39 VAL QG1 . 19413 1 369 . 1 1 41 41 VAL HG12 H 1 0.899 0.020 . 1 . . . . 39 VAL QG1 . 19413 1 370 . 1 1 41 41 VAL HG13 H 1 0.899 0.020 . 1 . . . . 39 VAL QG1 . 19413 1 371 . 1 1 41 41 VAL HG21 H 1 0.775 0.020 . 1 . . . . 39 VAL QG2 . 19413 1 372 . 1 1 41 41 VAL HG22 H 1 0.775 0.020 . 1 . . . . 39 VAL QG2 . 19413 1 373 . 1 1 41 41 VAL HG23 H 1 0.775 0.020 . 1 . . . . 39 VAL QG2 . 19413 1 374 . 1 1 41 41 VAL CA C 13 63.965 0.200 . 1 . . . . 39 VAL CA . 19413 1 375 . 1 1 41 41 VAL CB C 13 32.360 0.200 . 1 . . . . 39 VAL CB . 19413 1 376 . 1 1 41 41 VAL CG1 C 13 20.529 0.200 . 1 . . . . 39 VAL CG1 . 19413 1 377 . 1 1 41 41 VAL CG2 C 13 20.695 0.200 . 1 . . . . 39 VAL CG2 . 19413 1 378 . 1 1 41 41 VAL N N 15 117.365 0.200 . 1 . . . . 39 VAL N . 19413 1 379 . 1 1 42 42 LEU H H 1 8.171 0.020 . 1 . . . . 40 LEU H . 19413 1 380 . 1 1 42 42 LEU HA H 1 4.093 0.020 . 1 . . . . 40 LEU HA . 19413 1 381 . 1 1 42 42 LEU HB2 H 1 1.814 0.020 . 2 . . . . 40 LEU HB2 . 19413 1 382 . 1 1 42 42 LEU HB3 H 1 1.305 0.020 . 2 . . . . 40 LEU HB3 . 19413 1 383 . 1 1 42 42 LEU HG H 1 1.538 0.020 . 1 . . . . 40 LEU HG . 19413 1 384 . 1 1 42 42 LEU HD11 H 1 0.804 0.020 . 2 . . . . 40 LEU QD1 . 19413 1 385 . 1 1 42 42 LEU HD12 H 1 0.804 0.020 . 2 . . . . 40 LEU QD1 . 19413 1 386 . 1 1 42 42 LEU HD13 H 1 0.804 0.020 . 2 . . . . 40 LEU QD1 . 19413 1 387 . 1 1 42 42 LEU HD21 H 1 0.820 0.020 . 2 . . . . 40 LEU QD2 . 19413 1 388 . 1 1 42 42 LEU HD22 H 1 0.820 0.020 . 2 . . . . 40 LEU QD2 . 19413 1 389 . 1 1 42 42 LEU HD23 H 1 0.820 0.020 . 2 . . . . 40 LEU QD2 . 19413 1 390 . 1 1 42 42 LEU CA C 13 55.099 0.200 . 1 . . . . 40 LEU CA . 19413 1 391 . 1 1 42 42 LEU CB C 13 43.113 0.200 . 1 . . . . 40 LEU CB . 19413 1 392 . 1 1 42 42 LEU CG C 13 27.062 0.200 . 1 . . . . 40 LEU CG . 19413 1 393 . 1 1 42 42 LEU CD1 C 13 25.282 0.200 . 2 . . . . 40 LEU CD1 . 19413 1 394 . 1 1 42 42 LEU CD2 C 13 22.494 0.200 . 2 . . . . 40 LEU CD2 . 19413 1 395 . 1 1 42 42 LEU N N 15 116.098 0.200 . 1 . . . . 40 LEU N . 19413 1 396 . 1 1 43 43 HIS H H 1 6.459 0.020 . 1 . . . . 41 HIS H . 19413 1 397 . 1 1 43 43 HIS HA H 1 4.506 0.020 . 1 . . . . 41 HIS HA . 19413 1 398 . 1 1 43 43 HIS HB2 H 1 3.260 0.020 . 2 . . . . 41 HIS QB . 19413 1 399 . 1 1 43 43 HIS HB3 H 1 3.260 0.020 . 2 . . . . 41 HIS QB . 19413 1 400 . 1 1 43 43 HIS HD2 H 1 6.968 0.020 . 1 . . . . 41 HIS HD2 . 19413 1 401 . 1 1 43 43 HIS HE1 H 1 8.522 0.020 . 1 . . . . 41 HIS HE1 . 19413 1 402 . 1 1 43 43 HIS CA C 13 55.467 0.200 . 1 . . . . 41 HIS CA . 19413 1 403 . 1 1 43 43 HIS CB C 13 25.603 0.200 . 1 . . . . 41 HIS CB . 19413 1 404 . 1 1 43 43 HIS CD2 C 13 120.061 0.200 . 1 . . . . 41 HIS CD2 . 19413 1 405 . 1 1 43 43 HIS CE1 C 13 135.898 0.200 . 1 . . . . 41 HIS CE1 . 19413 1 406 . 1 1 43 43 HIS N N 15 111.93 0.200 . 1 . . . . 41 HIS N . 19413 1 407 . 1 1 44 44 VAL H H 1 8.621 0.020 . 1 . . . . 42 VAL H . 19413 1 408 . 1 1 44 44 VAL HA H 1 3.028 0.020 . 1 . . . . 42 VAL HA . 19413 1 409 . 1 1 44 44 VAL HB H 1 1.000 0.020 . 1 . . . . 42 VAL HB . 19413 1 410 . 1 1 44 44 VAL HG11 H 1 -0.097 0.020 . 1 . . . . 42 VAL QG1 . 19413 1 411 . 1 1 44 44 VAL HG12 H 1 -0.097 0.020 . 1 . . . . 42 VAL QG1 . 19413 1 412 . 1 1 44 44 VAL HG13 H 1 -0.097 0.020 . 1 . . . . 42 VAL QG1 . 19413 1 413 . 1 1 44 44 VAL HG21 H 1 0.208 0.020 . 1 . . . . 42 VAL QG2 . 19413 1 414 . 1 1 44 44 VAL HG22 H 1 0.208 0.020 . 1 . . . . 42 VAL QG2 . 19413 1 415 . 1 1 44 44 VAL HG23 H 1 0.208 0.020 . 1 . . . . 42 VAL QG2 . 19413 1 416 . 1 1 44 44 VAL CA C 13 67.972 0.200 . 1 . . . . 42 VAL CA . 19413 1 417 . 1 1 44 44 VAL CB C 13 30.886 0.200 . 1 . . . . 42 VAL CB . 19413 1 418 . 1 1 44 44 VAL CG1 C 13 21.305 0.200 . 1 . . . . 42 VAL CG1 . 19413 1 419 . 1 1 44 44 VAL CG2 C 13 23.113 0.200 . 1 . . . . 42 VAL CG2 . 19413 1 420 . 1 1 44 44 VAL N N 15 120.465 0.200 . 1 . . . . 42 VAL N . 19413 1 421 . 1 1 45 45 SER H H 1 8.040 0.020 . 1 . . . . 43 SER H . 19413 1 422 . 1 1 45 45 SER HA H 1 4.002 0.020 . 1 . . . . 43 SER HA . 19413 1 423 . 1 1 45 45 SER HB2 H 1 3.762 0.020 . 2 . . . . 43 SER QB . 19413 1 424 . 1 1 45 45 SER HB3 H 1 3.762 0.020 . 2 . . . . 43 SER QB . 19413 1 425 . 1 1 45 45 SER CA C 13 61.242 0.200 . 1 . . . . 43 SER CA . 19413 1 426 . 1 1 45 45 SER CB C 13 62.565 0.200 . 1 . . . . 43 SER CB . 19413 1 427 . 1 1 45 45 SER N N 15 113.968 0.200 . 1 . . . . 43 SER N . 19413 1 428 . 1 1 46 46 ASP H H 1 8.215 0.020 . 1 . . . . 44 ASP H . 19413 1 429 . 1 1 46 46 ASP HA H 1 4.414 0.020 . 1 . . . . 44 ASP HA . 19413 1 430 . 1 1 46 46 ASP HB2 H 1 2.658 0.020 . 2 . . . . 44 ASP QB . 19413 1 431 . 1 1 46 46 ASP HB3 H 1 2.658 0.020 . 2 . . . . 44 ASP QB . 19413 1 432 . 1 1 46 46 ASP CA C 13 57.232 0.200 . 1 . . . . 44 ASP CA . 19413 1 433 . 1 1 46 46 ASP CB C 13 41.032 0.200 . 1 . . . . 44 ASP CB . 19413 1 434 . 1 1 46 46 ASP N N 15 121.731 0.200 . 1 . . . . 44 ASP N . 19413 1 435 . 1 1 47 47 ASN H H 1 7.860 0.020 . 1 . . . . 45 ASN H . 19413 1 436 . 1 1 47 47 ASN HA H 1 4.272 0.020 . 1 . . . . 45 ASN HA . 19413 1 437 . 1 1 47 47 ASN HB2 H 1 2.780 0.020 . 2 . . . . 45 ASN HB2 . 19413 1 438 . 1 1 47 47 ASN HB3 H 1 2.273 0.020 . 2 . . . . 45 ASN HB3 . 19413 1 439 . 1 1 47 47 ASN HD21 H 1 7.391 0.020 . 2 . . . . 45 ASN QD2 . 19413 1 440 . 1 1 47 47 ASN HD22 H 1 7.391 0.020 . 2 . . . . 45 ASN QD2 . 19413 1 441 . 1 1 47 47 ASN CA C 13 57.322 0.200 . 1 . . . . 45 ASN CA . 19413 1 442 . 1 1 47 47 ASN CB C 13 39.627 0.200 . 1 . . . . 45 ASN CB . 19413 1 443 . 1 1 47 47 ASN N N 15 118.906 0.200 . 1 . . . . 45 ASN N . 19413 1 444 . 1 1 47 47 ASN ND2 N 15 115.452 0.200 . 1 . . . . 45 ASN ND2 . 19413 1 445 . 1 1 48 48 VAL H H 1 8.583 0.020 . 1 . . . . 46 VAL H . 19413 1 446 . 1 1 48 48 VAL HA H 1 3.465 0.020 . 1 . . . . 46 VAL HA . 19413 1 447 . 1 1 48 48 VAL HB H 1 2.342 0.020 . 1 . . . . 46 VAL HB . 19413 1 448 . 1 1 48 48 VAL HG11 H 1 1.035 0.020 . 1 . . . . 46 VAL QG1 . 19413 1 449 . 1 1 48 48 VAL HG12 H 1 1.035 0.020 . 1 . . . . 46 VAL QG1 . 19413 1 450 . 1 1 48 48 VAL HG13 H 1 1.035 0.020 . 1 . . . . 46 VAL QG1 . 19413 1 451 . 1 1 48 48 VAL HG21 H 1 1.019 0.020 . 1 . . . . 46 VAL QG2 . 19413 1 452 . 1 1 48 48 VAL HG22 H 1 1.019 0.020 . 1 . . . . 46 VAL QG2 . 19413 1 453 . 1 1 48 48 VAL HG23 H 1 1.019 0.020 . 1 . . . . 46 VAL QG2 . 19413 1 454 . 1 1 48 48 VAL CA C 13 66.801 0.200 . 1 . . . . 46 VAL CA . 19413 1 455 . 1 1 48 48 VAL CB C 13 31.349 0.200 . 1 . . . . 46 VAL CB . 19413 1 456 . 1 1 48 48 VAL CG1 C 13 23.530 0.200 . 1 . . . . 46 VAL CG1 . 19413 1 457 . 1 1 48 48 VAL CG2 C 13 22.112 0.200 . 1 . . . . 46 VAL CG2 . 19413 1 458 . 1 1 48 48 VAL N N 15 119.934 0.200 . 1 . . . . 46 VAL N . 19413 1 459 . 1 1 49 49 ARG H H 1 8.522 0.020 . 1 . . . . 47 ARG H . 19413 1 460 . 1 1 49 49 ARG HA H 1 3.821 0.020 . 1 . . . . 47 ARG HA . 19413 1 461 . 1 1 49 49 ARG HB2 H 1 2.060 0.020 . 2 . . . . 47 ARG QB . 19413 1 462 . 1 1 49 49 ARG HB3 H 1 2.060 0.020 . 2 . . . . 47 ARG QB . 19413 1 463 . 1 1 49 49 ARG HG2 H 1 1.692 0.020 . 2 . . . . 47 ARG HG2 . 19413 1 464 . 1 1 49 49 ARG HG3 H 1 1.782 0.020 . 2 . . . . 47 ARG HG3 . 19413 1 465 . 1 1 49 49 ARG HD2 H 1 3.336 0.020 . 2 . . . . 47 ARG HD2 . 19413 1 466 . 1 1 49 49 ARG HD3 H 1 3.291 0.020 . 2 . . . . 47 ARG HD3 . 19413 1 467 . 1 1 49 49 ARG HE H 1 7.282 0.020 . 1 . . . . 47 ARG HE . 19413 1 468 . 1 1 49 49 ARG CA C 13 59.802 0.200 . 1 . . . . 47 ARG CA . 19413 1 469 . 1 1 49 49 ARG CB C 13 30.338 0.200 . 1 . . . . 47 ARG CB . 19413 1 470 . 1 1 49 49 ARG CG C 13 27.587 0.200 . 1 . . . . 47 ARG CG . 19413 1 471 . 1 1 49 49 ARG CD C 13 43.359 0.200 . 1 . . . . 47 ARG CD . 19413 1 472 . 1 1 49 49 ARG N N 15 119.655 0.200 . 1 . . . . 47 ARG N . 19413 1 473 . 1 1 49 49 ARG NE N 15 84.604 0.200 . 1 . . . . 47 ARG NE . 19413 1 474 . 1 1 50 50 GLN H H 1 7.605 0.020 . 1 . . . . 48 GLN H . 19413 1 475 . 1 1 50 50 GLN HA H 1 4.118 0.020 . 1 . . . . 48 GLN HA . 19413 1 476 . 1 1 50 50 GLN HB2 H 1 2.228 0.020 . 2 . . . . 48 GLN HB2 . 19413 1 477 . 1 1 50 50 GLN HB3 H 1 2.121 0.020 . 2 . . . . 48 GLN HB3 . 19413 1 478 . 1 1 50 50 GLN HG2 H 1 2.597 0.020 . 2 . . . . 48 GLN HG2 . 19413 1 479 . 1 1 50 50 GLN HG3 H 1 2.506 0.020 . 2 . . . . 48 GLN HG3 . 19413 1 480 . 1 1 50 50 GLN HE21 H 1 6.831 0.020 . 2 . . . . 48 GLN HE21 . 19413 1 481 . 1 1 50 50 GLN HE22 H 1 7.286 0.020 . 2 . . . . 48 GLN HE22 . 19413 1 482 . 1 1 50 50 GLN CA C 13 57.729 0.200 . 1 . . . . 48 GLN CA . 19413 1 483 . 1 1 50 50 GLN CB C 13 29.010 0.200 . 1 . . . . 48 GLN CB . 19413 1 484 . 1 1 50 50 GLN CG C 13 34.036 0.200 . 1 . . . . 48 GLN CG . 19413 1 485 . 1 1 50 50 GLN N N 15 115.072 0.200 . 1 . . . . 48 GLN N . 19413 1 486 . 1 1 50 50 GLN NE2 N 15 111.301 0.200 . 1 . . . . 48 GLN NE2 . 19413 1 487 . 1 1 51 51 LYS H H 1 7.460 0.020 . 1 . . . . 49 LYS H . 19413 1 488 . 1 1 51 51 LYS HA H 1 4.422 0.020 . 1 . . . . 49 LYS HA . 19413 1 489 . 1 1 51 51 LYS HB2 H 1 2.015 0.020 . 2 . . . . 49 LYS HB2 . 19413 1 490 . 1 1 51 51 LYS HB3 H 1 1.814 0.020 . 2 . . . . 49 LYS HB3 . 19413 1 491 . 1 1 51 51 LYS HG2 H 1 1.516 0.020 . 2 . . . . 49 LYS QG . 19413 1 492 . 1 1 51 51 LYS HG3 H 1 1.516 0.020 . 2 . . . . 49 LYS QG . 19413 1 493 . 1 1 51 51 LYS HD2 H 1 1.593 0.020 . 2 . . . . 49 LYS HD2 . 19413 1 494 . 1 1 51 51 LYS HD3 H 1 1.657 0.020 . 2 . . . . 49 LYS HD3 . 19413 1 495 . 1 1 51 51 LYS CA C 13 54.805 0.200 . 1 . . . . 49 LYS CA . 19413 1 496 . 1 1 51 51 LYS CB C 13 33.648 0.200 . 1 . . . . 49 LYS CB . 19413 1 497 . 1 1 51 51 LYS CG C 13 25.402 0.200 . 1 . . . . 49 LYS CG . 19413 1 498 . 1 1 51 51 LYS CD C 13 28.347 0.200 . 1 . . . . 49 LYS CD . 19413 1 499 . 1 1 51 51 LYS N N 15 116.858 0.200 . 1 . . . . 49 LYS N . 19413 1 500 . 1 1 52 52 LEU H H 1 7.215 0.020 . 1 . . . . 50 LEU H . 19413 1 501 . 1 1 52 52 LEU HA H 1 4.399 0.020 . 1 . . . . 50 LEU HA . 19413 1 502 . 1 1 52 52 LEU HB2 H 1 1.871 0.020 . 2 . . . . 50 LEU HB2 . 19413 1 503 . 1 1 52 52 LEU HB3 H 1 1.313 0.020 . 2 . . . . 50 LEU HB3 . 19413 1 504 . 1 1 52 52 LEU HG H 1 2.252 0.020 . 1 . . . . 50 LEU HG . 19413 1 505 . 1 1 52 52 LEU HD11 H 1 0.875 0.020 . 1 . . . . 50 LEU QD1 . 19413 1 506 . 1 1 52 52 LEU HD12 H 1 0.875 0.020 . 1 . . . . 50 LEU QD1 . 19413 1 507 . 1 1 52 52 LEU HD13 H 1 0.875 0.020 . 1 . . . . 50 LEU QD1 . 19413 1 508 . 1 1 52 52 LEU HD21 H 1 0.797 0.020 . 1 . . . . 50 LEU QD2 . 19413 1 509 . 1 1 52 52 LEU HD22 H 1 0.797 0.020 . 1 . . . . 50 LEU QD2 . 19413 1 510 . 1 1 52 52 LEU HD23 H 1 0.797 0.020 . 1 . . . . 50 LEU QD2 . 19413 1 511 . 1 1 52 52 LEU CA C 13 52.928 0.200 . 1 . . . . 50 LEU CA . 19413 1 512 . 1 1 52 52 LEU CB C 13 40.954 0.200 . 1 . . . . 50 LEU CB . 19413 1 513 . 1 1 52 52 LEU CG C 13 25.173 0.200 . 1 . . . . 50 LEU CG . 19413 1 514 . 1 1 52 52 LEU CD1 C 13 26.024 0.200 . 1 . . . . 50 LEU CD1 . 19413 1 515 . 1 1 52 52 LEU CD2 C 13 23.303 0.200 . 1 . . . . 50 LEU CD2 . 19413 1 516 . 1 1 52 52 LEU N N 15 119.786 0.200 . 1 . . . . 50 LEU N . 19413 1 517 . 1 1 53 53 PRO HA H 1 4.476 0.020 . 1 . . . . 51 PRO HA . 19413 1 518 . 1 1 53 53 PRO HB2 H 1 2.436 0.020 . 2 . . . . 51 PRO HB2 . 19413 1 519 . 1 1 53 53 PRO HB3 H 1 1.755 0.020 . 2 . . . . 51 PRO HB3 . 19413 1 520 . 1 1 53 53 PRO HG2 H 1 2.048 0.020 . 2 . . . . 51 PRO QG . 19413 1 521 . 1 1 53 53 PRO HG3 H 1 2.048 0.020 . 2 . . . . 51 PRO QG . 19413 1 522 . 1 1 53 53 PRO HD2 H 1 3.840 0.020 . 2 . . . . 51 PRO HD2 . 19413 1 523 . 1 1 53 53 PRO HD3 H 1 3.483 0.020 . 2 . . . . 51 PRO HD3 . 19413 1 524 . 1 1 53 53 PRO CA C 13 62.272 0.200 . 1 . . . . 51 PRO CA . 19413 1 525 . 1 1 53 53 PRO CB C 13 31.454 0.200 . 1 . . . . 51 PRO CB . 19413 1 526 . 1 1 53 53 PRO CG C 13 27.782 0.200 . 1 . . . . 51 PRO CG . 19413 1 527 . 1 1 53 53 PRO CD C 13 49.988 0.200 . 1 . . . . 51 PRO CD . 19413 1 528 . 1 1 54 54 GLU H H 1 8.935 0.020 . 1 . . . . 52 GLU H . 19413 1 529 . 1 1 54 54 GLU HA H 1 4.100 0.020 . 1 . . . . 52 GLU HA . 19413 1 530 . 1 1 54 54 GLU HB2 H 1 2.061 0.020 . 2 . . . . 52 GLU HB2 . 19413 1 531 . 1 1 54 54 GLU HB3 H 1 1.983 0.020 . 2 . . . . 52 GLU HB3 . 19413 1 532 . 1 1 54 54 GLU HG2 H 1 2.324 0.020 . 2 . . . . 52 GLU QG . 19413 1 533 . 1 1 54 54 GLU HG3 H 1 2.324 0.020 . 2 . . . . 52 GLU QG . 19413 1 534 . 1 1 54 54 GLU CA C 13 58.115 0.200 . 1 . . . . 52 GLU CA . 19413 1 535 . 1 1 54 54 GLU CB C 13 29.336 0.200 . 1 . . . . 52 GLU CB . 19413 1 536 . 1 1 54 54 GLU CG C 13 35.798 0.200 . 1 . . . . 52 GLU CG . 19413 1 537 . 1 1 54 54 GLU N N 15 126.4 0.200 . 1 . . . . 52 GLU N . 19413 1 538 . 1 1 55 55 GLY H H 1 8.948 0.020 . 1 . . . . 53 GLY H . 19413 1 539 . 1 1 55 55 GLY HA2 H 1 4.292 0.020 . 2 . . . . 53 GLY HA2 . 19413 1 540 . 1 1 55 55 GLY HA3 H 1 3.722 0.020 . 2 . . . . 53 GLY HA3 . 19413 1 541 . 1 1 55 55 GLY CA C 13 44.846 0.200 . 1 . . . . 53 GLY CA . 19413 1 542 . 1 1 55 55 GLY N N 15 113.671 0.200 . 1 . . . . 53 GLY N . 19413 1 543 . 1 1 56 56 THR H H 1 7.696 0.020 . 1 . . . . 54 THR H . 19413 1 544 . 1 1 56 56 THR HA H 1 4.161 0.020 . 1 . . . . 54 THR HA . 19413 1 545 . 1 1 56 56 THR HB H 1 3.959 0.020 . 1 . . . . 54 THR HB . 19413 1 546 . 1 1 56 56 THR HG21 H 1 1.220 0.020 . 1 . . . . 54 THR QG2 . 19413 1 547 . 1 1 56 56 THR HG22 H 1 1.220 0.020 . 1 . . . . 54 THR QG2 . 19413 1 548 . 1 1 56 56 THR HG23 H 1 1.220 0.020 . 1 . . . . 54 THR QG2 . 19413 1 549 . 1 1 56 56 THR CA C 13 63.707 0.200 . 1 . . . . 54 THR CA . 19413 1 550 . 1 1 56 56 THR CB C 13 68.784 0.200 . 1 . . . . 54 THR CB . 19413 1 551 . 1 1 56 56 THR CG2 C 13 22.223 0.200 . 1 . . . . 54 THR CG2 . 19413 1 552 . 1 1 56 56 THR N N 15 118.129 0.200 . 1 . . . . 54 THR N . 19413 1 553 . 1 1 57 57 LYS H H 1 8.757 0.020 . 1 . . . . 55 LYS H . 19413 1 554 . 1 1 57 57 LYS HA H 1 4.375 0.020 . 1 . . . . 55 LYS HA . 19413 1 555 . 1 1 57 57 LYS HB2 H 1 1.856 0.020 . 2 . . . . 55 LYS HB2 . 19413 1 556 . 1 1 57 57 LYS HB3 H 1 1.903 0.020 . 2 . . . . 55 LYS HB3 . 19413 1 557 . 1 1 57 57 LYS HG2 H 1 1.425 0.020 . 2 . . . . 55 LYS QG . 19413 1 558 . 1 1 57 57 LYS HG3 H 1 1.425 0.020 . 2 . . . . 55 LYS QG . 19413 1 559 . 1 1 57 57 LYS HD2 H 1 1.681 0.020 . 2 . . . . 55 LYS QD . 19413 1 560 . 1 1 57 57 LYS HD3 H 1 1.681 0.020 . 2 . . . . 55 LYS QD . 19413 1 561 . 1 1 57 57 LYS CA C 13 55.835 0.200 . 1 . . . . 55 LYS CA . 19413 1 562 . 1 1 57 57 LYS CB C 13 33.448 0.200 . 1 . . . . 55 LYS CB . 19413 1 563 . 1 1 57 57 LYS CG C 13 24.714 0.200 . 1 . . . . 55 LYS CG . 19413 1 564 . 1 1 57 57 LYS CD C 13 28.795 0.200 . 1 . . . . 55 LYS CD . 19413 1 565 . 1 1 57 57 LYS N N 15 129.892 0.200 . 1 . . . . 55 LYS N . 19413 1 566 . 1 1 58 58 MET H H 1 8.512 0.020 . 1 . . . . 56 MET H . 19413 1 567 . 1 1 58 58 MET HA H 1 5.258 0.020 . 1 . . . . 56 MET HA . 19413 1 568 . 1 1 58 58 MET HB2 H 1 2.121 0.020 . 2 . . . . 56 MET HB2 . 19413 1 569 . 1 1 58 58 MET HB3 H 1 1.658 0.020 . 2 . . . . 56 MET HB3 . 19413 1 570 . 1 1 58 58 MET HG3 H 1 2.312 0.020 . 2 . . . . 56 MET HG3 . 19413 1 571 . 1 1 58 58 MET HE1 H 1 2.133 0.020 . 1 . . . . 56 MET QE . 19413 1 572 . 1 1 58 58 MET HE2 H 1 2.133 0.020 . 1 . . . . 56 MET QE . 19413 1 573 . 1 1 58 58 MET HE3 H 1 2.133 0.020 . 1 . . . . 56 MET QE . 19413 1 574 . 1 1 58 58 MET CA C 13 54.436 0.200 . 1 . . . . 56 MET CA . 19413 1 575 . 1 1 58 58 MET CB C 13 34.394 0.200 . 1 . . . . 56 MET CB . 19413 1 576 . 1 1 58 58 MET CG C 13 32.394 0.200 . 1 . . . . 56 MET CG . 19413 1 577 . 1 1 58 58 MET CE C 13 17.756 0.200 . 1 . . . . 56 MET CE . 19413 1 578 . 1 1 58 58 MET N N 15 125.391 0.200 . 1 . . . . 56 MET N . 19413 1 579 . 1 1 59 59 THR H H 1 8.830 0.020 . 1 . . . . 57 THR H . 19413 1 580 . 1 1 59 59 THR HA H 1 4.390 0.020 . 1 . . . . 57 THR HA . 19413 1 581 . 1 1 59 59 THR HB H 1 3.558 0.020 . 1 . . . . 57 THR HB . 19413 1 582 . 1 1 59 59 THR HG21 H 1 0.744 0.020 . 1 . . . . 57 THR QG2 . 19413 1 583 . 1 1 59 59 THR HG22 H 1 0.744 0.020 . 1 . . . . 57 THR QG2 . 19413 1 584 . 1 1 59 59 THR HG23 H 1 0.744 0.020 . 1 . . . . 57 THR QG2 . 19413 1 585 . 1 1 59 59 THR CA C 13 61.942 0.200 . 1 . . . . 57 THR CA . 19413 1 586 . 1 1 59 59 THR CB C 13 70.952 0.200 . 1 . . . . 57 THR CB . 19413 1 587 . 1 1 59 59 THR CG2 C 13 22.680 0.200 . 1 . . . . 57 THR CG2 . 19413 1 588 . 1 1 59 59 THR N N 15 124.711 0.200 . 1 . . . . 57 THR N . 19413 1 589 . 1 1 60 60 LYS H H 1 8.739 0.020 . 1 . . . . 58 LYS H . 19413 1 590 . 1 1 60 60 LYS HA H 1 5.282 0.020 . 1 . . . . 58 LYS HA . 19413 1 591 . 1 1 60 60 LYS HB2 H 1 1.916 0.020 . 2 . . . . 58 LYS QB . 19413 1 592 . 1 1 60 60 LYS HB3 H 1 1.916 0.020 . 2 . . . . 58 LYS QB . 19413 1 593 . 1 1 60 60 LYS HG2 H 1 1.205 0.020 . 2 . . . . 58 LYS QG . 19413 1 594 . 1 1 60 60 LYS HG3 H 1 1.205 0.020 . 2 . . . . 58 LYS QG . 19413 1 595 . 1 1 60 60 LYS CA C 13 54.501 0.200 . 1 . . . . 58 LYS CA . 19413 1 596 . 1 1 60 60 LYS CB C 13 35.417 0.200 . 1 . . . . 58 LYS CB . 19413 1 597 . 1 1 60 60 LYS CG C 13 25.107 0.200 . 1 . . . . 58 LYS CG . 19413 1 598 . 1 1 60 60 LYS N N 15 126.113 0.200 . 1 . . . . 58 LYS N . 19413 1 599 . 1 1 61 61 TYR H H 1 9.524 0.020 . 1 . . . . 59 TYR H . 19413 1 600 . 1 1 61 61 TYR HA H 1 5.626 0.020 . 1 . . . . 59 TYR HA . 19413 1 601 . 1 1 61 61 TYR HB2 H 1 3.249 0.020 . 2 . . . . 59 TYR HB2 . 19413 1 602 . 1 1 61 61 TYR HB3 H 1 2.773 0.020 . 2 . . . . 59 TYR HB3 . 19413 1 603 . 1 1 61 61 TYR HD1 H 1 7.123 0.020 . 3 . . . . 59 TYR QD . 19413 1 604 . 1 1 61 61 TYR HD2 H 1 7.123 0.020 . 3 . . . . 59 TYR QD . 19413 1 605 . 1 1 61 61 TYR HE1 H 1 6.661 0.020 . 3 . . . . 59 TYR QE . 19413 1 606 . 1 1 61 61 TYR HE2 H 1 6.661 0.020 . 3 . . . . 59 TYR QE . 19413 1 607 . 1 1 61 61 TYR CA C 13 51.825 0.200 . 1 . . . . 59 TYR CA . 19413 1 608 . 1 1 61 61 TYR CB C 13 40.685 0.200 . 1 . . . . 59 TYR CB . 19413 1 609 . 1 1 61 61 TYR CD1 C 13 130.870 0.200 . 3 . . . . 59 TYR CD1 . 19413 1 610 . 1 1 61 61 TYR CE1 C 13 118.012 0.200 . 3 . . . . 59 TYR CE1 . 19413 1 611 . 1 1 61 61 TYR N N 15 127.472 0.200 . 1 . . . . 59 TYR N . 19413 1 612 . 1 1 62 62 HIS H H 1 9.284 0.020 . 1 . . . . 60 HIS H . 19413 1 613 . 1 1 62 62 HIS HA H 1 4.384 0.020 . 1 . . . . 60 HIS HA . 19413 1 614 . 1 1 62 62 HIS HB2 H 1 2.924 0.020 . 2 . . . . 60 HIS HB2 . 19413 1 615 . 1 1 62 62 HIS HB3 H 1 2.504 0.020 . 2 . . . . 60 HIS HB3 . 19413 1 616 . 1 1 62 62 HIS CA C 13 55.467 0.200 . 1 . . . . 60 HIS CA . 19413 1 617 . 1 1 62 62 HIS CB C 13 30.819 0.200 . 1 . . . . 60 HIS CB . 19413 1 618 . 1 1 62 62 HIS N N 15 123.656 0.200 . 1 . . . . 60 HIS N . 19413 1 619 . 1 1 63 63 VAL H H 1 6.262 0.020 . 1 . . . . 61 VAL H . 19413 1 620 . 1 1 63 63 VAL HA H 1 4.737 0.020 . 1 . . . . 61 VAL HA . 19413 1 621 . 1 1 63 63 VAL HB H 1 1.622 0.020 . 1 . . . . 61 VAL HB . 19413 1 622 . 1 1 63 63 VAL HG11 H 1 0.789 0.020 . 1 . . . . 61 VAL QG1 . 19413 1 623 . 1 1 63 63 VAL HG12 H 1 0.789 0.020 . 1 . . . . 61 VAL QG1 . 19413 1 624 . 1 1 63 63 VAL HG13 H 1 0.789 0.020 . 1 . . . . 61 VAL QG1 . 19413 1 625 . 1 1 63 63 VAL HG21 H 1 -0.050 0.020 . 1 . . . . 61 VAL QG2 . 19413 1 626 . 1 1 63 63 VAL HG22 H 1 -0.050 0.020 . 1 . . . . 61 VAL QG2 . 19413 1 627 . 1 1 63 63 VAL HG23 H 1 -0.050 0.020 . 1 . . . . 61 VAL QG2 . 19413 1 628 . 1 1 63 63 VAL CA C 13 58.079 0.200 . 1 . . . . 61 VAL CA . 19413 1 629 . 1 1 63 63 VAL CB C 13 33.885 0.200 . 1 . . . . 61 VAL CB . 19413 1 630 . 1 1 63 63 VAL CG1 C 13 22.015 0.200 . 1 . . . . 61 VAL CG1 . 19413 1 631 . 1 1 63 63 VAL CG2 C 13 17.701 0.200 . 1 . . . . 61 VAL CG2 . 19413 1 632 . 1 1 63 63 VAL N N 15 112.397 0.200 . 1 . . . . 61 VAL N . 19413 1 633 . 1 1 64 64 GLU HA H 1 4.041 0.020 . 1 . . . . 62 GLU HA . 19413 1 634 . 1 1 64 64 GLU HB2 H 1 2.011 0.020 . 2 . . . . 62 GLU QB . 19413 1 635 . 1 1 64 64 GLU HB3 H 1 2.011 0.020 . 2 . . . . 62 GLU QB . 19413 1 636 . 1 1 64 64 GLU HG2 H 1 2.596 0.020 . 2 . . . . 62 GLU HG2 . 19413 1 637 . 1 1 64 64 GLU HG3 H 1 2.318 0.020 . 2 . . . . 62 GLU HG3 . 19413 1 638 . 1 1 64 64 GLU CA C 13 56.328 0.200 . 1 . . . . 62 GLU CA . 19413 1 639 . 1 1 64 64 GLU CB C 13 29.752 0.200 . 1 . . . . 62 GLU CB . 19413 1 640 . 1 1 64 64 GLU CG C 13 35.958 0.200 . 1 . . . . 62 GLU CG . 19413 1 641 . 1 1 65 65 PHE H H 1 6.419 0.020 . 1 . . . . 63 PHE H . 19413 1 642 . 1 1 65 65 PHE HA H 1 4.571 0.020 . 1 . . . . 63 PHE HA . 19413 1 643 . 1 1 65 65 PHE HB2 H 1 3.606 0.020 . 2 . . . . 63 PHE HB2 . 19413 1 644 . 1 1 65 65 PHE HB3 H 1 3.008 0.020 . 2 . . . . 63 PHE HB3 . 19413 1 645 . 1 1 65 65 PHE HD1 H 1 7.196 0.020 . 3 . . . . 63 PHE QD . 19413 1 646 . 1 1 65 65 PHE HD2 H 1 7.196 0.020 . 3 . . . . 63 PHE QD . 19413 1 647 . 1 1 65 65 PHE CA C 13 57.709 0.200 . 1 . . . . 63 PHE CA . 19413 1 648 . 1 1 65 65 PHE CB C 13 37.605 0.200 . 1 . . . . 63 PHE CB . 19413 1 649 . 1 1 65 65 PHE CD1 C 13 132.480 0.200 . 3 . . . . 63 PHE CD1 . 19413 1 650 . 1 1 65 65 PHE CD2 C 13 132.480 0.200 . 3 . . . . 63 PHE CD2 . 19413 1 651 . 1 1 65 65 PHE N N 15 111.215 0.200 . 1 . . . . 63 PHE N . 19413 1 652 . 1 1 66 66 LEU H H 1 6.396 0.020 . 1 . . . . 64 LEU H . 19413 1 653 . 1 1 66 66 LEU HA H 1 4.695 0.020 . 1 . . . . 64 LEU HA . 19413 1 654 . 1 1 66 66 LEU HB2 H 1 1.386 0.020 . 2 . . . . 64 LEU HB2 . 19413 1 655 . 1 1 66 66 LEU HB3 H 1 1.267 0.020 . 2 . . . . 64 LEU HB3 . 19413 1 656 . 1 1 66 66 LEU HG H 1 1.285 0.020 . 1 . . . . 64 LEU HG . 19413 1 657 . 1 1 66 66 LEU HD11 H 1 0.788 0.020 . 1 . . . . 64 LEU QD1 . 19413 1 658 . 1 1 66 66 LEU HD12 H 1 0.788 0.020 . 1 . . . . 64 LEU QD1 . 19413 1 659 . 1 1 66 66 LEU HD13 H 1 0.788 0.020 . 1 . . . . 64 LEU QD1 . 19413 1 660 . 1 1 66 66 LEU HD21 H 1 0.920 0.020 . 1 . . . . 64 LEU QD2 . 19413 1 661 . 1 1 66 66 LEU HD22 H 1 0.920 0.020 . 1 . . . . 64 LEU QD2 . 19413 1 662 . 1 1 66 66 LEU HD23 H 1 0.920 0.020 . 1 . . . . 64 LEU QD2 . 19413 1 663 . 1 1 66 66 LEU CA C 13 53.812 0.200 . 1 . . . . 64 LEU CA . 19413 1 664 . 1 1 66 66 LEU CB C 13 44.338 0.200 . 1 . . . . 64 LEU CB . 19413 1 665 . 1 1 66 66 LEU CG C 13 26.701 0.200 . 1 . . . . 64 LEU CG . 19413 1 666 . 1 1 66 66 LEU CD1 C 13 24.993 0.200 . 1 . . . . 64 LEU CD1 . 19413 1 667 . 1 1 66 66 LEU CD2 C 13 23.476 0.200 . 1 . . . . 64 LEU CD2 . 19413 1 668 . 1 1 66 66 LEU N N 15 119.701 0.200 . 1 . . . . 64 LEU N . 19413 1 669 . 1 1 67 67 GLY H H 1 8.084 0.020 . 1 . . . . 65 GLY H . 19413 1 670 . 1 1 67 67 GLY HA2 H 1 2.449 0.020 . 2 . . . . 65 GLY HA2 . 19413 1 671 . 1 1 67 67 GLY HA3 H 1 3.334 0.020 . 2 . . . . 65 GLY HA3 . 19413 1 672 . 1 1 67 67 GLY CA C 13 43.178 0.200 . 1 . . . . 65 GLY CA . 19413 1 673 . 1 1 67 67 GLY N N 15 108.957 0.200 . 1 . . . . 65 GLY N . 19413 1 674 . 1 1 68 68 PRO HA H 1 4.411 0.020 . 1 . . . . 66 PRO HA . 19413 1 675 . 1 1 68 68 PRO HB2 H 1 2.433 0.020 . 2 . . . . 66 PRO HB2 . 19413 1 676 . 1 1 68 68 PRO HB3 H 1 2.026 0.020 . 2 . . . . 66 PRO HB3 . 19413 1 677 . 1 1 68 68 PRO HG2 H 1 2.094 0.020 . 2 . . . . 66 PRO HG2 . 19413 1 678 . 1 1 68 68 PRO HG3 H 1 2.151 0.020 . 2 . . . . 66 PRO HG3 . 19413 1 679 . 1 1 68 68 PRO HD2 H 1 3.319 0.020 . 2 . . . . 66 PRO HD2 . 19413 1 680 . 1 1 68 68 PRO HD3 H 1 3.487 0.020 . 2 . . . . 66 PRO HD3 . 19413 1 681 . 1 1 68 68 PRO CA C 13 64.995 0.200 . 1 . . . . 66 PRO CA . 19413 1 682 . 1 1 68 68 PRO CB C 13 31.791 0.200 . 1 . . . . 66 PRO CB . 19413 1 683 . 1 1 68 68 PRO CG C 13 27.788 0.200 . 1 . . . . 66 PRO CG . 19413 1 684 . 1 1 68 68 PRO CD C 13 49.999 0.200 . 1 . . . . 66 PRO CD . 19413 1 685 . 1 1 69 69 LEU H H 1 7.484 0.020 . 1 . . . . 67 LEU H . 19413 1 686 . 1 1 69 69 LEU HA H 1 5.467 0.020 . 1 . . . . 67 LEU HA . 19413 1 687 . 1 1 69 69 LEU HB2 H 1 2.087 0.020 . 2 . . . . 67 LEU HB2 . 19413 1 688 . 1 1 69 69 LEU HB3 H 1 1.903 0.020 . 2 . . . . 67 LEU HB3 . 19413 1 689 . 1 1 69 69 LEU HG H 1 1.575 0.020 . 1 . . . . 67 LEU HG . 19413 1 690 . 1 1 69 69 LEU HD11 H 1 0.602 0.020 . 1 . . . . 67 LEU QD1 . 19413 1 691 . 1 1 69 69 LEU HD12 H 1 0.602 0.020 . 1 . . . . 67 LEU QD1 . 19413 1 692 . 1 1 69 69 LEU HD13 H 1 0.602 0.020 . 1 . . . . 67 LEU QD1 . 19413 1 693 . 1 1 69 69 LEU HD21 H 1 0.884 0.020 . 1 . . . . 67 LEU QD2 . 19413 1 694 . 1 1 69 69 LEU HD22 H 1 0.884 0.020 . 1 . . . . 67 LEU QD2 . 19413 1 695 . 1 1 69 69 LEU HD23 H 1 0.884 0.020 . 1 . . . . 67 LEU QD2 . 19413 1 696 . 1 1 69 69 LEU CA C 13 52.893 0.200 . 1 . . . . 67 LEU CA . 19413 1 697 . 1 1 69 69 LEU CB C 13 40.438 0.200 . 1 . . . . 67 LEU CB . 19413 1 698 . 1 1 69 69 LEU CG C 13 26.551 0.200 . 1 . . . . 67 LEU CG . 19413 1 699 . 1 1 69 69 LEU CD1 C 13 26.219 0.200 . 1 . . . . 67 LEU CD1 . 19413 1 700 . 1 1 69 69 LEU CD2 C 13 23.069 0.200 . 1 . . . . 67 LEU CD2 . 19413 1 701 . 1 1 69 69 LEU N N 15 114.479 0.200 . 1 . . . . 67 LEU N . 19413 1 702 . 1 1 70 70 GLY H H 1 7.659 0.020 . 1 . . . . 68 GLY H . 19413 1 703 . 1 1 70 70 GLY HA2 H 1 4.281 0.020 . 2 . . . . 68 GLY HA2 . 19413 1 704 . 1 1 70 70 GLY HA3 H 1 3.959 0.020 . 2 . . . . 68 GLY HA3 . 19413 1 705 . 1 1 70 70 GLY CA C 13 49.507 0.200 . 1 . . . . 68 GLY CA . 19413 1 706 . 1 1 70 70 GLY N N 15 108.957 0.200 . 1 . . . . 68 GLY N . 19413 1 707 . 1 1 71 71 LYS H H 1 9.149 0.020 . 1 . . . . 69 LYS H . 19413 1 708 . 1 1 71 71 LYS HA H 1 4.046 0.020 . 1 . . . . 69 LYS HA . 19413 1 709 . 1 1 71 71 LYS HB2 H 1 2.021 0.020 . 2 . . . . 69 LYS HB2 . 19413 1 710 . 1 1 71 71 LYS HB3 H 1 1.955 0.020 . 2 . . . . 69 LYS HB3 . 19413 1 711 . 1 1 71 71 LYS HG2 H 1 1.541 0.020 . 2 . . . . 69 LYS HG2 . 19413 1 712 . 1 1 71 71 LYS HG3 H 1 1.448 0.020 . 2 . . . . 69 LYS HG3 . 19413 1 713 . 1 1 71 71 LYS HD2 H 1 1.740 0.020 . 2 . . . . 69 LYS HD2 . 19413 1 714 . 1 1 71 71 LYS HD3 H 1 1.706 0.020 . 2 . . . . 69 LYS HD3 . 19413 1 715 . 1 1 71 71 LYS CA C 13 61.036 0.200 . 1 . . . . 69 LYS CA . 19413 1 716 . 1 1 71 71 LYS CB C 13 31.592 0.200 . 1 . . . . 69 LYS CB . 19413 1 717 . 1 1 71 71 LYS CG C 13 25.117 0.200 . 1 . . . . 69 LYS CG . 19413 1 718 . 1 1 71 71 LYS CD C 13 28.946 0.200 . 1 . . . . 69 LYS CD . 19413 1 719 . 1 1 71 71 LYS N N 15 124.459 0.200 . 1 . . . . 69 LYS N . 19413 1 720 . 1 1 72 72 ASP H H 1 8.519 0.020 . 1 . . . . 70 ASP H . 19413 1 721 . 1 1 72 72 ASP HA H 1 4.715 0.020 . 1 . . . . 70 ASP HA . 19413 1 722 . 1 1 72 72 ASP HB2 H 1 2.740 0.020 . 2 . . . . 70 ASP HB2 . 19413 1 723 . 1 1 72 72 ASP HB3 H 1 2.573 0.020 . 2 . . . . 70 ASP HB3 . 19413 1 724 . 1 1 72 72 ASP CA C 13 57.895 0.200 . 1 . . . . 70 ASP CA . 19413 1 725 . 1 1 72 72 ASP CB C 13 42.157 0.200 . 1 . . . . 70 ASP CB . 19413 1 726 . 1 1 72 72 ASP N N 15 122.631 0.200 . 1 . . . . 70 ASP N . 19413 1 727 . 1 1 73 73 LEU H H 1 9.421 0.020 . 1 . . . . 71 LEU H . 19413 1 728 . 1 1 73 73 LEU HA H 1 4.237 0.020 . 1 . . . . 71 LEU HA . 19413 1 729 . 1 1 73 73 LEU HB2 H 1 2.007 0.020 . 2 . . . . 71 LEU HB2 . 19413 1 730 . 1 1 73 73 LEU HB3 H 1 1.156 0.020 . 2 . . . . 71 LEU HB3 . 19413 1 731 . 1 1 73 73 LEU HG H 1 1.733 0.020 . 1 . . . . 71 LEU HG . 19413 1 732 . 1 1 73 73 LEU HD11 H 1 0.855 0.020 . 1 . . . . 71 LEU QD1 . 19413 1 733 . 1 1 73 73 LEU HD12 H 1 0.855 0.020 . 1 . . . . 71 LEU QD1 . 19413 1 734 . 1 1 73 73 LEU HD13 H 1 0.855 0.020 . 1 . . . . 71 LEU QD1 . 19413 1 735 . 1 1 73 73 LEU HD21 H 1 0.821 0.020 . 1 . . . . 71 LEU QD2 . 19413 1 736 . 1 1 73 73 LEU HD22 H 1 0.821 0.020 . 1 . . . . 71 LEU QD2 . 19413 1 737 . 1 1 73 73 LEU HD23 H 1 0.821 0.020 . 1 . . . . 71 LEU QD2 . 19413 1 738 . 1 1 73 73 LEU CA C 13 57.277 0.200 . 1 . . . . 71 LEU CA . 19413 1 739 . 1 1 73 73 LEU CB C 13 43.077 0.200 . 1 . . . . 71 LEU CB . 19413 1 740 . 1 1 73 73 LEU CG C 13 27.808 0.200 . 1 . . . . 71 LEU CG . 19413 1 741 . 1 1 73 73 LEU CD1 C 13 27.300 0.200 . 1 . . . . 71 LEU CD1 . 19413 1 742 . 1 1 73 73 LEU CD2 C 13 23.824 0.200 . 1 . . . . 71 LEU CD2 . 19413 1 743 . 1 1 73 73 LEU N N 15 119.276 0.200 . 1 . . . . 71 LEU N . 19413 1 744 . 1 1 74 74 THR H H 1 7.762 0.020 . 1 . . . . 72 THR H . 19413 1 745 . 1 1 74 74 THR HA H 1 4.033 0.020 . 1 . . . . 72 THR HA . 19413 1 746 . 1 1 74 74 THR HB H 1 4.607 0.020 . 1 . . . . 72 THR HB . 19413 1 747 . 1 1 74 74 THR HG21 H 1 1.343 0.020 . 1 . . . . 72 THR QG2 . 19413 1 748 . 1 1 74 74 THR HG22 H 1 1.343 0.020 . 1 . . . . 72 THR QG2 . 19413 1 749 . 1 1 74 74 THR HG23 H 1 1.343 0.020 . 1 . . . . 72 THR QG2 . 19413 1 750 . 1 1 74 74 THR CA C 13 67.403 0.200 . 1 . . . . 72 THR CA . 19413 1 751 . 1 1 74 74 THR CB C 13 68.170 0.200 . 1 . . . . 72 THR CB . 19413 1 752 . 1 1 74 74 THR CG2 C 13 20.170 0.200 . 1 . . . . 72 THR CG2 . 19413 1 753 . 1 1 74 74 THR N N 15 119.204 0.200 . 1 . . . . 72 THR N . 19413 1 754 . 1 1 75 75 GLN H H 1 7.822 0.020 . 1 . . . . 73 GLN H . 19413 1 755 . 1 1 75 75 GLN HA H 1 3.663 0.020 . 1 . . . . 73 GLN HA . 19413 1 756 . 1 1 75 75 GLN HB2 H 1 1.858 0.020 . 2 . . . . 73 GLN HB2 . 19413 1 757 . 1 1 75 75 GLN HB3 H 1 1.804 0.020 . 2 . . . . 73 GLN HB3 . 19413 1 758 . 1 1 75 75 GLN HG2 H 1 0.427 0.020 . 2 . . . . 73 GLN HG2 . 19413 1 759 . 1 1 75 75 GLN HG3 H 1 1.259 0.020 . 2 . . . . 73 GLN HG3 . 19413 1 760 . 1 1 75 75 GLN HE21 H 1 5.239 0.020 . 2 . . . . 73 GLN HE21 . 19413 1 761 . 1 1 75 75 GLN HE22 H 1 5.884 0.020 . 2 . . . . 73 GLN HE22 . 19413 1 762 . 1 1 75 75 GLN CA C 13 59.403 0.200 . 1 . . . . 73 GLN CA . 19413 1 763 . 1 1 75 75 GLN CB C 13 25.559 0.200 . 1 . . . . 73 GLN CB . 19413 1 764 . 1 1 75 75 GLN CG C 13 31.000 0.200 . 1 . . . . 73 GLN CG . 19413 1 765 . 1 1 75 75 GLN N N 15 125.845 0.200 . 1 . . . . 73 GLN N . 19413 1 766 . 1 1 75 75 GLN NE2 N 15 108.623 0.200 . 1 . . . . 73 GLN NE2 . 19413 1 767 . 1 1 76 76 ALA H H 1 8.966 0.020 . 1 . . . . 74 ALA H . 19413 1 768 . 1 1 76 76 ALA HA H 1 4.133 0.020 . 1 . . . . 74 ALA HA . 19413 1 769 . 1 1 76 76 ALA HB1 H 1 1.914 0.020 . 1 . . . . 74 ALA QB . 19413 1 770 . 1 1 76 76 ALA HB2 H 1 1.914 0.020 . 1 . . . . 74 ALA QB . 19413 1 771 . 1 1 76 76 ALA HB3 H 1 1.914 0.020 . 1 . . . . 74 ALA QB . 19413 1 772 . 1 1 76 76 ALA CA C 13 54.904 0.200 . 1 . . . . 74 ALA CA . 19413 1 773 . 1 1 76 76 ALA CB C 13 19.150 0.200 . 1 . . . . 74 ALA CB . 19413 1 774 . 1 1 76 76 ALA N N 15 123.013 0.200 . 1 . . . . 74 ALA N . 19413 1 775 . 1 1 77 77 TRP H H 1 8.932 0.020 . 1 . . . . 75 TRP H . 19413 1 776 . 1 1 77 77 TRP HA H 1 4.899 0.020 . 1 . . . . 75 TRP HA . 19413 1 777 . 1 1 77 77 TRP HB2 H 1 3.579 0.020 . 2 . . . . 75 TRP HB2 . 19413 1 778 . 1 1 77 77 TRP HB3 H 1 3.427 0.020 . 2 . . . . 75 TRP HB3 . 19413 1 779 . 1 1 77 77 TRP HD1 H 1 7.919 0.020 . 1 . . . . 75 TRP HD1 . 19413 1 780 . 1 1 77 77 TRP HE1 H 1 10.510 0.020 . 1 . . . . 75 TRP HE1 . 19413 1 781 . 1 1 77 77 TRP HE3 H 1 7.681 0.020 . 1 . . . . 75 TRP HE3 . 19413 1 782 . 1 1 77 77 TRP HZ2 H 1 7.446 0.020 . 1 . . . . 75 TRP HZ2 . 19413 1 783 . 1 1 77 77 TRP HZ3 H 1 7.344 0.020 . 1 . . . . 75 TRP HZ3 . 19413 1 784 . 1 1 77 77 TRP HH2 H 1 7.234 0.020 . 1 . . . . 75 TRP HH2 . 19413 1 785 . 1 1 77 77 TRP CA C 13 59.072 0.200 . 1 . . . . 75 TRP CA . 19413 1 786 . 1 1 77 77 TRP CB C 13 29.591 0.200 . 1 . . . . 75 TRP CB . 19413 1 787 . 1 1 77 77 TRP CD1 C 13 127.682 0.200 . 1 . . . . 75 TRP CD1 . 19413 1 788 . 1 1 77 77 TRP CE3 C 13 119.758 0.200 . 1 . . . . 75 TRP CE3 . 19413 1 789 . 1 1 77 77 TRP CZ2 C 13 114.584 0.200 . 1 . . . . 75 TRP CZ2 . 19413 1 790 . 1 1 77 77 TRP CZ3 C 13 121.888 0.200 . 1 . . . . 75 TRP CZ3 . 19413 1 791 . 1 1 77 77 TRP CH2 C 13 124.632 0.200 . 1 . . . . 75 TRP CH2 . 19413 1 792 . 1 1 77 77 TRP N N 15 120.717 0.200 . 1 . . . . 75 TRP N . 19413 1 793 . 1 1 77 77 TRP NE1 N 15 128.598 0.200 . 1 . . . . 75 TRP NE1 . 19413 1 794 . 1 1 78 78 ALA H H 1 7.650 0.020 . 1 . . . . 76 ALA H . 19413 1 795 . 1 1 78 78 ALA HA H 1 3.975 0.020 . 1 . . . . 76 ALA HA . 19413 1 796 . 1 1 78 78 ALA HB1 H 1 1.554 0.020 . 1 . . . . 76 ALA QB . 19413 1 797 . 1 1 78 78 ALA HB2 H 1 1.554 0.020 . 1 . . . . 76 ALA QB . 19413 1 798 . 1 1 78 78 ALA HB3 H 1 1.554 0.020 . 1 . . . . 76 ALA QB . 19413 1 799 . 1 1 78 78 ALA CA C 13 54.878 0.200 . 1 . . . . 76 ALA CA . 19413 1 800 . 1 1 78 78 ALA CB C 13 20.165 0.200 . 1 . . . . 76 ALA CB . 19413 1 801 . 1 1 78 78 ALA N N 15 119.394 0.200 . 1 . . . . 76 ALA N . 19413 1 802 . 1 1 79 79 VAL H H 1 8.074 0.020 . 1 . . . . 77 VAL H . 19413 1 803 . 1 1 79 79 VAL HA H 1 3.224 0.020 . 1 . . . . 77 VAL HA . 19413 1 804 . 1 1 79 79 VAL HB H 1 2.587 0.020 . 1 . . . . 77 VAL HB . 19413 1 805 . 1 1 79 79 VAL HG11 H 1 0.667 0.020 . 1 . . . . 77 VAL QG1 . 19413 1 806 . 1 1 79 79 VAL HG12 H 1 0.667 0.020 . 1 . . . . 77 VAL QG1 . 19413 1 807 . 1 1 79 79 VAL HG13 H 1 0.667 0.020 . 1 . . . . 77 VAL QG1 . 19413 1 808 . 1 1 79 79 VAL HG21 H 1 0.793 0.020 . 1 . . . . 77 VAL QG2 . 19413 1 809 . 1 1 79 79 VAL HG22 H 1 0.793 0.020 . 1 . . . . 77 VAL QG2 . 19413 1 810 . 1 1 79 79 VAL HG23 H 1 0.793 0.020 . 1 . . . . 77 VAL QG2 . 19413 1 811 . 1 1 79 79 VAL CA C 13 66.908 0.200 . 1 . . . . 77 VAL CA . 19413 1 812 . 1 1 79 79 VAL CB C 13 30.117 0.200 . 1 . . . . 77 VAL CB . 19413 1 813 . 1 1 79 79 VAL CG1 C 13 22.295 0.200 . 1 . . . . 77 VAL CG1 . 19413 1 814 . 1 1 79 79 VAL CG2 C 13 23.881 0.200 . 1 . . . . 77 VAL CG2 . 19413 1 815 . 1 1 79 79 VAL N N 15 119.658 0.200 . 1 . . . . 77 VAL N . 19413 1 816 . 1 1 80 80 ALA H H 1 8.421 0.020 . 1 . . . . 78 ALA H . 19413 1 817 . 1 1 80 80 ALA HA H 1 4.024 0.020 . 1 . . . . 78 ALA HA . 19413 1 818 . 1 1 80 80 ALA HB1 H 1 1.247 0.020 . 1 . . . . 78 ALA QB . 19413 1 819 . 1 1 80 80 ALA HB2 H 1 1.247 0.020 . 1 . . . . 78 ALA QB . 19413 1 820 . 1 1 80 80 ALA HB3 H 1 1.247 0.020 . 1 . . . . 78 ALA QB . 19413 1 821 . 1 1 80 80 ALA CA C 13 54.841 0.200 . 1 . . . . 78 ALA CA . 19413 1 822 . 1 1 80 80 ALA CB C 13 17.499 0.200 . 1 . . . . 78 ALA CB . 19413 1 823 . 1 1 80 80 ALA N N 15 121.951 0.200 . 1 . . . . 78 ALA N . 19413 1 824 . 1 1 81 81 ILE H H 1 8.122 0.020 . 1 . . . . 79 ILE H . 19413 1 825 . 1 1 81 81 ILE HA H 1 3.616 0.020 . 1 . . . . 79 ILE HA . 19413 1 826 . 1 1 81 81 ILE HB H 1 1.762 0.020 . 1 . . . . 79 ILE HB . 19413 1 827 . 1 1 81 81 ILE HG12 H 1 1.072 0.020 . 2 . . . . 79 ILE HG12 . 19413 1 828 . 1 1 81 81 ILE HG13 H 1 0.816 0.020 . 2 . . . . 79 ILE HG13 . 19413 1 829 . 1 1 81 81 ILE HG21 H 1 0.881 0.020 . 1 . . . . 79 ILE QG2 . 19413 1 830 . 1 1 81 81 ILE HG22 H 1 0.881 0.020 . 1 . . . . 79 ILE QG2 . 19413 1 831 . 1 1 81 81 ILE HG23 H 1 0.881 0.020 . 1 . . . . 79 ILE QG2 . 19413 1 832 . 1 1 81 81 ILE HD11 H 1 0.956 0.020 . 1 . . . . 79 ILE QD1 . 19413 1 833 . 1 1 81 81 ILE HD12 H 1 0.956 0.020 . 1 . . . . 79 ILE QD1 . 19413 1 834 . 1 1 81 81 ILE HD13 H 1 0.956 0.020 . 1 . . . . 79 ILE QD1 . 19413 1 835 . 1 1 81 81 ILE CA C 13 63.984 0.200 . 1 . . . . 79 ILE CA . 19413 1 836 . 1 1 81 81 ILE CB C 13 38.196 0.200 . 1 . . . . 79 ILE CB . 19413 1 837 . 1 1 81 81 ILE CG1 C 13 27.233 0.200 . 1 . . . . 79 ILE CG1 . 19413 1 838 . 1 1 81 81 ILE CG2 C 13 17.232 0.200 . 1 . . . . 79 ILE CG2 . 19413 1 839 . 1 1 81 81 ILE CD1 C 13 13.126 0.200 . 1 . . . . 79 ILE CD1 . 19413 1 840 . 1 1 81 81 ILE N N 15 118.384 0.200 . 1 . . . . 79 ILE N . 19413 1 841 . 1 1 82 82 ALA H H 1 8.694 0.020 . 1 . . . . 80 ALA H . 19413 1 842 . 1 1 82 82 ALA HA H 1 3.978 0.020 . 1 . . . . 80 ALA HA . 19413 1 843 . 1 1 82 82 ALA HB1 H 1 1.324 0.020 . 1 . . . . 80 ALA QB . 19413 1 844 . 1 1 82 82 ALA HB2 H 1 1.324 0.020 . 1 . . . . 80 ALA QB . 19413 1 845 . 1 1 82 82 ALA HB3 H 1 1.324 0.020 . 1 . . . . 80 ALA QB . 19413 1 846 . 1 1 82 82 ALA CA C 13 54.915 0.200 . 1 . . . . 80 ALA CA . 19413 1 847 . 1 1 82 82 ALA CB C 13 18.105 0.200 . 1 . . . . 80 ALA CB . 19413 1 848 . 1 1 82 82 ALA N N 15 124.708 0.200 . 1 . . . . 80 ALA N . 19413 1 849 . 1 1 83 83 LEU H H 1 8.469 0.020 . 1 . . . . 81 LEU H . 19413 1 850 . 1 1 83 83 LEU HA H 1 4.380 0.020 . 1 . . . . 81 LEU HA . 19413 1 851 . 1 1 83 83 LEU HB2 H 1 1.862 0.020 . 2 . . . . 81 LEU HB2 . 19413 1 852 . 1 1 83 83 LEU HB3 H 1 1.694 0.020 . 2 . . . . 81 LEU HB3 . 19413 1 853 . 1 1 83 83 LEU HG H 1 1.824 0.020 . 1 . . . . 81 LEU HG . 19413 1 854 . 1 1 83 83 LEU HD11 H 1 0.866 0.020 . 1 . . . . 81 LEU QD1 . 19413 1 855 . 1 1 83 83 LEU HD12 H 1 0.866 0.020 . 1 . . . . 81 LEU QD1 . 19413 1 856 . 1 1 83 83 LEU HD13 H 1 0.866 0.020 . 1 . . . . 81 LEU QD1 . 19413 1 857 . 1 1 83 83 LEU HD21 H 1 0.860 0.020 . 1 . . . . 81 LEU QD2 . 19413 1 858 . 1 1 83 83 LEU HD22 H 1 0.860 0.020 . 1 . . . . 81 LEU QD2 . 19413 1 859 . 1 1 83 83 LEU HD23 H 1 0.860 0.020 . 1 . . . . 81 LEU QD2 . 19413 1 860 . 1 1 83 83 LEU CA C 13 54.582 0.200 . 1 . . . . 81 LEU CA . 19413 1 861 . 1 1 83 83 LEU CB C 13 43.212 0.200 . 1 . . . . 81 LEU CB . 19413 1 862 . 1 1 83 83 LEU CG C 13 26.577 0.200 . 1 . . . . 81 LEU CG . 19413 1 863 . 1 1 83 83 LEU CD1 C 13 21.710 0.200 . 1 . . . . 81 LEU CD1 . 19413 1 864 . 1 1 83 83 LEU CD2 C 13 21.771 0.200 . 1 . . . . 81 LEU CD2 . 19413 1 865 . 1 1 83 83 LEU N N 15 114.303 0.200 . 1 . . . . 81 LEU N . 19413 1 866 . 1 1 84 84 GLY H H 1 7.955 0.020 . 1 . . . . 82 GLY H . 19413 1 867 . 1 1 84 84 GLY HA2 H 1 4.390 0.020 . 2 . . . . 82 GLY HA2 . 19413 1 868 . 1 1 84 84 GLY HA3 H 1 4.020 0.020 . 2 . . . . 82 GLY HA3 . 19413 1 869 . 1 1 84 84 GLY CA C 13 46.958 0.200 . 1 . . . . 82 GLY CA . 19413 1 870 . 1 1 84 84 GLY N N 15 112.196 0.200 . 1 . . . . 82 GLY N . 19413 1 871 . 1 1 85 85 VAL H H 1 8.267 0.020 . 1 . . . . 83 VAL H . 19413 1 872 . 1 1 85 85 VAL HA H 1 4.921 0.020 . 1 . . . . 83 VAL HA . 19413 1 873 . 1 1 85 85 VAL HB H 1 2.522 0.020 . 1 . . . . 83 VAL HB . 19413 1 874 . 1 1 85 85 VAL HG11 H 1 0.911 0.020 . 1 . . . . 83 VAL QG1 . 19413 1 875 . 1 1 85 85 VAL HG12 H 1 0.911 0.020 . 1 . . . . 83 VAL QG1 . 19413 1 876 . 1 1 85 85 VAL HG13 H 1 0.911 0.020 . 1 . . . . 83 VAL QG1 . 19413 1 877 . 1 1 85 85 VAL HG21 H 1 0.940 0.020 . 1 . . . . 83 VAL QG2 . 19413 1 878 . 1 1 85 85 VAL HG22 H 1 0.940 0.020 . 1 . . . . 83 VAL QG2 . 19413 1 879 . 1 1 85 85 VAL HG23 H 1 0.940 0.020 . 1 . . . . 83 VAL QG2 . 19413 1 880 . 1 1 85 85 VAL CA C 13 59.182 0.200 . 1 . . . . 83 VAL CA . 19413 1 881 . 1 1 85 85 VAL CB C 13 31.441 0.200 . 1 . . . . 83 VAL CB . 19413 1 882 . 1 1 85 85 VAL CG1 C 13 20.517 0.200 . 1 . . . . 83 VAL CG1 . 19413 1 883 . 1 1 85 85 VAL CG2 C 13 19.222 0.200 . 1 . . . . 83 VAL CG2 . 19413 1 884 . 1 1 85 85 VAL N N 15 109.426 0.200 . 1 . . . . 83 VAL N . 19413 1 885 . 1 1 86 86 GLU H H 1 10.566 0.020 . 1 . . . . 84 GLU H . 19413 1 886 . 1 1 86 86 GLU HA H 1 3.584 0.020 . 1 . . . . 84 GLU HA . 19413 1 887 . 1 1 86 86 GLU HB2 H 1 2.065 0.020 . 2 . . . . 84 GLU HB2 . 19413 1 888 . 1 1 86 86 GLU HB3 H 1 1.836 0.020 . 2 . . . . 84 GLU HB3 . 19413 1 889 . 1 1 86 86 GLU HG2 H 1 2.009 0.020 . 2 . . . . 84 GLU HG2 . 19413 1 890 . 1 1 86 86 GLU HG3 H 1 1.487 0.020 . 2 . . . . 84 GLU HG3 . 19413 1 891 . 1 1 86 86 GLU CA C 13 61.356 0.200 . 1 . . . . 84 GLU CA . 19413 1 892 . 1 1 86 86 GLU CB C 13 28.970 0.200 . 1 . . . . 84 GLU CB . 19413 1 893 . 1 1 86 86 GLU CG C 13 35.919 0.200 . 1 . . . . 84 GLU CG . 19413 1 894 . 1 1 86 86 GLU N N 15 127.081 0.200 . 1 . . . . 84 GLU N . 19413 1 895 . 1 1 87 87 ASP H H 1 8.946 0.020 . 1 . . . . 85 ASP H . 19413 1 896 . 1 1 87 87 ASP HA H 1 4.587 0.020 . 1 . . . . 85 ASP HA . 19413 1 897 . 1 1 87 87 ASP HB2 H 1 2.718 0.020 . 2 . . . . 85 ASP HB2 . 19413 1 898 . 1 1 87 87 ASP HB3 H 1 2.807 0.020 . 2 . . . . 85 ASP HB3 . 19413 1 899 . 1 1 87 87 ASP CA C 13 56.279 0.200 . 1 . . . . 85 ASP CA . 19413 1 900 . 1 1 87 87 ASP CB C 13 39.732 0.200 . 1 . . . . 85 ASP CB . 19413 1 901 . 1 1 87 87 ASP N N 15 117.467 0.200 . 1 . . . . 85 ASP N . 19413 1 902 . 1 1 88 88 LYS H H 1 7.745 0.020 . 1 . . . . 86 LYS H . 19413 1 903 . 1 1 88 88 LYS HA H 1 4.419 0.020 . 1 . . . . 86 LYS HA . 19413 1 904 . 1 1 88 88 LYS HB2 H 1 1.895 0.020 . 2 . . . . 86 LYS QB . 19413 1 905 . 1 1 88 88 LYS HB3 H 1 1.895 0.020 . 2 . . . . 86 LYS QB . 19413 1 906 . 1 1 88 88 LYS HG2 H 1 1.506 0.020 . 2 . . . . 86 LYS HG2 . 19413 1 907 . 1 1 88 88 LYS HG3 H 1 1.576 0.020 . 2 . . . . 86 LYS HG3 . 19413 1 908 . 1 1 88 88 LYS HD2 H 1 1.728 0.020 . 2 . . . . 86 LYS HD2 . 19413 1 909 . 1 1 88 88 LYS HD3 H 1 1.658 0.020 . 2 . . . . 86 LYS HD3 . 19413 1 910 . 1 1 88 88 LYS CA C 13 57.179 0.200 . 1 . . . . 86 LYS CA . 19413 1 911 . 1 1 88 88 LYS CB C 13 33.426 0.200 . 1 . . . . 86 LYS CB . 19413 1 912 . 1 1 88 88 LYS CG C 13 24.736 0.200 . 1 . . . . 86 LYS CG . 19413 1 913 . 1 1 88 88 LYS CD C 13 28.845 0.200 . 1 . . . . 86 LYS CD . 19413 1 914 . 1 1 88 88 LYS N N 15 119.121 0.200 . 1 . . . . 86 LYS N . 19413 1 915 . 1 1 89 89 ILE H H 1 7.343 0.020 . 1 . . . . 87 ILE H . 19413 1 916 . 1 1 89 89 ILE HA H 1 4.238 0.020 . 1 . . . . 87 ILE HA . 19413 1 917 . 1 1 89 89 ILE HB H 1 1.549 0.020 . 1 . . . . 87 ILE HB . 19413 1 918 . 1 1 89 89 ILE HG12 H 1 1.300 0.020 . 2 . . . . 87 ILE HG12 . 19413 1 919 . 1 1 89 89 ILE HG13 H 1 0.680 0.020 . 2 . . . . 87 ILE HG13 . 19413 1 920 . 1 1 89 89 ILE HG21 H 1 0.356 0.020 . 1 . . . . 87 ILE QG2 . 19413 1 921 . 1 1 89 89 ILE HG22 H 1 0.356 0.020 . 1 . . . . 87 ILE QG2 . 19413 1 922 . 1 1 89 89 ILE HG23 H 1 0.356 0.020 . 1 . . . . 87 ILE QG2 . 19413 1 923 . 1 1 89 89 ILE HD11 H 1 0.667 0.020 . 1 . . . . 87 ILE QD1 . 19413 1 924 . 1 1 89 89 ILE HD12 H 1 0.667 0.020 . 1 . . . . 87 ILE QD1 . 19413 1 925 . 1 1 89 89 ILE HD13 H 1 0.667 0.020 . 1 . . . . 87 ILE QD1 . 19413 1 926 . 1 1 89 89 ILE CA C 13 59.320 0.200 . 1 . . . . 87 ILE CA . 19413 1 927 . 1 1 89 89 ILE CB C 13 40.000 0.200 . 1 . . . . 87 ILE CB . 19413 1 928 . 1 1 89 89 ILE CG1 C 13 26.999 0.200 . 1 . . . . 87 ILE CG1 . 19413 1 929 . 1 1 89 89 ILE CG2 C 13 20.462 0.200 . 1 . . . . 87 ILE CG2 . 19413 1 930 . 1 1 89 89 ILE CD1 C 13 14.273 0.200 . 1 . . . . 87 ILE CD1 . 19413 1 931 . 1 1 89 89 ILE N N 15 108.193 0.200 . 1 . . . . 87 ILE N . 19413 1 932 . 1 1 90 90 THR H H 1 7.746 0.020 . 1 . . . . 88 THR H . 19413 1 933 . 1 1 90 90 THR HA H 1 4.053 0.020 . 1 . . . . 88 THR HA . 19413 1 934 . 1 1 90 90 THR HB H 1 4.516 0.020 . 1 . . . . 88 THR HB . 19413 1 935 . 1 1 90 90 THR HG21 H 1 1.463 0.020 . 1 . . . . 88 THR QG2 . 19413 1 936 . 1 1 90 90 THR HG22 H 1 1.463 0.020 . 1 . . . . 88 THR QG2 . 19413 1 937 . 1 1 90 90 THR HG23 H 1 1.463 0.020 . 1 . . . . 88 THR QG2 . 19413 1 938 . 1 1 90 90 THR CA C 13 69.780 0.200 . 1 . . . . 88 THR CA . 19413 1 939 . 1 1 90 90 THR CB C 13 68.491 0.200 . 1 . . . . 88 THR CB . 19413 1 940 . 1 1 90 90 THR CG2 C 13 21.525 0.200 . 1 . . . . 88 THR CG2 . 19413 1 941 . 1 1 90 90 THR N N 15 119.455 0.200 . 1 . . . . 88 THR N . 19413 1 942 . 1 1 91 91 ALA H H 1 9.125 0.020 . 1 . . . . 89 ALA H . 19413 1 943 . 1 1 91 91 ALA HA H 1 4.600 0.020 . 1 . . . . 89 ALA HA . 19413 1 944 . 1 1 91 91 ALA HB1 H 1 1.644 0.020 . 1 . . . . 89 ALA QB . 19413 1 945 . 1 1 91 91 ALA HB2 H 1 1.644 0.020 . 1 . . . . 89 ALA QB . 19413 1 946 . 1 1 91 91 ALA HB3 H 1 1.644 0.020 . 1 . . . . 89 ALA QB . 19413 1 947 . 1 1 91 91 ALA CA C 13 57.291 0.200 . 1 . . . . 89 ALA CA . 19413 1 948 . 1 1 91 91 ALA CB C 13 15.197 0.200 . 1 . . . . 89 ALA CB . 19413 1 949 . 1 1 91 91 ALA N N 15 123.122 0.200 . 1 . . . . 89 ALA N . 19413 1 950 . 1 1 92 92 PRO HA H 1 4.416 0.020 . 1 . . . . 90 PRO HA . 19413 1 951 . 1 1 92 92 PRO HB2 H 1 2.384 0.020 . 2 . . . . 90 PRO HB2 . 19413 1 952 . 1 1 92 92 PRO HB3 H 1 1.745 0.020 . 2 . . . . 90 PRO HB3 . 19413 1 953 . 1 1 92 92 PRO HG2 H 1 2.095 0.020 . 2 . . . . 90 PRO QG . 19413 1 954 . 1 1 92 92 PRO HG3 H 1 2.095 0.020 . 2 . . . . 90 PRO QG . 19413 1 955 . 1 1 92 92 PRO HD2 H 1 3.628 0.020 . 2 . . . . 90 PRO HD2 . 19413 1 956 . 1 1 92 92 PRO HD3 H 1 3.699 0.020 . 2 . . . . 90 PRO HD3 . 19413 1 957 . 1 1 92 92 PRO CA C 13 65.221 0.200 . 1 . . . . 90 PRO CA . 19413 1 958 . 1 1 92 92 PRO CB C 13 31.411 0.200 . 1 . . . . 90 PRO CB . 19413 1 959 . 1 1 92 92 PRO CG C 13 27.900 0.200 . 1 . . . . 90 PRO CG . 19413 1 960 . 1 1 92 92 PRO CD C 13 49.935 0.200 . 1 . . . . 90 PRO CD . 19413 1 961 . 1 1 93 93 MET H H 1 8.176 0.020 . 1 . . . . 91 MET H . 19413 1 962 . 1 1 93 93 MET HA H 1 4.370 0.020 . 1 . . . . 91 MET HA . 19413 1 963 . 1 1 93 93 MET HB2 H 1 1.605 0.020 . 2 . . . . 91 MET HB2 . 19413 1 964 . 1 1 93 93 MET HB3 H 1 1.334 0.020 . 2 . . . . 91 MET HB3 . 19413 1 965 . 1 1 93 93 MET HG2 H 1 0.929 0.020 . 2 . . . . 91 MET QG . 19413 1 966 . 1 1 93 93 MET HG3 H 1 0.929 0.020 . 2 . . . . 91 MET QG . 19413 1 967 . 1 1 93 93 MET HE1 H 1 1.827 0.020 . 1 . . . . 91 MET QE . 19413 1 968 . 1 1 93 93 MET HE2 H 1 1.827 0.020 . 1 . . . . 91 MET QE . 19413 1 969 . 1 1 93 93 MET HE3 H 1 1.827 0.020 . 1 . . . . 91 MET QE . 19413 1 970 . 1 1 93 93 MET CA C 13 56.901 0.200 . 1 . . . . 91 MET CA . 19413 1 971 . 1 1 93 93 MET CB C 13 30.059 0.200 . 1 . . . . 91 MET CB . 19413 1 972 . 1 1 93 93 MET CG C 13 30.778 0.200 . 1 . . . . 91 MET CG . 19413 1 973 . 1 1 93 93 MET CE C 13 17.845 0.200 . 1 . . . . 91 MET CE . 19413 1 974 . 1 1 93 93 MET N N 15 119.468 0.200 . 1 . . . . 91 MET N . 19413 1 975 . 1 1 94 94 PHE H H 1 8.650 0.020 . 1 . . . . 92 PHE H . 19413 1 976 . 1 1 94 94 PHE HA H 1 4.518 0.020 . 1 . . . . 92 PHE HA . 19413 1 977 . 1 1 94 94 PHE HB2 H 1 3.472 0.020 . 2 . . . . 92 PHE HB2 . 19413 1 978 . 1 1 94 94 PHE HB3 H 1 3.063 0.020 . 2 . . . . 92 PHE HB3 . 19413 1 979 . 1 1 94 94 PHE HD1 H 1 7.720 0.020 . 3 . . . . 92 PHE QD . 19413 1 980 . 1 1 94 94 PHE HD2 H 1 7.720 0.020 . 3 . . . . 92 PHE QD . 19413 1 981 . 1 1 94 94 PHE HE1 H 1 7.300 0.020 . 3 . . . . 92 PHE QE . 19413 1 982 . 1 1 94 94 PHE HE2 H 1 7.300 0.020 . 3 . . . . 92 PHE QE . 19413 1 983 . 1 1 94 94 PHE CA C 13 63.883 0.200 . 1 . . . . 92 PHE CA . 19413 1 984 . 1 1 94 94 PHE CB C 13 39.324 0.200 . 1 . . . . 92 PHE CB . 19413 1 985 . 1 1 94 94 PHE CD1 C 13 132.587 0.200 . 3 . . . . 92 PHE CD1 . 19413 1 986 . 1 1 94 94 PHE CD2 C 13 132.590 0.200 . 3 . . . . 92 PHE CD2 . 19413 1 987 . 1 1 94 94 PHE CE1 C 13 131.075 0.200 . 3 . . . . 92 PHE CE1 . 19413 1 988 . 1 1 94 94 PHE CE2 C 13 131.070 0.200 . 3 . . . . 92 PHE CE2 . 19413 1 989 . 1 1 94 94 PHE N N 15 120.72 0.200 . 1 . . . . 92 PHE N . 19413 1 990 . 1 1 95 95 GLU H H 1 8.240 0.020 . 1 . . . . 93 GLU H . 19413 1 991 . 1 1 95 95 GLU HA H 1 4.066 0.020 . 1 . . . . 93 GLU HA . 19413 1 992 . 1 1 95 95 GLU HB2 H 1 2.205 0.020 . 2 . . . . 93 GLU QB . 19413 1 993 . 1 1 95 95 GLU HB3 H 1 2.205 0.020 . 2 . . . . 93 GLU QB . 19413 1 994 . 1 1 95 95 GLU HG2 H 1 2.415 0.020 . 2 . . . . 93 GLU QG . 19413 1 995 . 1 1 95 95 GLU HG3 H 1 2.415 0.020 . 2 . . . . 93 GLU QG . 19413 1 996 . 1 1 95 95 GLU CA C 13 59.403 0.200 . 1 . . . . 93 GLU CA . 19413 1 997 . 1 1 95 95 GLU CB C 13 29.642 0.200 . 1 . . . . 93 GLU CB . 19413 1 998 . 1 1 95 95 GLU CG C 13 36.025 0.200 . 1 . . . . 93 GLU CG . 19413 1 999 . 1 1 95 95 GLU N N 15 117.705 0.200 . 1 . . . . 93 GLU N . 19413 1 1000 . 1 1 96 96 ALA H H 1 8.431 0.020 . 1 . . . . 94 ALA H . 19413 1 1001 . 1 1 96 96 ALA HA H 1 4.451 0.020 . 1 . . . . 94 ALA HA . 19413 1 1002 . 1 1 96 96 ALA HB1 H 1 1.361 0.020 . 1 . . . . 94 ALA QB . 19413 1 1003 . 1 1 96 96 ALA HB2 H 1 1.361 0.020 . 1 . . . . 94 ALA QB . 19413 1 1004 . 1 1 96 96 ALA HB3 H 1 1.361 0.020 . 1 . . . . 94 ALA QB . 19413 1 1005 . 1 1 96 96 ALA CA C 13 53.995 0.200 . 1 . . . . 94 ALA CA . 19413 1 1006 . 1 1 96 96 ALA CB C 13 19.003 0.200 . 1 . . . . 94 ALA CB . 19413 1 1007 . 1 1 96 96 ALA N N 15 123.067 0.200 . 1 . . . . 94 ALA N . 19413 1 1008 . 1 1 97 97 VAL H H 1 8.467 0.020 . 1 . . . . 95 VAL H . 19413 1 1009 . 1 1 97 97 VAL HA H 1 3.722 0.020 . 1 . . . . 95 VAL HA . 19413 1 1010 . 1 1 97 97 VAL HB H 1 1.901 0.020 . 1 . . . . 95 VAL HB . 19413 1 1011 . 1 1 97 97 VAL HG11 H 1 0.227 0.020 . 1 . . . . 95 VAL QG1 . 19413 1 1012 . 1 1 97 97 VAL HG12 H 1 0.227 0.020 . 1 . . . . 95 VAL QG1 . 19413 1 1013 . 1 1 97 97 VAL HG13 H 1 0.227 0.020 . 1 . . . . 95 VAL QG1 . 19413 1 1014 . 1 1 97 97 VAL HG21 H 1 0.634 0.020 . 1 . . . . 95 VAL QG2 . 19413 1 1015 . 1 1 97 97 VAL HG22 H 1 0.634 0.020 . 1 . . . . 95 VAL QG2 . 19413 1 1016 . 1 1 97 97 VAL HG23 H 1 0.634 0.020 . 1 . . . . 95 VAL QG2 . 19413 1 1017 . 1 1 97 97 VAL CA C 13 65.804 0.200 . 1 . . . . 95 VAL CA . 19413 1 1018 . 1 1 97 97 VAL CB C 13 31.739 0.200 . 1 . . . . 95 VAL CB . 19413 1 1019 . 1 1 97 97 VAL CG1 C 13 22.379 0.200 . 1 . . . . 95 VAL CG1 . 19413 1 1020 . 1 1 97 97 VAL CG2 C 13 23.469 0.200 . 1 . . . . 95 VAL CG2 . 19413 1 1021 . 1 1 97 97 VAL N N 15 115.582 0.200 . 1 . . . . 95 VAL N . 19413 1 1022 . 1 1 98 98 GLN H H 1 8.184 0.020 . 1 . . . . 96 GLN H . 19413 1 1023 . 1 1 98 98 GLN HA H 1 4.551 0.020 . 1 . . . . 96 GLN HA . 19413 1 1024 . 1 1 98 98 GLN HB2 H 1 2.245 0.020 . 2 . . . . 96 GLN HB2 . 19413 1 1025 . 1 1 98 98 GLN HB3 H 1 2.105 0.020 . 2 . . . . 96 GLN HB3 . 19413 1 1026 . 1 1 98 98 GLN HG2 H 1 2.504 0.020 . 2 . . . . 96 GLN HG2 . 19413 1 1027 . 1 1 98 98 GLN HG3 H 1 2.829 0.020 . 2 . . . . 96 GLN HG3 . 19413 1 1028 . 1 1 98 98 GLN HE21 H 1 6.122 0.020 . 2 . . . . 96 GLN HE21 . 19413 1 1029 . 1 1 98 98 GLN HE22 H 1 7.957 0.020 . 2 . . . . 96 GLN HE22 . 19413 1 1030 . 1 1 98 98 GLN CA C 13 58.226 0.200 . 1 . . . . 96 GLN CA . 19413 1 1031 . 1 1 98 98 GLN CB C 13 30.679 0.200 . 1 . . . . 96 GLN CB . 19413 1 1032 . 1 1 98 98 GLN CG C 13 34.910 0.200 . 1 . . . . 96 GLN CG . 19413 1 1033 . 1 1 98 98 GLN N N 15 113.295 0.200 . 1 . . . . 96 GLN N . 19413 1 1034 . 1 1 98 98 GLN NE2 N 15 108.599 0.200 . 1 . . . . 96 GLN NE2 . 19413 1 1035 . 1 1 99 99 LYS H H 1 8.231 0.020 . 1 . . . . 97 LYS H . 19413 1 1036 . 1 1 99 99 LYS HA H 1 4.687 0.020 . 1 . . . . 97 LYS HA . 19413 1 1037 . 1 1 99 99 LYS HB2 H 1 2.255 0.020 . 2 . . . . 97 LYS HB2 . 19413 1 1038 . 1 1 99 99 LYS HB3 H 1 2.075 0.020 . 2 . . . . 97 LYS HB3 . 19413 1 1039 . 1 1 99 99 LYS HG2 H 1 1.298 0.020 . 2 . . . . 97 LYS HG2 . 19413 1 1040 . 1 1 99 99 LYS HG3 H 1 1.551 0.020 . 2 . . . . 97 LYS HG3 . 19413 1 1041 . 1 1 99 99 LYS HD2 H 1 1.551 0.020 . 2 . . . . 97 LYS HD2 . 19413 1 1042 . 1 1 99 99 LYS HD3 H 1 1.599 0.020 . 2 . . . . 97 LYS HD3 . 19413 1 1043 . 1 1 99 99 LYS HE2 H 1 2.715 0.020 . 2 . . . . 97 LYS HE2 . 19413 1 1044 . 1 1 99 99 LYS HE3 H 1 2.600 0.020 . 2 . . . . 97 LYS HE3 . 19413 1 1045 . 1 1 99 99 LYS CA C 13 57.159 0.200 . 1 . . . . 97 LYS CA . 19413 1 1046 . 1 1 99 99 LYS CB C 13 32.542 0.200 . 1 . . . . 97 LYS CB . 19413 1 1047 . 1 1 99 99 LYS CG C 13 24.093 0.200 . 1 . . . . 97 LYS CG . 19413 1 1048 . 1 1 99 99 LYS CD C 13 28.392 0.200 . 1 . . . . 97 LYS CD . 19413 1 1049 . 1 1 99 99 LYS CE C 13 41.541 0.200 . 1 . . . . 97 LYS CE . 19413 1 1050 . 1 1 99 99 LYS N N 15 118.621 0.200 . 1 . . . . 97 LYS N . 19413 1 1051 . 1 1 100 100 THR H H 1 8.612 0.020 . 1 . . . . 98 THR H . 19413 1 1052 . 1 1 100 100 THR HA H 1 4.285 0.020 . 1 . . . . 98 THR HA . 19413 1 1053 . 1 1 100 100 THR HB H 1 4.357 0.020 . 1 . . . . 98 THR HB . 19413 1 1054 . 1 1 100 100 THR HG21 H 1 1.252 0.020 . 1 . . . . 98 THR QG2 . 19413 1 1055 . 1 1 100 100 THR HG22 H 1 1.252 0.020 . 1 . . . . 98 THR QG2 . 19413 1 1056 . 1 1 100 100 THR HG23 H 1 1.252 0.020 . 1 . . . . 98 THR QG2 . 19413 1 1057 . 1 1 100 100 THR CA C 13 62.420 0.200 . 1 . . . . 98 THR CA . 19413 1 1058 . 1 1 100 100 THR CB C 13 68.343 0.200 . 1 . . . . 98 THR CB . 19413 1 1059 . 1 1 100 100 THR CG2 C 13 22.540 0.200 . 1 . . . . 98 THR CG2 . 19413 1 1060 . 1 1 100 100 THR N N 15 110.486 0.200 . 1 . . . . 98 THR N . 19413 1 1061 . 1 1 101 101 GLN H H 1 6.979 0.020 . 1 . . . . 99 GLN H . 19413 1 1062 . 1 1 101 101 GLN HA H 1 4.185 0.020 . 1 . . . . 99 GLN HA . 19413 1 1063 . 1 1 101 101 GLN HB2 H 1 2.162 0.020 . 2 . . . . 99 GLN HB2 . 19413 1 1064 . 1 1 101 101 GLN HB3 H 1 2.204 0.020 . 2 . . . . 99 GLN HB3 . 19413 1 1065 . 1 1 101 101 GLN HG2 H 1 2.008 0.020 . 2 . . . . 99 GLN HG2 . 19413 1 1066 . 1 1 101 101 GLN HG3 H 1 2.229 0.020 . 2 . . . . 99 GLN HG3 . 19413 1 1067 . 1 1 101 101 GLN CA C 13 56.986 0.200 . 1 . . . . 99 GLN CA . 19413 1 1068 . 1 1 101 101 GLN CB C 13 25.623 0.200 . 1 . . . . 99 GLN CB . 19413 1 1069 . 1 1 101 101 GLN CG C 13 34.388 0.200 . 1 . . . . 99 GLN CG . 19413 1 1070 . 1 1 101 101 GLN N N 15 115.751 0.200 . 1 . . . . 99 GLN N . 19413 1 1071 . 1 1 102 102 THR H H 1 8.362 0.020 . 1 . . . . 100 THR H . 19413 1 1072 . 1 1 102 102 THR HA H 1 4.350 0.020 . 1 . . . . 100 THR HA . 19413 1 1073 . 1 1 102 102 THR HB H 1 4.399 0.020 . 1 . . . . 100 THR HB . 19413 1 1074 . 1 1 102 102 THR HG21 H 1 1.168 0.020 . 1 . . . . 100 THR QG2 . 19413 1 1075 . 1 1 102 102 THR HG22 H 1 1.168 0.020 . 1 . . . . 100 THR QG2 . 19413 1 1076 . 1 1 102 102 THR HG23 H 1 1.168 0.020 . 1 . . . . 100 THR QG2 . 19413 1 1077 . 1 1 102 102 THR CA C 13 61.035 0.200 . 1 . . . . 100 THR CA . 19413 1 1078 . 1 1 102 102 THR CB C 13 68.306 0.200 . 1 . . . . 100 THR CB . 19413 1 1079 . 1 1 102 102 THR CG2 C 13 22.225 0.200 . 1 . . . . 100 THR CG2 . 19413 1 1080 . 1 1 102 102 THR N N 15 108.66 0.200 . 1 . . . . 100 THR N . 19413 1 1081 . 1 1 103 103 VAL H H 1 7.376 0.020 . 1 . . . . 101 VAL H . 19413 1 1082 . 1 1 103 103 VAL HA H 1 4.193 0.020 . 1 . . . . 101 VAL HA . 19413 1 1083 . 1 1 103 103 VAL HB H 1 1.759 0.020 . 1 . . . . 101 VAL HB . 19413 1 1084 . 1 1 103 103 VAL HG11 H 1 0.720 0.020 . 1 . . . . 101 VAL QG1 . 19413 1 1085 . 1 1 103 103 VAL HG12 H 1 0.720 0.020 . 1 . . . . 101 VAL QG1 . 19413 1 1086 . 1 1 103 103 VAL HG13 H 1 0.720 0.020 . 1 . . . . 101 VAL QG1 . 19413 1 1087 . 1 1 103 103 VAL HG21 H 1 0.656 0.020 . 1 . . . . 101 VAL QG2 . 19413 1 1088 . 1 1 103 103 VAL HG22 H 1 0.656 0.020 . 1 . . . . 101 VAL QG2 . 19413 1 1089 . 1 1 103 103 VAL HG23 H 1 0.656 0.020 . 1 . . . . 101 VAL QG2 . 19413 1 1090 . 1 1 103 103 VAL CA C 13 61.967 0.200 . 1 . . . . 101 VAL CA . 19413 1 1091 . 1 1 103 103 VAL CB C 13 31.349 0.200 . 1 . . . . 101 VAL CB . 19413 1 1092 . 1 1 103 103 VAL CG1 C 13 21.689 0.200 . 1 . . . . 101 VAL CG1 . 19413 1 1093 . 1 1 103 103 VAL CG2 C 13 22.159 0.200 . 1 . . . . 101 VAL CG2 . 19413 1 1094 . 1 1 103 103 VAL N N 15 121.417 0.200 . 1 . . . . 101 VAL N . 19413 1 1095 . 1 1 104 104 GLN H H 1 9.583 0.020 . 1 . . . . 102 GLN H . 19413 1 1096 . 1 1 104 104 GLN HA H 1 4.564 0.020 . 1 . . . . 102 GLN HA . 19413 1 1097 . 1 1 104 104 GLN HB2 H 1 2.368 0.020 . 2 . . . . 102 GLN HB2 . 19413 1 1098 . 1 1 104 104 GLN HB3 H 1 1.914 0.020 . 2 . . . . 102 GLN HB3 . 19413 1 1099 . 1 1 104 104 GLN HG2 H 1 2.379 0.020 . 2 . . . . 102 GLN HG2 . 19413 1 1100 . 1 1 104 104 GLN HG3 H 1 2.195 0.020 . 2 . . . . 102 GLN HG3 . 19413 1 1101 . 1 1 104 104 GLN CA C 13 55.116 0.200 . 1 . . . . 102 GLN CA . 19413 1 1102 . 1 1 104 104 GLN CB C 13 30.768 0.200 . 1 . . . . 102 GLN CB . 19413 1 1103 . 1 1 104 104 GLN CG C 13 33.297 0.200 . 1 . . . . 102 GLN CG . 19413 1 1104 . 1 1 104 104 GLN N N 15 127.472 0.200 . 1 . . . . 102 GLN N . 19413 1 1105 . 1 1 105 105 SER H H 1 8.539 0.020 . 1 . . . . 103 SER H . 19413 1 1106 . 1 1 105 105 SER HA H 1 4.883 0.020 . 1 . . . . 103 SER HA . 19413 1 1107 . 1 1 105 105 SER HB2 H 1 4.156 0.020 . 2 . . . . 103 SER HB2 . 19413 1 1108 . 1 1 105 105 SER HB3 H 1 3.945 0.020 . 2 . . . . 103 SER HB3 . 19413 1 1109 . 1 1 105 105 SER CA C 13 56.423 0.200 . 1 . . . . 103 SER CA . 19413 1 1110 . 1 1 105 105 SER CB C 13 66.834 0.200 . 1 . . . . 103 SER CB . 19413 1 1111 . 1 1 105 105 SER N N 15 116.698 0.200 . 1 . . . . 103 SER N . 19413 1 1112 . 1 1 106 106 VAL H H 1 8.929 0.020 . 1 . . . . 104 VAL H . 19413 1 1113 . 1 1 106 106 VAL HA H 1 3.740 0.020 . 1 . . . . 104 VAL HA . 19413 1 1114 . 1 1 106 106 VAL HB H 1 2.083 0.020 . 1 . . . . 104 VAL HB . 19413 1 1115 . 1 1 106 106 VAL HG11 H 1 0.882 0.020 . 2 . . . . 104 VAL QG1 . 19413 1 1116 . 1 1 106 106 VAL HG12 H 1 0.882 0.020 . 2 . . . . 104 VAL QG1 . 19413 1 1117 . 1 1 106 106 VAL HG13 H 1 0.882 0.020 . 2 . . . . 104 VAL QG1 . 19413 1 1118 . 1 1 106 106 VAL HG21 H 1 0.990 0.020 . 2 . . . . 104 VAL QG2 . 19413 1 1119 . 1 1 106 106 VAL HG22 H 1 0.990 0.020 . 2 . . . . 104 VAL QG2 . 19413 1 1120 . 1 1 106 106 VAL HG23 H 1 0.990 0.020 . 2 . . . . 104 VAL QG2 . 19413 1 1121 . 1 1 106 106 VAL CA C 13 65.756 0.200 . 1 . . . . 104 VAL CA . 19413 1 1122 . 1 1 106 106 VAL CB C 13 30.929 0.200 . 1 . . . . 104 VAL CB . 19413 1 1123 . 1 1 106 106 VAL CG1 C 13 20.932 0.200 . 2 . . . . 104 VAL CG1 . 19413 1 1124 . 1 1 106 106 VAL CG2 C 13 22.170 0.200 . 2 . . . . 104 VAL CG2 . 19413 1 1125 . 1 1 106 106 VAL N N 15 120.375 0.200 . 1 . . . . 104 VAL N . 19413 1 1126 . 1 1 107 107 ALA H H 1 8.099 0.020 . 1 . . . . 105 ALA H . 19413 1 1127 . 1 1 107 107 ALA HA H 1 4.000 0.020 . 1 . . . . 105 ALA HA . 19413 1 1128 . 1 1 107 107 ALA HB1 H 1 1.340 0.020 . 1 . . . . 105 ALA QB . 19413 1 1129 . 1 1 107 107 ALA HB2 H 1 1.340 0.020 . 1 . . . . 105 ALA QB . 19413 1 1130 . 1 1 107 107 ALA HB3 H 1 1.340 0.020 . 1 . . . . 105 ALA QB . 19413 1 1131 . 1 1 107 107 ALA CA C 13 54.906 0.200 . 1 . . . . 105 ALA CA . 19413 1 1132 . 1 1 107 107 ALA CB C 13 18.053 0.200 . 1 . . . . 105 ALA CB . 19413 1 1133 . 1 1 107 107 ALA N N 15 125.255 0.200 . 1 . . . . 105 ALA N . 19413 1 1134 . 1 1 108 108 ASP H H 1 7.603 0.020 . 1 . . . . 106 ASP H . 19413 1 1135 . 1 1 108 108 ASP HA H 1 4.375 0.020 . 1 . . . . 106 ASP HA . 19413 1 1136 . 1 1 108 108 ASP HB2 H 1 3.157 0.020 . 2 . . . . 106 ASP HB2 . 19413 1 1137 . 1 1 108 108 ASP HB3 H 1 3.057 0.020 . 2 . . . . 106 ASP HB3 . 19413 1 1138 . 1 1 108 108 ASP CA C 13 56.664 0.200 . 1 . . . . 106 ASP CA . 19413 1 1139 . 1 1 108 108 ASP CB C 13 42.767 0.200 . 1 . . . . 106 ASP CB . 19413 1 1140 . 1 1 108 108 ASP N N 15 118.317 0.200 . 1 . . . . 106 ASP N . 19413 1 1141 . 1 1 109 109 ILE H H 1 7.342 0.020 . 1 . . . . 107 ILE H . 19413 1 1142 . 1 1 109 109 ILE HA H 1 3.331 0.020 . 1 . . . . 107 ILE HA . 19413 1 1143 . 1 1 109 109 ILE HB H 1 1.957 0.020 . 1 . . . . 107 ILE HB . 19413 1 1144 . 1 1 109 109 ILE HG12 H 1 1.896 0.020 . 2 . . . . 107 ILE HG12 . 19413 1 1145 . 1 1 109 109 ILE HG13 H 1 0.677 0.020 . 2 . . . . 107 ILE HG13 . 19413 1 1146 . 1 1 109 109 ILE HG21 H 1 1.038 0.020 . 1 . . . . 107 ILE QG2 . 19413 1 1147 . 1 1 109 109 ILE HG22 H 1 1.038 0.020 . 1 . . . . 107 ILE QG2 . 19413 1 1148 . 1 1 109 109 ILE HG23 H 1 1.038 0.020 . 1 . . . . 107 ILE QG2 . 19413 1 1149 . 1 1 109 109 ILE HD11 H 1 0.910 0.020 . 1 . . . . 107 ILE QD1 . 19413 1 1150 . 1 1 109 109 ILE HD12 H 1 0.910 0.020 . 1 . . . . 107 ILE QD1 . 19413 1 1151 . 1 1 109 109 ILE HD13 H 1 0.910 0.020 . 1 . . . . 107 ILE QD1 . 19413 1 1152 . 1 1 109 109 ILE CA C 13 65.609 0.200 . 1 . . . . 107 ILE CA . 19413 1 1153 . 1 1 109 109 ILE CB C 13 37.890 0.200 . 1 . . . . 107 ILE CB . 19413 1 1154 . 1 1 109 109 ILE CG1 C 13 28.931 0.200 . 1 . . . . 107 ILE CG1 . 19413 1 1155 . 1 1 109 109 ILE CG2 C 13 18.152 0.200 . 1 . . . . 107 ILE CG2 . 19413 1 1156 . 1 1 109 109 ILE CD1 C 13 14.792 0.200 . 1 . . . . 107 ILE CD1 . 19413 1 1157 . 1 1 109 109 ILE N N 15 120.21 0.200 . 1 . . . . 107 ILE N . 19413 1 1158 . 1 1 110 110 ARG H H 1 6.677 0.020 . 1 . . . . 108 ARG H . 19413 1 1159 . 1 1 110 110 ARG HA H 1 2.797 0.020 . 1 . . . . 108 ARG HA . 19413 1 1160 . 1 1 110 110 ARG HB2 H 1 1.460 0.020 . 2 . . . . 108 ARG HB2 . 19413 1 1161 . 1 1 110 110 ARG HB3 H 1 1.317 0.020 . 2 . . . . 108 ARG HB3 . 19413 1 1162 . 1 1 110 110 ARG HG2 H 1 1.300 0.020 . 2 . . . . 108 ARG HG2 . 19413 1 1163 . 1 1 110 110 ARG HG3 H 1 0.362 0.020 . 2 . . . . 108 ARG HG3 . 19413 1 1164 . 1 1 110 110 ARG HD2 H 1 2.698 0.020 . 2 . . . . 108 ARG HD2 . 19413 1 1165 . 1 1 110 110 ARG HD3 H 1 2.946 0.020 . 2 . . . . 108 ARG HD3 . 19413 1 1166 . 1 1 110 110 ARG HE H 1 9.183 0.020 . 1 . . . . 108 ARG HE . 19413 1 1167 . 1 1 110 110 ARG CA C 13 58.656 0.200 . 1 . . . . 108 ARG CA . 19413 1 1168 . 1 1 110 110 ARG CB C 13 29.842 0.200 . 1 . . . . 108 ARG CB . 19413 1 1169 . 1 1 110 110 ARG CG C 13 26.605 0.200 . 1 . . . . 108 ARG CG . 19413 1 1170 . 1 1 110 110 ARG CD C 13 43.452 0.200 . 1 . . . . 108 ARG CD . 19413 1 1171 . 1 1 110 110 ARG N N 15 119.234 0.200 . 1 . . . . 108 ARG N . 19413 1 1172 . 1 1 110 110 ARG NE N 15 87.9 0.200 . 1 . . . . 108 ARG NE . 19413 1 1173 . 1 1 110 110 ARG NH1 N 15 76.607 0.200 . 2 . . . . 108 ARG NH1 . 19413 1 1174 . 1 1 111 111 LYS H H 1 7.164 0.020 . 1 . . . . 109 LYS H . 19413 1 1175 . 1 1 111 111 LYS HA H 1 3.846 0.020 . 1 . . . . 109 LYS HA . 19413 1 1176 . 1 1 111 111 LYS HB2 H 1 2.009 0.020 . 2 . . . . 109 LYS HB2 . 19413 1 1177 . 1 1 111 111 LYS HB3 H 1 1.801 0.020 . 2 . . . . 109 LYS HB3 . 19413 1 1178 . 1 1 111 111 LYS HG2 H 1 1.444 0.020 . 2 . . . . 109 LYS QG . 19413 1 1179 . 1 1 111 111 LYS HG3 H 1 1.444 0.020 . 2 . . . . 109 LYS QG . 19413 1 1180 . 1 1 111 111 LYS CA C 13 59.219 0.200 . 1 . . . . 109 LYS CA . 19413 1 1181 . 1 1 111 111 LYS CB C 13 31.974 0.200 . 1 . . . . 109 LYS CB . 19413 1 1182 . 1 1 111 111 LYS CG C 13 24.664 0.200 . 1 . . . . 109 LYS CG . 19413 1 1183 . 1 1 111 111 LYS N N 15 117.662 0.200 . 1 . . . . 109 LYS N . 19413 1 1184 . 1 1 112 112 VAL H H 1 7.269 0.020 . 1 . . . . 110 VAL H . 19413 1 1185 . 1 1 112 112 VAL HA H 1 3.641 0.020 . 1 . . . . 110 VAL HA . 19413 1 1186 . 1 1 112 112 VAL HB H 1 2.214 0.020 . 1 . . . . 110 VAL HB . 19413 1 1187 . 1 1 112 112 VAL HG11 H 1 0.706 0.020 . 1 . . . . 110 VAL QG1 . 19413 1 1188 . 1 1 112 112 VAL HG12 H 1 0.706 0.020 . 1 . . . . 110 VAL QG1 . 19413 1 1189 . 1 1 112 112 VAL HG13 H 1 0.706 0.020 . 1 . . . . 110 VAL QG1 . 19413 1 1190 . 1 1 112 112 VAL HG21 H 1 0.967 0.020 . 1 . . . . 110 VAL QG2 . 19413 1 1191 . 1 1 112 112 VAL HG22 H 1 0.967 0.020 . 1 . . . . 110 VAL QG2 . 19413 1 1192 . 1 1 112 112 VAL HG23 H 1 0.967 0.020 . 1 . . . . 110 VAL QG2 . 19413 1 1193 . 1 1 112 112 VAL CA C 13 66.062 0.200 . 1 . . . . 110 VAL CA . 19413 1 1194 . 1 1 112 112 VAL CB C 13 31.224 0.200 . 1 . . . . 110 VAL CB . 19413 1 1195 . 1 1 112 112 VAL CG1 C 13 20.345 0.200 . 1 . . . . 110 VAL CG1 . 19413 1 1196 . 1 1 112 112 VAL CG2 C 13 21.889 0.200 . 1 . . . . 110 VAL CG2 . 19413 1 1197 . 1 1 112 112 VAL N N 15 118.257 0.200 . 1 . . . . 110 VAL N . 19413 1 1198 . 1 1 113 113 PHE H H 1 7.411 0.020 . 1 . . . . 111 PHE H . 19413 1 1199 . 1 1 113 113 PHE HA H 1 3.910 0.020 . 1 . . . . 111 PHE HA . 19413 1 1200 . 1 1 113 113 PHE HB2 H 1 3.226 0.020 . 2 . . . . 111 PHE HB2 . 19413 1 1201 . 1 1 113 113 PHE HB3 H 1 2.461 0.020 . 2 . . . . 111 PHE HB3 . 19413 1 1202 . 1 1 113 113 PHE HD1 H 1 7.424 0.020 . 3 . . . . 111 PHE QD . 19413 1 1203 . 1 1 113 113 PHE HD2 H 1 7.424 0.020 . 3 . . . . 111 PHE QD . 19413 1 1204 . 1 1 113 113 PHE CA C 13 61.480 0.200 . 1 . . . . 111 PHE CA . 19413 1 1205 . 1 1 113 113 PHE CB C 13 38.423 0.200 . 1 . . . . 111 PHE CB . 19413 1 1206 . 1 1 113 113 PHE CD1 C 13 132.141 0.200 . 3 . . . . 111 PHE CD1 . 19413 1 1207 . 1 1 113 113 PHE CD2 C 13 132.140 0.200 . 3 . . . . 111 PHE CD2 . 19413 1 1208 . 1 1 113 113 PHE N N 15 118.699 0.200 . 1 . . . . 111 PHE N . 19413 1 1209 . 1 1 114 114 VAL H H 1 8.424 0.020 . 1 . . . . 112 VAL H . 19413 1 1210 . 1 1 114 114 VAL HA H 1 4.611 0.020 . 1 . . . . 112 VAL HA . 19413 1 1211 . 1 1 114 114 VAL HB H 1 2.038 0.020 . 1 . . . . 112 VAL HB . 19413 1 1212 . 1 1 114 114 VAL HG11 H 1 0.978 0.020 . 1 . . . . 112 VAL QG1 . 19413 1 1213 . 1 1 114 114 VAL HG12 H 1 0.978 0.020 . 1 . . . . 112 VAL QG1 . 19413 1 1214 . 1 1 114 114 VAL HG13 H 1 0.978 0.020 . 1 . . . . 112 VAL QG1 . 19413 1 1215 . 1 1 114 114 VAL HG21 H 1 0.867 0.020 . 1 . . . . 112 VAL QG2 . 19413 1 1216 . 1 1 114 114 VAL HG22 H 1 0.867 0.020 . 1 . . . . 112 VAL QG2 . 19413 1 1217 . 1 1 114 114 VAL HG23 H 1 0.867 0.020 . 1 . . . . 112 VAL QG2 . 19413 1 1218 . 1 1 114 114 VAL CA C 13 64.719 0.200 . 1 . . . . 112 VAL CA . 19413 1 1219 . 1 1 114 114 VAL CB C 13 31.371 0.200 . 1 . . . . 112 VAL CB . 19413 1 1220 . 1 1 114 114 VAL CG1 C 13 20.981 0.200 . 1 . . . . 112 VAL CG1 . 19413 1 1221 . 1 1 114 114 VAL CG2 C 13 21.382 0.200 . 1 . . . . 112 VAL CG2 . 19413 1 1222 . 1 1 114 114 VAL N N 15 121.527 0.200 . 1 . . . . 112 VAL N . 19413 1 1223 . 1 1 115 115 ASP H H 1 9.048 0.020 . 1 . . . . 113 ASP H . 19413 1 1224 . 1 1 115 115 ASP HA H 1 4.447 0.020 . 1 . . . . 113 ASP HA . 19413 1 1225 . 1 1 115 115 ASP HB2 H 1 2.887 0.020 . 2 . . . . 113 ASP HB2 . 19413 1 1226 . 1 1 115 115 ASP HB3 H 1 2.630 0.020 . 2 . . . . 113 ASP HB3 . 19413 1 1227 . 1 1 115 115 ASP CA C 13 56.678 0.200 . 1 . . . . 113 ASP CA . 19413 1 1228 . 1 1 115 115 ASP CB C 13 39.280 0.200 . 1 . . . . 113 ASP CB . 19413 1 1229 . 1 1 115 115 ASP N N 15 124.032 0.200 . 1 . . . . 113 ASP N . 19413 1 1230 . 1 1 116 116 ALA H H 1 7.505 0.020 . 1 . . . . 114 ALA H . 19413 1 1231 . 1 1 116 116 ALA HA H 1 4.467 0.020 . 1 . . . . 114 ALA HA . 19413 1 1232 . 1 1 116 116 ALA HB1 H 1 1.432 0.020 . 1 . . . . 114 ALA QB . 19413 1 1233 . 1 1 116 116 ALA HB2 H 1 1.432 0.020 . 1 . . . . 114 ALA QB . 19413 1 1234 . 1 1 116 116 ALA HB3 H 1 1.432 0.020 . 1 . . . . 114 ALA QB . 19413 1 1235 . 1 1 116 116 ALA CA C 13 51.878 0.200 . 1 . . . . 114 ALA CA . 19413 1 1236 . 1 1 116 116 ALA CB C 13 18.613 0.200 . 1 . . . . 114 ALA CB . 19413 1 1237 . 1 1 116 116 ALA N N 15 121.399 0.200 . 1 . . . . 114 ALA N . 19413 1 1238 . 1 1 117 117 GLY H H 1 7.895 0.020 . 1 . . . . 115 GLY H . 19413 1 1239 . 1 1 117 117 GLY HA2 H 1 4.414 0.020 . 2 . . . . 115 GLY HA2 . 19413 1 1240 . 1 1 117 117 GLY HA3 H 1 3.700 0.020 . 2 . . . . 115 GLY HA3 . 19413 1 1241 . 1 1 117 117 GLY CA C 13 45.103 0.200 . 1 . . . . 115 GLY CA . 19413 1 1242 . 1 1 117 117 GLY N N 15 105.755 0.200 . 1 . . . . 115 GLY N . 19413 1 1243 . 1 1 118 118 VAL H H 1 8.095 0.020 . 1 . . . . 116 VAL H . 19413 1 1244 . 1 1 118 118 VAL HA H 1 4.020 0.020 . 1 . . . . 116 VAL HA . 19413 1 1245 . 1 1 118 118 VAL HB H 1 1.949 0.020 . 1 . . . . 116 VAL HB . 19413 1 1246 . 1 1 118 118 VAL HG11 H 1 1.201 0.020 . 1 . . . . 116 VAL QG1 . 19413 1 1247 . 1 1 118 118 VAL HG12 H 1 1.201 0.020 . 1 . . . . 116 VAL QG1 . 19413 1 1248 . 1 1 118 118 VAL HG13 H 1 1.201 0.020 . 1 . . . . 116 VAL QG1 . 19413 1 1249 . 1 1 118 118 VAL HG21 H 1 1.053 0.020 . 1 . . . . 116 VAL QG2 . 19413 1 1250 . 1 1 118 118 VAL HG22 H 1 1.053 0.020 . 1 . . . . 116 VAL QG2 . 19413 1 1251 . 1 1 118 118 VAL HG23 H 1 1.053 0.020 . 1 . . . . 116 VAL QG2 . 19413 1 1252 . 1 1 118 118 VAL CA C 13 61.601 0.200 . 1 . . . . 116 VAL CA . 19413 1 1253 . 1 1 118 118 VAL CB C 13 31.739 0.200 . 1 . . . . 116 VAL CB . 19413 1 1254 . 1 1 118 118 VAL CG1 C 13 21.181 0.200 . 1 . . . . 116 VAL CG1 . 19413 1 1255 . 1 1 118 118 VAL CG2 C 13 21.774 0.200 . 1 . . . . 116 VAL CG2 . 19413 1 1256 . 1 1 118 118 VAL N N 15 124.542 0.200 . 1 . . . . 116 VAL N . 19413 1 1257 . 1 1 119 119 LYS H H 1 9.102 0.020 . 1 . . . . 117 LYS H . 19413 1 1258 . 1 1 119 119 LYS HA H 1 4.183 0.020 . 1 . . . . 117 LYS HA . 19413 1 1259 . 1 1 119 119 LYS HB2 H 1 1.960 0.020 . 2 . . . . 117 LYS HB2 . 19413 1 1260 . 1 1 119 119 LYS HB3 H 1 1.878 0.020 . 2 . . . . 117 LYS HB3 . 19413 1 1261 . 1 1 119 119 LYS HG2 H 1 1.724 0.020 . 2 . . . . 117 LYS HG2 . 19413 1 1262 . 1 1 119 119 LYS HG3 H 1 1.589 0.020 . 2 . . . . 117 LYS HG3 . 19413 1 1263 . 1 1 119 119 LYS HD2 H 1 1.702 0.020 . 2 . . . . 117 LYS HD2 . 19413 1 1264 . 1 1 119 119 LYS HD3 H 1 1.798 0.020 . 2 . . . . 117 LYS HD3 . 19413 1 1265 . 1 1 119 119 LYS CA C 13 57.085 0.200 . 1 . . . . 117 LYS CA . 19413 1 1266 . 1 1 119 119 LYS CB C 13 31.812 0.200 . 1 . . . . 117 LYS CB . 19413 1 1267 . 1 1 119 119 LYS CG C 13 25.215 0.200 . 1 . . . . 117 LYS CG . 19413 1 1268 . 1 1 119 119 LYS CD C 13 29.005 0.200 . 1 . . . . 117 LYS CD . 19413 1 1269 . 1 1 119 119 LYS N N 15 128.363 0.200 . 1 . . . . 117 LYS N . 19413 1 1270 . 1 1 120 120 GLY H H 1 9.300 0.020 . 1 . . . . 118 GLY H . 19413 1 1271 . 1 1 120 120 GLY HA2 H 1 3.807 0.020 . 2 . . . . 118 GLY HA2 . 19413 1 1272 . 1 1 120 120 GLY HA3 H 1 3.356 0.020 . 2 . . . . 118 GLY HA3 . 19413 1 1273 . 1 1 120 120 GLY CA C 13 47.668 0.200 . 1 . . . . 118 GLY CA . 19413 1 1274 . 1 1 120 120 GLY N N 15 116.049 0.200 . 1 . . . . 118 GLY N . 19413 1 1275 . 1 1 121 121 GLU H H 1 9.501 0.020 . 1 . . . . 119 GLU H . 19413 1 1276 . 1 1 121 121 GLU HA H 1 4.226 0.020 . 1 . . . . 119 GLU HA . 19413 1 1277 . 1 1 121 121 GLU HB2 H 1 2.069 0.020 . 2 . . . . 119 GLU HB2 . 19413 1 1278 . 1 1 121 121 GLU HB3 H 1 1.984 0.020 . 2 . . . . 119 GLU HB3 . 19413 1 1279 . 1 1 121 121 GLU HG2 H 1 2.370 0.020 . 2 . . . . 119 GLU HG2 . 19413 1 1280 . 1 1 121 121 GLU HG3 H 1 2.456 0.020 . 2 . . . . 119 GLU HG3 . 19413 1 1281 . 1 1 121 121 GLU CA C 13 59.523 0.200 . 1 . . . . 119 GLU CA . 19413 1 1282 . 1 1 121 121 GLU CB C 13 28.813 0.200 . 1 . . . . 119 GLU CB . 19413 1 1283 . 1 1 121 121 GLU CG C 13 36.353 0.200 . 1 . . . . 119 GLU CG . 19413 1 1284 . 1 1 121 121 GLU N N 15 118.512 0.200 . 1 . . . . 119 GLU N . 19413 1 1285 . 1 1 122 122 ASP H H 1 7.088 0.020 . 1 . . . . 120 ASP H . 19413 1 1286 . 1 1 122 122 ASP HA H 1 4.579 0.020 . 1 . . . . 120 ASP HA . 19413 1 1287 . 1 1 122 122 ASP HB2 H 1 2.977 0.020 . 2 . . . . 120 ASP HB2 . 19413 1 1288 . 1 1 122 122 ASP HB3 H 1 2.658 0.020 . 2 . . . . 120 ASP HB3 . 19413 1 1289 . 1 1 122 122 ASP CA C 13 56.559 0.200 . 1 . . . . 120 ASP CA . 19413 1 1290 . 1 1 122 122 ASP CB C 13 39.632 0.200 . 1 . . . . 120 ASP CB . 19413 1 1291 . 1 1 122 122 ASP N N 15 121.262 0.200 . 1 . . . . 120 ASP N . 19413 1 1292 . 1 1 123 123 TYR H H 1 7.986 0.020 . 1 . . . . 121 TYR H . 19413 1 1293 . 1 1 123 123 TYR HA H 1 3.722 0.020 . 1 . . . . 121 TYR HA . 19413 1 1294 . 1 1 123 123 TYR HB2 H 1 3.297 0.020 . 2 . . . . 121 TYR HB2 . 19413 1 1295 . 1 1 123 123 TYR HB3 H 1 2.513 0.020 . 2 . . . . 121 TYR HB3 . 19413 1 1296 . 1 1 123 123 TYR CA C 13 62.151 0.200 . 1 . . . . 121 TYR CA . 19413 1 1297 . 1 1 123 123 TYR CB C 13 38.002 0.200 . 1 . . . . 121 TYR CB . 19413 1 1298 . 1 1 123 123 TYR N N 15 123.619 0.200 . 1 . . . . 121 TYR N . 19413 1 1299 . 1 1 124 124 ASP H H 1 8.812 0.020 . 1 . . . . 122 ASP H . 19413 1 1300 . 1 1 124 124 ASP HA H 1 4.254 0.020 . 1 . . . . 122 ASP HA . 19413 1 1301 . 1 1 124 124 ASP HB2 H 1 2.764 0.020 . 2 . . . . 122 ASP HB2 . 19413 1 1302 . 1 1 124 124 ASP HB3 H 1 2.663 0.020 . 2 . . . . 122 ASP HB3 . 19413 1 1303 . 1 1 124 124 ASP CA C 13 57.122 0.200 . 1 . . . . 122 ASP CA . 19413 1 1304 . 1 1 124 124 ASP CB C 13 39.611 0.200 . 1 . . . . 122 ASP CB . 19413 1 1305 . 1 1 124 124 ASP N N 15 119.702 0.200 . 1 . . . . 122 ASP N . 19413 1 1306 . 1 1 125 125 ALA H H 1 7.696 0.020 . 1 . . . . 123 ALA H . 19413 1 1307 . 1 1 125 125 ALA HA H 1 4.226 0.020 . 1 . . . . 123 ALA HA . 19413 1 1308 . 1 1 125 125 ALA HB1 H 1 1.566 0.020 . 1 . . . . 123 ALA QB . 19413 1 1309 . 1 1 125 125 ALA HB2 H 1 1.566 0.020 . 1 . . . . 123 ALA QB . 19413 1 1310 . 1 1 125 125 ALA HB3 H 1 1.566 0.020 . 1 . . . . 123 ALA QB . 19413 1 1311 . 1 1 125 125 ALA CA C 13 54.230 0.200 . 1 . . . . 123 ALA CA . 19413 1 1312 . 1 1 125 125 ALA CB C 13 18.126 0.200 . 1 . . . . 123 ALA CB . 19413 1 1313 . 1 1 125 125 ALA N N 15 121.138 0.200 . 1 . . . . 123 ALA N . 19413 1 1314 . 1 1 126 126 ALA H H 1 7.935 0.020 . 1 . . . . 124 ALA H . 19413 1 1315 . 1 1 126 126 ALA HA H 1 4.106 0.020 . 1 . . . . 124 ALA HA . 19413 1 1316 . 1 1 126 126 ALA HB1 H 1 1.442 0.020 . 1 . . . . 124 ALA QB . 19413 1 1317 . 1 1 126 126 ALA HB2 H 1 1.442 0.020 . 1 . . . . 124 ALA QB . 19413 1 1318 . 1 1 126 126 ALA HB3 H 1 1.442 0.020 . 1 . . . . 124 ALA QB . 19413 1 1319 . 1 1 126 126 ALA CA C 13 54.326 0.200 . 1 . . . . 124 ALA CA . 19413 1 1320 . 1 1 126 126 ALA CB C 13 18.565 0.200 . 1 . . . . 124 ALA CB . 19413 1 1321 . 1 1 126 126 ALA N N 15 120.299 0.200 . 1 . . . . 124 ALA N . 19413 1 1322 . 1 1 127 127 TRP H H 1 8.948 0.020 . 1 . . . . 125 TRP H . 19413 1 1323 . 1 1 127 127 TRP HA H 1 3.476 0.020 . 1 . . . . 125 TRP HA . 19413 1 1324 . 1 1 127 127 TRP HB2 H 1 3.117 0.020 . 2 . . . . 125 TRP HB2 . 19413 1 1325 . 1 1 127 127 TRP HB3 H 1 2.922 0.020 . 2 . . . . 125 TRP HB3 . 19413 1 1326 . 1 1 127 127 TRP HD1 H 1 6.999 0.020 . 1 . . . . 125 TRP HD1 . 19413 1 1327 . 1 1 127 127 TRP HE1 H 1 10.047 0.020 . 1 . . . . 125 TRP HE1 . 19413 1 1328 . 1 1 127 127 TRP HE3 H 1 6.903 0.020 . 1 . . . . 125 TRP HE3 . 19413 1 1329 . 1 1 127 127 TRP HZ2 H 1 7.433 0.020 . 1 . . . . 125 TRP HZ2 . 19413 1 1330 . 1 1 127 127 TRP HZ3 H 1 6.793 0.020 . 1 . . . . 125 TRP HZ3 . 19413 1 1331 . 1 1 127 127 TRP HH2 H 1 7.335 0.020 . 1 . . . . 125 TRP HH2 . 19413 1 1332 . 1 1 127 127 TRP CA C 13 61.463 0.200 . 1 . . . . 125 TRP CA . 19413 1 1333 . 1 1 127 127 TRP CB C 13 28.377 0.200 . 1 . . . . 125 TRP CB . 19413 1 1334 . 1 1 127 127 TRP CD1 C 13 127.479 0.200 . 1 . . . . 125 TRP CD1 . 19413 1 1335 . 1 1 127 127 TRP CE3 C 13 119.825 0.200 . 1 . . . . 125 TRP CE3 . 19413 1 1336 . 1 1 127 127 TRP CZ2 C 13 114.682 0.200 . 1 . . . . 125 TRP CZ2 . 19413 1 1337 . 1 1 127 127 TRP CZ3 C 13 121.905 0.200 . 1 . . . . 125 TRP CZ3 . 19413 1 1338 . 1 1 127 127 TRP CH2 C 13 124.379 0.200 . 1 . . . . 125 TRP CH2 . 19413 1 1339 . 1 1 127 127 TRP N N 15 121.357 0.200 . 1 . . . . 125 TRP N . 19413 1 1340 . 1 1 127 127 TRP NE1 N 15 130.768 0.200 . 1 . . . . 125 TRP NE1 . 19413 1 1341 . 1 1 128 128 ASN H H 1 7.024 0.020 . 1 . . . . 126 ASN H . 19413 1 1342 . 1 1 128 128 ASN HA H 1 4.843 0.020 . 1 . . . . 126 ASN HA . 19413 1 1343 . 1 1 128 128 ASN HB2 H 1 3.097 0.020 . 2 . . . . 126 ASN HB2 . 19413 1 1344 . 1 1 128 128 ASN HB3 H 1 2.648 0.020 . 2 . . . . 126 ASN HB3 . 19413 1 1345 . 1 1 128 128 ASN HD21 H 1 7.226 0.020 . 2 . . . . 126 ASN HD21 . 19413 1 1346 . 1 1 128 128 ASN HD22 H 1 7.739 0.020 . 2 . . . . 126 ASN HD22 . 19413 1 1347 . 1 1 128 128 ASN CA C 13 52.522 0.200 . 1 . . . . 126 ASN CA . 19413 1 1348 . 1 1 128 128 ASN CB C 13 40.070 0.200 . 1 . . . . 126 ASN CB . 19413 1 1349 . 1 1 128 128 ASN N N 15 110.817 0.200 . 1 . . . . 126 ASN N . 19413 1 1350 . 1 1 128 128 ASN ND2 N 15 115.671 0.200 . 1 . . . . 126 ASN ND2 . 19413 1 1351 . 1 1 129 129 SER H H 1 7.831 0.020 . 1 . . . . 127 SER H . 19413 1 1352 . 1 1 129 129 SER HA H 1 4.472 0.020 . 1 . . . . 127 SER HA . 19413 1 1353 . 1 1 129 129 SER HB2 H 1 4.335 0.020 . 2 . . . . 127 SER HB2 . 19413 1 1354 . 1 1 129 129 SER HB3 H 1 4.412 0.020 . 2 . . . . 127 SER HB3 . 19413 1 1355 . 1 1 129 129 SER CA C 13 58.535 0.200 . 1 . . . . 127 SER CA . 19413 1 1356 . 1 1 129 129 SER CB C 13 65.513 0.200 . 1 . . . . 127 SER CB . 19413 1 1357 . 1 1 129 129 SER N N 15 116.65 0.200 . 1 . . . . 127 SER N . 19413 1 1358 . 1 1 130 130 PHE HA H 1 4.278 0.020 . 1 . . . . 128 PHE HA . 19413 1 1359 . 1 1 130 130 PHE HB2 H 1 3.325 0.020 . 2 . . . . 128 PHE HB2 . 19413 1 1360 . 1 1 130 130 PHE HB3 H 1 3.136 0.020 . 2 . . . . 128 PHE HB3 . 19413 1 1361 . 1 1 130 130 PHE HD1 H 1 7.297 0.020 . 3 . . . . 128 PHE HD1 . 19413 1 1362 . 1 1 130 130 PHE HD2 H 1 7.385 0.020 . 3 . . . . 128 PHE HD2 . 19413 1 1363 . 1 1 130 130 PHE CA C 13 61.055 0.200 . 1 . . . . 128 PHE CA . 19413 1 1364 . 1 1 130 130 PHE CB C 13 38.368 0.200 . 1 . . . . 128 PHE CB . 19413 1 1365 . 1 1 130 130 PHE CD1 C 13 131.538 0.200 . 3 . . . . 128 PHE CD1 . 19413 1 1366 . 1 1 130 130 PHE CD2 C 13 131.540 0.200 . 3 . . . . 128 PHE CD2 . 19413 1 1367 . 1 1 131 131 VAL H H 1 8.340 0.020 . 1 . . . . 129 VAL H . 19413 1 1368 . 1 1 131 131 VAL HA H 1 3.714 0.020 . 1 . . . . 129 VAL HA . 19413 1 1369 . 1 1 131 131 VAL HB H 1 2.012 0.020 . 1 . . . . 129 VAL HB . 19413 1 1370 . 1 1 131 131 VAL HG11 H 1 0.984 0.020 . 1 . . . . 129 VAL QG1 . 19413 1 1371 . 1 1 131 131 VAL HG12 H 1 0.984 0.020 . 1 . . . . 129 VAL QG1 . 19413 1 1372 . 1 1 131 131 VAL HG13 H 1 0.984 0.020 . 1 . . . . 129 VAL QG1 . 19413 1 1373 . 1 1 131 131 VAL HG21 H 1 1.116 0.020 . 1 . . . . 129 VAL QG2 . 19413 1 1374 . 1 1 131 131 VAL HG22 H 1 1.116 0.020 . 1 . . . . 129 VAL QG2 . 19413 1 1375 . 1 1 131 131 VAL HG23 H 1 1.116 0.020 . 1 . . . . 129 VAL QG2 . 19413 1 1376 . 1 1 131 131 VAL CA C 13 65.672 0.200 . 1 . . . . 129 VAL CA . 19413 1 1377 . 1 1 131 131 VAL CB C 13 31.778 0.200 . 1 . . . . 129 VAL CB . 19413 1 1378 . 1 1 131 131 VAL CG1 C 13 20.482 0.200 . 1 . . . . 129 VAL CG1 . 19413 1 1379 . 1 1 131 131 VAL CG2 C 13 22.319 0.200 . 1 . . . . 129 VAL CG2 . 19413 1 1380 . 1 1 131 131 VAL N N 15 120.058 0.200 . 1 . . . . 129 VAL N . 19413 1 1381 . 1 1 132 132 VAL H H 1 7.163 0.020 . 1 . . . . 130 VAL H . 19413 1 1382 . 1 1 132 132 VAL HA H 1 3.511 0.020 . 1 . . . . 130 VAL HA . 19413 1 1383 . 1 1 132 132 VAL HB H 1 1.972 0.020 . 1 . . . . 130 VAL HB . 19413 1 1384 . 1 1 132 132 VAL HG11 H 1 0.669 0.020 . 1 . . . . 130 VAL QG1 . 19413 1 1385 . 1 1 132 132 VAL HG12 H 1 0.669 0.020 . 1 . . . . 130 VAL QG1 . 19413 1 1386 . 1 1 132 132 VAL HG13 H 1 0.669 0.020 . 1 . . . . 130 VAL QG1 . 19413 1 1387 . 1 1 132 132 VAL HG21 H 1 0.690 0.020 . 1 . . . . 130 VAL QG2 . 19413 1 1388 . 1 1 132 132 VAL HG22 H 1 0.690 0.020 . 1 . . . . 130 VAL QG2 . 19413 1 1389 . 1 1 132 132 VAL HG23 H 1 0.690 0.020 . 1 . . . . 130 VAL QG2 . 19413 1 1390 . 1 1 132 132 VAL CA C 13 66.834 0.200 . 1 . . . . 130 VAL CA . 19413 1 1391 . 1 1 132 132 VAL CB C 13 31.224 0.200 . 1 . . . . 130 VAL CB . 19413 1 1392 . 1 1 132 132 VAL CG1 C 13 20.651 0.200 . 1 . . . . 130 VAL CG1 . 19413 1 1393 . 1 1 132 132 VAL CG2 C 13 25.571 0.200 . 1 . . . . 130 VAL CG2 . 19413 1 1394 . 1 1 132 132 VAL N N 15 122.552 0.200 . 1 . . . . 130 VAL N . 19413 1 1395 . 1 1 133 133 LYS H H 1 7.852 0.020 . 1 . . . . 131 LYS H . 19413 1 1396 . 1 1 133 133 LYS HA H 1 3.756 0.020 . 1 . . . . 131 LYS HA . 19413 1 1397 . 1 1 133 133 LYS HB2 H 1 1.784 0.020 . 2 . . . . 131 LYS QB . 19413 1 1398 . 1 1 133 133 LYS HB3 H 1 1.784 0.020 . 2 . . . . 131 LYS QB . 19413 1 1399 . 1 1 133 133 LYS HG2 H 1 1.455 0.020 . 2 . . . . 131 LYS HG2 . 19413 1 1400 . 1 1 133 133 LYS HG3 H 1 1.309 0.020 . 2 . . . . 131 LYS HG3 . 19413 1 1401 . 1 1 133 133 LYS HD2 H 1 1.629 0.020 . 2 . . . . 131 LYS HD2 . 19413 1 1402 . 1 1 133 133 LYS HD3 H 1 1.573 0.020 . 2 . . . . 131 LYS HD3 . 19413 1 1403 . 1 1 133 133 LYS HE2 H 1 2.919 0.020 . 2 . . . . 131 LYS QE . 19413 1 1404 . 1 1 133 133 LYS HE3 H 1 2.919 0.020 . 2 . . . . 131 LYS QE . 19413 1 1405 . 1 1 133 133 LYS CA C 13 59.734 0.200 . 1 . . . . 131 LYS CA . 19413 1 1406 . 1 1 133 133 LYS CB C 13 31.518 0.200 . 1 . . . . 131 LYS CB . 19413 1 1407 . 1 1 133 133 LYS CG C 13 24.734 0.200 . 1 . . . . 131 LYS CG . 19413 1 1408 . 1 1 133 133 LYS CD C 13 29.047 0.200 . 1 . . . . 131 LYS CD . 19413 1 1409 . 1 1 133 133 LYS CE C 13 41.852 0.200 . 1 . . . . 131 LYS CE . 19413 1 1410 . 1 1 133 133 LYS N N 15 122.079 0.200 . 1 . . . . 131 LYS N . 19413 1 1411 . 1 1 134 134 SER H H 1 8.258 0.020 . 1 . . . . 132 SER H . 19413 1 1412 . 1 1 134 134 SER HA H 1 4.155 0.020 . 1 . . . . 132 SER HA . 19413 1 1413 . 1 1 134 134 SER HB2 H 1 3.795 0.020 . 2 . . . . 132 SER QB . 19413 1 1414 . 1 1 134 134 SER HB3 H 1 3.795 0.020 . 2 . . . . 132 SER QB . 19413 1 1415 . 1 1 134 134 SER CA C 13 61.022 0.200 . 1 . . . . 132 SER CA . 19413 1 1416 . 1 1 134 134 SER CB C 13 62.309 0.200 . 1 . . . . 132 SER CB . 19413 1 1417 . 1 1 134 134 SER N N 15 115.836 0.200 . 1 . . . . 132 SER N . 19413 1 1418 . 1 1 135 135 LEU H H 1 8.140 0.020 . 1 . . . . 133 LEU H . 19413 1 1419 . 1 1 135 135 LEU HA H 1 4.197 0.020 . 1 . . . . 133 LEU HA . 19413 1 1420 . 1 1 135 135 LEU HB2 H 1 2.114 0.020 . 2 . . . . 133 LEU HB2 . 19413 1 1421 . 1 1 135 135 LEU HB3 H 1 1.252 0.020 . 2 . . . . 133 LEU HB3 . 19413 1 1422 . 1 1 135 135 LEU HG H 1 1.770 0.020 . 1 . . . . 133 LEU HG . 19413 1 1423 . 1 1 135 135 LEU HD11 H 1 0.925 0.020 . 1 . . . . 133 LEU QD1 . 19413 1 1424 . 1 1 135 135 LEU HD12 H 1 0.925 0.020 . 1 . . . . 133 LEU QD1 . 19413 1 1425 . 1 1 135 135 LEU HD13 H 1 0.925 0.020 . 1 . . . . 133 LEU QD1 . 19413 1 1426 . 1 1 135 135 LEU HD21 H 1 0.980 0.020 . 1 . . . . 133 LEU QD2 . 19413 1 1427 . 1 1 135 135 LEU HD22 H 1 0.980 0.020 . 1 . . . . 133 LEU QD2 . 19413 1 1428 . 1 1 135 135 LEU HD23 H 1 0.980 0.020 . 1 . . . . 133 LEU QD2 . 19413 1 1429 . 1 1 135 135 LEU CA C 13 57.564 0.200 . 1 . . . . 133 LEU CA . 19413 1 1430 . 1 1 135 135 LEU CB C 13 44.161 0.200 . 1 . . . . 133 LEU CB . 19413 1 1431 . 1 1 135 135 LEU CG C 13 27.608 0.200 . 1 . . . . 133 LEU CG . 19413 1 1432 . 1 1 135 135 LEU CD1 C 13 25.549 0.200 . 1 . . . . 133 LEU CD1 . 19413 1 1433 . 1 1 135 135 LEU CD2 C 13 23.099 0.200 . 1 . . . . 133 LEU CD2 . 19413 1 1434 . 1 1 135 135 LEU N N 15 124.754 0.200 . 1 . . . . 133 LEU N . 19413 1 1435 . 1 1 136 136 VAL H H 1 8.718 0.020 . 1 . . . . 134 VAL H . 19413 1 1436 . 1 1 136 136 VAL HA H 1 3.281 0.020 . 1 . . . . 134 VAL HA . 19413 1 1437 . 1 1 136 136 VAL HB H 1 2.118 0.020 . 1 . . . . 134 VAL HB . 19413 1 1438 . 1 1 136 136 VAL HG11 H 1 0.813 0.020 . 1 . . . . 134 VAL QG1 . 19413 1 1439 . 1 1 136 136 VAL HG12 H 1 0.813 0.020 . 1 . . . . 134 VAL QG1 . 19413 1 1440 . 1 1 136 136 VAL HG13 H 1 0.813 0.020 . 1 . . . . 134 VAL QG1 . 19413 1 1441 . 1 1 136 136 VAL HG21 H 1 0.779 0.020 . 1 . . . . 134 VAL QG2 . 19413 1 1442 . 1 1 136 136 VAL HG22 H 1 0.779 0.020 . 1 . . . . 134 VAL QG2 . 19413 1 1443 . 1 1 136 136 VAL HG23 H 1 0.779 0.020 . 1 . . . . 134 VAL QG2 . 19413 1 1444 . 1 1 136 136 VAL CA C 13 68.857 0.200 . 1 . . . . 134 VAL CA . 19413 1 1445 . 1 1 136 136 VAL CB C 13 30.856 0.200 . 1 . . . . 134 VAL CB . 19413 1 1446 . 1 1 136 136 VAL CG1 C 13 21.131 0.200 . 1 . . . . 134 VAL CG1 . 19413 1 1447 . 1 1 136 136 VAL CG2 C 13 23.680 0.200 . 1 . . . . 134 VAL CG2 . 19413 1 1448 . 1 1 136 136 VAL N N 15 123.461 0.200 . 1 . . . . 134 VAL N . 19413 1 1449 . 1 1 137 137 ALA H H 1 7.513 0.020 . 1 . . . . 135 ALA H . 19413 1 1450 . 1 1 137 137 ALA HA H 1 4.164 0.020 . 1 . . . . 135 ALA HA . 19413 1 1451 . 1 1 137 137 ALA HB1 H 1 1.550 0.020 . 1 . . . . 135 ALA QB . 19413 1 1452 . 1 1 137 137 ALA HB2 H 1 1.550 0.020 . 1 . . . . 135 ALA QB . 19413 1 1453 . 1 1 137 137 ALA HB3 H 1 1.550 0.020 . 1 . . . . 135 ALA QB . 19413 1 1454 . 1 1 137 137 ALA CA C 13 54.929 0.200 . 1 . . . . 135 ALA CA . 19413 1 1455 . 1 1 137 137 ALA CB C 13 17.426 0.200 . 1 . . . . 135 ALA CB . 19413 1 1456 . 1 1 137 137 ALA N N 15 121.739 0.200 . 1 . . . . 135 ALA N . 19413 1 1457 . 1 1 138 138 GLN H H 1 8.473 0.020 . 1 . . . . 136 GLN H . 19413 1 1458 . 1 1 138 138 GLN HA H 1 4.076 0.020 . 1 . . . . 136 GLN HA . 19413 1 1459 . 1 1 138 138 GLN HB2 H 1 2.206 0.020 . 2 . . . . 136 GLN HB2 . 19413 1 1460 . 1 1 138 138 GLN HB3 H 1 2.126 0.020 . 2 . . . . 136 GLN HB3 . 19413 1 1461 . 1 1 138 138 GLN HG2 H 1 2.520 0.020 . 2 . . . . 136 GLN HG2 . 19413 1 1462 . 1 1 138 138 GLN HG3 H 1 2.402 0.020 . 2 . . . . 136 GLN HG3 . 19413 1 1463 . 1 1 138 138 GLN CA C 13 59.109 0.200 . 1 . . . . 136 GLN CA . 19413 1 1464 . 1 1 138 138 GLN CB C 13 29.085 0.200 . 1 . . . . 136 GLN CB . 19413 1 1465 . 1 1 138 138 GLN CG C 13 33.860 0.200 . 1 . . . . 136 GLN CG . 19413 1 1466 . 1 1 138 138 GLN N N 15 119.033 0.200 . 1 . . . . 136 GLN N . 19413 1 1467 . 1 1 139 139 GLN H H 1 7.995 0.020 . 1 . . . . 137 GLN H . 19413 1 1468 . 1 1 139 139 GLN HA H 1 3.512 0.020 . 1 . . . . 137 GLN HA . 19413 1 1469 . 1 1 139 139 GLN HB2 H 1 2.113 0.020 . 2 . . . . 137 GLN QB . 19413 1 1470 . 1 1 139 139 GLN HB3 H 1 2.113 0.020 . 2 . . . . 137 GLN QB . 19413 1 1471 . 1 1 139 139 GLN HG2 H 1 2.447 0.020 . 2 . . . . 137 GLN HG2 . 19413 1 1472 . 1 1 139 139 GLN HG3 H 1 1.143 0.020 . 2 . . . . 137 GLN HG3 . 19413 1 1473 . 1 1 139 139 GLN CA C 13 59.882 0.200 . 1 . . . . 137 GLN CA . 19413 1 1474 . 1 1 139 139 GLN CB C 13 30.843 0.200 . 1 . . . . 137 GLN CB . 19413 1 1475 . 1 1 139 139 GLN CG C 13 35.406 0.200 . 1 . . . . 137 GLN CG . 19413 1 1476 . 1 1 139 139 GLN N N 15 119.734 0.200 . 1 . . . . 137 GLN N . 19413 1 1477 . 1 1 140 140 GLU H H 1 8.291 0.020 . 1 . . . . 138 GLU H . 19413 1 1478 . 1 1 140 140 GLU HA H 1 3.935 0.020 . 1 . . . . 138 GLU HA . 19413 1 1479 . 1 1 140 140 GLU HB2 H 1 2.342 0.020 . 2 . . . . 138 GLU HB2 . 19413 1 1480 . 1 1 140 140 GLU HB3 H 1 2.019 0.020 . 2 . . . . 138 GLU HB3 . 19413 1 1481 . 1 1 140 140 GLU HG2 H 1 2.375 0.020 . 2 . . . . 138 GLU HG2 . 19413 1 1482 . 1 1 140 140 GLU HG3 H 1 2.613 0.020 . 2 . . . . 138 GLU HG3 . 19413 1 1483 . 1 1 140 140 GLU CA C 13 58.977 0.200 . 1 . . . . 138 GLU CA . 19413 1 1484 . 1 1 140 140 GLU CB C 13 28.965 0.200 . 1 . . . . 138 GLU CB . 19413 1 1485 . 1 1 140 140 GLU CG C 13 34.473 0.200 . 1 . . . . 138 GLU CG . 19413 1 1486 . 1 1 140 140 GLU N N 15 121.309 0.200 . 1 . . . . 138 GLU N . 19413 1 1487 . 1 1 141 141 LYS H H 1 8.603 0.020 . 1 . . . . 139 LYS H . 19413 1 1488 . 1 1 141 141 LYS HA H 1 4.117 0.020 . 1 . . . . 139 LYS HA . 19413 1 1489 . 1 1 141 141 LYS HB2 H 1 1.928 0.020 . 2 . . . . 139 LYS HB2 . 19413 1 1490 . 1 1 141 141 LYS HB3 H 1 1.977 0.020 . 2 . . . . 139 LYS HB3 . 19413 1 1491 . 1 1 141 141 LYS HG2 H 1 1.508 0.020 . 2 . . . . 139 LYS QG . 19413 1 1492 . 1 1 141 141 LYS HG3 H 1 1.508 0.020 . 2 . . . . 139 LYS QG . 19413 1 1493 . 1 1 141 141 LYS HD2 H 1 2.012 0.020 . 2 . . . . 139 LYS QD . 19413 1 1494 . 1 1 141 141 LYS HD3 H 1 2.012 0.020 . 2 . . . . 139 LYS QD . 19413 1 1495 . 1 1 141 141 LYS CA C 13 58.924 0.200 . 1 . . . . 139 LYS CA . 19413 1 1496 . 1 1 141 141 LYS CB C 13 32.592 0.200 . 1 . . . . 139 LYS CB . 19413 1 1497 . 1 1 141 141 LYS CG C 13 24.698 0.200 . 1 . . . . 139 LYS CG . 19413 1 1498 . 1 1 141 141 LYS CD C 13 28.875 0.200 . 1 . . . . 139 LYS CD . 19413 1 1499 . 1 1 141 141 LYS N N 15 122.121 0.200 . 1 . . . . 139 LYS N . 19413 1 1500 . 1 1 142 142 ALA H H 1 8.140 0.020 . 1 . . . . 140 ALA H . 19413 1 1501 . 1 1 142 142 ALA HA H 1 4.410 0.020 . 1 . . . . 140 ALA HA . 19413 1 1502 . 1 1 142 142 ALA HB1 H 1 1.894 0.020 . 1 . . . . 140 ALA QB . 19413 1 1503 . 1 1 142 142 ALA HB2 H 1 1.894 0.020 . 1 . . . . 140 ALA QB . 19413 1 1504 . 1 1 142 142 ALA HB3 H 1 1.894 0.020 . 1 . . . . 140 ALA QB . 19413 1 1505 . 1 1 142 142 ALA CA C 13 55.063 0.200 . 1 . . . . 140 ALA CA . 19413 1 1506 . 1 1 142 142 ALA CB C 13 18.446 0.200 . 1 . . . . 140 ALA CB . 19413 1 1507 . 1 1 142 142 ALA N N 15 120.286 0.200 . 1 . . . . 140 ALA N . 19413 1 1508 . 1 1 143 143 ALA H H 1 7.251 0.020 . 1 . . . . 141 ALA H . 19413 1 1509 . 1 1 143 143 ALA HA H 1 3.648 0.020 . 1 . . . . 141 ALA HA . 19413 1 1510 . 1 1 143 143 ALA HB1 H 1 1.492 0.020 . 1 . . . . 141 ALA QB . 19413 1 1511 . 1 1 143 143 ALA HB2 H 1 1.492 0.020 . 1 . . . . 141 ALA QB . 19413 1 1512 . 1 1 143 143 ALA HB3 H 1 1.492 0.020 . 1 . . . . 141 ALA QB . 19413 1 1513 . 1 1 143 143 ALA CA C 13 54.515 0.200 . 1 . . . . 141 ALA CA . 19413 1 1514 . 1 1 143 143 ALA CB C 13 18.001 0.200 . 1 . . . . 141 ALA CB . 19413 1 1515 . 1 1 143 143 ALA N N 15 116.994 0.200 . 1 . . . . 141 ALA N . 19413 1 1516 . 1 1 144 144 ALA H H 1 7.940 0.020 . 1 . . . . 142 ALA H . 19413 1 1517 . 1 1 144 144 ALA HA H 1 4.184 0.020 . 1 . . . . 142 ALA HA . 19413 1 1518 . 1 1 144 144 ALA HB1 H 1 1.546 0.020 . 1 . . . . 142 ALA QB . 19413 1 1519 . 1 1 144 144 ALA HB2 H 1 1.546 0.020 . 1 . . . . 142 ALA QB . 19413 1 1520 . 1 1 144 144 ALA HB3 H 1 1.546 0.020 . 1 . . . . 142 ALA QB . 19413 1 1521 . 1 1 144 144 ALA CA C 13 54.657 0.200 . 1 . . . . 142 ALA CA . 19413 1 1522 . 1 1 144 144 ALA CB C 13 18.217 0.200 . 1 . . . . 142 ALA CB . 19413 1 1523 . 1 1 144 144 ALA N N 15 121.272 0.200 . 1 . . . . 142 ALA N . 19413 1 1524 . 1 1 145 145 ASP H H 1 9.272 0.020 . 1 . . . . 143 ASP H . 19413 1 1525 . 1 1 145 145 ASP HA H 1 4.336 0.020 . 1 . . . . 143 ASP HA . 19413 1 1526 . 1 1 145 145 ASP HB2 H 1 2.557 0.020 . 2 . . . . 143 ASP HB2 . 19413 1 1527 . 1 1 145 145 ASP HB3 H 1 2.791 0.020 . 2 . . . . 143 ASP HB3 . 19413 1 1528 . 1 1 145 145 ASP CA C 13 56.975 0.200 . 1 . . . . 143 ASP CA . 19413 1 1529 . 1 1 145 145 ASP CB C 13 40.035 0.200 . 1 . . . . 143 ASP CB . 19413 1 1530 . 1 1 145 145 ASP N N 15 121.599 0.200 . 1 . . . . 143 ASP N . 19413 1 1531 . 1 1 146 146 LEU HA H 1 4.111 0.020 . 1 . . . . 144 LEU HA . 19413 1 1532 . 1 1 146 146 LEU HB2 H 1 1.049 0.020 . 2 . . . . 144 LEU HB2 . 19413 1 1533 . 1 1 146 146 LEU HB3 H 1 1.303 0.020 . 2 . . . . 144 LEU HB3 . 19413 1 1534 . 1 1 146 146 LEU HG H 1 1.426 0.020 . 1 . . . . 144 LEU HG . 19413 1 1535 . 1 1 146 146 LEU HD11 H 1 0.468 0.020 . 2 . . . . 144 LEU QQD . 19413 1 1536 . 1 1 146 146 LEU HD12 H 1 0.468 0.020 . 2 . . . . 144 LEU QQD . 19413 1 1537 . 1 1 146 146 LEU HD13 H 1 0.468 0.020 . 2 . . . . 144 LEU QQD . 19413 1 1538 . 1 1 146 146 LEU HD21 H 1 0.468 0.020 . 2 . . . . 144 LEU QQD . 19413 1 1539 . 1 1 146 146 LEU HD22 H 1 0.468 0.020 . 2 . . . . 144 LEU QQD . 19413 1 1540 . 1 1 146 146 LEU HD23 H 1 0.468 0.020 . 2 . . . . 144 LEU QQD . 19413 1 1541 . 1 1 146 146 LEU CA C 13 54.547 0.200 . 1 . . . . 144 LEU CA . 19413 1 1542 . 1 1 146 146 LEU CB C 13 41.055 0.200 . 1 . . . . 144 LEU CB . 19413 1 1543 . 1 1 146 146 LEU CG C 13 26.857 0.200 . 1 . . . . 144 LEU CG . 19413 1 1544 . 1 1 146 146 LEU CD2 C 13 22.587 0.200 . 2 . . . . 144 LEU CD2 . 19413 1 1545 . 1 1 147 147 GLN H H 1 7.750 0.020 . 1 . . . . 145 GLN H . 19413 1 1546 . 1 1 147 147 GLN HA H 1 3.752 0.020 . 1 . . . . 145 GLN HA . 19413 1 1547 . 1 1 147 147 GLN HB2 H 1 2.229 0.020 . 2 . . . . 145 GLN HB2 . 19413 1 1548 . 1 1 147 147 GLN HB3 H 1 2.074 0.020 . 2 . . . . 145 GLN HB3 . 19413 1 1549 . 1 1 147 147 GLN HG2 H 1 2.240 0.020 . 2 . . . . 145 GLN QG . 19413 1 1550 . 1 1 147 147 GLN HG3 H 1 2.240 0.020 . 2 . . . . 145 GLN QG . 19413 1 1551 . 1 1 147 147 GLN HE21 H 1 6.772 0.020 . 2 . . . . 145 GLN HE21 . 19413 1 1552 . 1 1 147 147 GLN HE22 H 1 7.328 0.020 . 2 . . . . 145 GLN HE22 . 19413 1 1553 . 1 1 147 147 GLN CA C 13 55.823 0.200 . 1 . . . . 145 GLN CA . 19413 1 1554 . 1 1 147 147 GLN CB C 13 26.132 0.200 . 1 . . . . 145 GLN CB . 19413 1 1555 . 1 1 147 147 GLN CG C 13 34.331 0.200 . 1 . . . . 145 GLN CG . 19413 1 1556 . 1 1 147 147 GLN N N 15 116.94 0.200 . 1 . . . . 145 GLN N . 19413 1 1557 . 1 1 147 147 GLN NE2 N 15 113.243 0.200 . 1 . . . . 145 GLN NE2 . 19413 1 1558 . 1 1 148 148 LEU H H 1 7.516 0.020 . 1 . . . . 146 LEU H . 19413 1 1559 . 1 1 148 148 LEU HA H 1 3.886 0.020 . 1 . . . . 146 LEU HA . 19413 1 1560 . 1 1 148 148 LEU HB2 H 1 1.479 0.020 . 2 . . . . 146 LEU HB2 . 19413 1 1561 . 1 1 148 148 LEU HB3 H 1 1.063 0.020 . 2 . . . . 146 LEU HB3 . 19413 1 1562 . 1 1 148 148 LEU HG H 1 1.367 0.020 . 1 . . . . 146 LEU HG . 19413 1 1563 . 1 1 148 148 LEU HD11 H 1 0.786 0.020 . 1 . . . . 146 LEU QD1 . 19413 1 1564 . 1 1 148 148 LEU HD12 H 1 0.786 0.020 . 1 . . . . 146 LEU QD1 . 19413 1 1565 . 1 1 148 148 LEU HD13 H 1 0.786 0.020 . 1 . . . . 146 LEU QD1 . 19413 1 1566 . 1 1 148 148 LEU HD21 H 1 0.244 0.020 . 1 . . . . 146 LEU QD2 . 19413 1 1567 . 1 1 148 148 LEU HD22 H 1 0.244 0.020 . 1 . . . . 146 LEU QD2 . 19413 1 1568 . 1 1 148 148 LEU HD23 H 1 0.244 0.020 . 1 . . . . 146 LEU QD2 . 19413 1 1569 . 1 1 148 148 LEU CA C 13 56.313 0.200 . 1 . . . . 146 LEU CA . 19413 1 1570 . 1 1 148 148 LEU CB C 13 43.142 0.200 . 1 . . . . 146 LEU CB . 19413 1 1571 . 1 1 148 148 LEU CG C 13 26.719 0.200 . 1 . . . . 146 LEU CG . 19413 1 1572 . 1 1 148 148 LEU CD1 C 13 24.994 0.200 . 1 . . . . 146 LEU CD1 . 19413 1 1573 . 1 1 148 148 LEU CD2 C 13 26.583 0.200 . 1 . . . . 146 LEU CD2 . 19413 1 1574 . 1 1 148 148 LEU N N 15 119.399 0.200 . 1 . . . . 146 LEU N . 19413 1 1575 . 1 1 149 149 GLN H H 1 8.895 0.020 . 1 . . . . 147 GLN H . 19413 1 1576 . 1 1 149 149 GLN HA H 1 4.147 0.020 . 1 . . . . 147 GLN HA . 19413 1 1577 . 1 1 149 149 GLN HB2 H 1 2.174 0.020 . 2 . . . . 147 GLN HB2 . 19413 1 1578 . 1 1 149 149 GLN HB3 H 1 1.845 0.020 . 2 . . . . 147 GLN HB3 . 19413 1 1579 . 1 1 149 149 GLN HG2 H 1 2.399 0.020 . 2 . . . . 147 GLN HG2 . 19413 1 1580 . 1 1 149 149 GLN HG3 H 1 2.340 0.020 . 2 . . . . 147 GLN HG3 . 19413 1 1581 . 1 1 149 149 GLN CA C 13 54.867 0.200 . 1 . . . . 147 GLN CA . 19413 1 1582 . 1 1 149 149 GLN CB C 13 30.525 0.200 . 1 . . . . 147 GLN CB . 19413 1 1583 . 1 1 149 149 GLN CG C 13 33.607 0.200 . 1 . . . . 147 GLN CG . 19413 1 1584 . 1 1 149 149 GLN N N 15 123.118 0.200 . 1 . . . . 147 GLN N . 19413 1 1585 . 1 1 150 150 GLY H H 1 7.275 0.020 . 1 . . . . 148 GLY H . 19413 1 1586 . 1 1 150 150 GLY HA2 H 1 4.307 0.020 . 2 . . . . 148 GLY HA2 . 19413 1 1587 . 1 1 150 150 GLY HA3 H 1 4.020 0.020 . 2 . . . . 148 GLY HA3 . 19413 1 1588 . 1 1 150 150 GLY CA C 13 45.104 0.200 . 1 . . . . 148 GLY CA . 19413 1 1589 . 1 1 150 150 GLY N N 15 106.555 0.200 . 1 . . . . 148 GLY N . 19413 1 1590 . 1 1 151 151 VAL H H 1 8.267 0.020 . 1 . . . . 149 VAL H . 19413 1 1591 . 1 1 151 151 VAL HA H 1 4.471 0.020 . 1 . . . . 149 VAL HA . 19413 1 1592 . 1 1 151 151 VAL HB H 1 1.995 0.020 . 1 . . . . 149 VAL HB . 19413 1 1593 . 1 1 151 151 VAL HG11 H 1 0.803 0.020 . 1 . . . . 149 VAL QG1 . 19413 1 1594 . 1 1 151 151 VAL HG12 H 1 0.803 0.020 . 1 . . . . 149 VAL QG1 . 19413 1 1595 . 1 1 151 151 VAL HG13 H 1 0.803 0.020 . 1 . . . . 149 VAL QG1 . 19413 1 1596 . 1 1 151 151 VAL HG21 H 1 0.806 0.020 . 1 . . . . 149 VAL QG2 . 19413 1 1597 . 1 1 151 151 VAL HG22 H 1 0.806 0.020 . 1 . . . . 149 VAL QG2 . 19413 1 1598 . 1 1 151 151 VAL HG23 H 1 0.806 0.020 . 1 . . . . 149 VAL QG2 . 19413 1 1599 . 1 1 151 151 VAL CA C 13 57.637 0.200 . 1 . . . . 149 VAL CA . 19413 1 1600 . 1 1 151 151 VAL CB C 13 34.682 0.200 . 1 . . . . 149 VAL CB . 19413 1 1601 . 1 1 151 151 VAL CG1 C 13 25.747 0.200 . 1 . . . . 149 VAL CG1 . 19413 1 1602 . 1 1 151 151 VAL CG2 C 13 25.862 0.200 . 1 . . . . 149 VAL CG2 . 19413 1 1603 . 1 1 151 151 VAL N N 15 110.03 0.200 . 1 . . . . 149 VAL N . 19413 1 1604 . 1 1 152 152 PRO HA H 1 4.810 0.020 . 1 . . . . 150 PRO HA . 19413 1 1605 . 1 1 152 152 PRO HB2 H 1 2.405 0.020 . 2 . . . . 150 PRO HB2 . 19413 1 1606 . 1 1 152 152 PRO HB3 H 1 1.844 0.020 . 2 . . . . 150 PRO HB3 . 19413 1 1607 . 1 1 152 152 PRO HG2 H 1 1.343 0.020 . 2 . . . . 150 PRO HG2 . 19413 1 1608 . 1 1 152 152 PRO HG3 H 1 1.133 0.020 . 2 . . . . 150 PRO HG3 . 19413 1 1609 . 1 1 152 152 PRO HD2 H 1 3.643 0.020 . 2 . . . . 150 PRO HD2 . 19413 1 1610 . 1 1 152 152 PRO HD3 H 1 3.253 0.020 . 2 . . . . 150 PRO HD3 . 19413 1 1611 . 1 1 152 152 PRO CA C 13 62.144 0.200 . 1 . . . . 150 PRO CA . 19413 1 1612 . 1 1 152 152 PRO CB C 13 34.926 0.200 . 1 . . . . 150 PRO CB . 19413 1 1613 . 1 1 152 152 PRO CG C 13 23.730 0.200 . 1 . . . . 150 PRO CG . 19413 1 1614 . 1 1 152 152 PRO CD C 13 51.100 0.200 . 1 . . . . 150 PRO CD . 19413 1 1615 . 1 1 153 153 ALA H H 1 8.249 0.020 . 1 . . . . 151 ALA H . 19413 1 1616 . 1 1 153 153 ALA HA H 1 4.885 0.020 . 1 . . . . 151 ALA HA . 19413 1 1617 . 1 1 153 153 ALA HB1 H 1 1.727 0.020 . 1 . . . . 151 ALA QB . 19413 1 1618 . 1 1 153 153 ALA HB2 H 1 1.727 0.020 . 1 . . . . 151 ALA QB . 19413 1 1619 . 1 1 153 153 ALA HB3 H 1 1.727 0.020 . 1 . . . . 151 ALA QB . 19413 1 1620 . 1 1 153 153 ALA CA C 13 51.625 0.200 . 1 . . . . 151 ALA CA . 19413 1 1621 . 1 1 153 153 ALA CB C 13 24.847 0.200 . 1 . . . . 151 ALA CB . 19413 1 1622 . 1 1 153 153 ALA N N 15 123.567 0.200 . 1 . . . . 151 ALA N . 19413 1 1623 . 1 1 154 154 MET H H 1 8.610 0.020 . 1 . . . . 152 MET H . 19413 1 1624 . 1 1 154 154 MET HA H 1 5.724 0.020 . 1 . . . . 152 MET HA . 19413 1 1625 . 1 1 154 154 MET HB2 H 1 1.958 0.020 . 2 . . . . 152 MET HB2 . 19413 1 1626 . 1 1 154 154 MET HB3 H 1 2.356 0.020 . 2 . . . . 152 MET HB3 . 19413 1 1627 . 1 1 154 154 MET HE1 H 1 2.105 0.020 . 1 . . . . 152 MET QE . 19413 1 1628 . 1 1 154 154 MET HE2 H 1 2.105 0.020 . 1 . . . . 152 MET QE . 19413 1 1629 . 1 1 154 154 MET HE3 H 1 2.105 0.020 . 1 . . . . 152 MET QE . 19413 1 1630 . 1 1 154 154 MET CA C 13 55.487 0.200 . 1 . . . . 152 MET CA . 19413 1 1631 . 1 1 154 154 MET CB C 13 36.830 0.200 . 1 . . . . 152 MET CB . 19413 1 1632 . 1 1 154 154 MET CE C 13 16.563 0.200 . 1 . . . . 152 MET CE . 19413 1 1633 . 1 1 154 154 MET N N 15 121.866 0.200 . 1 . . . . 152 MET N . 19413 1 1634 . 1 1 155 155 TYR H H 1 9.685 0.020 . 1 . . . . 153 TYR H . 19413 1 1635 . 1 1 155 155 TYR HA H 1 5.754 0.020 . 1 . . . . 153 TYR HA . 19413 1 1636 . 1 1 155 155 TYR HB2 H 1 2.886 0.020 . 2 . . . . 153 TYR QB . 19413 1 1637 . 1 1 155 155 TYR HB3 H 1 2.886 0.020 . 2 . . . . 153 TYR QB . 19413 1 1638 . 1 1 155 155 TYR HD1 H 1 7.078 0.020 . 3 . . . . 153 TYR QD . 19413 1 1639 . 1 1 155 155 TYR HD2 H 1 7.078 0.020 . 3 . . . . 153 TYR QD . 19413 1 1640 . 1 1 155 155 TYR HE1 H 1 6.887 0.020 . 3 . . . . 153 TYR QE . 19413 1 1641 . 1 1 155 155 TYR HE2 H 1 6.887 0.020 . 3 . . . . 153 TYR QE . 19413 1 1642 . 1 1 155 155 TYR CA C 13 56.208 0.200 . 1 . . . . 153 TYR CA . 19413 1 1643 . 1 1 155 155 TYR CB C 13 42.990 0.200 . 1 . . . . 153 TYR CB . 19413 1 1644 . 1 1 155 155 TYR CD1 C 13 132.413 0.200 . 3 . . . . 153 TYR CD1 . 19413 1 1645 . 1 1 155 155 TYR CE1 C 13 118.482 0.200 . 3 . . . . 153 TYR CE1 . 19413 1 1646 . 1 1 155 155 TYR N N 15 124.782 0.200 . 1 . . . . 153 TYR N . 19413 1 1647 . 1 1 156 156 VAL H H 1 9.441 0.020 . 1 . . . . 154 VAL H . 19413 1 1648 . 1 1 156 156 VAL HB H 1 2.020 0.020 . 1 . . . . 154 VAL HB . 19413 1 1649 . 1 1 156 156 VAL HG21 H 1 0.974 0.020 . 2 . . . . 154 VAL QG2 . 19413 1 1650 . 1 1 156 156 VAL HG22 H 1 0.974 0.020 . 2 . . . . 154 VAL QG2 . 19413 1 1651 . 1 1 156 156 VAL HG23 H 1 0.974 0.020 . 2 . . . . 154 VAL QG2 . 19413 1 1652 . 1 1 156 156 VAL CB C 13 34.660 0.200 . 1 . . . . 154 VAL CB . 19413 1 1653 . 1 1 156 156 VAL CG2 C 13 22.461 0.200 . 2 . . . . 154 VAL CG2 . 19413 1 1654 . 1 1 156 156 VAL N N 15 121.914 0.200 . 1 . . . . 154 VAL N . 19413 1 1655 . 1 1 157 157 ASN HA H 1 4.739 0.020 . 1 . . . . 155 ASN HA . 19413 1 1656 . 1 1 157 157 ASN HB2 H 1 3.350 0.020 . 2 . . . . 155 ASN HB2 . 19413 1 1657 . 1 1 157 157 ASN HB3 H 1 2.880 0.020 . 2 . . . . 155 ASN HB3 . 19413 1 1658 . 1 1 157 157 ASN CA C 13 54.473 0.200 . 1 . . . . 155 ASN CA . 19413 1 1659 . 1 1 157 157 ASN CB C 13 37.154 0.200 . 1 . . . . 155 ASN CB . 19413 1 1660 . 1 1 158 158 GLY H H 1 9.354 0.020 . 1 . . . . 156 GLY H . 19413 1 1661 . 1 1 158 158 GLY HA2 H 1 4.340 0.020 . 2 . . . . 156 GLY HA2 . 19413 1 1662 . 1 1 158 158 GLY HA3 H 1 3.390 0.020 . 2 . . . . 156 GLY HA3 . 19413 1 1663 . 1 1 158 158 GLY CA C 13 46.186 0.200 . 1 . . . . 156 GLY CA . 19413 1 1664 . 1 1 158 158 GLY N N 15 106.059 0.200 . 1 . . . . 156 GLY N . 19413 1 1665 . 1 1 159 159 LYS H H 1 7.877 0.020 . 1 . . . . 157 LYS H . 19413 1 1666 . 1 1 159 159 LYS HA H 1 4.552 0.020 . 1 . . . . 157 LYS HA . 19413 1 1667 . 1 1 159 159 LYS HB2 H 1 1.291 0.020 . 2 . . . . 157 LYS HB2 . 19413 1 1668 . 1 1 159 159 LYS HB3 H 1 1.056 0.020 . 2 . . . . 157 LYS HB3 . 19413 1 1669 . 1 1 159 159 LYS HG2 H 1 0.932 0.020 . 2 . . . . 157 LYS HG2 . 19413 1 1670 . 1 1 159 159 LYS HG3 H 1 0.804 0.020 . 2 . . . . 157 LYS HG3 . 19413 1 1671 . 1 1 159 159 LYS HD2 H 1 1.522 0.020 . 2 . . . . 157 LYS QD . 19413 1 1672 . 1 1 159 159 LYS HD3 H 1 1.522 0.020 . 2 . . . . 157 LYS QD . 19413 1 1673 . 1 1 159 159 LYS HE2 H 1 2.886 0.020 . 2 . . . . 157 LYS QE . 19413 1 1674 . 1 1 159 159 LYS HE3 H 1 2.886 0.020 . 2 . . . . 157 LYS QE . 19413 1 1675 . 1 1 159 159 LYS CA C 13 56.755 0.200 . 1 . . . . 157 LYS CA . 19413 1 1676 . 1 1 159 159 LYS CB C 13 36.788 0.200 . 1 . . . . 157 LYS CB . 19413 1 1677 . 1 1 159 159 LYS CG C 13 24.613 0.200 . 1 . . . . 157 LYS CG . 19413 1 1678 . 1 1 159 159 LYS CD C 13 29.670 0.200 . 1 . . . . 157 LYS CD . 19413 1 1679 . 1 1 159 159 LYS CE C 13 41.863 0.200 . 1 . . . . 157 LYS CE . 19413 1 1680 . 1 1 159 159 LYS N N 15 114.357 0.200 . 1 . . . . 157 LYS N . 19413 1 1681 . 1 1 160 160 TYR H H 1 7.876 0.020 . 1 . . . . 158 TYR H . 19413 1 1682 . 1 1 160 160 TYR HA H 1 5.864 0.020 . 1 . . . . 158 TYR HA . 19413 1 1683 . 1 1 160 160 TYR HB2 H 1 2.962 0.020 . 2 . . . . 158 TYR HB2 . 19413 1 1684 . 1 1 160 160 TYR HB3 H 1 2.689 0.020 . 2 . . . . 158 TYR HB3 . 19413 1 1685 . 1 1 160 160 TYR HD1 H 1 7.113 0.020 . 3 . . . . 158 TYR QD . 19413 1 1686 . 1 1 160 160 TYR HD2 H 1 7.113 0.020 . 3 . . . . 158 TYR QD . 19413 1 1687 . 1 1 160 160 TYR HE1 H 1 6.983 0.020 . 3 . . . . 158 TYR QE . 19413 1 1688 . 1 1 160 160 TYR HE2 H 1 6.983 0.020 . 3 . . . . 158 TYR QE . 19413 1 1689 . 1 1 160 160 TYR CA C 13 54.856 0.200 . 1 . . . . 158 TYR CA . 19413 1 1690 . 1 1 160 160 TYR CB C 13 42.879 0.200 . 1 . . . . 158 TYR CB . 19413 1 1691 . 1 1 160 160 TYR CD1 C 13 134.495 0.200 . 3 . . . . 158 TYR CD1 . 19413 1 1692 . 1 1 160 160 TYR CE1 C 13 117.791 0.200 . 3 . . . . 158 TYR CE1 . 19413 1 1693 . 1 1 160 160 TYR N N 15 117.9 0.200 . 1 . . . . 158 TYR N . 19413 1 1694 . 1 1 161 161 GLN H H 1 9.701 0.020 . 1 . . . . 159 GLN H . 19413 1 1695 . 1 1 161 161 GLN HA H 1 4.753 0.020 . 1 . . . . 159 GLN HA . 19413 1 1696 . 1 1 161 161 GLN HB2 H 1 2.035 0.020 . 2 . . . . 159 GLN HB2 . 19413 1 1697 . 1 1 161 161 GLN HB3 H 1 1.950 0.020 . 2 . . . . 159 GLN HB3 . 19413 1 1698 . 1 1 161 161 GLN HG2 H 1 1.847 0.020 . 2 . . . . 159 GLN QG . 19413 1 1699 . 1 1 161 161 GLN HG3 H 1 1.847 0.020 . 2 . . . . 159 GLN QG . 19413 1 1700 . 1 1 161 161 GLN CA C 13 53.406 0.200 . 1 . . . . 159 GLN CA . 19413 1 1701 . 1 1 161 161 GLN CB C 13 31.849 0.200 . 1 . . . . 159 GLN CB . 19413 1 1702 . 1 1 161 161 GLN CG C 13 35.219 0.200 . 1 . . . . 159 GLN CG . 19413 1 1703 . 1 1 161 161 GLN N N 15 125.094 0.200 . 1 . . . . 159 GLN N . 19413 1 1704 . 1 1 162 162 LEU H H 1 8.551 0.020 . 1 . . . . 160 LEU H . 19413 1 1705 . 1 1 162 162 LEU HA H 1 4.011 0.020 . 1 . . . . 160 LEU HA . 19413 1 1706 . 1 1 162 162 LEU HB2 H 1 2.044 0.020 . 2 . . . . 160 LEU HB2 . 19413 1 1707 . 1 1 162 162 LEU HB3 H 1 1.286 0.020 . 2 . . . . 160 LEU HB3 . 19413 1 1708 . 1 1 162 162 LEU HG H 1 1.749 0.020 . 1 . . . . 160 LEU HG . 19413 1 1709 . 1 1 162 162 LEU HD11 H 1 0.384 0.020 . 1 . . . . 160 LEU QD1 . 19413 1 1710 . 1 1 162 162 LEU HD12 H 1 0.384 0.020 . 1 . . . . 160 LEU QD1 . 19413 1 1711 . 1 1 162 162 LEU HD13 H 1 0.384 0.020 . 1 . . . . 160 LEU QD1 . 19413 1 1712 . 1 1 162 162 LEU HD21 H 1 0.525 0.020 . 1 . . . . 160 LEU QD2 . 19413 1 1713 . 1 1 162 162 LEU HD22 H 1 0.525 0.020 . 1 . . . . 160 LEU QD2 . 19413 1 1714 . 1 1 162 162 LEU HD23 H 1 0.525 0.020 . 1 . . . . 160 LEU QD2 . 19413 1 1715 . 1 1 162 162 LEU CA C 13 53.995 0.200 . 1 . . . . 160 LEU CA . 19413 1 1716 . 1 1 162 162 LEU CB C 13 40.075 0.200 . 1 . . . . 160 LEU CB . 19413 1 1717 . 1 1 162 162 LEU CG C 13 27.669 0.200 . 1 . . . . 160 LEU CG . 19413 1 1718 . 1 1 162 162 LEU CD1 C 13 24.142 0.200 . 1 . . . . 160 LEU CD1 . 19413 1 1719 . 1 1 162 162 LEU CD2 C 13 22.680 0.200 . 1 . . . . 160 LEU CD2 . 19413 1 1720 . 1 1 162 162 LEU N N 15 131.941 0.200 . 1 . . . . 160 LEU N . 19413 1 1721 . 1 1 163 163 ASN H H 1 8.285 0.020 . 1 . . . . 161 ASN H . 19413 1 1722 . 1 1 163 163 ASN HA H 1 5.496 0.020 . 1 . . . . 161 ASN HA . 19413 1 1723 . 1 1 163 163 ASN HB2 H 1 3.202 0.020 . 2 . . . . 161 ASN HB2 . 19413 1 1724 . 1 1 163 163 ASN HB3 H 1 1.866 0.020 . 2 . . . . 161 ASN HB3 . 19413 1 1725 . 1 1 163 163 ASN HD21 H 1 7.039 0.020 . 2 . . . . 161 ASN HD21 . 19413 1 1726 . 1 1 163 163 ASN HD22 H 1 7.717 0.020 . 2 . . . . 161 ASN HD22 . 19413 1 1727 . 1 1 163 163 ASN CA C 13 49.769 0.200 . 1 . . . . 161 ASN CA . 19413 1 1728 . 1 1 163 163 ASN CB C 13 38.911 0.200 . 1 . . . . 161 ASN CB . 19413 1 1729 . 1 1 163 163 ASN N N 15 118.639 0.200 . 1 . . . . 161 ASN N . 19413 1 1730 . 1 1 163 163 ASN ND2 N 15 113.316 0.200 . 1 . . . . 161 ASN ND2 . 19413 1 1731 . 1 1 164 164 PRO HA H 1 4.789 0.020 . 1 . . . . 162 PRO HA . 19413 1 1732 . 1 1 164 164 PRO HB2 H 1 2.668 0.020 . 2 . . . . 162 PRO HB2 . 19413 1 1733 . 1 1 164 164 PRO HB3 H 1 2.493 0.020 . 2 . . . . 162 PRO HB3 . 19413 1 1734 . 1 1 164 164 PRO HG2 H 1 2.437 0.020 . 2 . . . . 162 PRO QG . 19413 1 1735 . 1 1 164 164 PRO HG3 H 1 2.437 0.020 . 2 . . . . 162 PRO QG . 19413 1 1736 . 1 1 164 164 PRO HD2 H 1 4.253 0.020 . 2 . . . . 162 PRO HD2 . 19413 1 1737 . 1 1 164 164 PRO HD3 H 1 3.559 0.020 . 2 . . . . 162 PRO HD3 . 19413 1 1738 . 1 1 164 164 PRO CA C 13 64.774 0.200 . 1 . . . . 162 PRO CA . 19413 1 1739 . 1 1 164 164 PRO CB C 13 32.178 0.200 . 1 . . . . 162 PRO CB . 19413 1 1740 . 1 1 164 164 PRO CG C 13 27.814 0.200 . 1 . . . . 162 PRO CG . 19413 1 1741 . 1 1 164 164 PRO CD C 13 50.682 0.200 . 1 . . . . 162 PRO CD . 19413 1 1742 . 1 1 165 165 GLN H H 1 8.086 0.020 . 1 . . . . 163 GLN H . 19413 1 1743 . 1 1 165 165 GLN HA H 1 4.226 0.020 . 1 . . . . 163 GLN HA . 19413 1 1744 . 1 1 165 165 GLN HB2 H 1 2.124 0.020 . 2 . . . . 163 GLN QB . 19413 1 1745 . 1 1 165 165 GLN HB3 H 1 2.124 0.020 . 2 . . . . 163 GLN QB . 19413 1 1746 . 1 1 165 165 GLN HG2 H 1 2.469 0.020 . 2 . . . . 163 GLN QG . 19413 1 1747 . 1 1 165 165 GLN HG3 H 1 2.469 0.020 . 2 . . . . 163 GLN QG . 19413 1 1748 . 1 1 165 165 GLN CA C 13 57.966 0.200 . 1 . . . . 163 GLN CA . 19413 1 1749 . 1 1 165 165 GLN CB C 13 27.976 0.200 . 1 . . . . 163 GLN CB . 19413 1 1750 . 1 1 165 165 GLN CG C 13 34.297 0.200 . 1 . . . . 163 GLN CG . 19413 1 1751 . 1 1 165 165 GLN N N 15 116.006 0.200 . 1 . . . . 163 GLN N . 19413 1 1752 . 1 1 166 166 GLY H H 1 8.030 0.020 . 1 . . . . 164 GLY H . 19413 1 1753 . 1 1 166 166 GLY HA2 H 1 4.319 0.020 . 2 . . . . 164 GLY HA2 . 19413 1 1754 . 1 1 166 166 GLY HA3 H 1 3.716 0.020 . 2 . . . . 164 GLY HA3 . 19413 1 1755 . 1 1 166 166 GLY CA C 13 44.603 0.200 . 1 . . . . 164 GLY CA . 19413 1 1756 . 1 1 166 166 GLY N N 15 107.393 0.200 . 1 . . . . 164 GLY N . 19413 1 1757 . 1 1 167 167 MET H H 1 7.451 0.020 . 1 . . . . 165 MET H . 19413 1 1758 . 1 1 167 167 MET HA H 1 4.636 0.020 . 1 . . . . 165 MET HA . 19413 1 1759 . 1 1 167 167 MET HB2 H 1 2.598 0.020 . 2 . . . . 165 MET HB2 . 19413 1 1760 . 1 1 167 167 MET HB3 H 1 2.498 0.020 . 2 . . . . 165 MET HB3 . 19413 1 1761 . 1 1 167 167 MET HG2 H 1 2.272 0.020 . 2 . . . . 165 MET QG . 19413 1 1762 . 1 1 167 167 MET HG3 H 1 2.272 0.020 . 2 . . . . 165 MET QG . 19413 1 1763 . 1 1 167 167 MET HE1 H 1 1.831 0.020 . 1 . . . . 165 MET QE . 19413 1 1764 . 1 1 167 167 MET HE2 H 1 1.831 0.020 . 1 . . . . 165 MET QE . 19413 1 1765 . 1 1 167 167 MET HE3 H 1 1.831 0.020 . 1 . . . . 165 MET QE . 19413 1 1766 . 1 1 167 167 MET CA C 13 54.567 0.200 . 1 . . . . 165 MET CA . 19413 1 1767 . 1 1 167 167 MET CB C 13 34.464 0.200 . 1 . . . . 165 MET CB . 19413 1 1768 . 1 1 167 167 MET CG C 13 34.267 0.200 . 1 . . . . 165 MET CG . 19413 1 1769 . 1 1 167 167 MET CE C 13 19.191 0.200 . 1 . . . . 165 MET CE . 19413 1 1770 . 1 1 167 167 MET N N 15 119.802 0.200 . 1 . . . . 165 MET N . 19413 1 1771 . 1 1 168 168 ASP H H 1 8.694 0.020 . 1 . . . . 166 ASP H . 19413 1 1772 . 1 1 168 168 ASP HA H 1 4.633 0.020 . 1 . . . . 166 ASP HA . 19413 1 1773 . 1 1 168 168 ASP HB2 H 1 2.972 0.020 . 2 . . . . 166 ASP HB2 . 19413 1 1774 . 1 1 168 168 ASP HB3 H 1 2.636 0.020 . 2 . . . . 166 ASP HB3 . 19413 1 1775 . 1 1 168 168 ASP CA C 13 54.181 0.200 . 1 . . . . 166 ASP CA . 19413 1 1776 . 1 1 168 168 ASP CB C 13 40.653 0.200 . 1 . . . . 166 ASP CB . 19413 1 1777 . 1 1 168 168 ASP N N 15 121.681 0.200 . 1 . . . . 166 ASP N . 19413 1 1778 . 1 1 169 169 THR H H 1 7.860 0.020 . 1 . . . . 167 THR H . 19413 1 1779 . 1 1 169 169 THR HA H 1 4.224 0.020 . 1 . . . . 167 THR HA . 19413 1 1780 . 1 1 169 169 THR HB H 1 4.371 0.020 . 1 . . . . 167 THR HB . 19413 1 1781 . 1 1 169 169 THR HG21 H 1 0.951 0.020 . 1 . . . . 167 THR QG2 . 19413 1 1782 . 1 1 169 169 THR HG22 H 1 0.951 0.020 . 1 . . . . 167 THR QG2 . 19413 1 1783 . 1 1 169 169 THR HG23 H 1 0.951 0.020 . 1 . . . . 167 THR QG2 . 19413 1 1784 . 1 1 169 169 THR CA C 13 60.340 0.200 . 1 . . . . 167 THR CA . 19413 1 1785 . 1 1 169 169 THR CB C 13 68.416 0.200 . 1 . . . . 167 THR CB . 19413 1 1786 . 1 1 169 169 THR CG2 C 13 21.648 0.200 . 1 . . . . 167 THR CG2 . 19413 1 1787 . 1 1 169 169 THR N N 15 112.609 0.200 . 1 . . . . 167 THR N . 19413 1 1788 . 1 1 170 170 SER H H 1 8.739 0.020 . 1 . . . . 168 SER H . 19413 1 1789 . 1 1 170 170 SER HA H 1 4.158 0.020 . 1 . . . . 168 SER HA . 19413 1 1790 . 1 1 170 170 SER HB2 H 1 3.961 0.020 . 2 . . . . 168 SER QB . 19413 1 1791 . 1 1 170 170 SER HB3 H 1 3.961 0.020 . 2 . . . . 168 SER QB . 19413 1 1792 . 1 1 170 170 SER CA C 13 60.874 0.200 . 1 . . . . 168 SER CA . 19413 1 1793 . 1 1 170 170 SER CB C 13 63.123 0.200 . 1 . . . . 168 SER CB . 19413 1 1794 . 1 1 170 170 SER N N 15 118.936 0.200 . 1 . . . . 168 SER N . 19413 1 1795 . 1 1 171 171 ASN H H 1 7.341 0.020 . 1 . . . . 169 ASN H . 19413 1 1796 . 1 1 171 171 ASN HA H 1 4.773 0.020 . 1 . . . . 169 ASN HA . 19413 1 1797 . 1 1 171 171 ASN HB2 H 1 2.878 0.020 . 2 . . . . 169 ASN HB2 . 19413 1 1798 . 1 1 171 171 ASN HB3 H 1 2.798 0.020 . 2 . . . . 169 ASN HB3 . 19413 1 1799 . 1 1 171 171 ASN HD21 H 1 7.165 0.020 . 2 . . . . 169 ASN HD21 . 19413 1 1800 . 1 1 171 171 ASN HD22 H 1 7.797 0.020 . 2 . . . . 169 ASN HD22 . 19413 1 1801 . 1 1 171 171 ASN CA C 13 52.348 0.200 . 1 . . . . 169 ASN CA . 19413 1 1802 . 1 1 171 171 ASN CB C 13 40.692 0.200 . 1 . . . . 169 ASN CB . 19413 1 1803 . 1 1 171 171 ASN N N 15 117.875 0.200 . 1 . . . . 169 ASN N . 19413 1 1804 . 1 1 171 171 ASN ND2 N 15 114.968 0.200 . 1 . . . . 169 ASN ND2 . 19413 1 1805 . 1 1 172 172 MET H H 1 9.186 0.020 . 1 . . . . 170 MET H . 19413 1 1806 . 1 1 172 172 MET HA H 1 4.600 0.020 . 1 . . . . 170 MET HA . 19413 1 1807 . 1 1 172 172 MET HB2 H 1 2.018 0.020 . 2 . . . . 170 MET HB2 . 19413 1 1808 . 1 1 172 172 MET HB3 H 1 2.515 0.020 . 2 . . . . 170 MET HB3 . 19413 1 1809 . 1 1 172 172 MET HG2 H 1 2.166 0.020 . 2 . . . . 170 MET HG2 . 19413 1 1810 . 1 1 172 172 MET HG3 H 1 2.835 0.020 . 2 . . . . 170 MET HG3 . 19413 1 1811 . 1 1 172 172 MET HE1 H 1 1.838 0.020 . 1 . . . . 170 MET QE . 19413 1 1812 . 1 1 172 172 MET HE2 H 1 1.838 0.020 . 1 . . . . 170 MET QE . 19413 1 1813 . 1 1 172 172 MET HE3 H 1 1.838 0.020 . 1 . . . . 170 MET QE . 19413 1 1814 . 1 1 172 172 MET CA C 13 57.233 0.200 . 1 . . . . 170 MET CA . 19413 1 1815 . 1 1 172 172 MET CB C 13 32.751 0.200 . 1 . . . . 170 MET CB . 19413 1 1816 . 1 1 172 172 MET CG C 13 32.759 0.200 . 1 . . . . 170 MET CG . 19413 1 1817 . 1 1 172 172 MET CE C 13 18.130 0.200 . 1 . . . . 170 MET CE . 19413 1 1818 . 1 1 172 172 MET N N 15 123.431 0.200 . 1 . . . . 170 MET N . 19413 1 1819 . 1 1 173 173 ASP H H 1 8.232 0.020 . 1 . . . . 171 ASP H . 19413 1 1820 . 1 1 173 173 ASP HA H 1 4.493 0.020 . 1 . . . . 171 ASP HA . 19413 1 1821 . 1 1 173 173 ASP HB2 H 1 2.681 0.020 . 2 . . . . 171 ASP HB2 . 19413 1 1822 . 1 1 173 173 ASP HB3 H 1 2.816 0.020 . 2 . . . . 171 ASP HB3 . 19413 1 1823 . 1 1 173 173 ASP CA C 13 57.506 0.200 . 1 . . . . 171 ASP CA . 19413 1 1824 . 1 1 173 173 ASP CB C 13 39.788 0.200 . 1 . . . . 171 ASP CB . 19413 1 1825 . 1 1 173 173 ASP N N 15 120.825 0.200 . 1 . . . . 171 ASP N . 19413 1 1826 . 1 1 174 174 VAL H H 1 7.872 0.020 . 1 . . . . 172 VAL H . 19413 1 1827 . 1 1 174 174 VAL HA H 1 3.778 0.020 . 1 . . . . 172 VAL HA . 19413 1 1828 . 1 1 174 174 VAL HB H 1 2.139 0.020 . 1 . . . . 172 VAL HB . 19413 1 1829 . 1 1 174 174 VAL HG11 H 1 1.068 0.020 . 1 . . . . 172 VAL QG1 . 19413 1 1830 . 1 1 174 174 VAL HG12 H 1 1.068 0.020 . 1 . . . . 172 VAL QG1 . 19413 1 1831 . 1 1 174 174 VAL HG13 H 1 1.068 0.020 . 1 . . . . 172 VAL QG1 . 19413 1 1832 . 1 1 174 174 VAL HG21 H 1 1.018 0.020 . 1 . . . . 172 VAL QG2 . 19413 1 1833 . 1 1 174 174 VAL HG22 H 1 1.018 0.020 . 1 . . . . 172 VAL QG2 . 19413 1 1834 . 1 1 174 174 VAL HG23 H 1 1.018 0.020 . 1 . . . . 172 VAL QG2 . 19413 1 1835 . 1 1 174 174 VAL CA C 13 65.539 0.200 . 1 . . . . 172 VAL CA . 19413 1 1836 . 1 1 174 174 VAL CB C 13 31.855 0.200 . 1 . . . . 172 VAL CB . 19413 1 1837 . 1 1 174 174 VAL CG1 C 13 21.094 0.200 . 1 . . . . 172 VAL CG1 . 19413 1 1838 . 1 1 174 174 VAL CG2 C 13 22.007 0.200 . 1 . . . . 172 VAL CG2 . 19413 1 1839 . 1 1 174 174 VAL N N 15 122.666 0.200 . 1 . . . . 172 VAL N . 19413 1 1840 . 1 1 175 175 PHE H H 1 8.250 0.020 . 1 . . . . 173 PHE H . 19413 1 1841 . 1 1 175 175 PHE HA H 1 4.380 0.020 . 1 . . . . 173 PHE HA . 19413 1 1842 . 1 1 175 175 PHE HB2 H 1 3.821 0.020 . 2 . . . . 173 PHE HB2 . 19413 1 1843 . 1 1 175 175 PHE HB3 H 1 3.212 0.020 . 2 . . . . 173 PHE HB3 . 19413 1 1844 . 1 1 175 175 PHE HD1 H 1 7.123 0.020 . 3 . . . . 173 PHE QD . 19413 1 1845 . 1 1 175 175 PHE HD2 H 1 7.123 0.020 . 3 . . . . 173 PHE QD . 19413 1 1846 . 1 1 175 175 PHE CA C 13 61.464 0.200 . 1 . . . . 173 PHE CA . 19413 1 1847 . 1 1 175 175 PHE CB C 13 39.274 0.200 . 1 . . . . 173 PHE CB . 19413 1 1848 . 1 1 175 175 PHE CD1 C 13 132.300 0.200 . 3 . . . . 173 PHE CD1 . 19413 1 1849 . 1 1 175 175 PHE CD2 C 13 132.300 0.200 . 3 . . . . 173 PHE CD2 . 19413 1 1850 . 1 1 175 175 PHE N N 15 121.872 0.200 . 1 . . . . 173 PHE N . 19413 1 1851 . 1 1 176 176 VAL H H 1 8.138 0.020 . 1 . . . . 174 VAL H . 19413 1 1852 . 1 1 176 176 VAL HA H 1 3.043 0.020 . 1 . . . . 174 VAL HA . 19413 1 1853 . 1 1 176 176 VAL HB H 1 2.070 0.020 . 1 . . . . 174 VAL HB . 19413 1 1854 . 1 1 176 176 VAL HG11 H 1 0.876 0.020 . 1 . . . . 174 VAL QG1 . 19413 1 1855 . 1 1 176 176 VAL HG12 H 1 0.876 0.020 . 1 . . . . 174 VAL QG1 . 19413 1 1856 . 1 1 176 176 VAL HG13 H 1 0.876 0.020 . 1 . . . . 174 VAL QG1 . 19413 1 1857 . 1 1 176 176 VAL HG21 H 1 1.178 0.020 . 1 . . . . 174 VAL QG2 . 19413 1 1858 . 1 1 176 176 VAL HG22 H 1 1.178 0.020 . 1 . . . . 174 VAL QG2 . 19413 1 1859 . 1 1 176 176 VAL HG23 H 1 1.178 0.020 . 1 . . . . 174 VAL QG2 . 19413 1 1860 . 1 1 176 176 VAL CA C 13 66.903 0.200 . 1 . . . . 174 VAL CA . 19413 1 1861 . 1 1 176 176 VAL CB C 13 31.371 0.200 . 1 . . . . 174 VAL CB . 19413 1 1862 . 1 1 176 176 VAL CG1 C 13 21.552 0.200 . 1 . . . . 174 VAL CG1 . 19413 1 1863 . 1 1 176 176 VAL CG2 C 13 24.330 0.200 . 1 . . . . 174 VAL CG2 . 19413 1 1864 . 1 1 176 176 VAL N N 15 117.535 0.200 . 1 . . . . 174 VAL N . 19413 1 1865 . 1 1 177 177 ALA H H 1 7.396 0.020 . 1 . . . . 175 ALA H . 19413 1 1866 . 1 1 177 177 ALA HA H 1 4.126 0.020 . 1 . . . . 175 ALA HA . 19413 1 1867 . 1 1 177 177 ALA HB1 H 1 1.508 0.020 . 1 . . . . 175 ALA QB . 19413 1 1868 . 1 1 177 177 ALA HB2 H 1 1.508 0.020 . 1 . . . . 175 ALA QB . 19413 1 1869 . 1 1 177 177 ALA HB3 H 1 1.508 0.020 . 1 . . . . 175 ALA QB . 19413 1 1870 . 1 1 177 177 ALA CA C 13 54.768 0.200 . 1 . . . . 175 ALA CA . 19413 1 1871 . 1 1 177 177 ALA CB C 13 18.015 0.200 . 1 . . . . 175 ALA CB . 19413 1 1872 . 1 1 177 177 ALA N N 15 121.129 0.200 . 1 . . . . 175 ALA N . 19413 1 1873 . 1 1 178 178 GLN H H 1 8.721 0.020 . 1 . . . . 176 GLN H . 19413 1 1874 . 1 1 178 178 GLN HA H 1 4.079 0.020 . 1 . . . . 176 GLN HA . 19413 1 1875 . 1 1 178 178 GLN HB2 H 1 2.264 0.020 . 2 . . . . 176 GLN HB2 . 19413 1 1876 . 1 1 178 178 GLN HB3 H 1 2.146 0.020 . 2 . . . . 176 GLN HB3 . 19413 1 1877 . 1 1 178 178 GLN HG2 H 1 2.303 0.020 . 2 . . . . 176 GLN HG2 . 19413 1 1878 . 1 1 178 178 GLN HG3 H 1 2.721 0.020 . 2 . . . . 176 GLN HG3 . 19413 1 1879 . 1 1 178 178 GLN HE21 H 1 7.108 0.020 . 2 . . . . 176 GLN HE21 . 19413 1 1880 . 1 1 178 178 GLN HE22 H 1 7.533 0.020 . 2 . . . . 176 GLN HE22 . 19413 1 1881 . 1 1 178 178 GLN CA C 13 58.962 0.200 . 1 . . . . 176 GLN CA . 19413 1 1882 . 1 1 178 178 GLN CB C 13 28.049 0.200 . 1 . . . . 176 GLN CB . 19413 1 1883 . 1 1 178 178 GLN CG C 13 34.486 0.200 . 1 . . . . 176 GLN CG . 19413 1 1884 . 1 1 178 178 GLN N N 15 120.043 0.200 . 1 . . . . 176 GLN N . 19413 1 1885 . 1 1 178 178 GLN NE2 N 15 110.71 0.200 . 1 . . . . 176 GLN NE2 . 19413 1 1886 . 1 1 179 179 TYR H H 1 9.002 0.020 . 1 . . . . 177 TYR H . 19413 1 1887 . 1 1 179 179 TYR HA H 1 3.591 0.020 . 1 . . . . 177 TYR HA . 19413 1 1888 . 1 1 179 179 TYR HB2 H 1 2.785 0.020 . 2 . . . . 177 TYR HB2 . 19413 1 1889 . 1 1 179 179 TYR HB3 H 1 2.314 0.020 . 2 . . . . 177 TYR HB3 . 19413 1 1890 . 1 1 179 179 TYR HD1 H 1 6.573 0.020 . 3 . . . . 177 TYR QD . 19413 1 1891 . 1 1 179 179 TYR HD2 H 1 6.573 0.020 . 3 . . . . 177 TYR QD . 19413 1 1892 . 1 1 179 179 TYR HE1 H 1 6.719 0.020 . 3 . . . . 177 TYR QE . 19413 1 1893 . 1 1 179 179 TYR HE2 H 1 6.719 0.020 . 3 . . . . 177 TYR QE . 19413 1 1894 . 1 1 179 179 TYR CA C 13 61.562 0.200 . 1 . . . . 177 TYR CA . 19413 1 1895 . 1 1 179 179 TYR CB C 13 37.978 0.200 . 1 . . . . 177 TYR CB . 19413 1 1896 . 1 1 179 179 TYR CD1 C 13 132.595 0.200 . 3 . . . . 177 TYR CD1 . 19413 1 1897 . 1 1 179 179 TYR CD2 C 13 132.590 0.200 . 3 . . . . 177 TYR CD2 . 19413 1 1898 . 1 1 179 179 TYR CE1 C 13 116.882 0.200 . 3 . . . . 177 TYR CE1 . 19413 1 1899 . 1 1 179 179 TYR CE2 C 13 116.880 0.200 . 3 . . . . 177 TYR CE2 . 19413 1 1900 . 1 1 179 179 TYR N N 15 127.981 0.200 . 1 . . . . 177 TYR N . 19413 1 1901 . 1 1 180 180 ALA H H 1 8.392 0.020 . 1 . . . . 178 ALA H . 19413 1 1902 . 1 1 180 180 ALA HA H 1 4.030 0.020 . 1 . . . . 178 ALA HA . 19413 1 1903 . 1 1 180 180 ALA HB1 H 1 1.367 0.020 . 1 . . . . 178 ALA QB . 19413 1 1904 . 1 1 180 180 ALA HB2 H 1 1.367 0.020 . 1 . . . . 178 ALA QB . 19413 1 1905 . 1 1 180 180 ALA HB3 H 1 1.367 0.020 . 1 . . . . 178 ALA QB . 19413 1 1906 . 1 1 180 180 ALA CA C 13 55.405 0.200 . 1 . . . . 178 ALA CA . 19413 1 1907 . 1 1 180 180 ALA CB C 13 17.969 0.200 . 1 . . . . 178 ALA CB . 19413 1 1908 . 1 1 180 180 ALA N N 15 119.796 0.200 . 1 . . . . 178 ALA N . 19413 1 1909 . 1 1 181 181 ASP H H 1 8.379 0.020 . 1 . . . . 179 ASP H . 19413 1 1910 . 1 1 181 181 ASP HA H 1 4.419 0.020 . 1 . . . . 179 ASP HA . 19413 1 1911 . 1 1 181 181 ASP HB2 H 1 2.769 0.020 . 2 . . . . 179 ASP HB2 . 19413 1 1912 . 1 1 181 181 ASP HB3 H 1 2.602 0.020 . 2 . . . . 179 ASP HB3 . 19413 1 1913 . 1 1 181 181 ASP CA C 13 57.296 0.200 . 1 . . . . 179 ASP CA . 19413 1 1914 . 1 1 181 181 ASP CB C 13 41.803 0.200 . 1 . . . . 179 ASP CB . 19413 1 1915 . 1 1 181 181 ASP N N 15 117.823 0.200 . 1 . . . . 179 ASP N . 19413 1 1916 . 1 1 182 182 THR H H 1 8.255 0.020 . 1 . . . . 180 THR H . 19413 1 1917 . 1 1 182 182 THR HA H 1 4.179 0.020 . 1 . . . . 180 THR HA . 19413 1 1918 . 1 1 182 182 THR HB H 1 3.613 0.020 . 1 . . . . 180 THR HB . 19413 1 1919 . 1 1 182 182 THR HG21 H 1 0.909 0.020 . 1 . . . . 180 THR QG2 . 19413 1 1920 . 1 1 182 182 THR HG22 H 1 0.909 0.020 . 1 . . . . 180 THR QG2 . 19413 1 1921 . 1 1 182 182 THR HG23 H 1 0.909 0.020 . 1 . . . . 180 THR QG2 . 19413 1 1922 . 1 1 182 182 THR CA C 13 67.378 0.200 . 1 . . . . 180 THR CA . 19413 1 1923 . 1 1 182 182 THR CB C 13 67.733 0.200 . 1 . . . . 180 THR CB . 19413 1 1924 . 1 1 182 182 THR CG2 C 13 21.412 0.200 . 1 . . . . 180 THR CG2 . 19413 1 1925 . 1 1 182 182 THR N N 15 117.846 0.200 . 1 . . . . 180 THR N . 19413 1 1926 . 1 1 183 183 VAL H H 1 7.772 0.020 . 1 . . . . 181 VAL H . 19413 1 1927 . 1 1 183 183 VAL HA H 1 3.181 0.020 . 1 . . . . 181 VAL HA . 19413 1 1928 . 1 1 183 183 VAL HB H 1 2.168 0.020 . 1 . . . . 181 VAL HB . 19413 1 1929 . 1 1 183 183 VAL HG11 H 1 0.865 0.020 . 1 . . . . 181 VAL QG1 . 19413 1 1930 . 1 1 183 183 VAL HG12 H 1 0.865 0.020 . 1 . . . . 181 VAL QG1 . 19413 1 1931 . 1 1 183 183 VAL HG13 H 1 0.865 0.020 . 1 . . . . 181 VAL QG1 . 19413 1 1932 . 1 1 183 183 VAL HG21 H 1 1.036 0.020 . 1 . . . . 181 VAL QG2 . 19413 1 1933 . 1 1 183 183 VAL HG22 H 1 1.036 0.020 . 1 . . . . 181 VAL QG2 . 19413 1 1934 . 1 1 183 183 VAL HG23 H 1 1.036 0.020 . 1 . . . . 181 VAL QG2 . 19413 1 1935 . 1 1 183 183 VAL CA C 13 67.780 0.200 . 1 . . . . 181 VAL CA . 19413 1 1936 . 1 1 183 183 VAL CB C 13 30.931 0.200 . 1 . . . . 181 VAL CB . 19413 1 1937 . 1 1 183 183 VAL CG1 C 13 23.028 0.200 . 1 . . . . 181 VAL CG1 . 19413 1 1938 . 1 1 183 183 VAL CG2 C 13 23.973 0.200 . 1 . . . . 181 VAL CG2 . 19413 1 1939 . 1 1 183 183 VAL N N 15 120.101 0.200 . 1 . . . . 181 VAL N . 19413 1 1940 . 1 1 184 184 LYS H H 1 7.758 0.020 . 1 . . . . 182 LYS H . 19413 1 1941 . 1 1 184 184 LYS HA H 1 3.630 0.020 . 1 . . . . 182 LYS HA . 19413 1 1942 . 1 1 184 184 LYS HB2 H 1 2.016 0.020 . 2 . . . . 182 LYS HB2 . 19413 1 1943 . 1 1 184 184 LYS HB3 H 1 1.913 0.020 . 2 . . . . 182 LYS HB3 . 19413 1 1944 . 1 1 184 184 LYS CA C 13 60.361 0.200 . 1 . . . . 182 LYS CA . 19413 1 1945 . 1 1 184 184 LYS CB C 13 32.280 0.200 . 1 . . . . 182 LYS CB . 19413 1 1946 . 1 1 184 184 LYS N N 15 119.144 0.200 . 1 . . . . 182 LYS N . 19413 1 1947 . 1 1 185 185 GLN H H 1 8.114 0.020 . 1 . . . . 183 GLN H . 19413 1 1948 . 1 1 185 185 GLN HA H 1 3.985 0.020 . 1 . . . . 183 GLN HA . 19413 1 1949 . 1 1 185 185 GLN HB2 H 1 2.004 0.020 . 2 . . . . 183 GLN HB2 . 19413 1 1950 . 1 1 185 185 GLN HB3 H 1 1.931 0.020 . 2 . . . . 183 GLN HB3 . 19413 1 1951 . 1 1 185 185 GLN HG2 H 1 2.192 0.020 . 2 . . . . 183 GLN HG2 . 19413 1 1952 . 1 1 185 185 GLN HG3 H 1 2.626 0.020 . 2 . . . . 183 GLN HG3 . 19413 1 1953 . 1 1 185 185 GLN HE21 H 1 7.643 0.020 . 2 . . . . 183 GLN HE21 . 19413 1 1954 . 1 1 185 185 GLN HE22 H 1 6.999 0.020 . 2 . . . . 183 GLN HE22 . 19413 1 1955 . 1 1 185 185 GLN CA C 13 59.283 0.200 . 1 . . . . 183 GLN CA . 19413 1 1956 . 1 1 185 185 GLN CB C 13 29.323 0.200 . 1 . . . . 183 GLN CB . 19413 1 1957 . 1 1 185 185 GLN CG C 13 35.289 0.200 . 1 . . . . 183 GLN CG . 19413 1 1958 . 1 1 185 185 GLN N N 15 116.269 0.200 . 1 . . . . 183 GLN N . 19413 1 1959 . 1 1 185 185 GLN NE2 N 15 114.494 0.200 . 1 . . . . 183 GLN NE2 . 19413 1 1960 . 1 1 186 186 LEU H H 1 8.000 0.020 . 1 . . . . 184 LEU H . 19413 1 1961 . 1 1 186 186 LEU HA H 1 3.635 0.020 . 1 . . . . 184 LEU HA . 19413 1 1962 . 1 1 186 186 LEU HB2 H 1 1.795 0.020 . 2 . . . . 184 LEU HB2 . 19413 1 1963 . 1 1 186 186 LEU HB3 H 1 0.814 0.020 . 2 . . . . 184 LEU HB3 . 19413 1 1964 . 1 1 186 186 LEU HG H 1 1.311 0.020 . 1 . . . . 184 LEU HG . 19413 1 1965 . 1 1 186 186 LEU HD11 H 1 0.197 0.020 . 1 . . . . 184 LEU QD1 . 19413 1 1966 . 1 1 186 186 LEU HD12 H 1 0.197 0.020 . 1 . . . . 184 LEU QD1 . 19413 1 1967 . 1 1 186 186 LEU HD13 H 1 0.197 0.020 . 1 . . . . 184 LEU QD1 . 19413 1 1968 . 1 1 186 186 LEU HD21 H 1 -1.059 0.020 . 1 . . . . 184 LEU QD2 . 19413 1 1969 . 1 1 186 186 LEU HD22 H 1 -1.059 0.020 . 1 . . . . 184 LEU QD2 . 19413 1 1970 . 1 1 186 186 LEU HD23 H 1 -1.059 0.020 . 1 . . . . 184 LEU QD2 . 19413 1 1971 . 1 1 186 186 LEU CA C 13 57.041 0.200 . 1 . . . . 184 LEU CA . 19413 1 1972 . 1 1 186 186 LEU CB C 13 42.060 0.200 . 1 . . . . 184 LEU CB . 19413 1 1973 . 1 1 186 186 LEU CG C 13 24.820 0.200 . 1 . . . . 184 LEU CG . 19413 1 1974 . 1 1 186 186 LEU CD1 C 13 26.171 0.200 . 1 . . . . 184 LEU CD1 . 19413 1 1975 . 1 1 186 186 LEU CD2 C 13 18.659 0.200 . 1 . . . . 184 LEU CD2 . 19413 1 1976 . 1 1 186 186 LEU N N 15 119.688 0.200 . 1 . . . . 184 LEU N . 19413 1 1977 . 1 1 187 187 VAL H H 1 8.494 0.020 . 1 . . . . 185 VAL H . 19413 1 1978 . 1 1 187 187 VAL HA H 1 3.512 0.020 . 1 . . . . 185 VAL HA . 19413 1 1979 . 1 1 187 187 VAL HB H 1 2.191 0.020 . 1 . . . . 185 VAL HB . 19413 1 1980 . 1 1 187 187 VAL HG11 H 1 0.979 0.020 . 2 . . . . 185 VAL QG1 . 19413 1 1981 . 1 1 187 187 VAL HG12 H 1 0.979 0.020 . 2 . . . . 185 VAL QG1 . 19413 1 1982 . 1 1 187 187 VAL HG13 H 1 0.979 0.020 . 2 . . . . 185 VAL QG1 . 19413 1 1983 . 1 1 187 187 VAL HG21 H 1 1.003 0.020 . 2 . . . . 185 VAL QG2 . 19413 1 1984 . 1 1 187 187 VAL HG22 H 1 1.003 0.020 . 2 . . . . 185 VAL QG2 . 19413 1 1985 . 1 1 187 187 VAL HG23 H 1 1.003 0.020 . 2 . . . . 185 VAL QG2 . 19413 1 1986 . 1 1 187 187 VAL CA C 13 65.742 0.200 . 1 . . . . 185 VAL CA . 19413 1 1987 . 1 1 187 187 VAL CB C 13 31.564 0.200 . 1 . . . . 185 VAL CB . 19413 1 1988 . 1 1 187 187 VAL CG1 C 13 21.669 0.200 . 2 . . . . 185 VAL CG1 . 19413 1 1989 . 1 1 187 187 VAL CG2 C 13 24.288 0.200 . 2 . . . . 185 VAL CG2 . 19413 1 1990 . 1 1 187 187 VAL N N 15 121.017 0.200 . 1 . . . . 185 VAL N . 19413 1 1991 . 1 1 188 188 GLU H H 1 7.541 0.020 . 1 . . . . 186 GLU H . 19413 1 1992 . 1 1 188 188 GLU HA H 1 4.120 0.020 . 1 . . . . 186 GLU HA . 19413 1 1993 . 1 1 188 188 GLU HB2 H 1 2.033 0.020 . 2 . . . . 186 GLU HB2 . 19413 1 1994 . 1 1 188 188 GLU HB3 H 1 2.097 0.020 . 2 . . . . 186 GLU HB3 . 19413 1 1995 . 1 1 188 188 GLU HG2 H 1 2.219 0.020 . 2 . . . . 186 GLU HG2 . 19413 1 1996 . 1 1 188 188 GLU HG3 H 1 2.527 0.020 . 2 . . . . 186 GLU HG3 . 19413 1 1997 . 1 1 188 188 GLU CA C 13 57.159 0.200 . 1 . . . . 186 GLU CA . 19413 1 1998 . 1 1 188 188 GLU CB C 13 29.789 0.200 . 1 . . . . 186 GLU CB . 19413 1 1999 . 1 1 188 188 GLU CG C 13 36.842 0.200 . 1 . . . . 186 GLU CG . 19413 1 2000 . 1 1 188 188 GLU N N 15 117.535 0.200 . 1 . . . . 186 GLU N . 19413 1 2001 . 1 1 189 189 LYS H H 1 7.358 0.020 . 1 . . . . 187 LYS H . 19413 1 2002 . 1 1 189 189 LYS HA H 1 4.126 0.020 . 1 . . . . 187 LYS HA . 19413 1 2003 . 1 1 189 189 LYS HB2 H 1 1.930 0.020 . 2 . . . . 187 LYS QB . 19413 1 2004 . 1 1 189 189 LYS HB3 H 1 1.930 0.020 . 2 . . . . 187 LYS QB . 19413 1 2005 . 1 1 189 189 LYS HG2 H 1 1.573 0.020 . 2 . . . . 187 LYS HG2 . 19413 1 2006 . 1 1 189 189 LYS HG3 H 1 1.496 0.020 . 2 . . . . 187 LYS HG3 . 19413 1 2007 . 1 1 189 189 LYS HD2 H 1 1.361 0.020 . 2 . . . . 187 LYS HD2 . 19413 1 2008 . 1 1 189 189 LYS HD3 H 1 1.423 0.020 . 2 . . . . 187 LYS HD3 . 19413 1 2009 . 1 1 189 189 LYS CA C 13 57.748 0.200 . 1 . . . . 187 LYS CA . 19413 1 2010 . 1 1 189 189 LYS CB C 13 32.718 0.200 . 1 . . . . 187 LYS CB . 19413 1 2011 . 1 1 189 189 LYS CG C 13 24.785 0.200 . 1 . . . . 187 LYS CG . 19413 1 2012 . 1 1 189 189 LYS CD C 13 29.116 0.200 . 1 . . . . 187 LYS CD . 19413 1 2013 . 1 1 189 189 LYS N N 15 121.929 0.200 . 1 . . . . 187 LYS N . 19413 1 2014 . 1 1 190 190 LYS H H 1 7.883 0.020 . 1 . . . . 188 LYS H . 19413 1 2015 . 1 1 190 190 LYS HA H 1 4.038 0.020 . 1 . . . . 188 LYS HA . 19413 1 2016 . 1 1 190 190 LYS HB2 H 1 1.915 0.020 . 2 . . . . 188 LYS QB . 19413 1 2017 . 1 1 190 190 LYS HB3 H 1 1.915 0.020 . 2 . . . . 188 LYS QB . 19413 1 2018 . 1 1 190 190 LYS HG2 H 1 1.457 0.020 . 2 . . . . 188 LYS QG . 19413 1 2019 . 1 1 190 190 LYS HG3 H 1 1.457 0.020 . 2 . . . . 188 LYS QG . 19413 1 2020 . 1 1 190 190 LYS CA C 13 58.005 0.200 . 1 . . . . 188 LYS CA . 19413 1 2021 . 1 1 190 190 LYS CB C 13 32.844 0.200 . 1 . . . . 188 LYS CB . 19413 1 2022 . 1 1 190 190 LYS CG C 13 24.958 0.200 . 1 . . . . 188 LYS CG . 19413 1 2023 . 1 1 190 190 LYS N N 15 125.96 0.200 . 1 . . . . 188 LYS N . 19413 1 stop_ save_