data_19608 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19608 _Entry.Title ; Solution structure of the mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-11 _Entry.Accession_date 2013-11-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the mouse mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195.' _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 Mariusz Jaremko . . . 19608 2 Lukasz Jaremko . . . 19608 3 Karin Giller . . . 19608 4 Stefan Becker . . . 19608 5 Markus Zweckstetter . . . 19608 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' . 19608 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DPC micelles' . 19608 'helical membrane channel protein' . 19608 'membrane protein' . 19608 'mitochondrial membrane' . 19608 mouse . 19608 'peripheral benzodiazepine receptor' . 19608 PK11195 . 19608 'protein-ligand complex' . 19608 'solution structure' . 19608 'translocator protein (TSPO)' . 19608 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19608 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1168 19608 '13C chemical shifts' 738 19608 '15N chemical shifts' 169 19608 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-03-06 2013-11-11 update author 'update chemical shifts' 19608 1 . . 2014-03-31 2013-11-11 original author 'original release' 19608 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mgy 'BMRB Entry Tracking System' 19608 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19608 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24653034 _Citation.Full_citation . _Citation.Title 'Structure of the mitochondrial translocator protein in complex with a diagnostic ligand' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full . _Citation.Journal_volume 343 _Citation.Journal_issue 6177 _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 1363 _Citation.Page_last 1366 _Citation.Year 2014 _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 Mariusz Jaremko . . . 19608 1 2 Lukasz Jaremko . . . 19608 1 3 Karin Giller . . . 19608 1 4 Stefan Becker . . . 19608 1 5 Markus Zweckstetter . . . 19608 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19608 _Assembly.ID 1 _Assembly.Name 'mitochondrial translocator protein (TSPO) in complex with its high-affinity ligand PK11195' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 TSPO 1 $entity_1 A . yes native no no . . . 19608 1 2 PKA 2 $entity_PKA B . no native no no . . . 19608 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19608 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MPESWVPAVGLTLVPSLGGF MGAYFVRGEGLRWYAGLQKP SWHPPRWTLAPIWGTLYSAM GYGSYIVWKELGGFTEDAMV PLGLYTGQLALNWAWPPIFF GARQMGWALADLLLVSGVAT ATTLAWHRVSPPAARLLYPY LAWLAFATVLNYYVWRDNSG RRGGSRLAE ; _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 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18798.848 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25513 . TRANSLOCATOR_PROTEIN_A147T . . . . . 100.00 169 99.41 99.41 6.11e-113 . . . . 19608 1 2 no PDB 2MGY . "Solution Structure Of The Mitochondrial Translocator Protein (tspo) In Complex With Its High-affinity Ligand Pk11195" . . . . . 100.00 169 100.00 100.00 2.00e-113 . . . . 19608 1 3 no PDB 2N02 . "Solution Structure Of The A147t Variant Of The Mitochondrial Translocator Protein (tspo) In Complex With Pk11195" . . . . . 100.00 169 99.41 99.41 6.11e-113 . . . . 19608 1 4 no DBJ BAA04749 . "peripheral-type benzodiazepine receptor [Mus musculus domesticus]" . . . . . 100.00 169 98.82 98.82 3.01e-112 . . . . 19608 1 5 no DBJ BAE29056 . "unnamed protein product [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 6 no DBJ BAE29628 . "unnamed protein product [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 7 no DBJ BAE30386 . "unnamed protein product [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 8 no DBJ BAE30511 . "unnamed protein product [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 9 no GB AAA20127 . "peripheral-type benzodiazepine receptor [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 10 no GB AAH02055 . "Translocator protein [Mus musculus]" . . . . . 100.00 169 100.00 100.00 2.00e-113 . . . . 19608 1 11 no GB AAL87529 . "peripheral-type benzodiazepine receptor [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 12 no GB AAL87530 . "peripheral-type benzodiazepine receptor [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 13 no GB EDL04468 . "translocator protein [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 14 no REF NP_033905 . "translocator protein [Mus musculus]" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 1 15 no SP P50637 . "RecName: Full=Translocator protein; AltName: Full=Mitochondrial benzodiazepine receptor; AltName: Full=PKBS; AltName: Full=Peri" . . . . . 100.00 169 98.82 98.82 8.99e-112 . . . . 19608 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 . MET . 19608 1 2 . PRO . 19608 1 3 . GLU . 19608 1 4 . SER . 19608 1 5 . TRP . 19608 1 6 . VAL . 19608 1 7 . PRO . 19608 1 8 . ALA . 19608 1 9 . VAL . 19608 1 10 . GLY . 19608 1 11 . LEU . 19608 1 12 . THR . 19608 1 13 . LEU . 19608 1 14 . VAL . 19608 1 15 . PRO . 19608 1 16 . SER . 19608 1 17 . LEU . 19608 1 18 . GLY . 19608 1 19 . GLY . 19608 1 20 . PHE . 19608 1 21 . MET . 19608 1 22 . GLY . 19608 1 23 . ALA . 19608 1 24 . TYR . 19608 1 25 . PHE . 19608 1 26 . VAL . 19608 1 27 . ARG . 19608 1 28 . GLY . 19608 1 29 . GLU . 19608 1 30 . GLY . 19608 1 31 . LEU . 19608 1 32 . ARG . 19608 1 33 . TRP . 19608 1 34 . TYR . 19608 1 35 . ALA . 19608 1 36 . GLY . 19608 1 37 . LEU . 19608 1 38 . GLN . 19608 1 39 . LYS . 19608 1 40 . PRO . 19608 1 41 . SER . 19608 1 42 . TRP . 19608 1 43 . HIS . 19608 1 44 . PRO . 19608 1 45 . PRO . 19608 1 46 . ARG . 19608 1 47 . TRP . 19608 1 48 . THR . 19608 1 49 . LEU . 19608 1 50 . ALA . 19608 1 51 . PRO . 19608 1 52 . ILE . 19608 1 53 . TRP . 19608 1 54 . GLY . 19608 1 55 . THR . 19608 1 56 . LEU . 19608 1 57 . TYR . 19608 1 58 . SER . 19608 1 59 . ALA . 19608 1 60 . MET . 19608 1 61 . GLY . 19608 1 62 . TYR . 19608 1 63 . GLY . 19608 1 64 . SER . 19608 1 65 . TYR . 19608 1 66 . ILE . 19608 1 67 . VAL . 19608 1 68 . TRP . 19608 1 69 . LYS . 19608 1 70 . GLU . 19608 1 71 . LEU . 19608 1 72 . GLY . 19608 1 73 . GLY . 19608 1 74 . PHE . 19608 1 75 . THR . 19608 1 76 . GLU . 19608 1 77 . ASP . 19608 1 78 . ALA . 19608 1 79 . MET . 19608 1 80 . VAL . 19608 1 81 . PRO . 19608 1 82 . LEU . 19608 1 83 . GLY . 19608 1 84 . LEU . 19608 1 85 . TYR . 19608 1 86 . THR . 19608 1 87 . GLY . 19608 1 88 . GLN . 19608 1 89 . LEU . 19608 1 90 . ALA . 19608 1 91 . LEU . 19608 1 92 . ASN . 19608 1 93 . TRP . 19608 1 94 . ALA . 19608 1 95 . TRP . 19608 1 96 . PRO . 19608 1 97 . PRO . 19608 1 98 . ILE . 19608 1 99 . PHE . 19608 1 100 . PHE . 19608 1 101 . GLY . 19608 1 102 . ALA . 19608 1 103 . ARG . 19608 1 104 . GLN . 19608 1 105 . MET . 19608 1 106 . GLY . 19608 1 107 . TRP . 19608 1 108 . ALA . 19608 1 109 . LEU . 19608 1 110 . ALA . 19608 1 111 . ASP . 19608 1 112 . LEU . 19608 1 113 . LEU . 19608 1 114 . LEU . 19608 1 115 . VAL . 19608 1 116 . SER . 19608 1 117 . GLY . 19608 1 118 . VAL . 19608 1 119 . ALA . 19608 1 120 . THR . 19608 1 121 . ALA . 19608 1 122 . THR . 19608 1 123 . THR . 19608 1 124 . LEU . 19608 1 125 . ALA . 19608 1 126 . TRP . 19608 1 127 . HIS . 19608 1 128 . ARG . 19608 1 129 . VAL . 19608 1 130 . SER . 19608 1 131 . PRO . 19608 1 132 . PRO . 19608 1 133 . ALA . 19608 1 134 . ALA . 19608 1 135 . ARG . 19608 1 136 . LEU . 19608 1 137 . LEU . 19608 1 138 . TYR . 19608 1 139 . PRO . 19608 1 140 . TYR . 19608 1 141 . LEU . 19608 1 142 . ALA . 19608 1 143 . TRP . 19608 1 144 . LEU . 19608 1 145 . ALA . 19608 1 146 . PHE . 19608 1 147 . ALA . 19608 1 148 . THR . 19608 1 149 . VAL . 19608 1 150 . LEU . 19608 1 151 . ASN . 19608 1 152 . TYR . 19608 1 153 . TYR . 19608 1 154 . VAL . 19608 1 155 . TRP . 19608 1 156 . ARG . 19608 1 157 . ASP . 19608 1 158 . ASN . 19608 1 159 . SER . 19608 1 160 . GLY . 19608 1 161 . ARG . 19608 1 162 . ARG . 19608 1 163 . GLY . 19608 1 164 . GLY . 19608 1 165 . SER . 19608 1 166 . ARG . 19608 1 167 . LEU . 19608 1 168 . ALA . 19608 1 169 . GLU . 19608 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 . MET 1 1 19608 1 . PRO 2 2 19608 1 . GLU 3 3 19608 1 . SER 4 4 19608 1 . TRP 5 5 19608 1 . VAL 6 6 19608 1 . PRO 7 7 19608 1 . ALA 8 8 19608 1 . VAL 9 9 19608 1 . GLY 10 10 19608 1 . LEU 11 11 19608 1 . THR 12 12 19608 1 . LEU 13 13 19608 1 . VAL 14 14 19608 1 . PRO 15 15 19608 1 . SER 16 16 19608 1 . LEU 17 17 19608 1 . GLY 18 18 19608 1 . GLY 19 19 19608 1 . PHE 20 20 19608 1 . MET 21 21 19608 1 . GLY 22 22 19608 1 . ALA 23 23 19608 1 . TYR 24 24 19608 1 . PHE 25 25 19608 1 . VAL 26 26 19608 1 . ARG 27 27 19608 1 . GLY 28 28 19608 1 . GLU 29 29 19608 1 . GLY 30 30 19608 1 . LEU 31 31 19608 1 . ARG 32 32 19608 1 . TRP 33 33 19608 1 . TYR 34 34 19608 1 . ALA 35 35 19608 1 . GLY 36 36 19608 1 . LEU 37 37 19608 1 . GLN 38 38 19608 1 . LYS 39 39 19608 1 . PRO 40 40 19608 1 . SER 41 41 19608 1 . TRP 42 42 19608 1 . HIS 43 43 19608 1 . PRO 44 44 19608 1 . PRO 45 45 19608 1 . ARG 46 46 19608 1 . TRP 47 47 19608 1 . THR 48 48 19608 1 . LEU 49 49 19608 1 . ALA 50 50 19608 1 . PRO 51 51 19608 1 . ILE 52 52 19608 1 . TRP 53 53 19608 1 . GLY 54 54 19608 1 . THR 55 55 19608 1 . LEU 56 56 19608 1 . TYR 57 57 19608 1 . SER 58 58 19608 1 . ALA 59 59 19608 1 . MET 60 60 19608 1 . GLY 61 61 19608 1 . TYR 62 62 19608 1 . GLY 63 63 19608 1 . SER 64 64 19608 1 . TYR 65 65 19608 1 . ILE 66 66 19608 1 . VAL 67 67 19608 1 . TRP 68 68 19608 1 . LYS 69 69 19608 1 . GLU 70 70 19608 1 . LEU 71 71 19608 1 . GLY 72 72 19608 1 . GLY 73 73 19608 1 . PHE 74 74 19608 1 . THR 75 75 19608 1 . GLU 76 76 19608 1 . ASP 77 77 19608 1 . ALA 78 78 19608 1 . MET 79 79 19608 1 . VAL 80 80 19608 1 . PRO 81 81 19608 1 . LEU 82 82 19608 1 . GLY 83 83 19608 1 . LEU 84 84 19608 1 . TYR 85 85 19608 1 . THR 86 86 19608 1 . GLY 87 87 19608 1 . GLN 88 88 19608 1 . LEU 89 89 19608 1 . ALA 90 90 19608 1 . LEU 91 91 19608 1 . ASN 92 92 19608 1 . TRP 93 93 19608 1 . ALA 94 94 19608 1 . TRP 95 95 19608 1 . PRO 96 96 19608 1 . PRO 97 97 19608 1 . ILE 98 98 19608 1 . PHE 99 99 19608 1 . PHE 100 100 19608 1 . GLY 101 101 19608 1 . ALA 102 102 19608 1 . ARG 103 103 19608 1 . GLN 104 104 19608 1 . MET 105 105 19608 1 . GLY 106 106 19608 1 . TRP 107 107 19608 1 . ALA 108 108 19608 1 . LEU 109 109 19608 1 . ALA 110 110 19608 1 . ASP 111 111 19608 1 . LEU 112 112 19608 1 . LEU 113 113 19608 1 . LEU 114 114 19608 1 . VAL 115 115 19608 1 . SER 116 116 19608 1 . GLY 117 117 19608 1 . VAL 118 118 19608 1 . ALA 119 119 19608 1 . THR 120 120 19608 1 . ALA 121 121 19608 1 . THR 122 122 19608 1 . THR 123 123 19608 1 . LEU 124 124 19608 1 . ALA 125 125 19608 1 . TRP 126 126 19608 1 . HIS 127 127 19608 1 . ARG 128 128 19608 1 . VAL 129 129 19608 1 . SER 130 130 19608 1 . PRO 131 131 19608 1 . PRO 132 132 19608 1 . ALA 133 133 19608 1 . ALA 134 134 19608 1 . ARG 135 135 19608 1 . LEU 136 136 19608 1 . LEU 137 137 19608 1 . TYR 138 138 19608 1 . PRO 139 139 19608 1 . TYR 140 140 19608 1 . LEU 141 141 19608 1 . ALA 142 142 19608 1 . TRP 143 143 19608 1 . LEU 144 144 19608 1 . ALA 145 145 19608 1 . PHE 146 146 19608 1 . ALA 147 147 19608 1 . THR 148 148 19608 1 . VAL 149 149 19608 1 . LEU 150 150 19608 1 . ASN 151 151 19608 1 . TYR 152 152 19608 1 . TYR 153 153 19608 1 . VAL 154 154 19608 1 . TRP 155 155 19608 1 . ARG 156 156 19608 1 . ASP 157 157 19608 1 . ASN 158 158 19608 1 . SER 159 159 19608 1 . GLY 160 160 19608 1 . ARG 161 161 19608 1 . ARG 162 162 19608 1 . GLY 163 163 19608 1 . GLY 164 164 19608 1 . SER 165 165 19608 1 . ARG 166 166 19608 1 . LEU 167 167 19608 1 . ALA 168 168 19608 1 . GLU 169 169 19608 1 stop_ save_ save_entity_PKA _Entity.Sf_category entity _Entity.Sf_framecode entity_PKA _Entity.Entry_ID 19608 _Entity.ID 2 _Entity.BMRB_code PKA _Entity.Name N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PKA _Entity.Nonpolymer_comp_label $chem_comp_PKA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 352.857 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide BMRB 19608 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide BMRB 19608 2 PKA 'Three letter code' 19608 2 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 PKA $chem_comp_PKA 19608 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 PKA C1 19608 2 2 1 PKA C10 19608 2 3 1 PKA C11 19608 2 4 1 PKA C12 19608 2 5 1 PKA C13 19608 2 6 1 PKA C14 19608 2 7 1 PKA C15 19608 2 8 1 PKA C16 19608 2 9 1 PKA C17 19608 2 10 1 PKA C19 19608 2 11 1 PKA C2 19608 2 12 1 PKA C20 19608 2 13 1 PKA C21 19608 2 14 1 PKA C22 19608 2 15 1 PKA C23 19608 2 16 1 PKA C24 19608 2 17 1 PKA C3 19608 2 18 1 PKA C4 19608 2 19 1 PKA C6 19608 2 20 1 PKA C7 19608 2 21 1 PKA C9 19608 2 22 1 PKA CL 19608 2 23 1 PKA H10 19608 2 24 1 PKA H12 19608 2 25 1 PKA H13 19608 2 26 1 PKA H14 19608 2 27 1 PKA H15 19608 2 28 1 PKA H1A 19608 2 29 1 PKA H1B 19608 2 30 1 PKA H1C 19608 2 31 1 PKA H20 19608 2 32 1 PKA H21 19608 2 33 1 PKA H22 19608 2 34 1 PKA H23 19608 2 35 1 PKA H2A 19608 2 36 1 PKA H2B 19608 2 37 1 PKA H3 19608 2 38 1 PKA H4A 19608 2 39 1 PKA H4B 19608 2 40 1 PKA H4C 19608 2 41 1 PKA H6A 19608 2 42 1 PKA H6B 19608 2 43 1 PKA H6C 19608 2 44 1 PKA N18 19608 2 45 1 PKA N5 19608 2 46 1 PKA O8 19608 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19608 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 19608 1 2 2 $entity_PKA . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19608 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 19608 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15PBR . . . . . . 19608 1 2 2 $entity_PKA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19608 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PKA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PKA _Chem_comp.Entry_ID 19608 _Chem_comp.ID PKA _Chem_comp.Provenance PDB _Chem_comp.Name N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PKA _Chem_comp.PDB_code PKA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2013-11-20 _Chem_comp.Modified_date 2013-11-20 _Chem_comp.Release_status HOLD _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PKA _Chem_comp.Number_atoms_all 46 _Chem_comp.Number_atoms_nh 25 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C21 H21 Cl N2 O' _Chem_comp.Formula_weight 352.857 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2MGY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES 'OpenEye OEToolkits' 1.7.6 19608 PKA CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES_CANONICAL CACTVS 3.385 19608 PKA CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 19608 PKA CC[CH](C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl SMILES CACTVS 3.385 19608 PKA Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)C SMILES ACDLabs 12.01 19608 PKA InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m1/s1 InChI InChI 1.03 19608 PKA RAVIZVQZGXBOQO-CQSZACIVSA-N InChIKey InChI 1.03 19608 PKA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methyl-isoquinoline-3-carboxamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 19608 PKA N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide 'SYSTEMATIC NAME' ACDLabs 12.01 19608 PKA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 6.684 . 8.560 . 6.717 . -4.408 -0.560 -1.878 1 . 19608 PKA C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 6.159 . 7.724 . 7.891 . -4.819 -0.984 -0.467 2 . 19608 PKA C3 C3 C3 C3 . C . . R 0 . . . 1 no no . . . . 5.904 . 6.272 . 7.442 . -4.366 0.078 0.537 3 . 19608 PKA C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 7.109 . 5.397 . 7.794 . -4.884 -0.284 1.931 4 . 19608 PKA N5 N5 N5 N5 . N . . N 0 . . . 1 no no . . . . 4.711 . 5.750 . 8.112 . -2.902 0.135 0.560 5 . 19608 PKA C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 4.477 . 6.087 . 9.510 . -2.128 -1.053 0.928 6 . 19608 PKA C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 3.934 . 4.816 . 7.539 . -2.268 1.281 0.243 7 . 19608 PKA O8 O8 O8 O8 . O . . N 0 . . . 1 no no . . . . 2.956 . 4.364 . 8.136 . -2.908 2.290 0.025 8 . 19608 PKA C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 4.276 . 4.285 . 6.195 . -0.791 1.310 0.158 9 . 19608 PKA N18 N18 N18 N18 . N . . N 0 . . . 1 yes no . . . . 4.427 . 5.160 . 5.114 . -0.117 0.165 0.275 10 . 19608 PKA C17 C17 C17 C17 . C . . N 0 . . . 1 yes no . . . . 4.752 . 4.665 . 3.850 . 1.200 0.109 0.210 11 . 19608 PKA C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 4.446 . 2.908 . 6.011 . -0.157 2.522 -0.044 12 . 19608 PKA C11 C11 C11 C11 . C . . N 0 . . . 1 yes no . . . . 4.765 . 2.406 . 4.744 . 1.246 2.559 -0.125 13 . 19608 PKA C12 C12 C12 C12 . C . . N 0 . . . 1 yes no . . . . 4.928 . 1.028 . 4.561 . 1.952 3.753 -0.329 14 . 19608 PKA C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . 4.919 . 3.281 . 3.662 . 1.959 1.339 0.005 15 . 19608 PKA C13 C13 C13 C13 . C . . N 0 . . . 1 yes no . . . . 5.250 . 0.523 . 3.295 . 3.313 3.723 -0.400 16 . 19608 PKA C14 C14 C14 C14 . C . . N 0 . . . 1 yes no . . . . 5.404 . 1.397 . 2.211 . 4.012 2.525 -0.272 17 . 19608 PKA C15 C15 C15 C15 . C . . N 0 . . . 1 yes no . . . . 5.238 . 2.774 . 2.393 . 3.355 1.346 -0.072 18 . 19608 PKA C19 C19 C19 C19 . C . . N 0 . . . 1 yes no . . . . 4.917 . 5.602 . 2.715 . 1.900 -1.189 0.346 19 . 19608 PKA C24 C24 C24 C24 . C . . N 0 . . . 1 yes no . . . . 6.152 . 5.709 . 2.061 . 1.522 -2.276 -0.444 20 . 19608 PKA C23 C23 C23 C23 . C . . N 0 . . . 1 yes no . . . . 6.298 . 6.593 . 0.985 . 2.180 -3.483 -0.313 21 . 19608 PKA C20 C20 C20 C20 . C . . N 0 . . . 1 yes no . . . . 3.839 . 6.384 . 2.302 . 2.944 -1.329 1.260 22 . 19608 PKA C21 C21 C21 C21 . C . . N 0 . . . 1 yes no . . . . 3.986 . 7.270 . 1.227 . 3.593 -2.540 1.382 23 . 19608 PKA C22 C22 C22 C22 . C . . N 0 . . . 1 yes no . . . . 5.215 . 7.378 . 0.571 . 3.211 -3.616 0.600 24 . 19608 PKA CL CL CL CL . CL . . N 0 . . . 0 no no . . . . 7.494 . 4.726 . 2.569 . 0.228 -2.110 -1.589 25 . 19608 PKA H1C H1C H1C H1C . H . . N 0 . . . 1 no no . . . . 6.861 . 9.593 . 7.052 . -3.325 -0.455 -1.925 26 . 19608 PKA H1A H1A H1A H1A . H . . N 0 . . . 1 no no . . . . 7.626 . 8.127 . 6.351 . -4.731 -1.317 -2.593 27 . 19608 PKA H1B H1B H1B H1B . H . . N 0 . . . 1 no no . . . . 5.941 . 8.560 . 5.906 . -4.877 0.394 -2.122 28 . 19608 PKA H2A H2A H2A H2A . H . . N 0 . . . 1 no no . . . . 6.903 . 7.728 . 8.701 . -5.903 -1.089 -0.420 29 . 19608 PKA H2B H2B H2B H2B . H . . N 0 . . . 1 no no . . . . 5.218 . 8.162 . 8.256 . -4.351 -1.938 -0.223 30 . 19608 PKA H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 5.757 . 6.258 . 6.352 . -4.763 1.049 0.243 31 . 19608 PKA H4C H4C H4C H4C . H . . N 0 . . . 1 no no . . . . 6.919 . 4.363 . 7.470 . -4.487 -1.255 2.226 32 . 19608 PKA H4A H4A H4A H4A . H . . N 0 . . . 1 no no . . . . 8.004 . 5.782 . 7.283 . -4.561 0.473 2.646 33 . 19608 PKA H4B H4B H4B H4B . H . . N 0 . . . 1 no no . . . . 7.271 . 5.417 . 8.882 . -5.973 -0.326 1.914 34 . 19608 PKA H6A H6A H6A H6A . H . . N 0 . . . 1 no no . . . . 3.544 . 5.615 . 9.850 . -1.823 -1.582 0.026 35 . 19608 PKA H6B H6B H6B H6B . H . . N 0 . . . 1 no no . . . . 5.316 . 5.722 . 10.120 . -1.244 -0.751 1.489 36 . 19608 PKA H6C H6C H6C H6C . H . . N 0 . . . 1 no no . . . . 4.395 . 7.179 . 9.615 . -2.742 -1.710 1.545 37 . 19608 PKA H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . 4.331 . 2.233 . 6.846 . -0.733 3.431 -0.139 38 . 19608 PKA H12 H12 H12 H12 . H . . N 0 . . . 1 no no . . . . 4.805 . 0.354 . 5.396 . 1.422 4.689 -0.431 39 . 19608 PKA H13 H13 H13 H13 . H . . N 0 . . . 1 no no . . . . 5.380 . -0.540 . 3.154 . 3.858 4.642 -0.557 40 . 19608 PKA H14 H14 H14 H14 . H . . N 0 . . . 1 no no . . . . 5.651 . 1.007 . 1.234 . 5.090 2.530 -0.332 41 . 19608 PKA H15 H15 H15 H15 . H . . N 0 . . . 1 no no . . . . 5.355 . 3.447 . 1.557 . 3.910 0.424 0.025 42 . 19608 PKA H23 H23 H23 H23 . H . . N 0 . . . 1 no no . . . . 7.246 . 6.669 . 0.474 . 1.889 -4.325 -0.923 43 . 19608 PKA H20 H20 H20 H20 . H . . N 0 . . . 1 no no . . . . 2.890 . 6.307 . 2.811 . 3.244 -0.491 1.872 44 . 19608 PKA H21 H21 H21 H21 . H . . N 0 . . . 1 no no . . . . 3.148 . 7.871 . 0.905 . 4.402 -2.649 2.090 45 . 19608 PKA H22 H22 H22 H22 . H . . N 0 . . . 1 no no . . . . 5.329 . 8.066 . -0.254 . 3.722 -4.562 0.699 46 . 19608 PKA stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C22 C23 yes N 1 . 19608 PKA 2 . SING C22 C21 yes N 2 . 19608 PKA 3 . SING C23 C24 yes N 3 . 19608 PKA 4 . DOUB C21 C20 yes N 4 . 19608 PKA 5 . SING C24 CL no N 5 . 19608 PKA 6 . DOUB C24 C19 yes N 6 . 19608 PKA 7 . DOUB C14 C15 yes N 7 . 19608 PKA 8 . SING C14 C13 yes N 8 . 19608 PKA 9 . SING C20 C19 yes N 9 . 19608 PKA 10 . SING C15 C16 yes N 10 . 19608 PKA 11 . SING C19 C17 no N 11 . 19608 PKA 12 . DOUB C13 C12 yes N 12 . 19608 PKA 13 . DOUB C16 C17 yes N 13 . 19608 PKA 14 . SING C16 C11 yes N 14 . 19608 PKA 15 . SING C17 N18 yes N 15 . 19608 PKA 16 . SING C12 C11 yes N 16 . 19608 PKA 17 . DOUB C11 C10 yes N 17 . 19608 PKA 18 . DOUB N18 C9 yes N 18 . 19608 PKA 19 . SING C10 C9 yes N 19 . 19608 PKA 20 . SING C9 C7 no N 20 . 19608 PKA 21 . SING C1 C2 no N 21 . 19608 PKA 22 . SING C3 C4 no N 22 . 19608 PKA 23 . SING C3 C2 no N 23 . 19608 PKA 24 . SING C3 N5 no N 24 . 19608 PKA 25 . SING C7 N5 no N 25 . 19608 PKA 26 . DOUB C7 O8 no N 26 . 19608 PKA 27 . SING N5 C6 no N 27 . 19608 PKA 28 . SING C1 H1C no N 28 . 19608 PKA 29 . SING C1 H1A no N 29 . 19608 PKA 30 . SING C1 H1B no N 30 . 19608 PKA 31 . SING C2 H2A no N 31 . 19608 PKA 32 . SING C2 H2B no N 32 . 19608 PKA 33 . SING C3 H3 no N 33 . 19608 PKA 34 . SING C4 H4C no N 34 . 19608 PKA 35 . SING C4 H4A no N 35 . 19608 PKA 36 . SING C4 H4B no N 36 . 19608 PKA 37 . SING C6 H6A no N 37 . 19608 PKA 38 . SING C6 H6B no N 38 . 19608 PKA 39 . SING C6 H6C no N 39 . 19608 PKA 40 . SING C10 H10 no N 40 . 19608 PKA 41 . SING C12 H12 no N 41 . 19608 PKA 42 . SING C13 H13 no N 42 . 19608 PKA 43 . SING C14 H14 no N 43 . 19608 PKA 44 . SING C15 H15 no N 44 . 19608 PKA 45 . SING C23 H23 no N 45 . 19608 PKA 46 . SING C20 H20 no N 46 . 19608 PKA 47 . SING C21 H21 no N 47 . 19608 PKA 48 . SING C22 H22 no N 48 . 19608 PKA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19608 _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 19608 1 2 PKA 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 19608 1 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19608 1 4 'DPC micelles' '[U-100% 2H]' . . . . . . 60 . . mM . . . . 19608 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19608 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19608 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19608 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 19608 2 2 PKA 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 19608 2 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19608 2 4 'DPC micelles' [U-2H] . . . . . . 60 . . mM . . . . 19608 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19608 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19608 _Sample.ID 3 _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 entity_1 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.8 . . mM . . . . 19608 3 2 PKA 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 19608 3 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19608 3 4 'DPC micelles' '[U-100% 2H]' . . . . . . 60 . . mM . . . . 19608 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19608 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19608 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19608 _Sample.ID 4 _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 entity_1 '[U-2H; U-1H, 15N,13C-TRP, ARG]' . . 1 $entity_1 . . 0.5 . . mM . . . . 19608 4 2 PKA 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 19608 4 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19608 4 4 'DPC micelles' '[U-100% 2H]' . . . . . . 60 . . mM . . . . 19608 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19608 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19608 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19608 _Sample.ID 5 _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 entity_1 '[U-2H,15N; Idelta1/Leu,ValproS-13CH3]' . . 1 $entity_1 . . 0.5 . . mM . . . . 19608 5 2 PKA 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 19608 5 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19608 5 4 'DPC micelles' '[U-100% 2H]' . . . . . . 60 . . mM . . . . 19608 5 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19608 5 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19608 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19608 _Sample.ID 6 _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 entity_1 '[U-2H; U-1H, 15N,13C-Ile,Lys,Pro,Gly]' . . 1 $entity_1 . . 0.5 . . mM . . . . 19608 6 2 PKA 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 19608 6 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19608 6 4 'DPC micelles' '[U-100% 2H]' . . . . . . 60 . . mM . . . . 19608 6 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19608 6 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19608 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19608 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity_1 '[U-2H; U-1H,15N-Leu,Phe]' . . 1 $entity_1 . . 0.5 . . mM . . . . 19608 7 2 PKA 'natural abundance' . . 2 $entity_PKA . . 2.9 . . mM . . . . 19608 7 3 'sodium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 19608 7 4 'DPC micelles' '[U-100% 2H]' . . . . . . 60 . . mM . . . . 19608 7 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19608 7 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19608 7 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 19608 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 19608 1 pH 6.0 . pH 19608 1 pressure 1 . atm 19608 1 temperature 315 . K 19608 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19608 _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' . . 19608 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19608 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19608 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19608 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19608 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19608 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19608 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19608 3 'structure solution' 19608 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19608 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19608 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19608 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19608 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19608 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19608 5 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 19608 _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 19608 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19608 _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 . . . 19608 1 2 spectrometer_2 Bruker Avance . 900 . . . 19608 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 19608 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 14 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 15 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 16 '3D HNCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 17 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 18 '3D HN(CO)CA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 19 '3D CBCA(CO)NH' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 20 '3D HNCO' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 21 '3D HNCA' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 22 '3D HNCACB' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 23 '3D HN(CO)CA' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 24 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 25 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 26 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 27 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 28 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 29 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 30 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 31 '3D CBCA(CO)NH' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 32 '3D HNCO' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 33 '3D HNCA' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 34 '3D HNCACB' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 35 '3D HN(CO)CA' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 36 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 37 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 38 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 39 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 40 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 41 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 42 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 1 43 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 44 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 45 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 46 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 47 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 48 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 49 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 50 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19608 1 51 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19608 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 19608 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19608 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19608 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19608 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 19608 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19608 1 2 '2D 1H-13C HSQC aliphatic' . . . 19608 1 3 '2D 1H-13C HSQC aromatic' . . . 19608 1 4 '3D CBCA(CO)NH' . . . 19608 1 5 '3D HNCO' . . . 19608 1 6 '3D HNCA' . . . 19608 1 7 '3D HNCACB' . . . 19608 1 8 '3D HN(CO)CA' . . . 19608 1 9 '3D HCCH-TOCSY' . . . 19608 1 10 '3D 1H-15N NOESY' . . . 19608 1 11 '3D 1H-13C NOESY aliphatic' . . . 19608 1 12 '3D 1H-13C NOESY aromatic' . . . 19608 1 13 '3D 1H-13C NOESY' . . . 19608 1 14 '3D CBCA(CO)NH' . . . 19608 1 15 '3D HNCO' . . . 19608 1 16 '3D HNCA' . . . 19608 1 17 '3D HNCACB' . . . 19608 1 18 '3D HN(CO)CA' . . . 19608 1 19 '3D CBCA(CO)NH' . . . 19608 1 20 '3D HNCO' . . . 19608 1 21 '3D HNCA' . . . 19608 1 26 '3D CBCA(CO)NH' . . . 19608 1 27 '3D HNCO' . . . 19608 1 28 '3D HNCA' . . . 19608 1 29 '3D HNCACB' . . . 19608 1 30 '3D HN(CO)CA' . . . 19608 1 40 '3D 1H-13C NOESY aliphatic' . . . 19608 1 41 '3D 1H-13C NOESY aromatic' . . . 19608 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.36 0.02 . 1 . . . . 1 MET HA . 19608 1 2 . 1 1 1 1 MET HB2 H 1 2.272 0.02 . 2 . . . . 1 MET HB2 . 19608 1 3 . 1 1 1 1 MET HB3 H 1 2.023 0.02 . 2 . . . . 1 MET HB3 . 19608 1 4 . 1 1 1 1 MET HG2 H 1 2.158 0.02 . 2 . . . . 1 MET HG2 . 19608 1 5 . 1 1 1 1 MET HG3 H 1 1.994 0.02 . 2 . . . . 1 MET HG3 . 19608 1 6 . 1 1 1 1 MET HE1 H 1 2.032 0.02 . 1 . . . . 1 MET HE . 19608 1 7 . 1 1 1 1 MET HE2 H 1 2.032 0.02 . 1 . . . . 1 MET HE . 19608 1 8 . 1 1 1 1 MET HE3 H 1 2.032 0.02 . 1 . . . . 1 MET HE . 19608 1 9 . 1 1 1 1 MET CA C 13 57.408 0.3 . 1 . . . . 1 MET CA . 19608 1 10 . 1 1 1 1 MET CB C 13 32.152 0.3 . 1 . . . . 1 MET CB . 19608 1 11 . 1 1 1 1 MET CG C 13 31.79 0.3 . 1 . . . . 1 MET CG . 19608 1 12 . 1 1 1 1 MET CE C 13 17.766 0.3 . 1 . . . . 1 MET CE . 19608 1 13 . 1 1 2 2 PRO HA H 1 3.93 0.02 . 1 . . . . 2 PRO HA . 19608 1 14 . 1 1 2 2 PRO HB2 H 1 2.143 0.02 . 2 . . . . 2 PRO HB2 . 19608 1 15 . 1 1 2 2 PRO HB3 H 1 2.477 0.02 . 2 . . . . 2 PRO HB3 . 19608 1 16 . 1 1 2 2 PRO HG2 H 1 0.897 0.02 . 2 . . . . 2 PRO HG2 . 19608 1 17 . 1 1 2 2 PRO HG3 H 1 1.119 0.02 . 2 . . . . 2 PRO HG3 . 19608 1 18 . 1 1 2 2 PRO HD2 H 1 3.413 0.02 . 2 . . . . 2 PRO HD2 . 19608 1 19 . 1 1 2 2 PRO HD3 H 1 3.427 0.02 . 2 . . . . 2 PRO HD3 . 19608 1 20 . 1 1 2 2 PRO C C 13 176.998 0.3 . 1 . . . . 2 PRO C . 19608 1 21 . 1 1 2 2 PRO CA C 13 55.251 0.3 . 1 . . . . 2 PRO CA . 19608 1 22 . 1 1 2 2 PRO CB C 13 39.691 0.3 . 1 . . . . 2 PRO CB . 19608 1 23 . 1 1 2 2 PRO CG C 13 28.548 0.3 . 1 . . . . 2 PRO CG . 19608 1 24 . 1 1 2 2 PRO CD C 13 43.967 0.3 . 1 . . . . 2 PRO CD . 19608 1 25 . 1 1 2 2 PRO N N 15 112.587 0.3 . 1 . . . . 2 PRO N . 19608 1 26 . 1 1 3 3 GLU HA H 1 4.236 0.02 . 1 . . . . 3 GLU HA . 19608 1 27 . 1 1 3 3 GLU HB2 H 1 2.071 0.02 . 2 . . . . 3 GLU HB2 . 19608 1 28 . 1 1 3 3 GLU HB3 H 1 2.259 0.02 . 2 . . . . 3 GLU HB3 . 19608 1 29 . 1 1 3 3 GLU HG2 H 1 2.406 0.02 . 2 . . . . 3 GLU HG2 . 19608 1 30 . 1 1 3 3 GLU HG3 H 1 2.379 0.02 . 2 . . . . 3 GLU HG3 . 19608 1 31 . 1 1 3 3 GLU CA C 13 56.815 0.3 . 1 . . . . 3 GLU CA . 19608 1 32 . 1 1 3 3 GLU CB C 13 28.938 0.3 . 1 . . . . 3 GLU CB . 19608 1 33 . 1 1 3 3 GLU CG C 13 34.413 0.3 . 1 . . . . 3 GLU CG . 19608 1 34 . 1 1 4 4 SER HA H 1 4.499 0.02 . 1 . . . . 4 SER HA . 19608 1 35 . 1 1 4 4 SER HB2 H 1 3.739 0.02 . 2 . . . . 4 SER HB2 . 19608 1 36 . 1 1 4 4 SER HB3 H 1 4.884 0.02 . 2 . . . . 4 SER HB3 . 19608 1 37 . 1 1 4 4 SER C C 13 182.496 0.3 . 1 . . . . 4 SER C . 19608 1 38 . 1 1 4 4 SER CA C 13 63.631 0.3 . 1 . . . . 4 SER CA . 19608 1 39 . 1 1 4 4 SER CB C 13 62.311 0.3 . 1 . . . . 4 SER CB . 19608 1 40 . 1 1 5 5 TRP H H 1 8.93 0.02 . 1 . . . . 5 TRP H . 19608 1 41 . 1 1 5 5 TRP HA H 1 4.506 0.02 . 1 . . . . 5 TRP HA . 19608 1 42 . 1 1 5 5 TRP HB2 H 1 3.372 0.02 . 2 . . . . 5 TRP HB2 . 19608 1 43 . 1 1 5 5 TRP HB3 H 1 3.389 0.02 . 2 . . . . 5 TRP HB3 . 19608 1 44 . 1 1 5 5 TRP HD1 H 1 7.505 0.02 . 1 . . . . 5 TRP HD1 . 19608 1 45 . 1 1 5 5 TRP HE1 H 1 10.752 0.02 . 1 . . . . 5 TRP HE1 . 19608 1 46 . 1 1 5 5 TRP HZ2 H 1 7.644 0.02 . 1 . . . . 5 TRP HZ2 . 19608 1 47 . 1 1 5 5 TRP C C 13 178.624 0.3 . 1 . . . . 5 TRP C . 19608 1 48 . 1 1 5 5 TRP CA C 13 58.985 0.3 . 1 . . . . 5 TRP CA . 19608 1 49 . 1 1 5 5 TRP CB C 13 30.097 0.3 . 1 . . . . 5 TRP CB . 19608 1 50 . 1 1 5 5 TRP CD1 C 13 126.643 0.3 . 1 . . . . 5 TRP CD1 . 19608 1 51 . 1 1 5 5 TRP CZ2 C 13 114.256 0.3 . 1 . . . . 5 TRP CZ2 . 19608 1 52 . 1 1 5 5 TRP N N 15 122.295 0.3 . 1 . . . . 5 TRP N . 19608 1 53 . 1 1 5 5 TRP NE1 N 15 109.226 0.3 . 1 . . . . 5 TRP NE1 . 19608 1 54 . 1 1 6 6 VAL H H 1 8.45 0.02 . 1 . . . . 6 VAL H . 19608 1 55 . 1 1 6 6 VAL HA H 1 3.672 0.02 . 1 . . . . 6 VAL HA . 19608 1 56 . 1 1 6 6 VAL HB H 1 2.201 0.02 . 1 . . . . 6 VAL HB . 19608 1 57 . 1 1 6 6 VAL HG11 H 1 0.881 0.02 . 1 . . . . 6 VAL HG1 . 19608 1 58 . 1 1 6 6 VAL HG12 H 1 0.881 0.02 . 1 . . . . 6 VAL HG1 . 19608 1 59 . 1 1 6 6 VAL HG13 H 1 0.881 0.02 . 1 . . . . 6 VAL HG1 . 19608 1 60 . 1 1 6 6 VAL HG21 H 1 0.91 0.02 . 1 . . . . 6 VAL HG2 . 19608 1 61 . 1 1 6 6 VAL HG22 H 1 0.91 0.02 . 1 . . . . 6 VAL HG2 . 19608 1 62 . 1 1 6 6 VAL HG23 H 1 0.91 0.02 . 1 . . . . 6 VAL HG2 . 19608 1 63 . 1 1 6 6 VAL CA C 13 69.395 0.3 . 1 . . . . 6 VAL CA . 19608 1 64 . 1 1 6 6 VAL CB C 13 29.4 0.3 . 1 . . . . 6 VAL CB . 19608 1 65 . 1 1 6 6 VAL CG1 C 13 21.835 0.3 . 1 . . . . 6 VAL CG1 . 19608 1 66 . 1 1 6 6 VAL CG2 C 13 23.966 0.3 . 1 . . . . 6 VAL CG2 . 19608 1 67 . 1 1 6 6 VAL N N 15 113.813 0.3 . 1 . . . . 6 VAL N . 19608 1 68 . 1 1 7 7 PRO HA H 1 3.918 0.02 . 1 . . . . 7 PRO HA . 19608 1 69 . 1 1 7 7 PRO HB2 H 1 2.066 0.02 . 2 . . . . 7 PRO HB2 . 19608 1 70 . 1 1 7 7 PRO HB3 H 1 1.869 0.02 . 2 . . . . 7 PRO HB3 . 19608 1 71 . 1 1 7 7 PRO HG2 H 1 2.452 0.02 . 2 . . . . 7 PRO HG2 . 19608 1 72 . 1 1 7 7 PRO HG3 H 1 2.055 0.02 . 2 . . . . 7 PRO HG3 . 19608 1 73 . 1 1 7 7 PRO HD2 H 1 4.094 0.02 . 2 . . . . 7 PRO HD2 . 19608 1 74 . 1 1 7 7 PRO HD3 H 1 3.732 0.02 . 2 . . . . 7 PRO HD3 . 19608 1 75 . 1 1 7 7 PRO C C 13 177.768 0.3 . 1 . . . . 7 PRO C . 19608 1 76 . 1 1 7 7 PRO CA C 13 66.499 0.3 . 1 . . . . 7 PRO CA . 19608 1 77 . 1 1 7 7 PRO CB C 13 31.089 0.3 . 1 . . . . 7 PRO CB . 19608 1 78 . 1 1 7 7 PRO CG C 13 28.618 0.3 . 1 . . . . 7 PRO CG . 19608 1 79 . 1 1 7 7 PRO CD C 13 50.593 0.3 . 1 . . . . 7 PRO CD . 19608 1 80 . 1 1 8 8 ALA H H 1 6.93 0.02 . 1 . . . . 8 ALA H . 19608 1 81 . 1 1 8 8 ALA HA H 1 3.087 0.02 . 1 . . . . 8 ALA HA . 19608 1 82 . 1 1 8 8 ALA HB1 H 1 0.842 0.02 . 1 . . . . 8 ALA HB . 19608 1 83 . 1 1 8 8 ALA HB2 H 1 0.842 0.02 . 1 . . . . 8 ALA HB . 19608 1 84 . 1 1 8 8 ALA HB3 H 1 0.842 0.02 . 1 . . . . 8 ALA HB . 19608 1 85 . 1 1 8 8 ALA C C 13 180.438 0.3 . 1 . . . . 8 ALA C . 19608 1 86 . 1 1 8 8 ALA CA C 13 55.609 0.3 . 1 . . . . 8 ALA CA . 19608 1 87 . 1 1 8 8 ALA CB C 13 18.389 0.3 . 1 . . . . 8 ALA CB . 19608 1 88 . 1 1 8 8 ALA N N 15 117.409 0.3 . 1 . . . . 8 ALA N . 19608 1 89 . 1 1 9 9 VAL H H 1 8.37 0.02 . 1 . . . . 9 VAL H . 19608 1 90 . 1 1 9 9 VAL HA H 1 3.617 0.02 . 1 . . . . 9 VAL HA . 19608 1 91 . 1 1 9 9 VAL HB H 1 2.215 0.02 . 1 . . . . 9 VAL HB . 19608 1 92 . 1 1 9 9 VAL HG11 H 1 1.013 0.02 . 1 . . . . 9 VAL HG1 . 19608 1 93 . 1 1 9 9 VAL HG12 H 1 1.013 0.02 . 1 . . . . 9 VAL HG1 . 19608 1 94 . 1 1 9 9 VAL HG13 H 1 1.013 0.02 . 1 . . . . 9 VAL HG1 . 19608 1 95 . 1 1 9 9 VAL HG21 H 1 1.283 0.02 . 1 . . . . 9 VAL HG2 . 19608 1 96 . 1 1 9 9 VAL HG22 H 1 1.283 0.02 . 1 . . . . 9 VAL HG2 . 19608 1 97 . 1 1 9 9 VAL HG23 H 1 1.283 0.02 . 1 . . . . 9 VAL HG2 . 19608 1 98 . 1 1 9 9 VAL C C 13 178.314 0.3 . 1 . . . . 9 VAL C . 19608 1 99 . 1 1 9 9 VAL CA C 13 66.806 0.3 . 1 . . . . 9 VAL CA . 19608 1 100 . 1 1 9 9 VAL CB C 13 32.412 0.3 . 1 . . . . 9 VAL CB . 19608 1 101 . 1 1 9 9 VAL CG1 C 13 22.165 0.3 . 1 . . . . 9 VAL CG1 . 19608 1 102 . 1 1 9 9 VAL CG2 C 13 23.959 0.3 . 1 . . . . 9 VAL CG2 . 19608 1 103 . 1 1 9 9 VAL N N 15 117.793 0.3 . 1 . . . . 9 VAL N . 19608 1 104 . 1 1 10 10 GLY H H 1 8.974 0.02 . 1 . . . . 10 GLY H . 19608 1 105 . 1 1 10 10 GLY HA2 H 1 3.58 0.02 . 2 . . . . 10 GLY HA2 . 19608 1 106 . 1 1 10 10 GLY HA3 H 1 3.643 0.02 . 2 . . . . 10 GLY HA3 . 19608 1 107 . 1 1 10 10 GLY C C 13 175.362 0.3 . 1 . . . . 10 GLY C . 19608 1 108 . 1 1 10 10 GLY CA C 13 48.322 0.3 . 1 . . . . 10 GLY CA . 19608 1 109 . 1 1 10 10 GLY N N 15 105.898 0.3 . 1 . . . . 10 GLY N . 19608 1 110 . 1 1 11 11 LEU H H 1 8.428 0.02 . 1 . . . . 11 LEU H . 19608 1 111 . 1 1 11 11 LEU HA H 1 4.196 0.02 . 1 . . . . 11 LEU HA . 19608 1 112 . 1 1 11 11 LEU HB2 H 1 1.566 0.02 . 2 . . . . 11 LEU HB2 . 19608 1 113 . 1 1 11 11 LEU HB3 H 1 1.929 0.02 . 2 . . . . 11 LEU HB3 . 19608 1 114 . 1 1 11 11 LEU HG H 1 1.659 0.02 . 1 . . . . 11 LEU HG . 19608 1 115 . 1 1 11 11 LEU HD11 H 1 0.887 0.02 . 1 . . . . 11 LEU HD1 . 19608 1 116 . 1 1 11 11 LEU HD12 H 1 0.887 0.02 . 1 . . . . 11 LEU HD1 . 19608 1 117 . 1 1 11 11 LEU HD13 H 1 0.887 0.02 . 1 . . . . 11 LEU HD1 . 19608 1 118 . 1 1 11 11 LEU HD21 H 1 0.496 0.02 . 1 . . . . 11 LEU HD2 . 19608 1 119 . 1 1 11 11 LEU HD22 H 1 0.496 0.02 . 1 . . . . 11 LEU HD2 . 19608 1 120 . 1 1 11 11 LEU HD23 H 1 0.496 0.02 . 1 . . . . 11 LEU HD2 . 19608 1 121 . 1 1 11 11 LEU C C 13 180.137 0.3 . 1 . . . . 11 LEU C . 19608 1 122 . 1 1 11 11 LEU CA C 13 58.597 0.3 . 1 . . . . 11 LEU CA . 19608 1 123 . 1 1 11 11 LEU CB C 13 40.434 0.3 . 1 . . . . 11 LEU CB . 19608 1 124 . 1 1 11 11 LEU CG C 13 28.548 0.3 . 1 . . . . 11 LEU CG . 19608 1 125 . 1 1 11 11 LEU CD1 C 13 22.966 0.3 . 1 . . . . 11 LEU CD1 . 19608 1 126 . 1 1 11 11 LEU CD2 C 13 24.786 0.3 . 1 . . . . 11 LEU CD2 . 19608 1 127 . 1 1 11 11 LEU N N 15 118.773 0.3 . 1 . . . . 11 LEU N . 19608 1 128 . 1 1 12 12 THR H H 1 7.412 0.02 . 1 . . . . 12 THR H . 19608 1 129 . 1 1 12 12 THR HA H 1 4.302 0.02 . 1 . . . . 12 THR HA . 19608 1 130 . 1 1 12 12 THR HB H 1 3.877 0.02 . 1 . . . . 12 THR HB . 19608 1 131 . 1 1 12 12 THR HG21 H 1 1.512 0.02 . 1 . . . . 12 THR HG2 . 19608 1 132 . 1 1 12 12 THR HG22 H 1 1.512 0.02 . 1 . . . . 12 THR HG2 . 19608 1 133 . 1 1 12 12 THR HG23 H 1 1.512 0.02 . 1 . . . . 12 THR HG2 . 19608 1 134 . 1 1 12 12 THR C C 13 176.218 0.3 . 1 . . . . 12 THR C . 19608 1 135 . 1 1 12 12 THR CA C 13 68.487 0.3 . 1 . . . . 12 THR CA . 19608 1 136 . 1 1 12 12 THR CB C 13 68.638 0.3 . 1 . . . . 12 THR CB . 19608 1 137 . 1 1 12 12 THR CG2 C 13 21.99 0.3 . 1 . . . . 12 THR CG2 . 19608 1 138 . 1 1 12 12 THR N N 15 114.893 0.3 . 1 . . . . 12 THR N . 19608 1 139 . 1 1 13 13 LEU H H 1 7.964 0.02 . 1 . . . . 13 LEU H . 19608 1 140 . 1 1 13 13 LEU HA H 1 4.629 0.02 . 1 . . . . 13 LEU HA . 19608 1 141 . 1 1 13 13 LEU HB2 H 1 1.945 0.02 . 2 . . . . 13 LEU HB2 . 19608 1 142 . 1 1 13 13 LEU HB3 H 1 1.538 0.02 . 2 . . . . 13 LEU HB3 . 19608 1 143 . 1 1 13 13 LEU HG H 1 1.266 0.02 . 1 . . . . 13 LEU HG . 19608 1 144 . 1 1 13 13 LEU HD11 H 1 0.907 0.02 . 1 . . . . 13 LEU HD1 . 19608 1 145 . 1 1 13 13 LEU HD12 H 1 0.907 0.02 . 1 . . . . 13 LEU HD1 . 19608 1 146 . 1 1 13 13 LEU HD13 H 1 0.907 0.02 . 1 . . . . 13 LEU HD1 . 19608 1 147 . 1 1 13 13 LEU HD21 H 1 0.94 0.02 . 1 . . . . 13 LEU HD2 . 19608 1 148 . 1 1 13 13 LEU HD22 H 1 0.94 0.02 . 1 . . . . 13 LEU HD2 . 19608 1 149 . 1 1 13 13 LEU HD23 H 1 0.94 0.02 . 1 . . . . 13 LEU HD2 . 19608 1 150 . 1 1 13 13 LEU C C 13 179.394 0.3 . 1 . . . . 13 LEU C . 19608 1 151 . 1 1 13 13 LEU CA C 13 56.813 0.3 . 1 . . . . 13 LEU CA . 19608 1 152 . 1 1 13 13 LEU CB C 13 43.957 0.3 . 1 . . . . 13 LEU CB . 19608 1 153 . 1 1 13 13 LEU CG C 13 28.005 0.3 . 1 . . . . 13 LEU CG . 19608 1 154 . 1 1 13 13 LEU CD1 C 13 25.908 0.3 . 1 . . . . 13 LEU CD1 . 19608 1 155 . 1 1 13 13 LEU CD2 C 13 23.65 0.3 . 1 . . . . 13 LEU CD2 . 19608 1 156 . 1 1 13 13 LEU N N 15 118.003 0.3 . 1 . . . . 13 LEU N . 19608 1 157 . 1 1 14 14 VAL H H 1 8.146 0.02 . 1 . . . . 14 VAL H . 19608 1 158 . 1 1 14 14 VAL HA H 1 3.96 0.02 . 1 . . . . 14 VAL HA . 19608 1 159 . 1 1 14 14 VAL HB H 1 2.507 0.02 . 1 . . . . 14 VAL HB . 19608 1 160 . 1 1 14 14 VAL HG11 H 1 1.285 0.02 . 1 . . . . 14 VAL HG1 . 19608 1 161 . 1 1 14 14 VAL HG12 H 1 1.285 0.02 . 1 . . . . 14 VAL HG1 . 19608 1 162 . 1 1 14 14 VAL HG13 H 1 1.285 0.02 . 1 . . . . 14 VAL HG1 . 19608 1 163 . 1 1 14 14 VAL HG21 H 1 1.308 0.02 . 1 . . . . 14 VAL HG2 . 19608 1 164 . 1 1 14 14 VAL HG22 H 1 1.308 0.02 . 1 . . . . 14 VAL HG2 . 19608 1 165 . 1 1 14 14 VAL HG23 H 1 1.308 0.02 . 1 . . . . 14 VAL HG2 . 19608 1 166 . 1 1 14 14 VAL CA C 13 69.099 0.3 . 1 . . . . 14 VAL CA . 19608 1 167 . 1 1 14 14 VAL CB C 13 31.109 0.3 . 1 . . . . 14 VAL CB . 19608 1 168 . 1 1 14 14 VAL CG1 C 13 21.721 0.3 . 1 . . . . 14 VAL CG1 . 19608 1 169 . 1 1 14 14 VAL CG2 C 13 25.172 0.3 . 1 . . . . 14 VAL CG2 . 19608 1 170 . 1 1 14 14 VAL N N 15 118.327 0.3 . 1 . . . . 14 VAL N . 19608 1 171 . 1 1 15 15 PRO HA H 1 4.6 0.02 . 1 . . . . 15 PRO HA . 19608 1 172 . 1 1 15 15 PRO HB2 H 1 2.032 0.02 . 2 . . . . 15 PRO HB2 . 19608 1 173 . 1 1 15 15 PRO HB3 H 1 2.371 0.02 . 2 . . . . 15 PRO HB3 . 19608 1 174 . 1 1 15 15 PRO HG2 H 1 1.759 0.02 . 2 . . . . 15 PRO HG2 . 19608 1 175 . 1 1 15 15 PRO HG3 H 1 1.963 0.02 . 2 . . . . 15 PRO HG3 . 19608 1 176 . 1 1 15 15 PRO HD2 H 1 3.701 0.02 . 2 . . . . 15 PRO HD2 . 19608 1 177 . 1 1 15 15 PRO HD3 H 1 4.075 0.02 . 2 . . . . 15 PRO HD3 . 19608 1 178 . 1 1 15 15 PRO C C 13 179.018 0.3 . 1 . . . . 15 PRO C . 19608 1 179 . 1 1 15 15 PRO CA C 13 67.512 0.3 . 1 . . . . 15 PRO CA . 19608 1 180 . 1 1 15 15 PRO CB C 13 32.279 0.3 . 1 . . . . 15 PRO CB . 19608 1 181 . 1 1 15 15 PRO CG C 13 27.711 0.3 . 1 . . . . 15 PRO CG . 19608 1 182 . 1 1 15 15 PRO CD C 13 49.694 0.3 . 1 . . . . 15 PRO CD . 19608 1 183 . 1 1 16 16 SER H H 1 7.322 0.02 . 1 . . . . 16 SER H . 19608 1 184 . 1 1 16 16 SER HA H 1 3.863 0.02 . 1 . . . . 16 SER HA . 19608 1 185 . 1 1 16 16 SER HB2 H 1 4.152 0.02 . 2 . . . . 16 SER HB2 . 19608 1 186 . 1 1 16 16 SER HB3 H 1 3.944 0.02 . 2 . . . . 16 SER HB3 . 19608 1 187 . 1 1 16 16 SER C C 13 177.111 0.3 . 1 . . . . 16 SER C . 19608 1 188 . 1 1 16 16 SER CA C 13 62.889 0.3 . 1 . . . . 16 SER CA . 19608 1 189 . 1 1 16 16 SER CB C 13 63.539 0.3 . 1 . . . . 16 SER CB . 19608 1 190 . 1 1 16 16 SER N N 15 109.973 0.3 . 1 . . . . 16 SER N . 19608 1 191 . 1 1 17 17 LEU H H 1 8.209 0.02 . 1 . . . . 17 LEU H . 19608 1 192 . 1 1 17 17 LEU HA H 1 4.064 0.02 . 1 . . . . 17 LEU HA . 19608 1 193 . 1 1 17 17 LEU HB2 H 1 1.866 0.02 . 2 . . . . 17 LEU HB2 . 19608 1 194 . 1 1 17 17 LEU HB3 H 1 1.458 0.02 . 2 . . . . 17 LEU HB3 . 19608 1 195 . 1 1 17 17 LEU HG H 1 1.849 0.02 . 1 . . . . 17 LEU HG . 19608 1 196 . 1 1 17 17 LEU HD11 H 1 0.95 0.02 . 1 . . . . 17 LEU HD1 . 19608 1 197 . 1 1 17 17 LEU HD12 H 1 0.95 0.02 . 1 . . . . 17 LEU HD1 . 19608 1 198 . 1 1 17 17 LEU HD13 H 1 0.95 0.02 . 1 . . . . 17 LEU HD1 . 19608 1 199 . 1 1 17 17 LEU HD21 H 1 0.835 0.02 . 1 . . . . 17 LEU HD2 . 19608 1 200 . 1 1 17 17 LEU HD22 H 1 0.835 0.02 . 1 . . . . 17 LEU HD2 . 19608 1 201 . 1 1 17 17 LEU HD23 H 1 0.835 0.02 . 1 . . . . 17 LEU HD2 . 19608 1 202 . 1 1 17 17 LEU C C 13 179.282 0.3 . 1 . . . . 17 LEU C . 19608 1 203 . 1 1 17 17 LEU CA C 13 58.829 0.3 . 1 . . . . 17 LEU CA . 19608 1 204 . 1 1 17 17 LEU CB C 13 41.43 0.3 . 1 . . . . 17 LEU CB . 19608 1 205 . 1 1 17 17 LEU CG C 13 27.105 0.3 . 1 . . . . 17 LEU CG . 19608 1 206 . 1 1 17 17 LEU CD1 C 13 25.293 0.3 . 1 . . . . 17 LEU CD1 . 19608 1 207 . 1 1 17 17 LEU CD2 C 13 23.623 0.3 . 1 . . . . 17 LEU CD2 . 19608 1 208 . 1 1 17 17 LEU N N 15 122.96 0.3 . 1 . . . . 17 LEU N . 19608 1 209 . 1 1 18 18 GLY H H 1 6.926 0.02 . 1 . . . . 18 GLY H . 19608 1 210 . 1 1 18 18 GLY HA2 H 1 2.932 0.02 . 2 . . . . 18 GLY HA2 . 19608 1 211 . 1 1 18 18 GLY HA3 H 1 1.519 0.02 . 2 . . . . 18 GLY HA3 . 19608 1 212 . 1 1 18 18 GLY C C 13 177.148 0.3 . 1 . . . . 18 GLY C . 19608 1 213 . 1 1 18 18 GLY CA C 13 45.201 0.3 . 1 . . . . 18 GLY CA . 19608 1 214 . 1 1 18 18 GLY N N 15 123.894 0.3 . 1 . . . . 18 GLY N . 19608 1 215 . 1 1 19 19 GLY H H 1 7.413 0.02 . 1 . . . . 19 GLY H . 19608 1 216 . 1 1 19 19 GLY HA2 H 1 3.833 0.02 . 2 . . . . 19 GLY HA2 . 19608 1 217 . 1 1 19 19 GLY HA3 H 1 4.168 0.02 . 2 . . . . 19 GLY HA3 . 19608 1 218 . 1 1 19 19 GLY C C 13 176.001 0.3 . 1 . . . . 19 GLY C . 19608 1 219 . 1 1 19 19 GLY CA C 13 47.511 0.3 . 1 . . . . 19 GLY CA . 19608 1 220 . 1 1 19 19 GLY N N 15 109.087 0.3 . 1 . . . . 19 GLY N . 19608 1 221 . 1 1 20 20 PHE H H 1 8.514 0.02 . 1 . . . . 20 PHE H . 19608 1 222 . 1 1 20 20 PHE HA H 1 4.464 0.02 . 1 . . . . 20 PHE HA . 19608 1 223 . 1 1 20 20 PHE HB2 H 1 3.216 0.02 . 2 . . . . 20 PHE HB2 . 19608 1 224 . 1 1 20 20 PHE HB3 H 1 3.276 0.02 . 2 . . . . 20 PHE HB3 . 19608 1 225 . 1 1 20 20 PHE HD1 H 1 7.32 0.02 . 3 . . . . 20 PHE HD1 . 19608 1 226 . 1 1 20 20 PHE HD2 H 1 7.319 0.02 . 3 . . . . 20 PHE HD2 . 19608 1 227 . 1 1 20 20 PHE HE1 H 1 7.319 0.02 . 1 . . . . 20 PHE HE1 . 19608 1 228 . 1 1 20 20 PHE HE2 H 1 7.319 0.02 . 1 . . . . 20 PHE HE2 . 19608 1 229 . 1 1 20 20 PHE HZ H 1 7.179 0.02 . 1 . . . . 20 PHE HZ . 19608 1 230 . 1 1 20 20 PHE C C 13 178.643 0.3 . 1 . . . . 20 PHE C . 19608 1 231 . 1 1 20 20 PHE CA C 13 62.172 0.3 . 1 . . . . 20 PHE CA . 19608 1 232 . 1 1 20 20 PHE CB C 13 39.008 0.3 . 1 . . . . 20 PHE CB . 19608 1 233 . 1 1 20 20 PHE CD1 C 13 131.738 0.3 . 1 . . . . 20 PHE CD1 . 19608 1 234 . 1 1 20 20 PHE CD2 C 13 131.738 0.3 . 1 . . . . 20 PHE CD2 . 19608 1 235 . 1 1 20 20 PHE CE1 C 13 131.394 0.3 . 1 . . . . 20 PHE CE1 . 19608 1 236 . 1 1 20 20 PHE CE2 C 13 131.324 0.3 . 1 . . . . 20 PHE CE2 . 19608 1 237 . 1 1 20 20 PHE CZ C 13 129.365 0.3 . 1 . . . . 20 PHE CZ . 19608 1 238 . 1 1 20 20 PHE N N 15 120.836 0.3 . 1 . . . . 20 PHE N . 19608 1 239 . 1 1 21 21 MET H H 1 7.825 0.02 . 1 . . . . 21 MET H . 19608 1 240 . 1 1 21 21 MET HA H 1 4.21 0.02 . 1 . . . . 21 MET HA . 19608 1 241 . 1 1 21 21 MET HB2 H 1 2.599 0.02 . 2 . . . . 21 MET HB2 . 19608 1 242 . 1 1 21 21 MET HB3 H 1 2.12 0.02 . 2 . . . . 21 MET HB3 . 19608 1 243 . 1 1 21 21 MET HG2 H 1 2.123 0.02 . 2 . . . . 21 MET HG2 . 19608 1 244 . 1 1 21 21 MET HG3 H 1 2.606 0.02 . 2 . . . . 21 MET HG3 . 19608 1 245 . 1 1 21 21 MET HE1 H 1 2.085 0.02 . 1 . . . . 21 MET HE . 19608 1 246 . 1 1 21 21 MET HE2 H 1 2.085 0.02 . 1 . . . . 21 MET HE . 19608 1 247 . 1 1 21 21 MET HE3 H 1 2.085 0.02 . 1 . . . . 21 MET HE . 19608 1 248 . 1 1 21 21 MET C C 13 179.075 0.3 . 1 . . . . 21 MET C . 19608 1 249 . 1 1 21 21 MET CA C 13 59.224 0.3 . 1 . . . . 21 MET CA . 19608 1 250 . 1 1 21 21 MET CB C 13 32.854 0.3 . 1 . . . . 21 MET CB . 19608 1 251 . 1 1 21 21 MET CG C 13 32.629 0.3 . 1 . . . . 21 MET CG . 19608 1 252 . 1 1 21 21 MET CE C 13 17.802 0.3 . 1 . . . . 21 MET CE . 19608 1 253 . 1 1 21 21 MET N N 15 117.212 0.3 . 1 . . . . 21 MET N . 19608 1 254 . 1 1 22 22 GLY H H 1 8.263 0.02 . 1 . . . . 22 GLY H . 19608 1 255 . 1 1 22 22 GLY HA2 H 1 4.167 0.02 . 2 . . . . 22 GLY HA2 . 19608 1 256 . 1 1 22 22 GLY HA3 H 1 4.05 0.02 . 2 . . . . 22 GLY HA3 . 19608 1 257 . 1 1 22 22 GLY C C 13 176.716 0.3 . 1 . . . . 22 GLY C . 19608 1 258 . 1 1 22 22 GLY CA C 13 48.166 0.3 . 1 . . . . 22 GLY CA . 19608 1 259 . 1 1 22 22 GLY N N 15 107.032 0.3 . 1 . . . . 22 GLY N . 19608 1 260 . 1 1 23 23 ALA H H 1 8.281 0.02 . 1 . . . . 23 ALA H . 19608 1 261 . 1 1 23 23 ALA HA H 1 4.254 0.02 . 1 . . . . 23 ALA HA . 19608 1 262 . 1 1 23 23 ALA HB1 H 1 1.725 0.02 . 1 . . . . 23 ALA HB . 19608 1 263 . 1 1 23 23 ALA HB2 H 1 1.725 0.02 . 1 . . . . 23 ALA HB . 19608 1 264 . 1 1 23 23 ALA HB3 H 1 1.725 0.02 . 1 . . . . 23 ALA HB . 19608 1 265 . 1 1 23 23 ALA C C 13 179.488 0.3 . 1 . . . . 23 ALA C . 19608 1 266 . 1 1 23 23 ALA CA C 13 55.137 0.3 . 1 . . . . 23 ALA CA . 19608 1 267 . 1 1 23 23 ALA CB C 13 18.701 0.3 . 1 . . . . 23 ALA CB . 19608 1 268 . 1 1 23 23 ALA N N 15 121.837 0.3 . 1 . . . . 23 ALA N . 19608 1 269 . 1 1 24 24 TYR H H 1 8.13 0.02 . 1 . . . . 24 TYR H . 19608 1 270 . 1 1 24 24 TYR HA H 1 3.951 0.02 . 1 . . . . 24 TYR HA . 19608 1 271 . 1 1 24 24 TYR HB2 H 1 3.051 0.02 . 2 . . . . 24 TYR HB2 . 19608 1 272 . 1 1 24 24 TYR HB3 H 1 2.971 0.02 . 2 . . . . 24 TYR HB3 . 19608 1 273 . 1 1 24 24 TYR HD1 H 1 6.474 0.02 . 3 . . . . 24 TYR HD1 . 19608 1 274 . 1 1 24 24 TYR HD2 H 1 6.468 0.02 . 3 . . . . 24 TYR HD2 . 19608 1 275 . 1 1 24 24 TYR HE1 H 1 6.669 0.02 . 3 . . . . 24 TYR HE1 . 19608 1 276 . 1 1 24 24 TYR HE2 H 1 6.669 0.02 . 3 . . . . 24 TYR HE2 . 19608 1 277 . 1 1 24 24 TYR C C 13 177.327 0.3 . 1 . . . . 24 TYR C . 19608 1 278 . 1 1 24 24 TYR CA C 13 62.2 0.3 . 1 . . . . 24 TYR CA . 19608 1 279 . 1 1 24 24 TYR CB C 13 38.958 0.3 . 1 . . . . 24 TYR CB . 19608 1 280 . 1 1 24 24 TYR CD1 C 13 132.99 0.3 . 1 . . . . 24 TYR CD1 . 19608 1 281 . 1 1 24 24 TYR CD2 C 13 132.99 0.3 . 1 . . . . 24 TYR CD2 . 19608 1 282 . 1 1 24 24 TYR CE1 C 13 118.302 0.3 . 1 . . . . 24 TYR CE1 . 19608 1 283 . 1 1 24 24 TYR CE2 C 13 118.302 0.3 . 1 . . . . 24 TYR CE2 . 19608 1 284 . 1 1 24 24 TYR N N 15 119.079 0.3 . 1 . . . . 24 TYR N . 19608 1 285 . 1 1 25 25 PHE H H 1 7.685 0.02 . 1 . . . . 25 PHE H . 19608 1 286 . 1 1 25 25 PHE HA H 1 4.291 0.02 . 1 . . . . 25 PHE HA . 19608 1 287 . 1 1 25 25 PHE HB2 H 1 2.98 0.02 . 2 . . . . 25 PHE HB2 . 19608 1 288 . 1 1 25 25 PHE HB3 H 1 3.206 0.02 . 2 . . . . 25 PHE HB3 . 19608 1 289 . 1 1 25 25 PHE HD1 H 1 6.121 0.02 . 1 . . . . 25 PHE HD1 . 19608 1 290 . 1 1 25 25 PHE HD2 H 1 6.121 0.02 . 1 . . . . 25 PHE HD2 . 19608 1 291 . 1 1 25 25 PHE HE1 H 1 6.984 0.02 . 1 . . . . 25 PHE HE1 . 19608 1 292 . 1 1 25 25 PHE HE2 H 1 6.984 0.02 . 1 . . . . 25 PHE HE2 . 19608 1 293 . 1 1 25 25 PHE HZ H 1 7.302 0.02 . 1 . . . . 25 PHE HZ . 19608 1 294 . 1 1 25 25 PHE C C 13 176.49 0.3 . 1 . . . . 25 PHE C . 19608 1 295 . 1 1 25 25 PHE CA C 13 60.606 0.3 . 1 . . . . 25 PHE CA . 19608 1 296 . 1 1 25 25 PHE CB C 13 40.099 0.3 . 1 . . . . 25 PHE CB . 19608 1 297 . 1 1 25 25 PHE CD1 C 13 132.365 0.3 . 1 . . . . 25 PHE CD1 . 19608 1 298 . 1 1 25 25 PHE CD2 C 13 132.365 0.3 . 1 . . . . 25 PHE CD2 . 19608 1 299 . 1 1 25 25 PHE CE1 C 13 130.417 0.3 . 1 . . . . 25 PHE CE1 . 19608 1 300 . 1 1 25 25 PHE CE2 C 13 130.417 0.3 . 1 . . . . 25 PHE CE2 . 19608 1 301 . 1 1 25 25 PHE CZ C 13 130.035 0.3 . 1 . . . . 25 PHE CZ . 19608 1 302 . 1 1 25 25 PHE N N 15 113.399 0.3 . 1 . . . . 25 PHE N . 19608 1 303 . 1 1 26 26 VAL H H 1 7.515 0.02 . 1 . . . . 26 VAL H . 19608 1 304 . 1 1 26 26 VAL HA H 1 3.555 0.02 . 1 . . . . 26 VAL HA . 19608 1 305 . 1 1 26 26 VAL HB H 1 2.036 0.02 . 1 . . . . 26 VAL HB . 19608 1 306 . 1 1 26 26 VAL HG11 H 1 0.626 0.02 . 1 . . . . 26 VAL HG1 . 19608 1 307 . 1 1 26 26 VAL HG12 H 1 0.626 0.02 . 1 . . . . 26 VAL HG1 . 19608 1 308 . 1 1 26 26 VAL HG13 H 1 0.626 0.02 . 1 . . . . 26 VAL HG1 . 19608 1 309 . 1 1 26 26 VAL HG21 H 1 0.589 0.02 . 1 . . . . 26 VAL HG2 . 19608 1 310 . 1 1 26 26 VAL HG22 H 1 0.589 0.02 . 1 . . . . 26 VAL HG2 . 19608 1 311 . 1 1 26 26 VAL HG23 H 1 0.589 0.02 . 1 . . . . 26 VAL HG2 . 19608 1 312 . 1 1 26 26 VAL C C 13 175.588 0.3 . 1 . . . . 26 VAL C . 19608 1 313 . 1 1 26 26 VAL CA C 13 63.651 0.3 . 1 . . . . 26 VAL CA . 19608 1 314 . 1 1 26 26 VAL CB C 13 32.305 0.3 . 1 . . . . 26 VAL CB . 19608 1 315 . 1 1 26 26 VAL CG1 C 13 22.036 0.3 . 1 . . . . 26 VAL CG1 . 19608 1 316 . 1 1 26 26 VAL CG2 C 13 21.407 0.3 . 1 . . . . 26 VAL CG2 . 19608 1 317 . 1 1 26 26 VAL N N 15 118.296 0.3 . 1 . . . . 26 VAL N . 19608 1 318 . 1 1 27 27 ARG H H 1 7.24 0.02 . 1 . . . . 27 ARG H . 19608 1 319 . 1 1 27 27 ARG HA H 1 4.108 0.02 . 1 . . . . 27 ARG HA . 19608 1 320 . 1 1 27 27 ARG HB2 H 1 1.898 0.02 . 2 . . . . 27 ARG HB2 . 19608 1 321 . 1 1 27 27 ARG HB3 H 1 1.911 0.02 . 2 . . . . 27 ARG HB3 . 19608 1 322 . 1 1 27 27 ARG HG2 H 1 1.718 0.02 . 2 . . . . 27 ARG HG2 . 19608 1 323 . 1 1 27 27 ARG HG3 H 1 1.712 0.02 . 2 . . . . 27 ARG HG3 . 19608 1 324 . 1 1 27 27 ARG HD2 H 1 3.131 0.02 . 2 . . . . 27 ARG HD2 . 19608 1 325 . 1 1 27 27 ARG HD3 H 1 3.139 0.02 . 2 . . . . 27 ARG HD3 . 19608 1 326 . 1 1 27 27 ARG C C 13 177.383 0.3 . 1 . . . . 27 ARG C . 19608 1 327 . 1 1 27 27 ARG CA C 13 57.276 0.3 . 1 . . . . 27 ARG CA . 19608 1 328 . 1 1 27 27 ARG CB C 13 31.238 0.3 . 1 . . . . 27 ARG CB . 19608 1 329 . 1 1 27 27 ARG CG C 13 27.356 0.3 . 1 . . . . 27 ARG CG . 19608 1 330 . 1 1 27 27 ARG CD C 13 44.029 0.3 . 1 . . . . 27 ARG CD . 19608 1 331 . 1 1 27 27 ARG N N 15 115.619 0.3 . 1 . . . . 27 ARG N . 19608 1 332 . 1 1 28 28 GLY H H 1 9.026 0.02 . 1 . . . . 28 GLY H . 19608 1 333 . 1 1 28 28 GLY HA2 H 1 4.21 0.02 . 2 . . . . 28 GLY HA2 . 19608 1 334 . 1 1 28 28 GLY HA3 H 1 3.771 0.02 . 2 . . . . 28 GLY HA3 . 19608 1 335 . 1 1 28 28 GLY CA C 13 46.933 0.3 . 1 . . . . 28 GLY CA . 19608 1 336 . 1 1 28 28 GLY N N 15 111.677 0.3 . 1 . . . . 28 GLY N . 19608 1 337 . 1 1 29 29 GLU HA H 1 4.228 0.02 . 1 . . . . 29 GLU HA . 19608 1 338 . 1 1 29 29 GLU HB2 H 1 2.216 0.02 . 2 . . . . 29 GLU HB2 . 19608 1 339 . 1 1 29 29 GLU HB3 H 1 2.246 0.02 . 2 . . . . 29 GLU HB3 . 19608 1 340 . 1 1 29 29 GLU HG2 H 1 2.524 0.02 . 2 . . . . 29 GLU HG2 . 19608 1 341 . 1 1 29 29 GLU HG3 H 1 2.503 0.02 . 2 . . . . 29 GLU HG3 . 19608 1 342 . 1 1 29 29 GLU C C 13 179.592 0.3 . 1 . . . . 29 GLU C . 19608 1 343 . 1 1 29 29 GLU CA C 13 59.458 0.3 . 1 . . . . 29 GLU CA . 19608 1 344 . 1 1 29 29 GLU CB C 13 30.247 0.3 . 1 . . . . 29 GLU CB . 19608 1 345 . 1 1 29 29 GLU CG C 13 36.84 0.3 . 1 . . . . 29 GLU CG . 19608 1 346 . 1 1 30 30 GLY H H 1 8.57 0.02 . 1 . . . . 30 GLY H . 19608 1 347 . 1 1 30 30 GLY HA2 H 1 4.371 0.02 . 2 . . . . 30 GLY HA2 . 19608 1 348 . 1 1 30 30 GLY HA3 H 1 4.418 0.02 . 2 . . . . 30 GLY HA3 . 19608 1 349 . 1 1 30 30 GLY C C 13 176.932 0.3 . 1 . . . . 30 GLY C . 19608 1 350 . 1 1 30 30 GLY CA C 13 48.684 0.3 . 1 . . . . 30 GLY CA . 19608 1 351 . 1 1 30 30 GLY N N 15 109.23 0.3 . 1 . . . . 30 GLY N . 19608 1 352 . 1 1 31 31 LEU H H 1 7.834 0.02 . 1 . . . . 31 LEU H . 19608 1 353 . 1 1 31 31 LEU HA H 1 4.499 0.02 . 1 . . . . 31 LEU HA . 19608 1 354 . 1 1 31 31 LEU HB2 H 1 1.931 0.02 . 2 . . . . 31 LEU HB2 . 19608 1 355 . 1 1 31 31 LEU HB3 H 1 1.942 0.02 . 2 . . . . 31 LEU HB3 . 19608 1 356 . 1 1 31 31 LEU HG H 1 1.946 0.02 . 1 . . . . 31 LEU HG . 19608 1 357 . 1 1 31 31 LEU HD11 H 1 1.116 0.02 . 1 . . . . 31 LEU HD1 . 19608 1 358 . 1 1 31 31 LEU HD12 H 1 1.116 0.02 . 1 . . . . 31 LEU HD1 . 19608 1 359 . 1 1 31 31 LEU HD13 H 1 1.116 0.02 . 1 . . . . 31 LEU HD1 . 19608 1 360 . 1 1 31 31 LEU HD21 H 1 1.034 0.02 . 1 . . . . 31 LEU HD2 . 19608 1 361 . 1 1 31 31 LEU HD22 H 1 1.034 0.02 . 1 . . . . 31 LEU HD2 . 19608 1 362 . 1 1 31 31 LEU HD23 H 1 1.034 0.02 . 1 . . . . 31 LEU HD2 . 19608 1 363 . 1 1 31 31 LEU C C 13 180.193 0.3 . 1 . . . . 31 LEU C . 19608 1 364 . 1 1 31 31 LEU CA C 13 58.362 0.3 . 1 . . . . 31 LEU CA . 19608 1 365 . 1 1 31 31 LEU CB C 13 42.17 0.3 . 1 . . . . 31 LEU CB . 19608 1 366 . 1 1 31 31 LEU CG C 13 27.47 0.3 . 1 . . . . 31 LEU CG . 19608 1 367 . 1 1 31 31 LEU CD1 C 13 25.518 0.3 . 1 . . . . 31 LEU CD1 . 19608 1 368 . 1 1 31 31 LEU CD2 C 13 25.013 0.3 . 1 . . . . 31 LEU CD2 . 19608 1 369 . 1 1 31 31 LEU N N 15 123.208 0.3 . 1 . . . . 31 LEU N . 19608 1 370 . 1 1 32 32 ARG H H 1 7.883 0.02 . 1 . . . . 32 ARG H . 19608 1 371 . 1 1 32 32 ARG HA H 1 4.202 0.02 . 1 . . . . 32 ARG HA . 19608 1 372 . 1 1 32 32 ARG HB2 H 1 2.072 0.02 . 2 . . . . 32 ARG HB2 . 19608 1 373 . 1 1 32 32 ARG HB3 H 1 2.114 0.02 . 2 . . . . 32 ARG HB3 . 19608 1 374 . 1 1 32 32 ARG HG2 H 1 1.78 0.02 . 2 . . . . 32 ARG HG2 . 19608 1 375 . 1 1 32 32 ARG HG3 H 1 1.762 0.02 . 2 . . . . 32 ARG HG3 . 19608 1 376 . 1 1 32 32 ARG HD2 H 1 3.406 0.02 . 2 . . . . 32 ARG HD2 . 19608 1 377 . 1 1 32 32 ARG HD3 H 1 3.385 0.02 . 2 . . . . 32 ARG HD3 . 19608 1 378 . 1 1 32 32 ARG C C 13 180.109 0.3 . 1 . . . . 32 ARG C . 19608 1 379 . 1 1 32 32 ARG CA C 13 60.199 0.3 . 1 . . . . 32 ARG CA . 19608 1 380 . 1 1 32 32 ARG CB C 13 30.648 0.3 . 1 . . . . 32 ARG CB . 19608 1 381 . 1 1 32 32 ARG CG C 13 28.163 0.3 . 1 . . . . 32 ARG CG . 19608 1 382 . 1 1 32 32 ARG CD C 13 43.769 0.3 . 1 . . . . 32 ARG CD . 19608 1 383 . 1 1 32 32 ARG N N 15 120.604 0.3 . 1 . . . . 32 ARG N . 19608 1 384 . 1 1 33 33 TRP H H 1 8.708 0.02 . 1 . . . . 33 TRP H . 19608 1 385 . 1 1 33 33 TRP HA H 1 4.482 0.02 . 1 . . . . 33 TRP HA . 19608 1 386 . 1 1 33 33 TRP HB2 H 1 3.538 0.02 . 2 . . . . 33 TRP HB2 . 19608 1 387 . 1 1 33 33 TRP HB3 H 1 3.912 0.02 . 2 . . . . 33 TRP HB3 . 19608 1 388 . 1 1 33 33 TRP HD1 H 1 7.368 0.02 . 1 . . . . 33 TRP HD1 . 19608 1 389 . 1 1 33 33 TRP HE1 H 1 10.258 0.02 . 1 . . . . 33 TRP HE1 . 19608 1 390 . 1 1 33 33 TRP HZ2 H 1 7.175 0.02 . 1 . . . . 33 TRP HZ2 . 19608 1 391 . 1 1 33 33 TRP C C 13 179.479 0.3 . 1 . . . . 33 TRP C . 19608 1 392 . 1 1 33 33 TRP CA C 13 60.975 0.3 . 1 . . . . 33 TRP CA . 19608 1 393 . 1 1 33 33 TRP CB C 13 27.883 0.3 . 1 . . . . 33 TRP CB . 19608 1 394 . 1 1 33 33 TRP CD1 C 13 126.738 0.3 . 1 . . . . 33 TRP CD1 . 19608 1 395 . 1 1 33 33 TRP CZ2 C 13 114.284 0.3 . 1 . . . . 33 TRP CZ2 . 19608 1 396 . 1 1 33 33 TRP N N 15 122.131 0.3 . 1 . . . . 33 TRP N . 19608 1 397 . 1 1 33 33 TRP NE1 N 15 108.826 0.3 . 1 . . . . 33 TRP NE1 . 19608 1 398 . 1 1 34 34 TYR H H 1 8.786 0.02 . 1 . . . . 34 TYR H . 19608 1 399 . 1 1 34 34 TYR HA H 1 4.463 0.02 . 1 . . . . 34 TYR HA . 19608 1 400 . 1 1 34 34 TYR HB2 H 1 3.737 0.02 . 2 . . . . 34 TYR HB2 . 19608 1 401 . 1 1 34 34 TYR HB3 H 1 3.261 0.02 . 2 . . . . 34 TYR HB3 . 19608 1 402 . 1 1 34 34 TYR HD1 H 1 7.001 0.02 . 3 . . . . 34 TYR HD1 . 19608 1 403 . 1 1 34 34 TYR HD2 H 1 7.001 0.02 . 3 . . . . 34 TYR HD2 . 19608 1 404 . 1 1 34 34 TYR HE1 H 1 6.837 0.02 . 1 . . . . 34 TYR HE1 . 19608 1 405 . 1 1 34 34 TYR HE2 H 1 6.837 0.02 . 1 . . . . 34 TYR HE2 . 19608 1 406 . 1 1 34 34 TYR C C 13 179.977 0.3 . 1 . . . . 34 TYR C . 19608 1 407 . 1 1 34 34 TYR CA C 13 61.045 0.3 . 1 . . . . 34 TYR CA . 19608 1 408 . 1 1 34 34 TYR CB C 13 40.306 0.3 . 1 . . . . 34 TYR CB . 19608 1 409 . 1 1 34 34 TYR CD1 C 13 133.222 0.3 . 1 . . . . 34 TYR CD1 . 19608 1 410 . 1 1 34 34 TYR CD2 C 13 133.222 0.3 . 1 . . . . 34 TYR CD2 . 19608 1 411 . 1 1 34 34 TYR CE1 C 13 118.461 0.3 . 1 . . . . 34 TYR CE1 . 19608 1 412 . 1 1 34 34 TYR CE2 C 13 118.461 0.3 . 1 . . . . 34 TYR CE2 . 19608 1 413 . 1 1 34 34 TYR N N 15 121.055 0.3 . 1 . . . . 34 TYR N . 19608 1 414 . 1 1 35 35 ALA H H 1 8.781 0.02 . 1 . . . . 35 ALA H . 19608 1 415 . 1 1 35 35 ALA HA H 1 3.95 0.02 . 1 . . . . 35 ALA HA . 19608 1 416 . 1 1 35 35 ALA HB1 H 1 1.661 0.02 . 1 . . . . 35 ALA HB . 19608 1 417 . 1 1 35 35 ALA HB2 H 1 1.661 0.02 . 1 . . . . 35 ALA HB . 19608 1 418 . 1 1 35 35 ALA HB3 H 1 1.661 0.02 . 1 . . . . 35 ALA HB . 19608 1 419 . 1 1 35 35 ALA C C 13 179.329 0.3 . 1 . . . . 35 ALA C . 19608 1 420 . 1 1 35 35 ALA CA C 13 55.307 0.3 . 1 . . . . 35 ALA CA . 19608 1 421 . 1 1 35 35 ALA CB C 13 18.614 0.3 . 1 . . . . 35 ALA CB . 19608 1 422 . 1 1 35 35 ALA N N 15 121.318 0.3 . 1 . . . . 35 ALA N . 19608 1 423 . 1 1 36 36 GLY H H 1 7.383 0.02 . 1 . . . . 36 GLY H . 19608 1 424 . 1 1 36 36 GLY HA2 H 1 3.872 0.02 . 2 . . . . 36 GLY HA2 . 19608 1 425 . 1 1 36 36 GLY HA3 H 1 4.146 0.02 . 2 . . . . 36 GLY HA3 . 19608 1 426 . 1 1 36 36 GLY C C 13 175.203 0.3 . 1 . . . . 36 GLY C . 19608 1 427 . 1 1 36 36 GLY CA C 13 45.54 0.3 . 1 . . . . 36 GLY CA . 19608 1 428 . 1 1 36 36 GLY N N 15 124.199 0.3 . 1 . . . . 36 GLY N . 19608 1 429 . 1 1 37 37 LEU H H 1 6.894 0.02 . 1 . . . . 37 LEU H . 19608 1 430 . 1 1 37 37 LEU HA H 1 4.039 0.02 . 1 . . . . 37 LEU HA . 19608 1 431 . 1 1 37 37 LEU HB2 H 1 1.15 0.02 . 2 . . . . 37 LEU HB2 . 19608 1 432 . 1 1 37 37 LEU HB3 H 1 0.994 0.02 . 2 . . . . 37 LEU HB3 . 19608 1 433 . 1 1 37 37 LEU HG H 1 1.254 0.02 . 1 . . . . 37 LEU HG . 19608 1 434 . 1 1 37 37 LEU HD11 H 1 0.002 0.02 . 1 . . . . 37 LEU HD1 . 19608 1 435 . 1 1 37 37 LEU HD12 H 1 0.002 0.02 . 1 . . . . 37 LEU HD1 . 19608 1 436 . 1 1 37 37 LEU HD13 H 1 0.002 0.02 . 1 . . . . 37 LEU HD1 . 19608 1 437 . 1 1 37 37 LEU HD21 H 1 0.366 0.02 . 1 . . . . 37 LEU HD2 . 19608 1 438 . 1 1 37 37 LEU HD22 H 1 0.366 0.02 . 1 . . . . 37 LEU HD2 . 19608 1 439 . 1 1 37 37 LEU HD23 H 1 0.366 0.02 . 1 . . . . 37 LEU HD2 . 19608 1 440 . 1 1 37 37 LEU C C 13 178.567 0.3 . 1 . . . . 37 LEU C . 19608 1 441 . 1 1 37 37 LEU CA C 13 54.516 0.3 . 1 . . . . 37 LEU CA . 19608 1 442 . 1 1 37 37 LEU CB C 13 41.746 0.3 . 1 . . . . 37 LEU CB . 19608 1 443 . 1 1 37 37 LEU CG C 13 25.305 0.3 . 1 . . . . 37 LEU CG . 19608 1 444 . 1 1 37 37 LEU CD1 C 13 26.045 0.3 . 1 . . . . 37 LEU CD1 . 19608 1 445 . 1 1 37 37 LEU CD2 C 13 21.347 0.3 . 1 . . . . 37 LEU CD2 . 19608 1 446 . 1 1 37 37 LEU N N 15 119.597 0.3 . 1 . . . . 37 LEU N . 19608 1 447 . 1 1 38 38 GLN H H 1 9.42 0.02 . 1 . . . . 38 GLN H . 19608 1 448 . 1 1 38 38 GLN HA H 1 4.315 0.02 . 1 . . . . 38 GLN HA . 19608 1 449 . 1 1 38 38 GLN HB2 H 1 1.977 0.02 . 2 . . . . 38 GLN HB2 . 19608 1 450 . 1 1 38 38 GLN HB3 H 1 2 0.02 . 2 . . . . 38 GLN HB3 . 19608 1 451 . 1 1 38 38 GLN HG2 H 1 2.395 0.02 . 2 . . . . 38 GLN HG2 . 19608 1 452 . 1 1 38 38 GLN HG3 H 1 2.38 0.02 . 2 . . . . 38 GLN HG3 . 19608 1 453 . 1 1 38 38 GLN HE21 H 1 6.836 0.02 . 1 . . . . 38 GLN HE21 . 19608 1 454 . 1 1 38 38 GLN HE22 H 1 7.479 0.02 . 1 . . . . 38 GLN HE22 . 19608 1 455 . 1 1 38 38 GLN C C 13 177.167 0.3 . 1 . . . . 38 GLN C . 19608 1 456 . 1 1 38 38 GLN CA C 13 57.141 0.3 . 1 . . . . 38 GLN CA . 19608 1 457 . 1 1 38 38 GLN CB C 13 28.718 0.3 . 1 . . . . 38 GLN CB . 19608 1 458 . 1 1 38 38 GLN CG C 13 33.922 0.3 . 1 . . . . 38 GLN CG . 19608 1 459 . 1 1 38 38 GLN N N 15 124.29 0.3 . 1 . . . . 38 GLN N . 19608 1 460 . 1 1 38 38 GLN NE2 N 15 112.363 0.3 . 1 . . . . 38 GLN NE2 . 19608 1 461 . 1 1 39 39 LYS H H 1 8.584 0.02 . 1 . . . . 39 LYS H . 19608 1 462 . 1 1 39 39 LYS HA H 1 4.745 0.02 . 1 . . . . 39 LYS HA . 19608 1 463 . 1 1 39 39 LYS HB2 H 1 2.539 0.02 . 2 . . . . 39 LYS HB2 . 19608 1 464 . 1 1 39 39 LYS HB3 H 1 1.494 0.02 . 2 . . . . 39 LYS HB3 . 19608 1 465 . 1 1 39 39 LYS HG2 H 1 1.091 0.02 . 2 . . . . 39 LYS HG2 . 19608 1 466 . 1 1 39 39 LYS HG3 H 1 0.89 0.02 . 2 . . . . 39 LYS HG3 . 19608 1 467 . 1 1 39 39 LYS HD2 H 1 1.433 0.02 . 2 . . . . 39 LYS HD2 . 19608 1 468 . 1 1 39 39 LYS HD3 H 1 0.922 0.02 . 2 . . . . 39 LYS HD3 . 19608 1 469 . 1 1 39 39 LYS HE2 H 1 2.477 0.02 . 2 . . . . 39 LYS HE2 . 19608 1 470 . 1 1 39 39 LYS HE3 H 1 2.127 0.02 . 2 . . . . 39 LYS HE3 . 19608 1 471 . 1 1 39 39 LYS CA C 13 53.722 0.3 . 1 . . . . 39 LYS CA . 19608 1 472 . 1 1 39 39 LYS CB C 13 32.812 0.3 . 1 . . . . 39 LYS CB . 19608 1 473 . 1 1 39 39 LYS CG C 13 27.575 0.3 . 1 . . . . 39 LYS CG . 19608 1 474 . 1 1 39 39 LYS CD C 13 29.822 0.3 . 1 . . . . 39 LYS CD . 19608 1 475 . 1 1 39 39 LYS CE C 13 40.401 0.3 . 1 . . . . 39 LYS CE . 19608 1 476 . 1 1 39 39 LYS N N 15 126.506 0.3 . 1 . . . . 39 LYS N . 19608 1 477 . 1 1 40 40 PRO HA H 1 4.323 0.02 . 1 . . . . 40 PRO HA . 19608 1 478 . 1 1 40 40 PRO HB2 H 1 0.002 0.02 . 2 . . . . 40 PRO HB2 . 19608 1 479 . 1 1 40 40 PRO HB3 H 1 1.304 0.02 . 2 . . . . 40 PRO HB3 . 19608 1 480 . 1 1 40 40 PRO HG2 H 1 0.915 0.02 . 2 . . . . 40 PRO HG2 . 19608 1 481 . 1 1 40 40 PRO HG3 H 1 1.283 0.02 . 2 . . . . 40 PRO HG3 . 19608 1 482 . 1 1 40 40 PRO HD2 H 1 2.991 0.02 . 2 . . . . 40 PRO HD2 . 19608 1 483 . 1 1 40 40 PRO HD3 H 1 4.144 0.02 . 2 . . . . 40 PRO HD3 . 19608 1 484 . 1 1 40 40 PRO CA C 13 62.296 0.3 . 1 . . . . 40 PRO CA . 19608 1 485 . 1 1 40 40 PRO CB C 13 31.63 0.3 . 1 . . . . 40 PRO CB . 19608 1 486 . 1 1 40 40 PRO CG C 13 28.145 0.3 . 1 . . . . 40 PRO CG . 19608 1 487 . 1 1 40 40 PRO CD C 13 50.647 0.3 . 1 . . . . 40 PRO CD . 19608 1 488 . 1 1 41 41 SER HA H 1 4.5 0.02 . 1 . . . . 41 SER HA . 19608 1 489 . 1 1 41 41 SER HB2 H 1 4.227 0.02 . 2 . . . . 41 SER HB2 . 19608 1 490 . 1 1 41 41 SER HB3 H 1 3.967 0.02 . 2 . . . . 41 SER HB3 . 19608 1 491 . 1 1 41 41 SER C C 13 175.24 0.3 . 1 . . . . 41 SER C . 19608 1 492 . 1 1 41 41 SER CA C 13 61.166 0.3 . 1 . . . . 41 SER CA . 19608 1 493 . 1 1 41 41 SER CB C 13 63.703 0.3 . 1 . . . . 41 SER CB . 19608 1 494 . 1 1 42 42 TRP H H 1 6.662 0.02 . 1 . . . . 42 TRP H . 19608 1 495 . 1 1 42 42 TRP HA H 1 4.741 0.02 . 1 . . . . 42 TRP HA . 19608 1 496 . 1 1 42 42 TRP HB2 H 1 3.91 0.02 . 2 . . . . 42 TRP HB2 . 19608 1 497 . 1 1 42 42 TRP HB3 H 1 3.203 0.02 . 2 . . . . 42 TRP HB3 . 19608 1 498 . 1 1 42 42 TRP HD1 H 1 7.408 0.02 . 1 . . . . 42 TRP HD1 . 19608 1 499 . 1 1 42 42 TRP HE1 H 1 10.661 0.02 . 1 . . . . 42 TRP HE1 . 19608 1 500 . 1 1 42 42 TRP HZ2 H 1 6.862 0.02 . 1 . . . . 42 TRP HZ2 . 19608 1 501 . 1 1 42 42 TRP C C 13 175.24 0.3 . 1 . . . . 42 TRP C . 19608 1 502 . 1 1 42 42 TRP CA C 13 53.608 0.3 . 1 . . . . 42 TRP CA . 19608 1 503 . 1 1 42 42 TRP CB C 13 27.834 0.3 . 1 . . . . 42 TRP CB . 19608 1 504 . 1 1 42 42 TRP CD1 C 13 128.825 0.3 . 1 . . . . 42 TRP CD1 . 19608 1 505 . 1 1 42 42 TRP CZ2 C 13 114.852 0.3 . 1 . . . . 42 TRP CZ2 . 19608 1 506 . 1 1 42 42 TRP N N 15 116.099 0.3 . 1 . . . . 42 TRP N . 19608 1 507 . 1 1 42 42 TRP NE1 N 15 111.115 0.3 . 1 . . . . 42 TRP NE1 . 19608 1 508 . 1 1 43 43 HIS H H 1 7.222 0.02 . 1 . . . . 43 HIS H . 19608 1 509 . 1 1 43 43 HIS HA H 1 4.185 0.02 . 1 . . . . 43 HIS HA . 19608 1 510 . 1 1 43 43 HIS HB2 H 1 3.095 0.02 . 2 . . . . 43 HIS HB2 . 19608 1 511 . 1 1 43 43 HIS HB3 H 1 3.043 0.02 . 2 . . . . 43 HIS HB3 . 19608 1 512 . 1 1 43 43 HIS HD2 H 1 6.764 0.02 . 1 . . . . 43 HIS HD2 . 19608 1 513 . 1 1 43 43 HIS CA C 13 56.23 0.3 . 1 . . . . 43 HIS CA . 19608 1 514 . 1 1 43 43 HIS CB C 13 29.632 0.3 . 1 . . . . 43 HIS CB . 19608 1 515 . 1 1 43 43 HIS CD2 C 13 118.17 0.3 . 1 . . . . 43 HIS CD2 . 19608 1 516 . 1 1 43 43 HIS N N 15 119.449 0.3 . 1 . . . . 43 HIS N . 19608 1 517 . 1 1 44 44 PRO HA H 1 4.879 0.02 . 1 . . . . 44 PRO HA . 19608 1 518 . 1 1 44 44 PRO HB2 H 1 2.481 0.02 . 2 . . . . 44 PRO HB2 . 19608 1 519 . 1 1 44 44 PRO HB3 H 1 2.131 0.02 . 2 . . . . 44 PRO HB3 . 19608 1 520 . 1 1 44 44 PRO HG2 H 1 1.978 0.02 . 2 . . . . 44 PRO HG2 . 19608 1 521 . 1 1 44 44 PRO HG3 H 1 2.426 0.02 . 2 . . . . 44 PRO HG3 . 19608 1 522 . 1 1 44 44 PRO HD2 H 1 4.093 0.02 . 2 . . . . 44 PRO HD2 . 19608 1 523 . 1 1 44 44 PRO HD3 H 1 3.435 0.02 . 2 . . . . 44 PRO HD3 . 19608 1 524 . 1 1 44 44 PRO CA C 13 61.935 0.3 . 1 . . . . 44 PRO CA . 19608 1 525 . 1 1 44 44 PRO CB C 13 31.276 0.3 . 1 . . . . 44 PRO CB . 19608 1 526 . 1 1 44 44 PRO CG C 13 28.253 0.3 . 1 . . . . 44 PRO CG . 19608 1 527 . 1 1 44 44 PRO CD C 13 50.93 0.3 . 1 . . . . 44 PRO CD . 19608 1 528 . 1 1 45 45 PRO HA H 1 4.869 0.02 . 1 . . . . 45 PRO HA . 19608 1 529 . 1 1 45 45 PRO HB2 H 1 1.748 0.02 . 2 . . . . 45 PRO HB2 . 19608 1 530 . 1 1 45 45 PRO HB3 H 1 2.77 0.02 . 2 . . . . 45 PRO HB3 . 19608 1 531 . 1 1 45 45 PRO HG2 H 1 2.422 0.02 . 2 . . . . 45 PRO HG2 . 19608 1 532 . 1 1 45 45 PRO HG3 H 1 1.978 0.02 . 2 . . . . 45 PRO HG3 . 19608 1 533 . 1 1 45 45 PRO HD2 H 1 3.445 0.02 . 2 . . . . 45 PRO HD2 . 19608 1 534 . 1 1 45 45 PRO HD3 H 1 4.082 0.02 . 2 . . . . 45 PRO HD3 . 19608 1 535 . 1 1 45 45 PRO CA C 13 62.656 0.3 . 1 . . . . 45 PRO CA . 19608 1 536 . 1 1 45 45 PRO CB C 13 33.301 0.3 . 1 . . . . 45 PRO CB . 19608 1 537 . 1 1 45 45 PRO CG C 13 28.146 0.3 . 1 . . . . 45 PRO CG . 19608 1 538 . 1 1 45 45 PRO CD C 13 51.034 0.3 . 1 . . . . 45 PRO CD . 19608 1 539 . 1 1 46 46 ARG HA H 1 4.074 0.02 . 1 . . . . 46 ARG HA . 19608 1 540 . 1 1 46 46 ARG HB2 H 1 2.226 0.02 . 2 . . . . 46 ARG HB2 . 19608 1 541 . 1 1 46 46 ARG HB3 H 1 2.321 0.02 . 2 . . . . 46 ARG HB3 . 19608 1 542 . 1 1 46 46 ARG HG2 H 1 1.861 0.02 . 2 . . . . 46 ARG HG2 . 19608 1 543 . 1 1 46 46 ARG HG3 H 1 1.977 0.02 . 2 . . . . 46 ARG HG3 . 19608 1 544 . 1 1 46 46 ARG HD2 H 1 3.425 0.02 . 2 . . . . 46 ARG HD2 . 19608 1 545 . 1 1 46 46 ARG HD3 H 1 3.406 0.02 . 2 . . . . 46 ARG HD3 . 19608 1 546 . 1 1 46 46 ARG C C 13 179.78 0.3 . 1 . . . . 46 ARG C . 19608 1 547 . 1 1 46 46 ARG CA C 13 60.741 0.3 . 1 . . . . 46 ARG CA . 19608 1 548 . 1 1 46 46 ARG CB C 13 30.539 0.3 . 1 . . . . 46 ARG CB . 19608 1 549 . 1 1 46 46 ARG CG C 13 27.216 0.3 . 1 . . . . 46 ARG CG . 19608 1 550 . 1 1 46 46 ARG CD C 13 44.124 0.3 . 1 . . . . 46 ARG CD . 19608 1 551 . 1 1 47 47 TRP H H 1 8.297 0.02 . 1 . . . . 47 TRP H . 19608 1 552 . 1 1 47 47 TRP HA H 1 4.666 0.02 . 1 . . . . 47 TRP HA . 19608 1 553 . 1 1 47 47 TRP HB2 H 1 3.809 0.02 . 2 . . . . 47 TRP HB2 . 19608 1 554 . 1 1 47 47 TRP HB3 H 1 3.452 0.02 . 2 . . . . 47 TRP HB3 . 19608 1 555 . 1 1 47 47 TRP HD1 H 1 7.865 0.02 . 1 . . . . 47 TRP HD1 . 19608 1 556 . 1 1 47 47 TRP HE1 H 1 11.202 0.02 . 1 . . . . 47 TRP HE1 . 19608 1 557 . 1 1 47 47 TRP HZ2 H 1 7.702 0.02 . 1 . . . . 47 TRP HZ2 . 19608 1 558 . 1 1 47 47 TRP C C 13 177.43 0.3 . 1 . . . . 47 TRP C . 19608 1 559 . 1 1 47 47 TRP CA C 13 58.94 0.3 . 1 . . . . 47 TRP CA . 19608 1 560 . 1 1 47 47 TRP CB C 13 28.525 0.3 . 1 . . . . 47 TRP CB . 19608 1 561 . 1 1 47 47 TRP CD1 C 13 128.797 0.3 . 1 . . . . 47 TRP CD1 . 19608 1 562 . 1 1 47 47 TRP CZ2 C 13 115.051 0.3 . 1 . . . . 47 TRP CZ2 . 19608 1 563 . 1 1 47 47 TRP N N 15 115.585 0.3 . 1 . . . . 47 TRP N . 19608 1 564 . 1 1 47 47 TRP NE1 N 15 111.343 0.3 . 1 . . . . 47 TRP NE1 . 19608 1 565 . 1 1 48 48 THR H H 1 6.932 0.02 . 1 . . . . 48 THR H . 19608 1 566 . 1 1 48 48 THR HA H 1 3.619 0.02 . 1 . . . . 48 THR HA . 19608 1 567 . 1 1 48 48 THR HB H 1 3.789 0.02 . 1 . . . . 48 THR HB . 19608 1 568 . 1 1 48 48 THR HG21 H 1 -0.093 0.02 . 1 . . . . 48 THR HG2 . 19608 1 569 . 1 1 48 48 THR HG22 H 1 -0.093 0.02 . 1 . . . . 48 THR HG2 . 19608 1 570 . 1 1 48 48 THR HG23 H 1 -0.093 0.02 . 1 . . . . 48 THR HG2 . 19608 1 571 . 1 1 48 48 THR C C 13 177.298 0.3 . 1 . . . . 48 THR C . 19608 1 572 . 1 1 48 48 THR CA C 13 63.813 0.3 . 1 . . . . 48 THR CA . 19608 1 573 . 1 1 48 48 THR CB C 13 70.035 0.3 . 1 . . . . 48 THR CB . 19608 1 574 . 1 1 48 48 THR CG2 C 13 21.594 0.3 . 1 . . . . 48 THR CG2 . 19608 1 575 . 1 1 48 48 THR N N 15 108.12 0.3 . 1 . . . . 48 THR N . 19608 1 576 . 1 1 49 49 LEU H H 1 7.327 0.02 . 1 . . . . 49 LEU H . 19608 1 577 . 1 1 49 49 LEU HA H 1 4.066 0.02 . 1 . . . . 49 LEU HA . 19608 1 578 . 1 1 49 49 LEU HB2 H 1 2.104 0.02 . 2 . . . . 49 LEU HB2 . 19608 1 579 . 1 1 49 49 LEU HB3 H 1 1.62 0.02 . 2 . . . . 49 LEU HB3 . 19608 1 580 . 1 1 49 49 LEU HG H 1 2.111 0.02 . 1 . . . . 49 LEU HG . 19608 1 581 . 1 1 49 49 LEU HD11 H 1 1.331 0.02 . 1 . . . . 49 LEU HD1 . 19608 1 582 . 1 1 49 49 LEU HD12 H 1 1.331 0.02 . 1 . . . . 49 LEU HD1 . 19608 1 583 . 1 1 49 49 LEU HD13 H 1 1.331 0.02 . 1 . . . . 49 LEU HD1 . 19608 1 584 . 1 1 49 49 LEU HD21 H 1 1.304 0.02 . 1 . . . . 49 LEU HD2 . 19608 1 585 . 1 1 49 49 LEU HD22 H 1 1.304 0.02 . 1 . . . . 49 LEU HD2 . 19608 1 586 . 1 1 49 49 LEU HD23 H 1 1.304 0.02 . 1 . . . . 49 LEU HD2 . 19608 1 587 . 1 1 49 49 LEU C C 13 178.558 0.3 . 1 . . . . 49 LEU C . 19608 1 588 . 1 1 49 49 LEU CA C 13 59.241 0.3 . 1 . . . . 49 LEU CA . 19608 1 589 . 1 1 49 49 LEU CB C 13 42.112 0.3 . 1 . . . . 49 LEU CB . 19608 1 590 . 1 1 49 49 LEU CG C 13 27.466 0.3 . 1 . . . . 49 LEU CG . 19608 1 591 . 1 1 49 49 LEU CD1 C 13 27.2 0.3 . 1 . . . . 49 LEU CD1 . 19608 1 592 . 1 1 49 49 LEU CD2 C 13 23.822 0.3 . 1 . . . . 49 LEU CD2 . 19608 1 593 . 1 1 49 49 LEU N N 15 120.252 0.3 . 1 . . . . 49 LEU N . 19608 1 594 . 1 1 50 50 ALA H H 1 9.134 0.02 . 1 . . . . 50 ALA H . 19608 1 595 . 1 1 50 50 ALA HA H 1 4.511 0.02 . 1 . . . . 50 ALA HA . 19608 1 596 . 1 1 50 50 ALA HB1 H 1 1.602 0.02 . 1 . . . . 50 ALA HB . 19608 1 597 . 1 1 50 50 ALA HB2 H 1 1.602 0.02 . 1 . . . . 50 ALA HB . 19608 1 598 . 1 1 50 50 ALA HB3 H 1 1.602 0.02 . 1 . . . . 50 ALA HB . 19608 1 599 . 1 1 50 50 ALA CA C 13 57.055 0.3 . 1 . . . . 50 ALA CA . 19608 1 600 . 1 1 50 50 ALA CB C 13 16.023 0.3 . 1 . . . . 50 ALA CB . 19608 1 601 . 1 1 50 50 ALA N N 15 120.501 0.3 . 1 . . . . 50 ALA N . 19608 1 602 . 1 1 51 51 PRO HA H 1 4.464 0.02 . 1 . . . . 51 PRO HA . 19608 1 603 . 1 1 51 51 PRO HB2 H 1 2.211 0.02 . 2 . . . . 51 PRO HB2 . 19608 1 604 . 1 1 51 51 PRO HB3 H 1 2.057 0.02 . 2 . . . . 51 PRO HB3 . 19608 1 605 . 1 1 51 51 PRO HG2 H 1 1.75 0.02 . 2 . . . . 51 PRO HG2 . 19608 1 606 . 1 1 51 51 PRO HG3 H 1 1.716 0.02 . 2 . . . . 51 PRO HG3 . 19608 1 607 . 1 1 51 51 PRO HD2 H 1 3.79 0.02 . 2 . . . . 51 PRO HD2 . 19608 1 608 . 1 1 51 51 PRO HD3 H 1 3.838 0.02 . 2 . . . . 51 PRO HD3 . 19608 1 609 . 1 1 51 51 PRO C C 13 179.432 0.3 . 1 . . . . 51 PRO C . 19608 1 610 . 1 1 51 51 PRO CA C 13 59.296 0.3 . 1 . . . . 51 PRO CA . 19608 1 611 . 1 1 51 51 PRO CB C 13 31.092 0.3 . 1 . . . . 51 PRO CB . 19608 1 612 . 1 1 51 51 PRO CG C 13 27.532 0.3 . 1 . . . . 51 PRO CG . 19608 1 613 . 1 1 51 51 PRO CD C 13 51.021 0.3 . 1 . . . . 51 PRO CD . 19608 1 614 . 1 1 52 52 ILE H H 1 7.67 0.02 . 1 . . . . 52 ILE H . 19608 1 615 . 1 1 52 52 ILE HA H 1 3.237 0.02 . 1 . . . . 52 ILE HA . 19608 1 616 . 1 1 52 52 ILE HB H 1 1.345 0.02 . 1 . . . . 52 ILE HB . 19608 1 617 . 1 1 52 52 ILE HG12 H 1 1.612 0.02 . 2 . . . . 52 ILE HG12 . 19608 1 618 . 1 1 52 52 ILE HG13 H 1 0.342 0.02 . 2 . . . . 52 ILE HG13 . 19608 1 619 . 1 1 52 52 ILE HG21 H 1 -0.982 0.02 . 1 . . . . 52 ILE HG2 . 19608 1 620 . 1 1 52 52 ILE HG22 H 1 -0.982 0.02 . 1 . . . . 52 ILE HG2 . 19608 1 621 . 1 1 52 52 ILE HG23 H 1 -0.982 0.02 . 1 . . . . 52 ILE HG2 . 19608 1 622 . 1 1 52 52 ILE HD11 H 1 0.227 0.02 . 1 . . . . 52 ILE HD1 . 19608 1 623 . 1 1 52 52 ILE HD12 H 1 0.227 0.02 . 1 . . . . 52 ILE HD1 . 19608 1 624 . 1 1 52 52 ILE HD13 H 1 0.227 0.02 . 1 . . . . 52 ILE HD1 . 19608 1 625 . 1 1 52 52 ILE C C 13 177.092 0.3 . 1 . . . . 52 ILE C . 19608 1 626 . 1 1 52 52 ILE CA C 13 66.898 0.3 . 1 . . . . 52 ILE CA . 19608 1 627 . 1 1 52 52 ILE CB C 13 37.805 0.3 . 1 . . . . 52 ILE CB . 19608 1 628 . 1 1 52 52 ILE CG1 C 13 30.536 0.3 . 1 . . . . 52 ILE CG1 . 19608 1 629 . 1 1 52 52 ILE CG2 C 13 14.467 0.3 . 1 . . . . 52 ILE CG2 . 19608 1 630 . 1 1 52 52 ILE CD1 C 13 13.828 0.3 . 1 . . . . 52 ILE CD1 . 19608 1 631 . 1 1 52 52 ILE N N 15 119.085 0.3 . 1 . . . . 52 ILE N . 19608 1 632 . 1 1 53 53 TRP H H 1 8.415 0.02 . 1 . . . . 53 TRP H . 19608 1 633 . 1 1 53 53 TRP HA H 1 4.327 0.02 . 1 . . . . 53 TRP HA . 19608 1 634 . 1 1 53 53 TRP HB2 H 1 3.241 0.02 . 2 . . . . 53 TRP HB2 . 19608 1 635 . 1 1 53 53 TRP HB3 H 1 3.062 0.02 . 2 . . . . 53 TRP HB3 . 19608 1 636 . 1 1 53 53 TRP HD1 H 1 6.967 0.02 . 1 . . . . 53 TRP HD1 . 19608 1 637 . 1 1 53 53 TRP HE1 H 1 9.989 0.02 . 1 . . . . 53 TRP HE1 . 19608 1 638 . 1 1 53 53 TRP HZ2 H 1 5.633 0.02 . 1 . . . . 53 TRP HZ2 . 19608 1 639 . 1 1 53 53 TRP C C 13 179.376 0.3 . 1 . . . . 53 TRP C . 19608 1 640 . 1 1 53 53 TRP CA C 13 62.204 0.3 . 1 . . . . 53 TRP CA . 19608 1 641 . 1 1 53 53 TRP CB C 13 30.503 0.3 . 1 . . . . 53 TRP CB . 19608 1 642 . 1 1 53 53 TRP CD1 C 13 126.76 0.3 . 1 . . . . 53 TRP CD1 . 19608 1 643 . 1 1 53 53 TRP CZ2 C 13 113.029 0.3 . 1 . . . . 53 TRP CZ2 . 19608 1 644 . 1 1 53 53 TRP N N 15 119.264 0.3 . 1 . . . . 53 TRP N . 19608 1 645 . 1 1 53 53 TRP NE1 N 15 107.208 0.3 . 1 . . . . 53 TRP NE1 . 19608 1 646 . 1 1 54 54 GLY H H 1 9.467 0.02 . 1 . . . . 54 GLY H . 19608 1 647 . 1 1 54 54 GLY HA2 H 1 3.712 0.02 . 2 . . . . 54 GLY HA2 . 19608 1 648 . 1 1 54 54 GLY HA3 H 1 4.164 0.02 . 2 . . . . 54 GLY HA3 . 19608 1 649 . 1 1 54 54 GLY C C 13 176.913 0.3 . 1 . . . . 54 GLY C . 19608 1 650 . 1 1 54 54 GLY CA C 13 48.162 0.3 . 1 . . . . 54 GLY CA . 19608 1 651 . 1 1 54 54 GLY N N 15 106.609 0.3 . 1 . . . . 54 GLY N . 19608 1 652 . 1 1 55 55 THR H H 1 7.824 0.02 . 1 . . . . 55 THR H . 19608 1 653 . 1 1 55 55 THR HA H 1 3.911 0.02 . 1 . . . . 55 THR HA . 19608 1 654 . 1 1 55 55 THR HB H 1 4.277 0.02 . 1 . . . . 55 THR HB . 19608 1 655 . 1 1 55 55 THR HG21 H 1 1.114 0.02 . 1 . . . . 55 THR HG2 . 19608 1 656 . 1 1 55 55 THR HG22 H 1 1.114 0.02 . 1 . . . . 55 THR HG2 . 19608 1 657 . 1 1 55 55 THR HG23 H 1 1.114 0.02 . 1 . . . . 55 THR HG2 . 19608 1 658 . 1 1 55 55 THR C C 13 176.387 0.3 . 1 . . . . 55 THR C . 19608 1 659 . 1 1 55 55 THR CA C 13 68.738 0.3 . 1 . . . . 55 THR CA . 19608 1 660 . 1 1 55 55 THR CB C 13 67.841 0.3 . 1 . . . . 55 THR CB . 19608 1 661 . 1 1 55 55 THR CG2 C 13 21.496 0.3 . 1 . . . . 55 THR CG2 . 19608 1 662 . 1 1 55 55 THR N N 15 120.667 0.3 . 1 . . . . 55 THR N . 19608 1 663 . 1 1 56 56 LEU H H 1 8.51 0.02 . 1 . . . . 56 LEU H . 19608 1 664 . 1 1 56 56 LEU HA H 1 3.979 0.02 . 1 . . . . 56 LEU HA . 19608 1 665 . 1 1 56 56 LEU HB2 H 1 0.854 0.02 . 2 . . . . 56 LEU HB2 . 19608 1 666 . 1 1 56 56 LEU HB3 H 1 1.468 0.02 . 2 . . . . 56 LEU HB3 . 19608 1 667 . 1 1 56 56 LEU HG H 1 1.564 0.02 . 1 . . . . 56 LEU HG . 19608 1 668 . 1 1 56 56 LEU HD11 H 1 -0.363 0.02 . 1 . . . . 56 LEU HD1 . 19608 1 669 . 1 1 56 56 LEU HD12 H 1 -0.363 0.02 . 1 . . . . 56 LEU HD1 . 19608 1 670 . 1 1 56 56 LEU HD13 H 1 -0.363 0.02 . 1 . . . . 56 LEU HD1 . 19608 1 671 . 1 1 56 56 LEU HD21 H 1 0.507 0.02 . 1 . . . . 56 LEU HD2 . 19608 1 672 . 1 1 56 56 LEU HD22 H 1 0.507 0.02 . 1 . . . . 56 LEU HD2 . 19608 1 673 . 1 1 56 56 LEU HD23 H 1 0.507 0.02 . 1 . . . . 56 LEU HD2 . 19608 1 674 . 1 1 56 56 LEU C C 13 181.415 0.3 . 1 . . . . 56 LEU C . 19608 1 675 . 1 1 56 56 LEU CA C 13 58.679 0.3 . 1 . . . . 56 LEU CA . 19608 1 676 . 1 1 56 56 LEU CB C 13 42.015 0.3 . 1 . . . . 56 LEU CB . 19608 1 677 . 1 1 56 56 LEU CG C 13 25.459 0.3 . 1 . . . . 56 LEU CG . 19608 1 678 . 1 1 56 56 LEU CD1 C 13 26.502 0.3 . 1 . . . . 56 LEU CD1 . 19608 1 679 . 1 1 56 56 LEU CD2 C 13 21.798 0.3 . 1 . . . . 56 LEU CD2 . 19608 1 680 . 1 1 56 56 LEU N N 15 120.709 0.3 . 1 . . . . 56 LEU N . 19608 1 681 . 1 1 57 57 TYR H H 1 9.439 0.02 . 1 . . . . 57 TYR H . 19608 1 682 . 1 1 57 57 TYR HA H 1 4.766 0.02 . 1 . . . . 57 TYR HA . 19608 1 683 . 1 1 57 57 TYR HB2 H 1 3.93 0.02 . 2 . . . . 57 TYR HB2 . 19608 1 684 . 1 1 57 57 TYR HB3 H 1 3.453 0.02 . 2 . . . . 57 TYR HB3 . 19608 1 685 . 1 1 57 57 TYR HD1 H 1 7.068 0.02 . 1 . . . . 57 TYR HD1 . 19608 1 686 . 1 1 57 57 TYR HD2 H 1 7.068 0.02 . 1 . . . . 57 TYR HD2 . 19608 1 687 . 1 1 57 57 TYR HE1 H 1 6.847 0.02 . 1 . . . . 57 TYR HE1 . 19608 1 688 . 1 1 57 57 TYR HE2 H 1 6.847 0.02 . 1 . . . . 57 TYR HE2 . 19608 1 689 . 1 1 57 57 TYR C C 13 179.291 0.3 . 1 . . . . 57 TYR C . 19608 1 690 . 1 1 57 57 TYR CA C 13 60.125 0.3 . 1 . . . . 57 TYR CA . 19608 1 691 . 1 1 57 57 TYR CB C 13 38.595 0.3 . 1 . . . . 57 TYR CB . 19608 1 692 . 1 1 57 57 TYR CD1 C 13 131.104 0.3 . 1 . . . . 57 TYR CD1 . 19608 1 693 . 1 1 57 57 TYR CD2 C 13 131.104 0.3 . 1 . . . . 57 TYR CD2 . 19608 1 694 . 1 1 57 57 TYR CE1 C 13 118.623 0.3 . 1 . . . . 57 TYR CE1 . 19608 1 695 . 1 1 57 57 TYR CE2 C 13 118.623 0.3 . 1 . . . . 57 TYR CE2 . 19608 1 696 . 1 1 57 57 TYR N N 15 118.466 0.3 . 1 . . . . 57 TYR N . 19608 1 697 . 1 1 58 58 SER H H 1 7.753 0.02 . 1 . . . . 58 SER H . 19608 1 698 . 1 1 58 58 SER HA H 1 4.892 0.02 . 1 . . . . 58 SER HA . 19608 1 699 . 1 1 58 58 SER HB2 H 1 3.859 0.02 . 2 . . . . 58 SER HB2 . 19608 1 700 . 1 1 58 58 SER HB3 H 1 4.201 0.02 . 2 . . . . 58 SER HB3 . 19608 1 701 . 1 1 58 58 SER C C 13 176.133 0.3 . 1 . . . . 58 SER C . 19608 1 702 . 1 1 58 58 SER CA C 13 62.806 0.3 . 1 . . . . 58 SER CA . 19608 1 703 . 1 1 58 58 SER CB C 13 63.212 0.3 . 1 . . . . 58 SER CB . 19608 1 704 . 1 1 58 58 SER N N 15 115.362 0.3 . 1 . . . . 58 SER N . 19608 1 705 . 1 1 59 59 ALA H H 1 8.837 0.02 . 1 . . . . 59 ALA H . 19608 1 706 . 1 1 59 59 ALA HA H 1 4.34 0.02 . 1 . . . . 59 ALA HA . 19608 1 707 . 1 1 59 59 ALA HB1 H 1 1.74 0.02 . 1 . . . . 59 ALA HB . 19608 1 708 . 1 1 59 59 ALA HB2 H 1 1.74 0.02 . 1 . . . . 59 ALA HB . 19608 1 709 . 1 1 59 59 ALA HB3 H 1 1.74 0.02 . 1 . . . . 59 ALA HB . 19608 1 710 . 1 1 59 59 ALA C C 13 180.09 0.3 . 1 . . . . 59 ALA C . 19608 1 711 . 1 1 59 59 ALA CA C 13 56.151 0.3 . 1 . . . . 59 ALA CA . 19608 1 712 . 1 1 59 59 ALA CB C 13 18.455 0.3 . 1 . . . . 59 ALA CB . 19608 1 713 . 1 1 59 59 ALA N N 15 124.149 0.3 . 1 . . . . 59 ALA N . 19608 1 714 . 1 1 60 60 MET H H 1 8.496 0.02 . 1 . . . . 60 MET H . 19608 1 715 . 1 1 60 60 MET HA H 1 4.513 0.02 . 1 . . . . 60 MET HA . 19608 1 716 . 1 1 60 60 MET HB2 H 1 2.261 0.02 . 2 . . . . 60 MET HB2 . 19608 1 717 . 1 1 60 60 MET HB3 H 1 2.24 0.02 . 2 . . . . 60 MET HB3 . 19608 1 718 . 1 1 60 60 MET HG2 H 1 2.24 0.02 . 2 . . . . 60 MET HG2 . 19608 1 719 . 1 1 60 60 MET HG3 H 1 2.276 0.02 . 2 . . . . 60 MET HG3 . 19608 1 720 . 1 1 60 60 MET HE1 H 1 1.202 0.02 . 1 . . . . 60 MET HE . 19608 1 721 . 1 1 60 60 MET HE2 H 1 1.202 0.02 . 1 . . . . 60 MET HE . 19608 1 722 . 1 1 60 60 MET HE3 H 1 1.202 0.02 . 1 . . . . 60 MET HE . 19608 1 723 . 1 1 60 60 MET C C 13 178.041 0.3 . 1 . . . . 60 MET C . 19608 1 724 . 1 1 60 60 MET CA C 13 59.365 0.3 . 1 . . . . 60 MET CA . 19608 1 725 . 1 1 60 60 MET CB C 13 32.257 0.3 . 1 . . . . 60 MET CB . 19608 1 726 . 1 1 60 60 MET CG C 13 32.175 0.3 . 1 . . . . 60 MET CG . 19608 1 727 . 1 1 60 60 MET CE C 13 13.602 0.3 . 1 . . . . 60 MET CE . 19608 1 728 . 1 1 60 60 MET N N 15 115.964 0.3 . 1 . . . . 60 MET N . 19608 1 729 . 1 1 61 61 GLY H H 1 8.729 0.02 . 1 . . . . 61 GLY H . 19608 1 730 . 1 1 61 61 GLY HA2 H 1 4.333 0.02 . 2 . . . . 61 GLY HA2 . 19608 1 731 . 1 1 61 61 GLY HA3 H 1 3.88 0.02 . 2 . . . . 61 GLY HA3 . 19608 1 732 . 1 1 61 61 GLY C C 13 178.144 0.3 . 1 . . . . 61 GLY C . 19608 1 733 . 1 1 61 61 GLY CA C 13 48.413 0.3 . 1 . . . . 61 GLY CA . 19608 1 734 . 1 1 61 61 GLY N N 15 111.549 0.3 . 1 . . . . 61 GLY N . 19608 1 735 . 1 1 62 62 TYR H H 1 9.4 0.02 . 1 . . . . 62 TYR H . 19608 1 736 . 1 1 62 62 TYR HA H 1 4.532 0.02 . 1 . . . . 62 TYR HA . 19608 1 737 . 1 1 62 62 TYR HB2 H 1 3.513 0.02 . 2 . . . . 62 TYR HB2 . 19608 1 738 . 1 1 62 62 TYR HB3 H 1 3.033 0.02 . 2 . . . . 62 TYR HB3 . 19608 1 739 . 1 1 62 62 TYR HD1 H 1 7.112 0.02 . 3 . . . . 62 TYR HD1 . 19608 1 740 . 1 1 62 62 TYR HD2 H 1 7.112 0.02 . 3 . . . . 62 TYR HD2 . 19608 1 741 . 1 1 62 62 TYR HE1 H 1 6.768 0.02 . 3 . . . . 62 TYR HE1 . 19608 1 742 . 1 1 62 62 TYR HE2 H 1 6.768 0.02 . 3 . . . . 62 TYR HE2 . 19608 1 743 . 1 1 62 62 TYR C C 13 179.253 0.3 . 1 . . . . 62 TYR C . 19608 1 744 . 1 1 62 62 TYR CA C 13 62.512 0.3 . 1 . . . . 62 TYR CA . 19608 1 745 . 1 1 62 62 TYR CB C 13 38.494 0.3 . 1 . . . . 62 TYR CB . 19608 1 746 . 1 1 62 62 TYR CD1 C 13 132.95 0.3 . 1 . . . . 62 TYR CD1 . 19608 1 747 . 1 1 62 62 TYR CD2 C 13 132.95 0.3 . 1 . . . . 62 TYR CD2 . 19608 1 748 . 1 1 62 62 TYR CE1 C 13 118.061 0.3 . 1 . . . . 62 TYR CE1 . 19608 1 749 . 1 1 62 62 TYR CE2 C 13 118.061 0.3 . 1 . . . . 62 TYR CE2 . 19608 1 750 . 1 1 62 62 TYR N N 15 106.209 0.3 . 1 . . . . 62 TYR N . 19608 1 751 . 1 1 63 63 GLY H H 1 8.925 0.02 . 1 . . . . 63 GLY H . 19608 1 752 . 1 1 63 63 GLY HA2 H 1 1.277 0.02 . 2 . . . . 63 GLY HA2 . 19608 1 753 . 1 1 63 63 GLY HA3 H 1 3.941 0.02 . 2 . . . . 63 GLY HA3 . 19608 1 754 . 1 1 63 63 GLY C C 13 175.231 0.3 . 1 . . . . 63 GLY C . 19608 1 755 . 1 1 63 63 GLY CA C 13 48.93 0.3 . 1 . . . . 63 GLY CA . 19608 1 756 . 1 1 63 63 GLY N N 15 107.001 0.3 . 1 . . . . 63 GLY N . 19608 1 757 . 1 1 64 64 SER H H 1 8.516 0.02 . 1 . . . . 64 SER H . 19608 1 758 . 1 1 64 64 SER HA H 1 3.31 0.02 . 1 . . . . 64 SER HA . 19608 1 759 . 1 1 64 64 SER HB2 H 1 3.143 0.02 . 2 . . . . 64 SER HB2 . 19608 1 760 . 1 1 64 64 SER HB3 H 1 3.6 0.02 . 2 . . . . 64 SER HB3 . 19608 1 761 . 1 1 64 64 SER C C 13 175.569 0.3 . 1 . . . . 64 SER C . 19608 1 762 . 1 1 64 64 SER CA C 13 62.4 0.3 . 1 . . . . 64 SER CA . 19608 1 763 . 1 1 64 64 SER CB C 13 62.4 0.3 . 1 . . . . 64 SER CB . 19608 1 764 . 1 1 64 64 SER N N 15 118.636 0.3 . 1 . . . . 64 SER N . 19608 1 765 . 1 1 65 65 TYR H H 1 7.444 0.02 . 1 . . . . 65 TYR H . 19608 1 766 . 1 1 65 65 TYR HA H 1 4.358 0.02 . 1 . . . . 65 TYR HA . 19608 1 767 . 1 1 65 65 TYR HB2 H 1 3.41 0.02 . 2 . . . . 65 TYR HB2 . 19608 1 768 . 1 1 65 65 TYR HB3 H 1 3.042 0.02 . 2 . . . . 65 TYR HB3 . 19608 1 769 . 1 1 65 65 TYR HD1 H 1 6.779 0.02 . 3 . . . . 65 TYR HD1 . 19608 1 770 . 1 1 65 65 TYR HD2 H 1 6.78 0.02 . 3 . . . . 65 TYR HD2 . 19608 1 771 . 1 1 65 65 TYR HE1 H 1 6.781 0.02 . 3 . . . . 65 TYR HE1 . 19608 1 772 . 1 1 65 65 TYR HE2 H 1 6.779 0.02 . 3 . . . . 65 TYR HE2 . 19608 1 773 . 1 1 65 65 TYR C C 13 176.688 0.3 . 1 . . . . 65 TYR C . 19608 1 774 . 1 1 65 65 TYR CA C 13 60.675 0.3 . 1 . . . . 65 TYR CA . 19608 1 775 . 1 1 65 65 TYR CB C 13 36.977 0.3 . 1 . . . . 65 TYR CB . 19608 1 776 . 1 1 65 65 TYR CD1 C 13 133.854 0.3 . 1 . . . . 65 TYR CD1 . 19608 1 777 . 1 1 65 65 TYR CD2 C 13 133.854 0.3 . 1 . . . . 65 TYR CD2 . 19608 1 778 . 1 1 65 65 TYR CE1 C 13 118.139 0.3 . 1 . . . . 65 TYR CE1 . 19608 1 779 . 1 1 65 65 TYR CE2 C 13 118.139 0.3 . 1 . . . . 65 TYR CE2 . 19608 1 780 . 1 1 65 65 TYR N N 15 125.109 0.3 . 1 . . . . 65 TYR N . 19608 1 781 . 1 1 66 66 ILE H H 1 7.923 0.02 . 1 . . . . 66 ILE H . 19608 1 782 . 1 1 66 66 ILE HA H 1 3.083 0.02 . 1 . . . . 66 ILE HA . 19608 1 783 . 1 1 66 66 ILE HB H 1 1.931 0.02 . 1 . . . . 66 ILE HB . 19608 1 784 . 1 1 66 66 ILE HG12 H 1 0.892 0.02 . 2 . . . . 66 ILE HG12 . 19608 1 785 . 1 1 66 66 ILE HG13 H 1 1.387 0.02 . 2 . . . . 66 ILE HG13 . 19608 1 786 . 1 1 66 66 ILE HG21 H 1 0.785 0.02 . 1 . . . . 66 ILE HG2 . 19608 1 787 . 1 1 66 66 ILE HG22 H 1 0.785 0.02 . 1 . . . . 66 ILE HG2 . 19608 1 788 . 1 1 66 66 ILE HG23 H 1 0.785 0.02 . 1 . . . . 66 ILE HG2 . 19608 1 789 . 1 1 66 66 ILE HD11 H 1 0.721 0.02 . 1 . . . . 66 ILE HD1 . 19608 1 790 . 1 1 66 66 ILE HD12 H 1 0.721 0.02 . 1 . . . . 66 ILE HD1 . 19608 1 791 . 1 1 66 66 ILE HD13 H 1 0.721 0.02 . 1 . . . . 66 ILE HD1 . 19608 1 792 . 1 1 66 66 ILE C C 13 179.498 0.3 . 1 . . . . 66 ILE C . 19608 1 793 . 1 1 66 66 ILE CA C 13 65.585 0.3 . 1 . . . . 66 ILE CA . 19608 1 794 . 1 1 66 66 ILE CB C 13 36.983 0.3 . 1 . . . . 66 ILE CB . 19608 1 795 . 1 1 66 66 ILE CG1 C 13 27.858 0.3 . 1 . . . . 66 ILE CG1 . 19608 1 796 . 1 1 66 66 ILE CG2 C 13 18.307 0.3 . 1 . . . . 66 ILE CG2 . 19608 1 797 . 1 1 66 66 ILE CD1 C 13 12.942 0.3 . 1 . . . . 66 ILE CD1 . 19608 1 798 . 1 1 66 66 ILE N N 15 121.324 0.3 . 1 . . . . 66 ILE N . 19608 1 799 . 1 1 67 67 VAL H H 1 7.525 0.02 . 1 . . . . 67 VAL H . 19608 1 800 . 1 1 67 67 VAL HA H 1 3.066 0.02 . 1 . . . . 67 VAL HA . 19608 1 801 . 1 1 67 67 VAL HB H 1 1.361 0.02 . 1 . . . . 67 VAL HB . 19608 1 802 . 1 1 67 67 VAL HG11 H 1 0.472 0.02 . 1 . . . . 67 VAL HG1 . 19608 1 803 . 1 1 67 67 VAL HG12 H 1 0.472 0.02 . 1 . . . . 67 VAL HG1 . 19608 1 804 . 1 1 67 67 VAL HG13 H 1 0.472 0.02 . 1 . . . . 67 VAL HG1 . 19608 1 805 . 1 1 67 67 VAL HG21 H 1 -0.311 0.02 . 1 . . . . 67 VAL HG2 . 19608 1 806 . 1 1 67 67 VAL HG22 H 1 -0.311 0.02 . 1 . . . . 67 VAL HG2 . 19608 1 807 . 1 1 67 67 VAL HG23 H 1 -0.311 0.02 . 1 . . . . 67 VAL HG2 . 19608 1 808 . 1 1 67 67 VAL C C 13 181.03 0.3 . 1 . . . . 67 VAL C . 19608 1 809 . 1 1 67 67 VAL CA C 13 67.898 0.3 . 1 . . . . 67 VAL CA . 19608 1 810 . 1 1 67 67 VAL CB C 13 31.452 0.3 . 1 . . . . 67 VAL CB . 19608 1 811 . 1 1 67 67 VAL CG1 C 13 21.915 0.3 . 1 . . . . 67 VAL CG1 . 19608 1 812 . 1 1 67 67 VAL CG2 C 13 21.867 0.3 . 1 . . . . 67 VAL CG2 . 19608 1 813 . 1 1 67 67 VAL N N 15 119.209 0.3 . 1 . . . . 67 VAL N . 19608 1 814 . 1 1 68 68 TRP H H 1 8.356 0.02 . 1 . . . . 68 TRP H . 19608 1 815 . 1 1 68 68 TRP HA H 1 3.739 0.02 . 1 . . . . 68 TRP HA . 19608 1 816 . 1 1 68 68 TRP HB2 H 1 3.156 0.02 . 2 . . . . 68 TRP HB2 . 19608 1 817 . 1 1 68 68 TRP HB3 H 1 2.447 0.02 . 2 . . . . 68 TRP HB3 . 19608 1 818 . 1 1 68 68 TRP HD1 H 1 6.085 0.02 . 1 . . . . 68 TRP HD1 . 19608 1 819 . 1 1 68 68 TRP HE1 H 1 9.194 0.02 . 1 . . . . 68 TRP HE1 . 19608 1 820 . 1 1 68 68 TRP HZ2 H 1 7.585 0.02 . 1 . . . . 68 TRP HZ2 . 19608 1 821 . 1 1 68 68 TRP C C 13 178.332 0.3 . 1 . . . . 68 TRP C . 19608 1 822 . 1 1 68 68 TRP CA C 13 62.339 0.3 . 1 . . . . 68 TRP CA . 19608 1 823 . 1 1 68 68 TRP CB C 13 29.343 0.3 . 1 . . . . 68 TRP CB . 19608 1 824 . 1 1 68 68 TRP CD1 C 13 125.216 0.3 . 1 . . . . 68 TRP CD1 . 19608 1 825 . 1 1 68 68 TRP CZ2 C 13 114.74 0.3 . 1 . . . . 68 TRP CZ2 . 19608 1 826 . 1 1 68 68 TRP N N 15 120.945 0.3 . 1 . . . . 68 TRP N . 19608 1 827 . 1 1 68 68 TRP NE1 N 15 107.15 0.3 . 1 . . . . 68 TRP NE1 . 19608 1 828 . 1 1 69 69 LYS H H 1 8.894 0.02 . 1 . . . . 69 LYS H . 19608 1 829 . 1 1 69 69 LYS HA H 1 3.423 0.02 . 1 . . . . 69 LYS HA . 19608 1 830 . 1 1 69 69 LYS HB2 H 1 1.545 0.02 . 2 . . . . 69 LYS HB2 . 19608 1 831 . 1 1 69 69 LYS HB3 H 1 1.652 0.02 . 2 . . . . 69 LYS HB3 . 19608 1 832 . 1 1 69 69 LYS HG2 H 1 1.279 0.02 . 2 . . . . 69 LYS HG2 . 19608 1 833 . 1 1 69 69 LYS HG3 H 1 1.301 0.02 . 2 . . . . 69 LYS HG3 . 19608 1 834 . 1 1 69 69 LYS HD2 H 1 1.644 0.02 . 2 . . . . 69 LYS HD2 . 19608 1 835 . 1 1 69 69 LYS HD3 H 1 1.605 0.02 . 2 . . . . 69 LYS HD3 . 19608 1 836 . 1 1 69 69 LYS HE2 H 1 2.945 0.02 . 2 . . . . 69 LYS HE2 . 19608 1 837 . 1 1 69 69 LYS HE3 H 1 2.877 0.02 . 2 . . . . 69 LYS HE3 . 19608 1 838 . 1 1 69 69 LYS CA C 13 59.413 0.3 . 1 . . . . 69 LYS CA . 19608 1 839 . 1 1 69 69 LYS CB C 13 32.196 0.3 . 1 . . . . 69 LYS CB . 19608 1 840 . 1 1 69 69 LYS CG C 13 24.978 0.3 . 1 . . . . 69 LYS CG . 19608 1 841 . 1 1 69 69 LYS CD C 13 29.62 0.3 . 1 . . . . 69 LYS CD . 19608 1 842 . 1 1 69 69 LYS CE C 13 42.048 0.3 . 1 . . . . 69 LYS CE . 19608 1 843 . 1 1 69 69 LYS N N 15 119.137 0.3 . 1 . . . . 69 LYS N . 19608 1 844 . 1 1 70 70 GLU H H 1 8.372 0.02 . 1 . . . . 70 GLU H . 19608 1 845 . 1 1 70 70 GLU HA H 1 4.013 0.02 . 1 . . . . 70 GLU HA . 19608 1 846 . 1 1 70 70 GLU HB2 H 1 1.969 0.02 . 2 . . . . 70 GLU HB2 . 19608 1 847 . 1 1 70 70 GLU HB3 H 1 2.035 0.02 . 2 . . . . 70 GLU HB3 . 19608 1 848 . 1 1 70 70 GLU HG2 H 1 2.457 0.02 . 2 . . . . 70 GLU HG2 . 19608 1 849 . 1 1 70 70 GLU HG3 H 1 2.18 0.02 . 2 . . . . 70 GLU HG3 . 19608 1 850 . 1 1 70 70 GLU C C 13 179.517 0.3 . 1 . . . . 70 GLU C . 19608 1 851 . 1 1 70 70 GLU CA C 13 58.814 0.3 . 1 . . . . 70 GLU CA . 19608 1 852 . 1 1 70 70 GLU CB C 13 29.58 0.3 . 1 . . . . 70 GLU CB . 19608 1 853 . 1 1 70 70 GLU CG C 13 35.984 0.3 . 1 . . . . 70 GLU CG . 19608 1 854 . 1 1 70 70 GLU N N 15 120.939 0.3 . 1 . . . . 70 GLU N . 19608 1 855 . 1 1 71 71 LEU H H 1 7.813 0.02 . 1 . . . . 71 LEU H . 19608 1 856 . 1 1 71 71 LEU HA H 1 4.295 0.02 . 1 . . . . 71 LEU HA . 19608 1 857 . 1 1 71 71 LEU HB2 H 1 1.546 0.02 . 2 . . . . 71 LEU HB2 . 19608 1 858 . 1 1 71 71 LEU HB3 H 1 1.701 0.02 . 2 . . . . 71 LEU HB3 . 19608 1 859 . 1 1 71 71 LEU HG H 1 1.821 0.02 . 1 . . . . 71 LEU HG . 19608 1 860 . 1 1 71 71 LEU HD11 H 1 0.795 0.02 . 1 . . . . 71 LEU HD1 . 19608 1 861 . 1 1 71 71 LEU HD12 H 1 0.795 0.02 . 1 . . . . 71 LEU HD1 . 19608 1 862 . 1 1 71 71 LEU HD13 H 1 0.795 0.02 . 1 . . . . 71 LEU HD1 . 19608 1 863 . 1 1 71 71 LEU HD21 H 1 0.881 0.02 . 1 . . . . 71 LEU HD2 . 19608 1 864 . 1 1 71 71 LEU HD22 H 1 0.881 0.02 . 1 . . . . 71 LEU HD2 . 19608 1 865 . 1 1 71 71 LEU HD23 H 1 0.881 0.02 . 1 . . . . 71 LEU HD2 . 19608 1 866 . 1 1 71 71 LEU C C 13 178.295 0.3 . 1 . . . . 71 LEU C . 19608 1 867 . 1 1 71 71 LEU CA C 13 55.347 0.3 . 1 . . . . 71 LEU CA . 19608 1 868 . 1 1 71 71 LEU CB C 13 42.226 0.3 . 1 . . . . 71 LEU CB . 19608 1 869 . 1 1 71 71 LEU CG C 13 27.424 0.3 . 1 . . . . 71 LEU CG . 19608 1 870 . 1 1 71 71 LEU CD1 C 13 27.159 0.3 . 1 . . . . 71 LEU CD1 . 19608 1 871 . 1 1 71 71 LEU CD2 C 13 23.055 0.3 . 1 . . . . 71 LEU CD2 . 19608 1 872 . 1 1 71 71 LEU N N 15 115.948 0.3 . 1 . . . . 71 LEU N . 19608 1 873 . 1 1 72 72 GLY H H 1 7.491 0.02 . 1 . . . . 72 GLY H . 19608 1 874 . 1 1 72 72 GLY HA2 H 1 3.956 0.02 . 2 . . . . 72 GLY HA2 . 19608 1 875 . 1 1 72 72 GLY HA3 H 1 3.424 0.02 . 2 . . . . 72 GLY HA3 . 19608 1 876 . 1 1 72 72 GLY C C 13 174.159 0.3 . 1 . . . . 72 GLY C . 19608 1 877 . 1 1 72 72 GLY CA C 13 45.604 0.3 . 1 . . . . 72 GLY CA . 19608 1 878 . 1 1 72 72 GLY N N 15 107.086 0.3 . 1 . . . . 72 GLY N . 19608 1 879 . 1 1 73 73 GLY H H 1 7.748 0.02 . 1 . . . . 73 GLY H . 19608 1 880 . 1 1 73 73 GLY HA2 H 1 1.66 0.02 . 2 . . . . 73 GLY HA2 . 19608 1 881 . 1 1 73 73 GLY HA3 H 1 3.725 0.02 . 2 . . . . 73 GLY HA3 . 19608 1 882 . 1 1 73 73 GLY C C 13 173.539 0.3 . 1 . . . . 73 GLY C . 19608 1 883 . 1 1 73 73 GLY CA C 13 42.885 0.3 . 1 . . . . 73 GLY CA . 19608 1 884 . 1 1 73 73 GLY N N 15 109.424 0.3 . 1 . . . . 73 GLY N . 19608 1 885 . 1 1 74 74 PHE H H 1 8.919 0.02 . 1 . . . . 74 PHE H . 19608 1 886 . 1 1 74 74 PHE HA H 1 4.648 0.02 . 1 . . . . 74 PHE HA . 19608 1 887 . 1 1 74 74 PHE HB2 H 1 3.334 0.02 . 2 . . . . 74 PHE HB2 . 19608 1 888 . 1 1 74 74 PHE HB3 H 1 3.144 0.02 . 2 . . . . 74 PHE HB3 . 19608 1 889 . 1 1 74 74 PHE HD1 H 1 7.512 0.02 . 3 . . . . 74 PHE HD1 . 19608 1 890 . 1 1 74 74 PHE HD2 H 1 7.509 0.02 . 3 . . . . 74 PHE HD2 . 19608 1 891 . 1 1 74 74 PHE HE1 H 1 7.354 0.02 . 1 . . . . 74 PHE HE1 . 19608 1 892 . 1 1 74 74 PHE HE2 H 1 7.354 0.02 . 1 . . . . 74 PHE HE2 . 19608 1 893 . 1 1 74 74 PHE HZ H 1 7.494 0.02 . 1 . . . . 74 PHE HZ . 19608 1 894 . 1 1 74 74 PHE C C 13 175.992 0.3 . 1 . . . . 74 PHE C . 19608 1 895 . 1 1 74 74 PHE CA C 13 57.377 0.3 . 1 . . . . 74 PHE CA . 19608 1 896 . 1 1 74 74 PHE CB C 13 37.616 0.3 . 1 . . . . 74 PHE CB . 19608 1 897 . 1 1 74 74 PHE CD1 C 13 132.431 0.3 . 1 . . . . 74 PHE CD1 . 19608 1 898 . 1 1 74 74 PHE CD2 C 13 132.431 0.3 . 1 . . . . 74 PHE CD2 . 19608 1 899 . 1 1 74 74 PHE CE1 C 13 131.609 0.3 . 1 . . . . 74 PHE CE1 . 19608 1 900 . 1 1 74 74 PHE CE2 C 13 131.609 0.3 . 1 . . . . 74 PHE CE2 . 19608 1 901 . 1 1 74 74 PHE CZ C 13 132.068 0.3 . 1 . . . . 74 PHE CZ . 19608 1 902 . 1 1 74 74 PHE N N 15 122.11 0.3 . 1 . . . . 74 PHE N . 19608 1 903 . 1 1 75 75 THR H H 1 7.599 0.02 . 1 . . . . 75 THR H . 19608 1 904 . 1 1 75 75 THR HA H 1 4.597 0.02 . 1 . . . . 75 THR HA . 19608 1 905 . 1 1 75 75 THR HB H 1 4.705 0.02 . 1 . . . . 75 THR HB . 19608 1 906 . 1 1 75 75 THR HG21 H 1 1.074 0.02 . 1 . . . . 75 THR HG2 . 19608 1 907 . 1 1 75 75 THR HG22 H 1 1.074 0.02 . 1 . . . . 75 THR HG2 . 19608 1 908 . 1 1 75 75 THR HG23 H 1 1.074 0.02 . 1 . . . . 75 THR HG2 . 19608 1 909 . 1 1 75 75 THR C C 13 177.148 0.3 . 1 . . . . 75 THR C . 19608 1 910 . 1 1 75 75 THR CA C 13 60.316 0.3 . 1 . . . . 75 THR CA . 19608 1 911 . 1 1 75 75 THR CB C 13 72.165 0.3 . 1 . . . . 75 THR CB . 19608 1 912 . 1 1 75 75 THR CG2 C 13 21.979 0.3 . 1 . . . . 75 THR CG2 . 19608 1 913 . 1 1 75 75 THR N N 15 113.781 0.3 . 1 . . . . 75 THR N . 19608 1 914 . 1 1 76 76 GLU H H 1 9.308 0.02 . 1 . . . . 76 GLU H . 19608 1 915 . 1 1 76 76 GLU HA H 1 4.146 0.02 . 1 . . . . 76 GLU HA . 19608 1 916 . 1 1 76 76 GLU HB2 H 1 2.216 0.02 . 2 . . . . 76 GLU HB2 . 19608 1 917 . 1 1 76 76 GLU HB3 H 1 2.229 0.02 . 2 . . . . 76 GLU HB3 . 19608 1 918 . 1 1 76 76 GLU HG2 H 1 2.471 0.02 . 2 . . . . 76 GLU HG2 . 19608 1 919 . 1 1 76 76 GLU HG3 H 1 2.48 0.02 . 2 . . . . 76 GLU HG3 . 19608 1 920 . 1 1 76 76 GLU C C 13 180.034 0.3 . 1 . . . . 76 GLU C . 19608 1 921 . 1 1 76 76 GLU CA C 13 60.801 0.3 . 1 . . . . 76 GLU CA . 19608 1 922 . 1 1 76 76 GLU CB C 13 29.588 0.3 . 1 . . . . 76 GLU CB . 19608 1 923 . 1 1 76 76 GLU CG C 13 36.972 0.3 . 1 . . . . 76 GLU CG . 19608 1 924 . 1 1 76 76 GLU N N 15 120.679 0.3 . 1 . . . . 76 GLU N . 19608 1 925 . 1 1 77 77 ASP H H 1 8.18 0.02 . 1 . . . . 77 ASP H . 19608 1 926 . 1 1 77 77 ASP HA H 1 4.614 0.02 . 1 . . . . 77 ASP HA . 19608 1 927 . 1 1 77 77 ASP HB2 H 1 2.786 0.02 . 2 . . . . 77 ASP HB2 . 19608 1 928 . 1 1 77 77 ASP HB3 H 1 2.578 0.02 . 2 . . . . 77 ASP HB3 . 19608 1 929 . 1 1 77 77 ASP C C 13 177.064 0.3 . 1 . . . . 77 ASP C . 19608 1 930 . 1 1 77 77 ASP CA C 13 56.782 0.3 . 1 . . . . 77 ASP CA . 19608 1 931 . 1 1 77 77 ASP CB C 13 41.437 0.3 . 1 . . . . 77 ASP CB . 19608 1 932 . 1 1 77 77 ASP N N 15 117.421 0.3 . 1 . . . . 77 ASP N . 19608 1 933 . 1 1 78 78 ALA H H 1 7.907 0.02 . 1 . . . . 78 ALA H . 19608 1 934 . 1 1 78 78 ALA HA H 1 4.351 0.02 . 1 . . . . 78 ALA HA . 19608 1 935 . 1 1 78 78 ALA HB1 H 1 1.731 0.02 . 1 . . . . 78 ALA HB . 19608 1 936 . 1 1 78 78 ALA HB2 H 1 1.731 0.02 . 1 . . . . 78 ALA HB . 19608 1 937 . 1 1 78 78 ALA HB3 H 1 1.731 0.02 . 1 . . . . 78 ALA HB . 19608 1 938 . 1 1 78 78 ALA C C 13 178.943 0.3 . 1 . . . . 78 ALA C . 19608 1 939 . 1 1 78 78 ALA CA C 13 52.778 0.3 . 1 . . . . 78 ALA CA . 19608 1 940 . 1 1 78 78 ALA CB C 13 20.552 0.3 . 1 . . . . 78 ALA CB . 19608 1 941 . 1 1 78 78 ALA N N 15 120.019 0.3 . 1 . . . . 78 ALA N . 19608 1 942 . 1 1 79 79 MET H H 1 7.593 0.02 . 1 . . . . 79 MET H . 19608 1 943 . 1 1 79 79 MET HA H 1 4.132 0.02 . 1 . . . . 79 MET HA . 19608 1 944 . 1 1 79 79 MET HB2 H 1 2.237 0.02 . 2 . . . . 79 MET HB2 . 19608 1 945 . 1 1 79 79 MET HB3 H 1 2.434 0.02 . 2 . . . . 79 MET HB3 . 19608 1 946 . 1 1 79 79 MET HG2 H 1 2.684 0.02 . 2 . . . . 79 MET HG2 . 19608 1 947 . 1 1 79 79 MET HG3 H 1 2.869 0.02 . 2 . . . . 79 MET HG3 . 19608 1 948 . 1 1 79 79 MET HE1 H 1 2.206 0.02 . 1 . . . . 79 MET HE . 19608 1 949 . 1 1 79 79 MET HE2 H 1 2.206 0.02 . 1 . . . . 79 MET HE . 19608 1 950 . 1 1 79 79 MET HE3 H 1 2.206 0.02 . 1 . . . . 79 MET HE . 19608 1 951 . 1 1 79 79 MET C C 13 178.323 0.3 . 1 . . . . 79 MET C . 19608 1 952 . 1 1 79 79 MET CA C 13 60.654 0.3 . 1 . . . . 79 MET CA . 19608 1 953 . 1 1 79 79 MET CB C 13 33.274 0.3 . 1 . . . . 79 MET CB . 19608 1 954 . 1 1 79 79 MET CG C 13 32.994 0.3 . 1 . . . . 79 MET CG . 19608 1 955 . 1 1 79 79 MET CE C 13 17.891 0.3 . 1 . . . . 79 MET CE . 19608 1 956 . 1 1 79 79 MET N N 15 118.743 0.3 . 1 . . . . 79 MET N . 19608 1 957 . 1 1 80 80 VAL H H 1 9.083 0.02 . 1 . . . . 80 VAL H . 19608 1 958 . 1 1 80 80 VAL HA H 1 4.192 0.02 . 1 . . . . 80 VAL HA . 19608 1 959 . 1 1 80 80 VAL HB H 1 2.526 0.02 . 1 . . . . 80 VAL HB . 19608 1 960 . 1 1 80 80 VAL HG11 H 1 1.067 0.02 . 1 . . . . 80 VAL HG1 . 19608 1 961 . 1 1 80 80 VAL HG12 H 1 1.067 0.02 . 1 . . . . 80 VAL HG1 . 19608 1 962 . 1 1 80 80 VAL HG13 H 1 1.067 0.02 . 1 . . . . 80 VAL HG1 . 19608 1 963 . 1 1 80 80 VAL HG21 H 1 1.214 0.02 . 1 . . . . 80 VAL HG2 . 19608 1 964 . 1 1 80 80 VAL HG22 H 1 1.214 0.02 . 1 . . . . 80 VAL HG2 . 19608 1 965 . 1 1 80 80 VAL HG23 H 1 1.214 0.02 . 1 . . . . 80 VAL HG2 . 19608 1 966 . 1 1 80 80 VAL C C 13 180.898 0.3 . 1 . . . . 80 VAL C . 19608 1 967 . 1 1 80 80 VAL CA C 13 68.785 0.3 . 1 . . . . 80 VAL CA . 19608 1 968 . 1 1 80 80 VAL CB C 13 29.412 0.3 . 1 . . . . 80 VAL CB . 19608 1 969 . 1 1 80 80 VAL CG1 C 13 22.102 0.3 . 1 . . . . 80 VAL CG1 . 19608 1 970 . 1 1 80 80 VAL CG2 C 13 23.974 0.3 . 1 . . . . 80 VAL CG2 . 19608 1 971 . 1 1 80 80 VAL N N 15 115.536 0.3 . 1 . . . . 80 VAL N . 19608 1 972 . 1 1 81 81 PRO HA H 1 4.616 0.02 . 1 . . . . 81 PRO HA . 19608 1 973 . 1 1 81 81 PRO HB2 H 1 2.371 0.02 . 2 . . . . 81 PRO HB2 . 19608 1 974 . 1 1 81 81 PRO HB3 H 1 2.398 0.02 . 2 . . . . 81 PRO HB3 . 19608 1 975 . 1 1 81 81 PRO HG2 H 1 1.935 0.02 . 2 . . . . 81 PRO HG2 . 19608 1 976 . 1 1 81 81 PRO HG3 H 1 1.983 0.02 . 2 . . . . 81 PRO HG3 . 19608 1 977 . 1 1 81 81 PRO HD2 H 1 4.082 0.02 . 2 . . . . 81 PRO HD2 . 19608 1 978 . 1 1 81 81 PRO HD3 H 1 3.807 0.02 . 2 . . . . 81 PRO HD3 . 19608 1 979 . 1 1 81 81 PRO C C 13 180.989 0.3 . 1 . . . . 81 PRO C . 19608 1 980 . 1 1 81 81 PRO CA C 13 67.389 0.3 . 1 . . . . 81 PRO CA . 19608 1 981 . 1 1 81 81 PRO CB C 13 32.2 0.3 . 1 . . . . 81 PRO CB . 19608 1 982 . 1 1 81 81 PRO CG C 13 27.475 0.3 . 1 . . . . 81 PRO CG . 19608 1 983 . 1 1 81 81 PRO CD C 13 49.606 0.3 . 1 . . . . 81 PRO CD . 19608 1 984 . 1 1 82 82 LEU H H 1 8.718 0.02 . 1 . . . . 82 LEU H . 19608 1 985 . 1 1 82 82 LEU HA H 1 5.215 0.02 . 1 . . . . 82 LEU HA . 19608 1 986 . 1 1 82 82 LEU HB2 H 1 1.712 0.02 . 2 . . . . 82 LEU HB2 . 19608 1 987 . 1 1 82 82 LEU HB3 H 1 2.37 0.02 . 2 . . . . 82 LEU HB3 . 19608 1 988 . 1 1 82 82 LEU HG H 1 1.84 0.02 . 1 . . . . 82 LEU HG . 19608 1 989 . 1 1 82 82 LEU HD11 H 1 1.109 0.02 . 1 . . . . 82 LEU HD1 . 19608 1 990 . 1 1 82 82 LEU HD12 H 1 1.109 0.02 . 1 . . . . 82 LEU HD1 . 19608 1 991 . 1 1 82 82 LEU HD13 H 1 1.109 0.02 . 1 . . . . 82 LEU HD1 . 19608 1 992 . 1 1 82 82 LEU HD21 H 1 1.022 0.02 . 1 . . . . 82 LEU HD2 . 19608 1 993 . 1 1 82 82 LEU HD22 H 1 1.022 0.02 . 1 . . . . 82 LEU HD2 . 19608 1 994 . 1 1 82 82 LEU HD23 H 1 1.022 0.02 . 1 . . . . 82 LEU HD2 . 19608 1 995 . 1 1 82 82 LEU C C 13 180.268 0.3 . 1 . . . . 82 LEU C . 19608 1 996 . 1 1 82 82 LEU CA C 13 56.786 0.3 . 1 . . . . 82 LEU CA . 19608 1 997 . 1 1 82 82 LEU CB C 13 41.497 0.3 . 1 . . . . 82 LEU CB . 19608 1 998 . 1 1 82 82 LEU CG C 13 28.064 0.3 . 1 . . . . 82 LEU CG . 19608 1 999 . 1 1 82 82 LEU CD1 C 13 26.043 0.3 . 1 . . . . 82 LEU CD1 . 19608 1 1000 . 1 1 82 82 LEU CD2 C 13 22.605 0.3 . 1 . . . . 82 LEU CD2 . 19608 1 1001 . 1 1 82 82 LEU N N 15 114.633 0.3 . 1 . . . . 82 LEU N . 19608 1 1002 . 1 1 83 83 GLY H H 1 8.548 0.02 . 1 . . . . 83 GLY H . 19608 1 1003 . 1 1 83 83 GLY HA2 H 1 4.424 0.02 . 2 . . . . 83 GLY HA2 . 19608 1 1004 . 1 1 83 83 GLY HA3 H 1 3.991 0.02 . 2 . . . . 83 GLY HA3 . 19608 1 1005 . 1 1 83 83 GLY C C 13 176.641 0.3 . 1 . . . . 83 GLY C . 19608 1 1006 . 1 1 83 83 GLY CA C 13 48.196 0.3 . 1 . . . . 83 GLY CA . 19608 1 1007 . 1 1 83 83 GLY N N 15 117.569 0.3 . 1 . . . . 83 GLY N . 19608 1 1008 . 1 1 84 84 LEU H H 1 8.748 0.02 . 1 . . . . 84 LEU H . 19608 1 1009 . 1 1 84 84 LEU HA H 1 4.173 0.02 . 1 . . . . 84 LEU HA . 19608 1 1010 . 1 1 84 84 LEU HB2 H 1 1.702 0.02 . 2 . . . . 84 LEU HB2 . 19608 1 1011 . 1 1 84 84 LEU HB3 H 1 1.982 0.02 . 2 . . . . 84 LEU HB3 . 19608 1 1012 . 1 1 84 84 LEU HG H 1 1.927 0.02 . 1 . . . . 84 LEU HG . 19608 1 1013 . 1 1 84 84 LEU HD11 H 1 0.903 0.02 . 1 . . . . 84 LEU HD1 . 19608 1 1014 . 1 1 84 84 LEU HD12 H 1 0.903 0.02 . 1 . . . . 84 LEU HD1 . 19608 1 1015 . 1 1 84 84 LEU HD13 H 1 0.903 0.02 . 1 . . . . 84 LEU HD1 . 19608 1 1016 . 1 1 84 84 LEU HD21 H 1 0.878 0.02 . 1 . . . . 84 LEU HD2 . 19608 1 1017 . 1 1 84 84 LEU HD22 H 1 0.878 0.02 . 1 . . . . 84 LEU HD2 . 19608 1 1018 . 1 1 84 84 LEU HD23 H 1 0.878 0.02 . 1 . . . . 84 LEU HD2 . 19608 1 1019 . 1 1 84 84 LEU C C 13 178.52 0.3 . 1 . . . . 84 LEU C . 19608 1 1020 . 1 1 84 84 LEU CA C 13 59.02 0.3 . 1 . . . . 84 LEU CA . 19608 1 1021 . 1 1 84 84 LEU CB C 13 42.056 0.3 . 1 . . . . 84 LEU CB . 19608 1 1022 . 1 1 84 84 LEU CG C 13 27.619 0.3 . 1 . . . . 84 LEU CG . 19608 1 1023 . 1 1 84 84 LEU CD1 C 13 24.129 0.3 . 1 . . . . 84 LEU CD1 . 19608 1 1024 . 1 1 84 84 LEU CD2 C 13 27.362 0.3 . 1 . . . . 84 LEU CD2 . 19608 1 1025 . 1 1 84 84 LEU N N 15 122.314 0.3 . 1 . . . . 84 LEU N . 19608 1 1026 . 1 1 85 85 TYR H H 1 6.924 0.02 . 1 . . . . 85 TYR H . 19608 1 1027 . 1 1 85 85 TYR HA H 1 4.284 0.02 . 1 . . . . 85 TYR HA . 19608 1 1028 . 1 1 85 85 TYR HB2 H 1 4.324 0.02 . 2 . . . . 85 TYR HB2 . 19608 1 1029 . 1 1 85 85 TYR HB3 H 1 3.632 0.02 . 2 . . . . 85 TYR HB3 . 19608 1 1030 . 1 1 85 85 TYR HD1 H 1 7.117 0.02 . 1 . . . . 85 TYR HD1 . 19608 1 1031 . 1 1 85 85 TYR HD2 H 1 7.117 0.02 . 1 . . . . 85 TYR HD2 . 19608 1 1032 . 1 1 85 85 TYR HE1 H 1 6.788 0.02 . 1 . . . . 85 TYR HE1 . 19608 1 1033 . 1 1 85 85 TYR HE2 H 1 6.788 0.02 . 1 . . . . 85 TYR HE2 . 19608 1 1034 . 1 1 85 85 TYR C C 13 177.721 0.3 . 1 . . . . 85 TYR C . 19608 1 1035 . 1 1 85 85 TYR CA C 13 61.605 0.3 . 1 . . . . 85 TYR CA . 19608 1 1036 . 1 1 85 85 TYR CB C 13 39.56 0.3 . 1 . . . . 85 TYR CB . 19608 1 1037 . 1 1 85 85 TYR CD1 C 13 132.57 0.3 . 1 . . . . 85 TYR CD1 . 19608 1 1038 . 1 1 85 85 TYR CD2 C 13 132.57 0.3 . 1 . . . . 85 TYR CD2 . 19608 1 1039 . 1 1 85 85 TYR CE1 C 13 118.349 0.3 . 1 . . . . 85 TYR CE1 . 19608 1 1040 . 1 1 85 85 TYR CE2 C 13 118.349 0.3 . 1 . . . . 85 TYR CE2 . 19608 1 1041 . 1 1 85 85 TYR N N 15 116.124 0.3 . 1 . . . . 85 TYR N . 19608 1 1042 . 1 1 86 86 THR H H 1 8.423 0.02 . 1 . . . . 86 THR H . 19608 1 1043 . 1 1 86 86 THR HA H 1 4.416 0.02 . 1 . . . . 86 THR HA . 19608 1 1044 . 1 1 86 86 THR HB H 1 4.415 0.02 . 1 . . . . 86 THR HB . 19608 1 1045 . 1 1 86 86 THR HG21 H 1 1.172 0.02 . 1 . . . . 86 THR HG2 . 19608 1 1046 . 1 1 86 86 THR HG22 H 1 1.172 0.02 . 1 . . . . 86 THR HG2 . 19608 1 1047 . 1 1 86 86 THR HG23 H 1 1.172 0.02 . 1 . . . . 86 THR HG2 . 19608 1 1048 . 1 1 86 86 THR C C 13 176.584 0.3 . 1 . . . . 86 THR C . 19608 1 1049 . 1 1 86 86 THR CA C 13 68.018 0.3 . 1 . . . . 86 THR CA . 19608 1 1050 . 1 1 86 86 THR CB C 13 67.78 0.3 . 1 . . . . 86 THR CB . 19608 1 1051 . 1 1 86 86 THR CG2 C 13 22.073 0.3 . 1 . . . . 86 THR CG2 . 19608 1 1052 . 1 1 86 86 THR N N 15 117.896 0.3 . 1 . . . . 86 THR N . 19608 1 1053 . 1 1 87 87 GLY H H 1 8.61 0.02 . 1 . . . . 87 GLY H . 19608 1 1054 . 1 1 87 87 GLY HA2 H 1 3.551 0.02 . 2 . . . . 87 GLY HA2 . 19608 1 1055 . 1 1 87 87 GLY HA3 H 1 3.727 0.02 . 2 . . . . 87 GLY HA3 . 19608 1 1056 . 1 1 87 87 GLY C C 13 175.156 0.3 . 1 . . . . 87 GLY C . 19608 1 1057 . 1 1 87 87 GLY CA C 13 47.875 0.3 . 1 . . . . 87 GLY CA . 19608 1 1058 . 1 1 87 87 GLY N N 15 108.289 0.3 . 1 . . . . 87 GLY N . 19608 1 1059 . 1 1 88 88 GLN H H 1 8.454 0.02 . 1 . . . . 88 GLN H . 19608 1 1060 . 1 1 88 88 GLN HA H 1 4.23 0.02 . 1 . . . . 88 GLN HA . 19608 1 1061 . 1 1 88 88 GLN HB2 H 1 2.252 0.02 . 2 . . . . 88 GLN HB2 . 19608 1 1062 . 1 1 88 88 GLN HB3 H 1 2.075 0.02 . 2 . . . . 88 GLN HB3 . 19608 1 1063 . 1 1 88 88 GLN HG2 H 1 2.381 0.02 . 2 . . . . 88 GLN HG2 . 19608 1 1064 . 1 1 88 88 GLN HG3 H 1 2.394 0.02 . 2 . . . . 88 GLN HG3 . 19608 1 1065 . 1 1 88 88 GLN HE21 H 1 6.841 0.02 . 1 . . . . 88 GLN HE21 . 19608 1 1066 . 1 1 88 88 GLN HE22 H 1 7.474 0.02 . 1 . . . . 88 GLN HE22 . 19608 1 1067 . 1 1 88 88 GLN C C 13 176.49 0.3 . 1 . . . . 88 GLN C . 19608 1 1068 . 1 1 88 88 GLN CA C 13 58.703 0.3 . 1 . . . . 88 GLN CA . 19608 1 1069 . 1 1 88 88 GLN CB C 13 29.084 0.3 . 1 . . . . 88 GLN CB . 19608 1 1070 . 1 1 88 88 GLN CG C 13 34.334 0.3 . 1 . . . . 88 GLN CG . 19608 1 1071 . 1 1 88 88 GLN N N 15 118.114 0.3 . 1 . . . . 88 GLN N . 19608 1 1072 . 1 1 88 88 GLN NE2 N 15 112.41 0.3 . 1 . . . . 88 GLN NE2 . 19608 1 1073 . 1 1 89 89 LEU H H 1 7.648 0.02 . 1 . . . . 89 LEU H . 19608 1 1074 . 1 1 89 89 LEU HA H 1 3.534 0.02 . 1 . . . . 89 LEU HA . 19608 1 1075 . 1 1 89 89 LEU HB2 H 1 0.819 0.02 . 2 . . . . 89 LEU HB2 . 19608 1 1076 . 1 1 89 89 LEU HB3 H 1 1.23 0.02 . 2 . . . . 89 LEU HB3 . 19608 1 1077 . 1 1 89 89 LEU HG H 1 0.146 0.02 . 1 . . . . 89 LEU HG . 19608 1 1078 . 1 1 89 89 LEU HD11 H 1 0.796 0.02 . 1 . . . . 89 LEU HD1 . 19608 1 1079 . 1 1 89 89 LEU HD12 H 1 0.796 0.02 . 1 . . . . 89 LEU HD1 . 19608 1 1080 . 1 1 89 89 LEU HD13 H 1 0.796 0.02 . 1 . . . . 89 LEU HD1 . 19608 1 1081 . 1 1 89 89 LEU HD21 H 1 0.54 0.02 . 1 . . . . 89 LEU HD2 . 19608 1 1082 . 1 1 89 89 LEU HD22 H 1 0.54 0.02 . 1 . . . . 89 LEU HD2 . 19608 1 1083 . 1 1 89 89 LEU HD23 H 1 0.54 0.02 . 1 . . . . 89 LEU HD2 . 19608 1 1084 . 1 1 89 89 LEU C C 13 177.656 0.3 . 1 . . . . 89 LEU C . 19608 1 1085 . 1 1 89 89 LEU CA C 13 57.768 0.3 . 1 . . . . 89 LEU CA . 19608 1 1086 . 1 1 89 89 LEU CB C 13 41.936 0.3 . 1 . . . . 89 LEU CB . 19608 1 1087 . 1 1 89 89 LEU CG C 13 25.707 0.3 . 1 . . . . 89 LEU CG . 19608 1 1088 . 1 1 89 89 LEU CD1 C 13 24.081 0.3 . 1 . . . . 89 LEU CD1 . 19608 1 1089 . 1 1 89 89 LEU CD2 C 13 25.493 0.3 . 1 . . . . 89 LEU CD2 . 19608 1 1090 . 1 1 89 89 LEU N N 15 123.788 0.3 . 1 . . . . 89 LEU N . 19608 1 1091 . 1 1 90 90 ALA H H 1 7.894 0.02 . 1 . . . . 90 ALA H . 19608 1 1092 . 1 1 90 90 ALA HA H 1 3.793 0.02 . 1 . . . . 90 ALA HA . 19608 1 1093 . 1 1 90 90 ALA HB1 H 1 1.403 0.02 . 1 . . . . 90 ALA HB . 19608 1 1094 . 1 1 90 90 ALA HB2 H 1 1.403 0.02 . 1 . . . . 90 ALA HB . 19608 1 1095 . 1 1 90 90 ALA HB3 H 1 1.403 0.02 . 1 . . . . 90 ALA HB . 19608 1 1096 . 1 1 90 90 ALA C C 13 179.451 0.3 . 1 . . . . 90 ALA C . 19608 1 1097 . 1 1 90 90 ALA CA C 13 55.65 0.3 . 1 . . . . 90 ALA CA . 19608 1 1098 . 1 1 90 90 ALA CB C 13 17.896 0.3 . 1 . . . . 90 ALA CB . 19608 1 1099 . 1 1 90 90 ALA N N 15 119.646 0.3 . 1 . . . . 90 ALA N . 19608 1 1100 . 1 1 91 91 LEU H H 1 7.516 0.02 . 1 . . . . 91 LEU H . 19608 1 1101 . 1 1 91 91 LEU HA H 1 4.243 0.02 . 1 . . . . 91 LEU HA . 19608 1 1102 . 1 1 91 91 LEU HB2 H 1 1.966 0.02 . 2 . . . . 91 LEU HB2 . 19608 1 1103 . 1 1 91 91 LEU HB3 H 1 2.209 0.02 . 2 . . . . 91 LEU HB3 . 19608 1 1104 . 1 1 91 91 LEU HG H 1 1.716 0.02 . 1 . . . . 91 LEU HG . 19608 1 1105 . 1 1 91 91 LEU HD11 H 1 0.813 0.02 . 1 . . . . 91 LEU HD1 . 19608 1 1106 . 1 1 91 91 LEU HD12 H 1 0.813 0.02 . 1 . . . . 91 LEU HD1 . 19608 1 1107 . 1 1 91 91 LEU HD13 H 1 0.813 0.02 . 1 . . . . 91 LEU HD1 . 19608 1 1108 . 1 1 91 91 LEU HD21 H 1 0.955 0.02 . 1 . . . . 91 LEU HD2 . 19608 1 1109 . 1 1 91 91 LEU HD22 H 1 0.955 0.02 . 1 . . . . 91 LEU HD2 . 19608 1 1110 . 1 1 91 91 LEU HD23 H 1 0.955 0.02 . 1 . . . . 91 LEU HD2 . 19608 1 1111 . 1 1 91 91 LEU C C 13 180.983 0.3 . 1 . . . . 91 LEU C . 19608 1 1112 . 1 1 91 91 LEU CA C 13 57.97 0.3 . 1 . . . . 91 LEU CA . 19608 1 1113 . 1 1 91 91 LEU CB C 13 42.159 0.3 . 1 . . . . 91 LEU CB . 19608 1 1114 . 1 1 91 91 LEU CG C 13 27.458 0.3 . 1 . . . . 91 LEU CG . 19608 1 1115 . 1 1 91 91 LEU CD1 C 13 26.462 0.3 . 1 . . . . 91 LEU CD1 . 19608 1 1116 . 1 1 91 91 LEU CD2 C 13 22.168 0.3 . 1 . . . . 91 LEU CD2 . 19608 1 1117 . 1 1 91 91 LEU N N 15 114.234 0.3 . 1 . . . . 91 LEU N . 19608 1 1118 . 1 1 92 92 ASN H H 1 8.837 0.02 . 1 . . . . 92 ASN H . 19608 1 1119 . 1 1 92 92 ASN HA H 1 4.533 0.02 . 1 . . . . 92 ASN HA . 19608 1 1120 . 1 1 92 92 ASN HB2 H 1 2.873 0.02 . 2 . . . . 92 ASN HB2 . 19608 1 1121 . 1 1 92 92 ASN HB3 H 1 2.893 0.02 . 2 . . . . 92 ASN HB3 . 19608 1 1122 . 1 1 92 92 ASN HD21 H 1 7.65 0.02 . 1 . . . . 92 ASN HD21 . 19608 1 1123 . 1 1 92 92 ASN HD22 H 1 6.935 0.02 . 1 . . . . 92 ASN HD22 . 19608 1 1124 . 1 1 92 92 ASN C C 13 177.778 0.3 . 1 . . . . 92 ASN C . 19608 1 1125 . 1 1 92 92 ASN CA C 13 58.989 0.3 . 1 . . . . 92 ASN CA . 19608 1 1126 . 1 1 92 92 ASN CB C 13 39.327 0.3 . 1 . . . . 92 ASN CB . 19608 1 1127 . 1 1 92 92 ASN N N 15 124.548 0.3 . 1 . . . . 92 ASN N . 19608 1 1128 . 1 1 92 92 ASN ND2 N 15 112.751 0.3 . 1 . . . . 92 ASN ND2 . 19608 1 1129 . 1 1 93 93 TRP H H 1 9.031 0.02 . 1 . . . . 93 TRP H . 19608 1 1130 . 1 1 93 93 TRP HA H 1 4.831 0.02 . 1 . . . . 93 TRP HA . 19608 1 1131 . 1 1 93 93 TRP HB2 H 1 3.142 0.02 . 2 . . . . 93 TRP HB2 . 19608 1 1132 . 1 1 93 93 TRP HB3 H 1 3.69 0.02 . 2 . . . . 93 TRP HB3 . 19608 1 1133 . 1 1 93 93 TRP HD1 H 1 7.564 0.02 . 1 . . . . 93 TRP HD1 . 19608 1 1134 . 1 1 93 93 TRP HE1 H 1 9.436 0.02 . 1 . . . . 93 TRP HE1 . 19608 1 1135 . 1 1 93 93 TRP HZ2 H 1 6.41 0.02 . 1 . . . . 93 TRP HZ2 . 19608 1 1136 . 1 1 93 93 TRP C C 13 178.436 0.3 . 1 . . . . 93 TRP C . 19608 1 1137 . 1 1 93 93 TRP CA C 13 57.386 0.3 . 1 . . . . 93 TRP CA . 19608 1 1138 . 1 1 93 93 TRP CB C 13 29.707 0.3 . 1 . . . . 93 TRP CB . 19608 1 1139 . 1 1 93 93 TRP CD1 C 13 127.113 0.3 . 1 . . . . 93 TRP CD1 . 19608 1 1140 . 1 1 93 93 TRP CZ2 C 13 114 0.3 . 1 . . . . 93 TRP CZ2 . 19608 1 1141 . 1 1 93 93 TRP N N 15 119.637 0.3 . 1 . . . . 93 TRP N . 19608 1 1142 . 1 1 93 93 TRP NE1 N 15 107.728 0.3 . 1 . . . . 93 TRP NE1 . 19608 1 1143 . 1 1 94 94 ALA H H 1 7.93 0.02 . 1 . . . . 94 ALA H . 19608 1 1144 . 1 1 94 94 ALA HA H 1 4.154 0.02 . 1 . . . . 94 ALA HA . 19608 1 1145 . 1 1 94 94 ALA HB1 H 1 1.606 0.02 . 1 . . . . 94 ALA HB . 19608 1 1146 . 1 1 94 94 ALA HB2 H 1 1.606 0.02 . 1 . . . . 94 ALA HB . 19608 1 1147 . 1 1 94 94 ALA HB3 H 1 1.606 0.02 . 1 . . . . 94 ALA HB . 19608 1 1148 . 1 1 94 94 ALA C C 13 178.069 0.3 . 1 . . . . 94 ALA C . 19608 1 1149 . 1 1 94 94 ALA CA C 13 53.618 0.3 . 1 . . . . 94 ALA CA . 19608 1 1150 . 1 1 94 94 ALA CB C 13 18.819 0.3 . 1 . . . . 94 ALA CB . 19608 1 1151 . 1 1 94 94 ALA N N 15 116.478 0.3 . 1 . . . . 94 ALA N . 19608 1 1152 . 1 1 95 95 TRP H H 1 8.221 0.02 . 1 . . . . 95 TRP H . 19608 1 1153 . 1 1 95 95 TRP HA H 1 4.109 0.02 . 1 . . . . 95 TRP HA . 19608 1 1154 . 1 1 95 95 TRP HB2 H 1 3.248 0.02 . 2 . . . . 95 TRP HB2 . 19608 1 1155 . 1 1 95 95 TRP HB3 H 1 3.434 0.02 . 2 . . . . 95 TRP HB3 . 19608 1 1156 . 1 1 95 95 TRP HD1 H 1 7.291 0.02 . 1 . . . . 95 TRP HD1 . 19608 1 1157 . 1 1 95 95 TRP HE1 H 1 9.713 0.02 . 1 . . . . 95 TRP HE1 . 19608 1 1158 . 1 1 95 95 TRP HZ2 H 1 8.028 0.02 . 1 . . . . 95 TRP HZ2 . 19608 1 1159 . 1 1 95 95 TRP CA C 13 65.892 0.3 . 1 . . . . 95 TRP CA . 19608 1 1160 . 1 1 95 95 TRP CB C 13 28.741 0.3 . 1 . . . . 95 TRP CB . 19608 1 1161 . 1 1 95 95 TRP CD1 C 13 126.472 0.3 . 1 . . . . 95 TRP CD1 . 19608 1 1162 . 1 1 95 95 TRP CZ2 C 13 114.691 0.3 . 1 . . . . 95 TRP CZ2 . 19608 1 1163 . 1 1 95 95 TRP N N 15 118.64 0.3 . 1 . . . . 95 TRP N . 19608 1 1164 . 1 1 95 95 TRP NE1 N 15 125.008 0.3 . 1 . . . . 95 TRP NE1 . 19608 1 1165 . 1 1 97 97 PRO HA H 1 4.599 0.02 . 1 . . . . 97 PRO HA . 19608 1 1166 . 1 1 97 97 PRO HB2 H 1 2.383 0.02 . 2 . . . . 97 PRO HB2 . 19608 1 1167 . 1 1 97 97 PRO HB3 H 1 2.034 0.02 . 2 . . . . 97 PRO HB3 . 19608 1 1168 . 1 1 97 97 PRO HG2 H 1 2.109 0.02 . 2 . . . . 97 PRO HG2 . 19608 1 1169 . 1 1 97 97 PRO HG3 H 1 1.758 0.02 . 2 . . . . 97 PRO HG3 . 19608 1 1170 . 1 1 97 97 PRO HD2 H 1 4.084 0.02 . 2 . . . . 97 PRO HD2 . 19608 1 1171 . 1 1 97 97 PRO HD3 H 1 3.618 0.02 . 2 . . . . 97 PRO HD3 . 19608 1 1172 . 1 1 97 97 PRO C C 13 178.52 0.3 . 1 . . . . 97 PRO C . 19608 1 1173 . 1 1 97 97 PRO CA C 13 67.493 0.3 . 1 . . . . 97 PRO CA . 19608 1 1174 . 1 1 97 97 PRO CB C 13 32.082 0.3 . 1 . . . . 97 PRO CB . 19608 1 1175 . 1 1 97 97 PRO CG C 13 28.076 0.3 . 1 . . . . 97 PRO CG . 19608 1 1176 . 1 1 97 97 PRO CD C 13 50.359 0.3 . 1 . . . . 97 PRO CD . 19608 1 1177 . 1 1 98 98 ILE H H 1 7.512 0.02 . 1 . . . . 98 ILE H . 19608 1 1178 . 1 1 98 98 ILE HA H 1 3.414 0.02 . 1 . . . . 98 ILE HA . 19608 1 1179 . 1 1 98 98 ILE HB H 1 1.671 0.02 . 1 . . . . 98 ILE HB . 19608 1 1180 . 1 1 98 98 ILE HG12 H 1 0.67 0.02 . 2 . . . . 98 ILE HG12 . 19608 1 1181 . 1 1 98 98 ILE HG13 H 1 2.221 0.02 . 2 . . . . 98 ILE HG13 . 19608 1 1182 . 1 1 98 98 ILE HG21 H 1 0.917 0.02 . 1 . . . . 98 ILE HG2 . 19608 1 1183 . 1 1 98 98 ILE HG22 H 1 0.917 0.02 . 1 . . . . 98 ILE HG2 . 19608 1 1184 . 1 1 98 98 ILE HG23 H 1 0.917 0.02 . 1 . . . . 98 ILE HG2 . 19608 1 1185 . 1 1 98 98 ILE HD11 H 1 0.812 0.02 . 1 . . . . 98 ILE HD1 . 19608 1 1186 . 1 1 98 98 ILE HD12 H 1 0.812 0.02 . 1 . . . . 98 ILE HD1 . 19608 1 1187 . 1 1 98 98 ILE HD13 H 1 0.812 0.02 . 1 . . . . 98 ILE HD1 . 19608 1 1188 . 1 1 98 98 ILE C C 13 176.612 0.3 . 1 . . . . 98 ILE C . 19608 1 1189 . 1 1 98 98 ILE CA C 13 66.602 0.3 . 1 . . . . 98 ILE CA . 19608 1 1190 . 1 1 98 98 ILE CB C 13 39.543 0.3 . 1 . . . . 98 ILE CB . 19608 1 1191 . 1 1 98 98 ILE CG1 C 13 29.691 0.3 . 1 . . . . 98 ILE CG1 . 19608 1 1192 . 1 1 98 98 ILE CG2 C 13 19.366 0.3 . 1 . . . . 98 ILE CG2 . 19608 1 1193 . 1 1 98 98 ILE CD1 C 13 14.538 0.3 . 1 . . . . 98 ILE CD1 . 19608 1 1194 . 1 1 98 98 ILE N N 15 118.07 0.3 . 1 . . . . 98 ILE N . 19608 1 1195 . 1 1 99 99 PHE H H 1 8.361 0.02 . 1 . . . . 99 PHE H . 19608 1 1196 . 1 1 99 99 PHE HA H 1 4.583 0.02 . 1 . . . . 99 PHE HA . 19608 1 1197 . 1 1 99 99 PHE HB2 H 1 3.135 0.02 . 2 . . . . 99 PHE HB2 . 19608 1 1198 . 1 1 99 99 PHE HB3 H 1 3.273 0.02 . 2 . . . . 99 PHE HB3 . 19608 1 1199 . 1 1 99 99 PHE HD1 H 1 7.308 0.02 . 1 . . . . 99 PHE HD1 . 19608 1 1200 . 1 1 99 99 PHE HD2 H 1 7.308 0.02 . 1 . . . . 99 PHE HD2 . 19608 1 1201 . 1 1 99 99 PHE HE1 H 1 7.294 0.02 . 1 . . . . 99 PHE HE1 . 19608 1 1202 . 1 1 99 99 PHE HE2 H 1 7.294 0.02 . 1 . . . . 99 PHE HE2 . 19608 1 1203 . 1 1 99 99 PHE HZ H 1 7.191 0.02 . 1 . . . . 99 PHE HZ . 19608 1 1204 . 1 1 99 99 PHE C C 13 175.297 0.3 . 1 . . . . 99 PHE C . 19608 1 1205 . 1 1 99 99 PHE CA C 13 59.29 0.3 . 1 . . . . 99 PHE CA . 19608 1 1206 . 1 1 99 99 PHE CB C 13 39.654 0.3 . 1 . . . . 99 PHE CB . 19608 1 1207 . 1 1 99 99 PHE CD1 C 13 132.02 0.3 . 1 . . . . 99 PHE CD1 . 19608 1 1208 . 1 1 99 99 PHE CD2 C 13 132.02 0.3 . 1 . . . . 99 PHE CD2 . 19608 1 1209 . 1 1 99 99 PHE CE1 C 13 131.377 0.3 . 1 . . . . 99 PHE CE1 . 19608 1 1210 . 1 1 99 99 PHE CE2 C 13 131.377 0.3 . 1 . . . . 99 PHE CE2 . 19608 1 1211 . 1 1 99 99 PHE CZ C 13 129.763 0.3 . 1 . . . . 99 PHE CZ . 19608 1 1212 . 1 1 99 99 PHE N N 15 118.785 0.3 . 1 . . . . 99 PHE N . 19608 1 1213 . 1 1 100 100 PHE H H 1 8.569 0.02 . 1 . . . . 100 PHE H . 19608 1 1214 . 1 1 100 100 PHE HA H 1 4.286 0.02 . 1 . . . . 100 PHE HA . 19608 1 1215 . 1 1 100 100 PHE HB2 H 1 2.921 0.02 . 2 . . . . 100 PHE HB2 . 19608 1 1216 . 1 1 100 100 PHE HB3 H 1 3.255 0.02 . 2 . . . . 100 PHE HB3 . 19608 1 1217 . 1 1 100 100 PHE HD1 H 1 7.305 0.02 . 1 . . . . 100 PHE HD1 . 19608 1 1218 . 1 1 100 100 PHE HD2 H 1 7.305 0.02 . 1 . . . . 100 PHE HD2 . 19608 1 1219 . 1 1 100 100 PHE HE1 H 1 7.206 0.02 . 1 . . . . 100 PHE HE1 . 19608 1 1220 . 1 1 100 100 PHE HE2 H 1 7.206 0.02 . 1 . . . . 100 PHE HE2 . 19608 1 1221 . 1 1 100 100 PHE HZ H 1 7.305 0.02 . 1 . . . . 100 PHE HZ . 19608 1 1222 . 1 1 100 100 PHE C C 13 178.285 0.3 . 1 . . . . 100 PHE C . 19608 1 1223 . 1 1 100 100 PHE CA C 13 61.237 0.3 . 1 . . . . 100 PHE CA . 19608 1 1224 . 1 1 100 100 PHE CB C 13 39.41 0.3 . 1 . . . . 100 PHE CB . 19608 1 1225 . 1 1 100 100 PHE CD1 C 13 131.498 0.3 . 1 . . . . 100 PHE CD1 . 19608 1 1226 . 1 1 100 100 PHE CD2 C 13 131.498 0.3 . 1 . . . . 100 PHE CD2 . 19608 1 1227 . 1 1 100 100 PHE CE1 C 13 131.03 0.3 . 1 . . . . 100 PHE CE1 . 19608 1 1228 . 1 1 100 100 PHE CE2 C 13 131.03 0.3 . 1 . . . . 100 PHE CE2 . 19608 1 1229 . 1 1 100 100 PHE CZ C 13 129.5 0.3 . 1 . . . . 100 PHE CZ . 19608 1 1230 . 1 1 100 100 PHE N N 15 110.962 0.3 . 1 . . . . 100 PHE N . 19608 1 1231 . 1 1 101 101 GLY H H 1 7.488 0.02 . 1 . . . . 101 GLY H . 19608 1 1232 . 1 1 101 101 GLY HA2 H 1 3.872 0.02 . 2 . . . . 101 GLY HA2 . 19608 1 1233 . 1 1 101 101 GLY HA3 H 1 4.202 0.02 . 2 . . . . 101 GLY HA3 . 19608 1 1234 . 1 1 101 101 GLY C C 13 175.005 0.3 . 1 . . . . 101 GLY C . 19608 1 1235 . 1 1 101 101 GLY CA C 13 47.562 0.3 . 1 . . . . 101 GLY CA . 19608 1 1236 . 1 1 101 101 GLY N N 15 107.139 0.3 . 1 . . . . 101 GLY N . 19608 1 1237 . 1 1 102 102 ALA H H 1 7.934 0.02 . 1 . . . . 102 ALA H . 19608 1 1238 . 1 1 102 102 ALA HA H 1 4.283 0.02 . 1 . . . . 102 ALA HA . 19608 1 1239 . 1 1 102 102 ALA HB1 H 1 1.506 0.02 . 1 . . . . 102 ALA HB . 19608 1 1240 . 1 1 102 102 ALA HB2 H 1 1.506 0.02 . 1 . . . . 102 ALA HB . 19608 1 1241 . 1 1 102 102 ALA HB3 H 1 1.506 0.02 . 1 . . . . 102 ALA HB . 19608 1 1242 . 1 1 102 102 ALA C C 13 177.43 0.3 . 1 . . . . 102 ALA C . 19608 1 1243 . 1 1 102 102 ALA CA C 13 52.014 0.3 . 1 . . . . 102 ALA CA . 19608 1 1244 . 1 1 102 102 ALA CB C 13 18.578 0.3 . 1 . . . . 102 ALA CB . 19608 1 1245 . 1 1 102 102 ALA N N 15 120.954 0.3 . 1 . . . . 102 ALA N . 19608 1 1246 . 1 1 103 103 ARG H H 1 6.525 0.02 . 1 . . . . 103 ARG H . 19608 1 1247 . 1 1 103 103 ARG HA H 1 3.899 0.02 . 1 . . . . 103 ARG HA . 19608 1 1248 . 1 1 103 103 ARG HB2 H 1 1.481 0.02 . 2 . . . . 103 ARG HB2 . 19608 1 1249 . 1 1 103 103 ARG HB3 H 1 1.542 0.02 . 2 . . . . 103 ARG HB3 . 19608 1 1250 . 1 1 103 103 ARG HG2 H 1 1.747 0.02 . 2 . . . . 103 ARG HG2 . 19608 1 1251 . 1 1 103 103 ARG HG3 H 1 1.721 0.02 . 2 . . . . 103 ARG HG3 . 19608 1 1252 . 1 1 103 103 ARG HD2 H 1 3.297 0.02 . 2 . . . . 103 ARG HD2 . 19608 1 1253 . 1 1 103 103 ARG HD3 H 1 3.306 0.02 . 2 . . . . 103 ARG HD3 . 19608 1 1254 . 1 1 103 103 ARG C C 13 176.998 0.3 . 1 . . . . 103 ARG C . 19608 1 1255 . 1 1 103 103 ARG CA C 13 55.584 0.3 . 1 . . . . 103 ARG CA . 19608 1 1256 . 1 1 103 103 ARG CB C 13 31.01 0.3 . 1 . . . . 103 ARG CB . 19608 1 1257 . 1 1 103 103 ARG CG C 13 27.31 0.3 . 1 . . . . 103 ARG CG . 19608 1 1258 . 1 1 103 103 ARG CD C 13 43.583 0.3 . 1 . . . . 103 ARG CD . 19608 1 1259 . 1 1 103 103 ARG N N 15 112.587 0.3 . 1 . . . . 103 ARG N . 19608 1 1260 . 1 1 104 104 GLN H H 1 7.317 0.02 . 1 . . . . 104 GLN H . 19608 1 1261 . 1 1 104 104 GLN HA H 1 4.621 0.02 . 1 . . . . 104 GLN HA . 19608 1 1262 . 1 1 104 104 GLN HB2 H 1 2.255 0.02 . 2 . . . . 104 GLN HB2 . 19608 1 1263 . 1 1 104 104 GLN HB3 H 1 2.013 0.02 . 2 . . . . 104 GLN HB3 . 19608 1 1264 . 1 1 104 104 GLN HG2 H 1 2.14 0.02 . 2 . . . . 104 GLN HG2 . 19608 1 1265 . 1 1 104 104 GLN HG3 H 1 1.98 0.02 . 2 . . . . 104 GLN HG3 . 19608 1 1266 . 1 1 104 104 GLN HE21 H 1 7.59 0.02 . 1 . . . . 104 GLN HE21 . 19608 1 1267 . 1 1 104 104 GLN HE22 H 1 6.899 0.02 . 1 . . . . 104 GLN HE22 . 19608 1 1268 . 1 1 104 104 GLN C C 13 176.678 0.3 . 1 . . . . 104 GLN C . 19608 1 1269 . 1 1 104 104 GLN CA C 13 53.333 0.3 . 1 . . . . 104 GLN CA . 19608 1 1270 . 1 1 104 104 GLN CB C 13 29.203 0.3 . 1 . . . . 104 GLN CB . 19608 1 1271 . 1 1 104 104 GLN CG C 13 34.071 0.3 . 1 . . . . 104 GLN CG . 19608 1 1272 . 1 1 104 104 GLN N N 15 118.299 0.3 . 1 . . . . 104 GLN N . 19608 1 1273 . 1 1 104 104 GLN NE2 N 15 112.117 0.3 . 1 . . . . 104 GLN NE2 . 19608 1 1274 . 1 1 105 105 MET H H 1 8.575 0.02 . 1 . . . . 105 MET H . 19608 1 1275 . 1 1 105 105 MET HA H 1 3.879 0.02 . 1 . . . . 105 MET HA . 19608 1 1276 . 1 1 105 105 MET HB2 H 1 2.599 0.02 . 2 . . . . 105 MET HB2 . 19608 1 1277 . 1 1 105 105 MET HB3 H 1 1.999 0.02 . 2 . . . . 105 MET HB3 . 19608 1 1278 . 1 1 105 105 MET HG2 H 1 2.518 0.02 . 2 . . . . 105 MET HG2 . 19608 1 1279 . 1 1 105 105 MET HG3 H 1 2.567 0.02 . 2 . . . . 105 MET HG3 . 19608 1 1280 . 1 1 105 105 MET HE1 H 1 2.325 0.02 . 1 . . . . 105 MET HE . 19608 1 1281 . 1 1 105 105 MET HE2 H 1 2.325 0.02 . 1 . . . . 105 MET HE . 19608 1 1282 . 1 1 105 105 MET HE3 H 1 2.325 0.02 . 1 . . . . 105 MET HE . 19608 1 1283 . 1 1 105 105 MET C C 13 178.379 0.3 . 1 . . . . 105 MET C . 19608 1 1284 . 1 1 105 105 MET CA C 13 60.566 0.3 . 1 . . . . 105 MET CA . 19608 1 1285 . 1 1 105 105 MET CB C 13 36.089 0.3 . 1 . . . . 105 MET CB . 19608 1 1286 . 1 1 105 105 MET CG C 13 32.501 0.3 . 1 . . . . 105 MET CG . 19608 1 1287 . 1 1 105 105 MET CE C 13 18.5 0.3 . 1 . . . . 105 MET CE . 19608 1 1288 . 1 1 105 105 MET N N 15 120.785 0.3 . 1 . . . . 105 MET N . 19608 1 1289 . 1 1 106 106 GLY H H 1 8.688 0.02 . 1 . . . . 106 GLY H . 19608 1 1290 . 1 1 106 106 GLY HA2 H 1 3.459 0.02 . 2 . . . . 106 GLY HA2 . 19608 1 1291 . 1 1 106 106 GLY HA3 H 1 2.877 0.02 . 2 . . . . 106 GLY HA3 . 19608 1 1292 . 1 1 106 106 GLY C C 13 178.05 0.3 . 1 . . . . 106 GLY C . 19608 1 1293 . 1 1 106 106 GLY CA C 13 46.472 0.3 . 1 . . . . 106 GLY CA . 19608 1 1294 . 1 1 106 106 GLY N N 15 109.2 0.3 . 1 . . . . 106 GLY N . 19608 1 1295 . 1 1 107 107 TRP H H 1 8.111 0.02 . 1 . . . . 107 TRP H . 19608 1 1296 . 1 1 107 107 TRP HA H 1 4.563 0.02 . 1 . . . . 107 TRP HA . 19608 1 1297 . 1 1 107 107 TRP HB2 H 1 3.294 0.02 . 2 . . . . 107 TRP HB2 . 19608 1 1298 . 1 1 107 107 TRP HB3 H 1 2.975 0.02 . 2 . . . . 107 TRP HB3 . 19608 1 1299 . 1 1 107 107 TRP HD1 H 1 7.281 0.02 . 1 . . . . 107 TRP HD1 . 19608 1 1300 . 1 1 107 107 TRP HE1 H 1 10.662 0.02 . 1 . . . . 107 TRP HE1 . 19608 1 1301 . 1 1 107 107 TRP HZ2 H 1 7.584 0.02 . 1 . . . . 107 TRP HZ2 . 19608 1 1302 . 1 1 107 107 TRP C C 13 179.441 0.3 . 1 . . . . 107 TRP C . 19608 1 1303 . 1 1 107 107 TRP CA C 13 59.801 0.3 . 1 . . . . 107 TRP CA . 19608 1 1304 . 1 1 107 107 TRP CB C 13 30.155 0.3 . 1 . . . . 107 TRP CB . 19608 1 1305 . 1 1 107 107 TRP CD1 C 13 126.437 0.3 . 1 . . . . 107 TRP CD1 . 19608 1 1306 . 1 1 107 107 TRP CZ2 C 13 113.945 0.3 . 1 . . . . 107 TRP CZ2 . 19608 1 1307 . 1 1 107 107 TRP N N 15 122.455 0.3 . 1 . . . . 107 TRP N . 19608 1 1308 . 1 1 107 107 TRP NE1 N 15 108.348 0.3 . 1 . . . . 107 TRP NE1 . 19608 1 1309 . 1 1 108 108 ALA H H 1 8.178 0.02 . 1 . . . . 108 ALA H . 19608 1 1310 . 1 1 108 108 ALA HA H 1 3.975 0.02 . 1 . . . . 108 ALA HA . 19608 1 1311 . 1 1 108 108 ALA HB1 H 1 1.469 0.02 . 1 . . . . 108 ALA HB . 19608 1 1312 . 1 1 108 108 ALA HB2 H 1 1.469 0.02 . 1 . . . . 108 ALA HB . 19608 1 1313 . 1 1 108 108 ALA HB3 H 1 1.469 0.02 . 1 . . . . 108 ALA HB . 19608 1 1314 . 1 1 108 108 ALA C C 13 179.282 0.3 . 1 . . . . 108 ALA C . 19608 1 1315 . 1 1 108 108 ALA CA C 13 55.694 0.3 . 1 . . . . 108 ALA CA . 19608 1 1316 . 1 1 108 108 ALA CB C 13 19.3 0.3 . 1 . . . . 108 ALA CB . 19608 1 1317 . 1 1 108 108 ALA N N 15 120.667 0.3 . 1 . . . . 108 ALA N . 19608 1 1318 . 1 1 109 109 LEU H H 1 7.539 0.02 . 1 . . . . 109 LEU H . 19608 1 1319 . 1 1 109 109 LEU HA H 1 4.335 0.02 . 1 . . . . 109 LEU HA . 19608 1 1320 . 1 1 109 109 LEU HB2 H 1 1.473 0.02 . 2 . . . . 109 LEU HB2 . 19608 1 1321 . 1 1 109 109 LEU HB3 H 1 2.186 0.02 . 2 . . . . 109 LEU HB3 . 19608 1 1322 . 1 1 109 109 LEU HG H 1 1.202 0.02 . 1 . . . . 109 LEU HG . 19608 1 1323 . 1 1 109 109 LEU HD11 H 1 0.904 0.02 . 1 . . . . 109 LEU HD1 . 19608 1 1324 . 1 1 109 109 LEU HD12 H 1 0.904 0.02 . 1 . . . . 109 LEU HD1 . 19608 1 1325 . 1 1 109 109 LEU HD13 H 1 0.904 0.02 . 1 . . . . 109 LEU HD1 . 19608 1 1326 . 1 1 109 109 LEU HD21 H 1 0.874 0.02 . 1 . . . . 109 LEU HD2 . 19608 1 1327 . 1 1 109 109 LEU HD22 H 1 0.874 0.02 . 1 . . . . 109 LEU HD2 . 19608 1 1328 . 1 1 109 109 LEU HD23 H 1 0.874 0.02 . 1 . . . . 109 LEU HD2 . 19608 1 1329 . 1 1 109 109 LEU C C 13 178.981 0.3 . 1 . . . . 109 LEU C . 19608 1 1330 . 1 1 109 109 LEU CA C 13 58.683 0.3 . 1 . . . . 109 LEU CA . 19608 1 1331 . 1 1 109 109 LEU CB C 13 41.945 0.3 . 1 . . . . 109 LEU CB . 19608 1 1332 . 1 1 109 109 LEU CG C 13 24.964 0.3 . 1 . . . . 109 LEU CG . 19608 1 1333 . 1 1 109 109 LEU CD1 C 13 26.15 0.3 . 1 . . . . 109 LEU CD1 . 19608 1 1334 . 1 1 109 109 LEU CD2 C 13 27.997 0.3 . 1 . . . . 109 LEU CD2 . 19608 1 1335 . 1 1 109 109 LEU N N 15 123.133 0.3 . 1 . . . . 109 LEU N . 19608 1 1336 . 1 1 110 110 ALA H H 1 7.911 0.02 . 1 . . . . 110 ALA H . 19608 1 1337 . 1 1 110 110 ALA HA H 1 4.037 0.02 . 1 . . . . 110 ALA HA . 19608 1 1338 . 1 1 110 110 ALA HB1 H 1 1.627 0.02 . 1 . . . . 110 ALA HB . 19608 1 1339 . 1 1 110 110 ALA HB2 H 1 1.627 0.02 . 1 . . . . 110 ALA HB . 19608 1 1340 . 1 1 110 110 ALA HB3 H 1 1.627 0.02 . 1 . . . . 110 ALA HB . 19608 1 1341 . 1 1 110 110 ALA C C 13 179.658 0.3 . 1 . . . . 110 ALA C . 19608 1 1342 . 1 1 110 110 ALA CA C 13 56.01 0.3 . 1 . . . . 110 ALA CA . 19608 1 1343 . 1 1 110 110 ALA CB C 13 18.721 0.3 . 1 . . . . 110 ALA CB . 19608 1 1344 . 1 1 110 110 ALA N N 15 120.105 0.3 . 1 . . . . 110 ALA N . 19608 1 1345 . 1 1 111 111 ASP H H 1 8.514 0.02 . 1 . . . . 111 ASP H . 19608 1 1346 . 1 1 111 111 ASP HA H 1 4.557 0.02 . 1 . . . . 111 ASP HA . 19608 1 1347 . 1 1 111 111 ASP HB2 H 1 3.499 0.02 . 2 . . . . 111 ASP HB2 . 19608 1 1348 . 1 1 111 111 ASP HB3 H 1 2.785 0.02 . 2 . . . . 111 ASP HB3 . 19608 1 1349 . 1 1 111 111 ASP C C 13 177.59 0.3 . 1 . . . . 111 ASP C . 19608 1 1350 . 1 1 111 111 ASP CA C 13 58.378 0.3 . 1 . . . . 111 ASP CA . 19608 1 1351 . 1 1 111 111 ASP CB C 13 38.434 0.3 . 1 . . . . 111 ASP CB . 19608 1 1352 . 1 1 111 111 ASP N N 15 114.823 0.3 . 1 . . . . 111 ASP N . 19608 1 1353 . 1 1 112 112 LEU H H 1 9.015 0.02 . 1 . . . . 112 LEU H . 19608 1 1354 . 1 1 112 112 LEU HA H 1 4.285 0.02 . 1 . . . . 112 LEU HA . 19608 1 1355 . 1 1 112 112 LEU HB2 H 1 2.204 0.02 . 2 . . . . 112 LEU HB2 . 19608 1 1356 . 1 1 112 112 LEU HB3 H 1 2.228 0.02 . 2 . . . . 112 LEU HB3 . 19608 1 1357 . 1 1 112 112 LEU HG H 1 1.949 0.02 . 1 . . . . 112 LEU HG . 19608 1 1358 . 1 1 112 112 LEU HD11 H 1 0.879 0.02 . 1 . . . . 112 LEU HD1 . 19608 1 1359 . 1 1 112 112 LEU HD12 H 1 0.879 0.02 . 1 . . . . 112 LEU HD1 . 19608 1 1360 . 1 1 112 112 LEU HD13 H 1 0.879 0.02 . 1 . . . . 112 LEU HD1 . 19608 1 1361 . 1 1 112 112 LEU HD21 H 1 0.971 0.02 . 1 . . . . 112 LEU HD2 . 19608 1 1362 . 1 1 112 112 LEU HD22 H 1 0.971 0.02 . 1 . . . . 112 LEU HD2 . 19608 1 1363 . 1 1 112 112 LEU HD23 H 1 0.971 0.02 . 1 . . . . 112 LEU HD2 . 19608 1 1364 . 1 1 112 112 LEU C C 13 181.312 0.3 . 1 . . . . 112 LEU C . 19608 1 1365 . 1 1 112 112 LEU CA C 13 58.599 0.3 . 1 . . . . 112 LEU CA . 19608 1 1366 . 1 1 112 112 LEU CB C 13 41.671 0.3 . 1 . . . . 112 LEU CB . 19608 1 1367 . 1 1 112 112 LEU CG C 13 27.361 0.3 . 1 . . . . 112 LEU CG . 19608 1 1368 . 1 1 112 112 LEU CD1 C 13 26.385 0.3 . 1 . . . . 112 LEU CD1 . 19608 1 1369 . 1 1 112 112 LEU CD2 C 13 25.714 0.3 . 1 . . . . 112 LEU CD2 . 19608 1 1370 . 1 1 112 112 LEU N N 15 121.227 0.3 . 1 . . . . 112 LEU N . 19608 1 1371 . 1 1 113 113 LEU H H 1 8.591 0.02 . 1 . . . . 113 LEU H . 19608 1 1372 . 1 1 113 113 LEU HA H 1 4.153 0.02 . 1 . . . . 113 LEU HA . 19608 1 1373 . 1 1 113 113 LEU HB2 H 1 1.869 0.02 . 2 . . . . 113 LEU HB2 . 19608 1 1374 . 1 1 113 113 LEU HB3 H 1 1.685 0.02 . 2 . . . . 113 LEU HB3 . 19608 1 1375 . 1 1 113 113 LEU HG H 1 1.543 0.02 . 1 . . . . 113 LEU HG . 19608 1 1376 . 1 1 113 113 LEU HD11 H 1 0.907 0.02 . 1 . . . . 113 LEU HD1 . 19608 1 1377 . 1 1 113 113 LEU HD12 H 1 0.907 0.02 . 1 . . . . 113 LEU HD1 . 19608 1 1378 . 1 1 113 113 LEU HD13 H 1 0.907 0.02 . 1 . . . . 113 LEU HD1 . 19608 1 1379 . 1 1 113 113 LEU HD21 H 1 0.907 0.02 . 1 . . . . 113 LEU HD2 . 19608 1 1380 . 1 1 113 113 LEU HD22 H 1 0.907 0.02 . 1 . . . . 113 LEU HD2 . 19608 1 1381 . 1 1 113 113 LEU HD23 H 1 0.907 0.02 . 1 . . . . 113 LEU HD2 . 19608 1 1382 . 1 1 113 113 LEU C C 13 179.676 0.3 . 1 . . . . 113 LEU C . 19608 1 1383 . 1 1 113 113 LEU CA C 13 58.897 0.3 . 1 . . . . 113 LEU CA . 19608 1 1384 . 1 1 113 113 LEU CB C 13 42.127 0.3 . 1 . . . . 113 LEU CB . 19608 1 1385 . 1 1 113 113 LEU CG C 13 27.439 0.3 . 1 . . . . 113 LEU CG . 19608 1 1386 . 1 1 113 113 LEU CD1 C 13 24.368 0.3 . 1 . . . . 113 LEU CD1 . 19608 1 1387 . 1 1 113 113 LEU CD2 C 13 26.127 0.3 . 1 . . . . 113 LEU CD2 . 19608 1 1388 . 1 1 113 113 LEU N N 15 122.171 0.3 . 1 . . . . 113 LEU N . 19608 1 1389 . 1 1 114 114 LEU H H 1 8.065 0.02 . 1 . . . . 114 LEU H . 19608 1 1390 . 1 1 114 114 LEU HA H 1 4.177 0.02 . 1 . . . . 114 LEU HA . 19608 1 1391 . 1 1 114 114 LEU HB2 H 1 2.202 0.02 . 2 . . . . 114 LEU HB2 . 19608 1 1392 . 1 1 114 114 LEU HB3 H 1 1.989 0.02 . 2 . . . . 114 LEU HB3 . 19608 1 1393 . 1 1 114 114 LEU HG H 1 1.933 0.02 . 1 . . . . 114 LEU HG . 19608 1 1394 . 1 1 114 114 LEU HD11 H 1 0.908 0.02 . 1 . . . . 114 LEU HD1 . 19608 1 1395 . 1 1 114 114 LEU HD12 H 1 0.908 0.02 . 1 . . . . 114 LEU HD1 . 19608 1 1396 . 1 1 114 114 LEU HD13 H 1 0.908 0.02 . 1 . . . . 114 LEU HD1 . 19608 1 1397 . 1 1 114 114 LEU HD21 H 1 0.973 0.02 . 1 . . . . 114 LEU HD2 . 19608 1 1398 . 1 1 114 114 LEU HD22 H 1 0.973 0.02 . 1 . . . . 114 LEU HD2 . 19608 1 1399 . 1 1 114 114 LEU HD23 H 1 0.973 0.02 . 1 . . . . 114 LEU HD2 . 19608 1 1400 . 1 1 114 114 LEU C C 13 180.071 0.3 . 1 . . . . 114 LEU C . 19608 1 1401 . 1 1 114 114 LEU CA C 13 58.775 0.3 . 1 . . . . 114 LEU CA . 19608 1 1402 . 1 1 114 114 LEU CB C 13 42.069 0.3 . 1 . . . . 114 LEU CB . 19608 1 1403 . 1 1 114 114 LEU CG C 13 27.73 0.3 . 1 . . . . 114 LEU CG . 19608 1 1404 . 1 1 114 114 LEU CD1 C 13 24.252 0.3 . 1 . . . . 114 LEU CD1 . 19608 1 1405 . 1 1 114 114 LEU CD2 C 13 25.309 0.3 . 1 . . . . 114 LEU CD2 . 19608 1 1406 . 1 1 114 114 LEU N N 15 119.672 0.3 . 1 . . . . 114 LEU N . 19608 1 1407 . 1 1 115 115 VAL H H 1 9.524 0.02 . 1 . . . . 115 VAL H . 19608 1 1408 . 1 1 115 115 VAL HA H 1 3.523 0.02 . 1 . . . . 115 VAL HA . 19608 1 1409 . 1 1 115 115 VAL HB H 1 2.503 0.02 . 1 . . . . 115 VAL HB . 19608 1 1410 . 1 1 115 115 VAL HG11 H 1 1.314 0.02 . 1 . . . . 115 VAL HG1 . 19608 1 1411 . 1 1 115 115 VAL HG12 H 1 1.314 0.02 . 1 . . . . 115 VAL HG1 . 19608 1 1412 . 1 1 115 115 VAL HG13 H 1 1.314 0.02 . 1 . . . . 115 VAL HG1 . 19608 1 1413 . 1 1 115 115 VAL HG21 H 1 1.323 0.02 . 1 . . . . 115 VAL HG2 . 19608 1 1414 . 1 1 115 115 VAL HG22 H 1 1.323 0.02 . 1 . . . . 115 VAL HG2 . 19608 1 1415 . 1 1 115 115 VAL HG23 H 1 1.323 0.02 . 1 . . . . 115 VAL HG2 . 19608 1 1416 . 1 1 115 115 VAL C C 13 178.981 0.3 . 1 . . . . 115 VAL C . 19608 1 1417 . 1 1 115 115 VAL CA C 13 68.021 0.3 . 1 . . . . 115 VAL CA . 19608 1 1418 . 1 1 115 115 VAL CB C 13 32.215 0.3 . 1 . . . . 115 VAL CB . 19608 1 1419 . 1 1 115 115 VAL CG1 C 13 24.393 0.3 . 1 . . . . 115 VAL CG1 . 19608 1 1420 . 1 1 115 115 VAL CG2 C 13 24.871 0.3 . 1 . . . . 115 VAL CG2 . 19608 1 1421 . 1 1 115 115 VAL N N 15 120.702 0.3 . 1 . . . . 115 VAL N . 19608 1 1422 . 1 1 116 116 SER H H 1 8.65 0.02 . 1 . . . . 116 SER H . 19608 1 1423 . 1 1 116 116 SER HA H 1 4.108 0.02 . 1 . . . . 116 SER HA . 19608 1 1424 . 1 1 116 116 SER HB2 H 1 4.119 0.02 . 2 . . . . 116 SER HB2 . 19608 1 1425 . 1 1 116 116 SER HB3 H 1 3.561 0.02 . 2 . . . . 116 SER HB3 . 19608 1 1426 . 1 1 116 116 SER C C 13 178.586 0.3 . 1 . . . . 116 SER C . 19608 1 1427 . 1 1 116 116 SER CA C 13 63.875 0.3 . 1 . . . . 116 SER CA . 19608 1 1428 . 1 1 116 116 SER CB C 13 63.031 0.3 . 1 . . . . 116 SER CB . 19608 1 1429 . 1 1 116 116 SER N N 15 116.38 0.3 . 1 . . . . 116 SER N . 19608 1 1430 . 1 1 117 117 GLY H H 1 8.854 0.02 . 1 . . . . 117 GLY H . 19608 1 1431 . 1 1 117 117 GLY HA2 H 1 3.706 0.02 . 2 . . . . 117 GLY HA2 . 19608 1 1432 . 1 1 117 117 GLY HA3 H 1 3.561 0.02 . 2 . . . . 117 GLY HA3 . 19608 1 1433 . 1 1 117 117 GLY C C 13 175.588 0.3 . 1 . . . . 117 GLY C . 19608 1 1434 . 1 1 117 117 GLY CA C 13 47.991 0.3 . 1 . . . . 117 GLY CA . 19608 1 1435 . 1 1 117 117 GLY N N 15 111.519 0.3 . 1 . . . . 117 GLY N . 19608 1 1436 . 1 1 118 118 VAL H H 1 9.262 0.02 . 1 . . . . 118 VAL H . 19608 1 1437 . 1 1 118 118 VAL HA H 1 3.736 0.02 . 1 . . . . 118 VAL HA . 19608 1 1438 . 1 1 118 118 VAL HB H 1 2.05 0.02 . 1 . . . . 118 VAL HB . 19608 1 1439 . 1 1 118 118 VAL HG11 H 1 1.115 0.02 . 1 . . . . 118 VAL HG1 . 19608 1 1440 . 1 1 118 118 VAL HG12 H 1 1.115 0.02 . 1 . . . . 118 VAL HG1 . 19608 1 1441 . 1 1 118 118 VAL HG13 H 1 1.115 0.02 . 1 . . . . 118 VAL HG1 . 19608 1 1442 . 1 1 118 118 VAL HG21 H 1 1.074 0.02 . 1 . . . . 118 VAL HG2 . 19608 1 1443 . 1 1 118 118 VAL HG22 H 1 1.074 0.02 . 1 . . . . 118 VAL HG2 . 19608 1 1444 . 1 1 118 118 VAL HG23 H 1 1.074 0.02 . 1 . . . . 118 VAL HG2 . 19608 1 1445 . 1 1 118 118 VAL C C 13 181.067 0.3 . 1 . . . . 118 VAL C . 19608 1 1446 . 1 1 118 118 VAL CA C 13 67.176 0.3 . 1 . . . . 118 VAL CA . 19608 1 1447 . 1 1 118 118 VAL CB C 13 31.663 0.3 . 1 . . . . 118 VAL CB . 19608 1 1448 . 1 1 118 118 VAL CG1 C 13 24.838 0.3 . 1 . . . . 118 VAL CG1 . 19608 1 1449 . 1 1 118 118 VAL CG2 C 13 23.724 0.3 . 1 . . . . 118 VAL CG2 . 19608 1 1450 . 1 1 118 118 VAL N N 15 122.339 0.3 . 1 . . . . 118 VAL N . 19608 1 1451 . 1 1 119 119 ALA H H 1 10.262 0.02 . 1 . . . . 119 ALA H . 19608 1 1452 . 1 1 119 119 ALA HA H 1 4.019 0.02 . 1 . . . . 119 ALA HA . 19608 1 1453 . 1 1 119 119 ALA HB1 H 1 1.483 0.02 . 1 . . . . 119 ALA HB . 19608 1 1454 . 1 1 119 119 ALA HB2 H 1 1.483 0.02 . 1 . . . . 119 ALA HB . 19608 1 1455 . 1 1 119 119 ALA HB3 H 1 1.483 0.02 . 1 . . . . 119 ALA HB . 19608 1 1456 . 1 1 119 119 ALA C C 13 181.039 0.3 . 1 . . . . 119 ALA C . 19608 1 1457 . 1 1 119 119 ALA CA C 13 56.611 0.3 . 1 . . . . 119 ALA CA . 19608 1 1458 . 1 1 119 119 ALA CB C 13 18.48 0.3 . 1 . . . . 119 ALA CB . 19608 1 1459 . 1 1 119 119 ALA N N 15 106.119 0.3 . 1 . . . . 119 ALA N . 19608 1 1460 . 1 1 120 120 THR H H 1 8.3 0.02 . 1 . . . . 120 THR H . 19608 1 1461 . 1 1 120 120 THR HA H 1 3.865 0.02 . 1 . . . . 120 THR HA . 19608 1 1462 . 1 1 120 120 THR HB H 1 4.463 0.02 . 1 . . . . 120 THR HB . 19608 1 1463 . 1 1 120 120 THR HG21 H 1 1.154 0.02 . 1 . . . . 120 THR HG2 . 19608 1 1464 . 1 1 120 120 THR HG22 H 1 1.154 0.02 . 1 . . . . 120 THR HG2 . 19608 1 1465 . 1 1 120 120 THR HG23 H 1 1.154 0.02 . 1 . . . . 120 THR HG2 . 19608 1 1466 . 1 1 120 120 THR C C 13 176.772 0.3 . 1 . . . . 120 THR C . 19608 1 1467 . 1 1 120 120 THR CA C 13 69.391 0.3 . 1 . . . . 120 THR CA . 19608 1 1468 . 1 1 120 120 THR CB C 13 67.584 0.3 . 1 . . . . 120 THR CB . 19608 1 1469 . 1 1 120 120 THR CG2 C 13 21.618 0.3 . 1 . . . . 120 THR CG2 . 19608 1 1470 . 1 1 120 120 THR N N 15 121.355 0.3 . 1 . . . . 120 THR N . 19608 1 1471 . 1 1 121 121 ALA H H 1 8.047 0.02 . 1 . . . . 121 ALA H . 19608 1 1472 . 1 1 121 121 ALA HA H 1 4.053 0.02 . 1 . . . . 121 ALA HA . 19608 1 1473 . 1 1 121 121 ALA HB1 H 1 1.635 0.02 . 1 . . . . 121 ALA HB . 19608 1 1474 . 1 1 121 121 ALA HB2 H 1 1.635 0.02 . 1 . . . . 121 ALA HB . 19608 1 1475 . 1 1 121 121 ALA HB3 H 1 1.635 0.02 . 1 . . . . 121 ALA HB . 19608 1 1476 . 1 1 121 121 ALA C C 13 179.517 0.3 . 1 . . . . 121 ALA C . 19608 1 1477 . 1 1 121 121 ALA CA C 13 56.188 0.3 . 1 . . . . 121 ALA CA . 19608 1 1478 . 1 1 121 121 ALA CB C 13 18.214 0.3 . 1 . . . . 121 ALA CB . 19608 1 1479 . 1 1 121 121 ALA N N 15 123.793 0.3 . 1 . . . . 121 ALA N . 19608 1 1480 . 1 1 122 122 THR H H 1 8.66 0.02 . 1 . . . . 122 THR H . 19608 1 1481 . 1 1 122 122 THR HA H 1 4.298 0.02 . 1 . . . . 122 THR HA . 19608 1 1482 . 1 1 122 122 THR HB H 1 3.612 0.02 . 1 . . . . 122 THR HB . 19608 1 1483 . 1 1 122 122 THR HG21 H 1 0.472 0.02 . 1 . . . . 122 THR HG2 . 19608 1 1484 . 1 1 122 122 THR HG22 H 1 0.472 0.02 . 1 . . . . 122 THR HG2 . 19608 1 1485 . 1 1 122 122 THR HG23 H 1 0.472 0.02 . 1 . . . . 122 THR HG2 . 19608 1 1486 . 1 1 122 122 THR C C 13 175.174 0.3 . 1 . . . . 122 THR C . 19608 1 1487 . 1 1 122 122 THR CA C 13 68.235 0.3 . 1 . . . . 122 THR CA . 19608 1 1488 . 1 1 122 122 THR CB C 13 68.439 0.3 . 1 . . . . 122 THR CB . 19608 1 1489 . 1 1 122 122 THR CG2 C 13 21.315 0.3 . 1 . . . . 122 THR CG2 . 19608 1 1490 . 1 1 122 122 THR N N 15 114.786 0.3 . 1 . . . . 122 THR N . 19608 1 1491 . 1 1 123 123 THR H H 1 7.851 0.02 . 1 . . . . 123 THR H . 19608 1 1492 . 1 1 123 123 THR HA H 1 4.596 0.02 . 1 . . . . 123 THR HA . 19608 1 1493 . 1 1 123 123 THR HB H 1 3.664 0.02 . 1 . . . . 123 THR HB . 19608 1 1494 . 1 1 123 123 THR HG21 H 1 1.569 0.02 . 1 . . . . 123 THR HG2 . 19608 1 1495 . 1 1 123 123 THR HG22 H 1 1.569 0.02 . 1 . . . . 123 THR HG2 . 19608 1 1496 . 1 1 123 123 THR HG23 H 1 1.569 0.02 . 1 . . . . 123 THR HG2 . 19608 1 1497 . 1 1 123 123 THR C C 13 177.167 0.3 . 1 . . . . 123 THR C . 19608 1 1498 . 1 1 123 123 THR CA C 13 68.667 0.3 . 1 . . . . 123 THR CA . 19608 1 1499 . 1 1 123 123 THR CB C 13 68.848 0.3 . 1 . . . . 123 THR CB . 19608 1 1500 . 1 1 123 123 THR CG2 C 13 22.215 0.3 . 1 . . . . 123 THR CG2 . 19608 1 1501 . 1 1 123 123 THR N N 15 118.888 0.3 . 1 . . . . 123 THR N . 19608 1 1502 . 1 1 124 124 LEU H H 1 7.869 0.02 . 1 . . . . 124 LEU H . 19608 1 1503 . 1 1 124 124 LEU HA H 1 4.162 0.02 . 1 . . . . 124 LEU HA . 19608 1 1504 . 1 1 124 124 LEU HB2 H 1 2.206 0.02 . 2 . . . . 124 LEU HB2 . 19608 1 1505 . 1 1 124 124 LEU HB3 H 1 1.933 0.02 . 2 . . . . 124 LEU HB3 . 19608 1 1506 . 1 1 124 124 LEU HG H 1 1.95 0.02 . 1 . . . . 124 LEU HG . 19608 1 1507 . 1 1 124 124 LEU HD11 H 1 0.922 0.02 . 1 . . . . 124 LEU HD1 . 19608 1 1508 . 1 1 124 124 LEU HD12 H 1 0.922 0.02 . 1 . . . . 124 LEU HD1 . 19608 1 1509 . 1 1 124 124 LEU HD13 H 1 0.922 0.02 . 1 . . . . 124 LEU HD1 . 19608 1 1510 . 1 1 124 124 LEU HD21 H 1 0.901 0.02 . 1 . . . . 124 LEU HD2 . 19608 1 1511 . 1 1 124 124 LEU HD22 H 1 0.901 0.02 . 1 . . . . 124 LEU HD2 . 19608 1 1512 . 1 1 124 124 LEU HD23 H 1 0.901 0.02 . 1 . . . . 124 LEU HD2 . 19608 1 1513 . 1 1 124 124 LEU C C 13 179.789 0.3 . 1 . . . . 124 LEU C . 19608 1 1514 . 1 1 124 124 LEU CA C 13 58.978 0.3 . 1 . . . . 124 LEU CA . 19608 1 1515 . 1 1 124 124 LEU CB C 13 42.144 0.3 . 1 . . . . 124 LEU CB . 19608 1 1516 . 1 1 124 124 LEU CG C 13 27.509 0.3 . 1 . . . . 124 LEU CG . 19608 1 1517 . 1 1 124 124 LEU CD1 C 13 25.811 0.3 . 1 . . . . 124 LEU CD1 . 19608 1 1518 . 1 1 124 124 LEU CD2 C 13 24.075 0.3 . 1 . . . . 124 LEU CD2 . 19608 1 1519 . 1 1 124 124 LEU N N 15 121.113 0.3 . 1 . . . . 124 LEU N . 19608 1 1520 . 1 1 125 125 ALA H H 1 8.485 0.02 . 1 . . . . 125 ALA H . 19608 1 1521 . 1 1 125 125 ALA HA H 1 4.31 0.02 . 1 . . . . 125 ALA HA . 19608 1 1522 . 1 1 125 125 ALA HB1 H 1 1.727 0.02 . 1 . . . . 125 ALA HB . 19608 1 1523 . 1 1 125 125 ALA HB2 H 1 1.727 0.02 . 1 . . . . 125 ALA HB . 19608 1 1524 . 1 1 125 125 ALA HB3 H 1 1.727 0.02 . 1 . . . . 125 ALA HB . 19608 1 1525 . 1 1 125 125 ALA C C 13 181.979 0.3 . 1 . . . . 125 ALA C . 19608 1 1526 . 1 1 125 125 ALA CA C 13 55.545 0.3 . 1 . . . . 125 ALA CA . 19608 1 1527 . 1 1 125 125 ALA CB C 13 18.75 0.3 . 1 . . . . 125 ALA CB . 19608 1 1528 . 1 1 125 125 ALA N N 15 121.462 0.3 . 1 . . . . 125 ALA N . 19608 1 1529 . 1 1 126 126 TRP H H 1 9.919 0.02 . 1 . . . . 126 TRP H . 19608 1 1530 . 1 1 126 126 TRP HA H 1 4.534 0.02 . 1 . . . . 126 TRP HA . 19608 1 1531 . 1 1 126 126 TRP HB2 H 1 4.323 0.02 . 2 . . . . 126 TRP HB2 . 19608 1 1532 . 1 1 126 126 TRP HB3 H 1 3.662 0.02 . 2 . . . . 126 TRP HB3 . 19608 1 1533 . 1 1 126 126 TRP HD1 H 1 6.966 0.02 . 1 . . . . 126 TRP HD1 . 19608 1 1534 . 1 1 126 126 TRP HE1 H 1 9.149 0.02 . 1 . . . . 126 TRP HE1 . 19608 1 1535 . 1 1 126 126 TRP HZ2 H 1 6.584 0.02 . 1 . . . . 126 TRP HZ2 . 19608 1 1536 . 1 1 126 126 TRP C C 13 179.018 0.3 . 1 . . . . 126 TRP C . 19608 1 1537 . 1 1 126 126 TRP CA C 13 60.611 0.3 . 1 . . . . 126 TRP CA . 19608 1 1538 . 1 1 126 126 TRP CB C 13 29.198 0.3 . 1 . . . . 126 TRP CB . 19608 1 1539 . 1 1 126 126 TRP CD1 C 13 126.609 0.3 . 1 . . . . 126 TRP CD1 . 19608 1 1540 . 1 1 126 126 TRP CZ2 C 13 113.179 0.3 . 1 . . . . 126 TRP CZ2 . 19608 1 1541 . 1 1 126 126 TRP N N 15 119.39 0.3 . 1 . . . . 126 TRP N . 19608 1 1542 . 1 1 126 126 TRP NE1 N 15 123.295 0.3 . 1 . . . . 126 TRP NE1 . 19608 1 1543 . 1 1 127 127 HIS H H 1 8.832 0.02 . 1 . . . . 127 HIS H . 19608 1 1544 . 1 1 127 127 HIS HA H 1 3.957 0.02 . 1 . . . . 127 HIS HA . 19608 1 1545 . 1 1 127 127 HIS HB2 H 1 3.373 0.02 . 2 . . . . 127 HIS HB2 . 19608 1 1546 . 1 1 127 127 HIS HB3 H 1 3.457 0.02 . 2 . . . . 127 HIS HB3 . 19608 1 1547 . 1 1 127 127 HIS HD2 H 1 7.171 0.02 . 1 . . . . 127 HIS HD2 . 19608 1 1548 . 1 1 127 127 HIS C C 13 176.603 0.3 . 1 . . . . 127 HIS C . 19608 1 1549 . 1 1 127 127 HIS CA C 13 61.914 0.3 . 1 . . . . 127 HIS CA . 19608 1 1550 . 1 1 127 127 HIS CB C 13 30.674 0.3 . 1 . . . . 127 HIS CB . 19608 1 1551 . 1 1 127 127 HIS CD2 C 13 119.798 0.3 . 1 . . . . 127 HIS CD2 . 19608 1 1552 . 1 1 127 127 HIS N N 15 121.921 0.3 . 1 . . . . 127 HIS N . 19608 1 1553 . 1 1 128 128 ARG H H 1 7.276 0.02 . 1 . . . . 128 ARG H . 19608 1 1554 . 1 1 128 128 ARG HA H 1 4.28 0.02 . 1 . . . . 128 ARG HA . 19608 1 1555 . 1 1 128 128 ARG HB2 H 1 2.192 0.02 . 2 . . . . 128 ARG HB2 . 19608 1 1556 . 1 1 128 128 ARG HB3 H 1 2.092 0.02 . 2 . . . . 128 ARG HB3 . 19608 1 1557 . 1 1 128 128 ARG HG2 H 1 1.969 0.02 . 2 . . . . 128 ARG HG2 . 19608 1 1558 . 1 1 128 128 ARG HG3 H 1 2.09 0.02 . 2 . . . . 128 ARG HG3 . 19608 1 1559 . 1 1 128 128 ARG HD2 H 1 3.417 0.02 . 2 . . . . 128 ARG HD2 . 19608 1 1560 . 1 1 128 128 ARG HD3 H 1 3.409 0.02 . 2 . . . . 128 ARG HD3 . 19608 1 1561 . 1 1 128 128 ARG C C 13 177.402 0.3 . 1 . . . . 128 ARG C . 19608 1 1562 . 1 1 128 128 ARG CA C 13 58.495 0.3 . 1 . . . . 128 ARG CA . 19608 1 1563 . 1 1 128 128 ARG CB C 13 30.788 0.3 . 1 . . . . 128 ARG CB . 19608 1 1564 . 1 1 128 128 ARG CG C 13 27.889 0.3 . 1 . . . . 128 ARG CG . 19608 1 1565 . 1 1 128 128 ARG CD C 13 43.84 0.3 . 1 . . . . 128 ARG CD . 19608 1 1566 . 1 1 128 128 ARG N N 15 113.326 0.3 . 1 . . . . 128 ARG N . 19608 1 1567 . 1 1 129 129 VAL H H 1 7.383 0.02 . 1 . . . . 129 VAL H . 19608 1 1568 . 1 1 129 129 VAL HA H 1 4.138 0.02 . 1 . . . . 129 VAL HA . 19608 1 1569 . 1 1 129 129 VAL HB H 1 2.044 0.02 . 1 . . . . 129 VAL HB . 19608 1 1570 . 1 1 129 129 VAL HG11 H 1 0.975 0.02 . 1 . . . . 129 VAL HG1 . 19608 1 1571 . 1 1 129 129 VAL HG12 H 1 0.975 0.02 . 1 . . . . 129 VAL HG1 . 19608 1 1572 . 1 1 129 129 VAL HG13 H 1 0.975 0.02 . 1 . . . . 129 VAL HG1 . 19608 1 1573 . 1 1 129 129 VAL HG21 H 1 1.115 0.02 . 1 . . . . 129 VAL HG2 . 19608 1 1574 . 1 1 129 129 VAL HG22 H 1 1.115 0.02 . 1 . . . . 129 VAL HG2 . 19608 1 1575 . 1 1 129 129 VAL HG23 H 1 1.115 0.02 . 1 . . . . 129 VAL HG2 . 19608 1 1576 . 1 1 129 129 VAL C C 13 176.65 0.3 . 1 . . . . 129 VAL C . 19608 1 1577 . 1 1 129 129 VAL CA C 13 63.927 0.3 . 1 . . . . 129 VAL CA . 19608 1 1578 . 1 1 129 129 VAL CB C 13 34.236 0.3 . 1 . . . . 129 VAL CB . 19608 1 1579 . 1 1 129 129 VAL CG1 C 13 22.086 0.3 . 1 . . . . 129 VAL CG1 . 19608 1 1580 . 1 1 129 129 VAL CG2 C 13 21.58 0.3 . 1 . . . . 129 VAL CG2 . 19608 1 1581 . 1 1 129 129 VAL N N 15 116.199 0.3 . 1 . . . . 129 VAL N . 19608 1 1582 . 1 1 130 130 SER H H 1 8.979 0.02 . 1 . . . . 130 SER H . 19608 1 1583 . 1 1 130 130 SER HA H 1 4.168 0.02 . 1 . . . . 130 SER HA . 19608 1 1584 . 1 1 130 130 SER HB2 H 1 4.174 0.02 . 2 . . . . 130 SER HB2 . 19608 1 1585 . 1 1 130 130 SER HB3 H 1 3.577 0.02 . 2 . . . . 130 SER HB3 . 19608 1 1586 . 1 1 130 130 SER CA C 13 55.467 0.3 . 1 . . . . 130 SER CA . 19608 1 1587 . 1 1 130 130 SER CB C 13 63.362 0.3 . 1 . . . . 130 SER CB . 19608 1 1588 . 1 1 130 130 SER N N 15 111.651 0.3 . 1 . . . . 130 SER N . 19608 1 1589 . 1 1 131 131 PRO HA H 1 4.507 0.02 . 1 . . . . 131 PRO HA . 19608 1 1590 . 1 1 131 131 PRO HB2 H 1 1.888 0.02 . 2 . . . . 131 PRO HB2 . 19608 1 1591 . 1 1 131 131 PRO HB3 H 1 2.385 0.02 . 2 . . . . 131 PRO HB3 . 19608 1 1592 . 1 1 131 131 PRO HG2 H 1 1.796 0.02 . 2 . . . . 131 PRO HG2 . 19608 1 1593 . 1 1 131 131 PRO HG3 H 1 1.883 0.02 . 2 . . . . 131 PRO HG3 . 19608 1 1594 . 1 1 131 131 PRO HD2 H 1 3.181 0.02 . 2 . . . . 131 PRO HD2 . 19608 1 1595 . 1 1 131 131 PRO HD3 H 1 3.706 0.02 . 2 . . . . 131 PRO HD3 . 19608 1 1596 . 1 1 131 131 PRO CA C 13 63.765 0.3 . 1 . . . . 131 PRO CA . 19608 1 1597 . 1 1 131 131 PRO CB C 13 32.313 0.3 . 1 . . . . 131 PRO CB . 19608 1 1598 . 1 1 131 131 PRO CG C 13 28.002 0.3 . 1 . . . . 131 PRO CG . 19608 1 1599 . 1 1 131 131 PRO CD C 13 51.055 0.3 . 1 . . . . 131 PRO CD . 19608 1 1600 . 1 1 132 132 PRO HA H 1 4.734 0.02 . 1 . . . . 132 PRO HA . 19608 1 1601 . 1 1 132 132 PRO HB2 H 1 2.516 0.02 . 2 . . . . 132 PRO HB2 . 19608 1 1602 . 1 1 132 132 PRO HB3 H 1 2.565 0.02 . 2 . . . . 132 PRO HB3 . 19608 1 1603 . 1 1 132 132 PRO HG2 H 1 1.757 0.02 . 2 . . . . 132 PRO HG2 . 19608 1 1604 . 1 1 132 132 PRO HG3 H 1 1.982 0.02 . 2 . . . . 132 PRO HG3 . 19608 1 1605 . 1 1 132 132 PRO HD2 H 1 4.084 0.02 . 2 . . . . 132 PRO HD2 . 19608 1 1606 . 1 1 132 132 PRO HD3 H 1 3.881 0.02 . 2 . . . . 132 PRO HD3 . 19608 1 1607 . 1 1 132 132 PRO C C 13 179.122 0.3 . 1 . . . . 132 PRO C . 19608 1 1608 . 1 1 132 132 PRO CA C 13 67.42 0.3 . 1 . . . . 132 PRO CA . 19608 1 1609 . 1 1 132 132 PRO CB C 13 32.442 0.3 . 1 . . . . 132 PRO CB . 19608 1 1610 . 1 1 132 132 PRO CG C 13 27.857 0.3 . 1 . . . . 132 PRO CG . 19608 1 1611 . 1 1 132 132 PRO CD C 13 49.636 0.3 . 1 . . . . 132 PRO CD . 19608 1 1612 . 1 1 133 133 ALA H H 1 7.568 0.02 . 1 . . . . 133 ALA H . 19608 1 1613 . 1 1 133 133 ALA HA H 1 4.163 0.02 . 1 . . . . 133 ALA HA . 19608 1 1614 . 1 1 133 133 ALA HB1 H 1 1.371 0.02 . 1 . . . . 133 ALA HB . 19608 1 1615 . 1 1 133 133 ALA HB2 H 1 1.371 0.02 . 1 . . . . 133 ALA HB . 19608 1 1616 . 1 1 133 133 ALA HB3 H 1 1.371 0.02 . 1 . . . . 133 ALA HB . 19608 1 1617 . 1 1 133 133 ALA C C 13 180.238 0.3 . 1 . . . . 133 ALA C . 19608 1 1618 . 1 1 133 133 ALA CA C 13 55.396 0.3 . 1 . . . . 133 ALA CA . 19608 1 1619 . 1 1 133 133 ALA CB C 13 19.229 0.3 . 1 . . . . 133 ALA CB . 19608 1 1620 . 1 1 133 133 ALA N N 15 118.074 0.3 . 1 . . . . 133 ALA N . 19608 1 1621 . 1 1 134 134 ALA H H 1 7.845 0.02 . 1 . . . . 134 ALA H . 19608 1 1622 . 1 1 134 134 ALA HA H 1 4.34 0.02 . 1 . . . . 134 ALA HA . 19608 1 1623 . 1 1 134 134 ALA HB1 H 1 1.656 0.02 . 1 . . . . 134 ALA HB . 19608 1 1624 . 1 1 134 134 ALA HB2 H 1 1.656 0.02 . 1 . . . . 134 ALA HB . 19608 1 1625 . 1 1 134 134 ALA HB3 H 1 1.656 0.02 . 1 . . . . 134 ALA HB . 19608 1 1626 . 1 1 134 134 ALA C C 13 179.962 0.3 . 1 . . . . 134 ALA C . 19608 1 1627 . 1 1 134 134 ALA CA C 13 55.79 0.3 . 1 . . . . 134 ALA CA . 19608 1 1628 . 1 1 134 134 ALA CB C 13 18.608 0.3 . 1 . . . . 134 ALA CB . 19608 1 1629 . 1 1 134 134 ALA N N 15 117.779 0.3 . 1 . . . . 134 ALA N . 19608 1 1630 . 1 1 135 135 ARG H H 1 7.798 0.02 . 1 . . . . 135 ARG H . 19608 1 1631 . 1 1 135 135 ARG HA H 1 2.504 0.02 . 1 . . . . 135 ARG HA . 19608 1 1632 . 1 1 135 135 ARG HB2 H 1 1.62 0.02 . 2 . . . . 135 ARG HB2 . 19608 1 1633 . 1 1 135 135 ARG HB3 H 1 1.83 0.02 . 2 . . . . 135 ARG HB3 . 19608 1 1634 . 1 1 135 135 ARG HG2 H 1 1.57 0.02 . 2 . . . . 135 ARG HG2 . 19608 1 1635 . 1 1 135 135 ARG HG3 H 1 1.877 0.02 . 2 . . . . 135 ARG HG3 . 19608 1 1636 . 1 1 135 135 ARG HD2 H 1 3.228 0.02 . 2 . . . . 135 ARG HD2 . 19608 1 1637 . 1 1 135 135 ARG HD3 H 1 3.207 0.02 . 2 . . . . 135 ARG HD3 . 19608 1 1638 . 1 1 135 135 ARG C C 13 179.329 0.3 . 1 . . . . 135 ARG C . 19608 1 1639 . 1 1 135 135 ARG CA C 13 58.583 0.3 . 1 . . . . 135 ARG CA . 19608 1 1640 . 1 1 135 135 ARG CB C 13 30.464 0.3 . 1 . . . . 135 ARG CB . 19608 1 1641 . 1 1 135 135 ARG CG C 13 28.63 0.3 . 1 . . . . 135 ARG CG . 19608 1 1642 . 1 1 135 135 ARG CD C 13 44.571 0.3 . 1 . . . . 135 ARG CD . 19608 1 1643 . 1 1 135 135 ARG N N 15 113.747 0.3 . 1 . . . . 135 ARG N . 19608 1 1644 . 1 1 136 136 LEU H H 1 7.4 0.02 . 1 . . . . 136 LEU H . 19608 1 1645 . 1 1 136 136 LEU HA H 1 4.098 0.02 . 1 . . . . 136 LEU HA . 19608 1 1646 . 1 1 136 136 LEU HB2 H 1 2.483 0.02 . 2 . . . . 136 LEU HB2 . 19608 1 1647 . 1 1 136 136 LEU HB3 H 1 1.705 0.02 . 2 . . . . 136 LEU HB3 . 19608 1 1648 . 1 1 136 136 LEU HG H 1 2.15 0.02 . 1 . . . . 136 LEU HG . 19608 1 1649 . 1 1 136 136 LEU HD11 H 1 1.266 0.02 . 1 . . . . 136 LEU HD1 . 19608 1 1650 . 1 1 136 136 LEU HD12 H 1 1.266 0.02 . 1 . . . . 136 LEU HD1 . 19608 1 1651 . 1 1 136 136 LEU HD13 H 1 1.266 0.02 . 1 . . . . 136 LEU HD1 . 19608 1 1652 . 1 1 136 136 LEU HD21 H 1 1.046 0.02 . 1 . . . . 136 LEU HD2 . 19608 1 1653 . 1 1 136 136 LEU HD22 H 1 1.046 0.02 . 1 . . . . 136 LEU HD2 . 19608 1 1654 . 1 1 136 136 LEU HD23 H 1 1.046 0.02 . 1 . . . . 136 LEU HD2 . 19608 1 1655 . 1 1 136 136 LEU C C 13 178.276 0.3 . 1 . . . . 136 LEU C . 19608 1 1656 . 1 1 136 136 LEU CA C 13 57.631 0.3 . 1 . . . . 136 LEU CA . 19608 1 1657 . 1 1 136 136 LEU CB C 13 41.245 0.3 . 1 . . . . 136 LEU CB . 19608 1 1658 . 1 1 136 136 LEU CG C 13 31.322 0.3 . 1 . . . . 136 LEU CG . 19608 1 1659 . 1 1 136 136 LEU CD1 C 13 26.751 0.3 . 1 . . . . 136 LEU CD1 . 19608 1 1660 . 1 1 136 136 LEU CD2 C 13 23.685 0.3 . 1 . . . . 136 LEU CD2 . 19608 1 1661 . 1 1 136 136 LEU N N 15 117.085 0.3 . 1 . . . . 136 LEU N . 19608 1 1662 . 1 1 137 137 LEU H H 1 7.858 0.02 . 1 . . . . 137 LEU H . 19608 1 1663 . 1 1 137 137 LEU HA H 1 4.737 0.02 . 1 . . . . 137 LEU HA . 19608 1 1664 . 1 1 137 137 LEU HB2 H 1 2.54 0.02 . 2 . . . . 137 LEU HB2 . 19608 1 1665 . 1 1 137 137 LEU HB3 H 1 1.685 0.02 . 2 . . . . 137 LEU HB3 . 19608 1 1666 . 1 1 137 137 LEU HG H 1 1.973 0.02 . 1 . . . . 137 LEU HG . 19608 1 1667 . 1 1 137 137 LEU HD11 H 1 0.219 0.02 . 1 . . . . 137 LEU HD1 . 19608 1 1668 . 1 1 137 137 LEU HD12 H 1 0.219 0.02 . 1 . . . . 137 LEU HD1 . 19608 1 1669 . 1 1 137 137 LEU HD13 H 1 0.219 0.02 . 1 . . . . 137 LEU HD1 . 19608 1 1670 . 1 1 137 137 LEU HD21 H 1 0.882 0.02 . 1 . . . . 137 LEU HD2 . 19608 1 1671 . 1 1 137 137 LEU HD22 H 1 0.882 0.02 . 1 . . . . 137 LEU HD2 . 19608 1 1672 . 1 1 137 137 LEU HD23 H 1 0.882 0.02 . 1 . . . . 137 LEU HD2 . 19608 1 1673 . 1 1 137 137 LEU C C 13 180.428 0.3 . 1 . . . . 137 LEU C . 19608 1 1674 . 1 1 137 137 LEU CA C 13 55.023 0.3 . 1 . . . . 137 LEU CA . 19608 1 1675 . 1 1 137 137 LEU CB C 13 42.194 0.3 . 1 . . . . 137 LEU CB . 19608 1 1676 . 1 1 137 137 LEU CG C 13 27.109 0.3 . 1 . . . . 137 LEU CG . 19608 1 1677 . 1 1 137 137 LEU CD1 C 13 26.691 0.3 . 1 . . . . 137 LEU CD1 . 19608 1 1678 . 1 1 137 137 LEU CD2 C 13 23.301 0.3 . 1 . . . . 137 LEU CD2 . 19608 1 1679 . 1 1 137 137 LEU N N 15 112.444 0.3 . 1 . . . . 137 LEU N . 19608 1 1680 . 1 1 138 138 TYR H H 1 8.136 0.02 . 1 . . . . 138 TYR H . 19608 1 1681 . 1 1 138 138 TYR HA H 1 4.61 0.02 . 1 . . . . 138 TYR HA . 19608 1 1682 . 1 1 138 138 TYR HB2 H 1 3.169 0.02 . 2 . . . . 138 TYR HB2 . 19608 1 1683 . 1 1 138 138 TYR HB3 H 1 3.729 0.02 . 2 . . . . 138 TYR HB3 . 19608 1 1684 . 1 1 138 138 TYR HD1 H 1 7.06 0.02 . 1 . . . . 138 TYR HD1 . 19608 1 1685 . 1 1 138 138 TYR HD2 H 1 7.06 0.02 . 1 . . . . 138 TYR HD2 . 19608 1 1686 . 1 1 138 138 TYR HE1 H 1 6.849 0.02 . 1 . . . . 138 TYR HE1 . 19608 1 1687 . 1 1 138 138 TYR HE2 H 1 6.849 0.02 . 1 . . . . 138 TYR HE2 . 19608 1 1688 . 1 1 138 138 TYR CA C 13 60.507 0.3 . 1 . . . . 138 TYR CA . 19608 1 1689 . 1 1 138 138 TYR CB C 13 42.721 0.3 . 1 . . . . 138 TYR CB . 19608 1 1690 . 1 1 138 138 TYR CD1 C 13 131.316 0.3 . 1 . . . . 138 TYR CD1 . 19608 1 1691 . 1 1 138 138 TYR CD2 C 13 131.316 0.3 . 1 . . . . 138 TYR CD2 . 19608 1 1692 . 1 1 138 138 TYR CE1 C 13 118 0.3 . 1 . . . . 138 TYR CE1 . 19608 1 1693 . 1 1 138 138 TYR CE2 C 13 118 0.3 . 1 . . . . 138 TYR CE2 . 19608 1 1694 . 1 1 138 138 TYR N N 15 120.879 0.3 . 1 . . . . 138 TYR N . 19608 1 1695 . 1 1 139 139 PRO HA H 1 4.286 0.02 . 1 . . . . 139 PRO HA . 19608 1 1696 . 1 1 139 139 PRO HB2 H 1 1.796 0.02 . 2 . . . . 139 PRO HB2 . 19608 1 1697 . 1 1 139 139 PRO HB3 H 1 2.063 0.02 . 2 . . . . 139 PRO HB3 . 19608 1 1698 . 1 1 139 139 PRO HG2 H 1 2.076 0.02 . 2 . . . . 139 PRO HG2 . 19608 1 1699 . 1 1 139 139 PRO HG3 H 1 1.811 0.02 . 2 . . . . 139 PRO HG3 . 19608 1 1700 . 1 1 139 139 PRO HD2 H 1 4.102 0.02 . 2 . . . . 139 PRO HD2 . 19608 1 1701 . 1 1 139 139 PRO HD3 H 1 3.912 0.02 . 2 . . . . 139 PRO HD3 . 19608 1 1702 . 1 1 139 139 PRO C C 13 177.439 0.3 . 1 . . . . 139 PRO C . 19608 1 1703 . 1 1 139 139 PRO CA C 13 65.858 0.3 . 1 . . . . 139 PRO CA . 19608 1 1704 . 1 1 139 139 PRO CB C 13 30.989 0.3 . 1 . . . . 139 PRO CB . 19608 1 1705 . 1 1 139 139 PRO CG C 13 28.716 0.3 . 1 . . . . 139 PRO CG . 19608 1 1706 . 1 1 139 139 PRO CD C 13 50.708 0.3 . 1 . . . . 139 PRO CD . 19608 1 1707 . 1 1 140 140 TYR H H 1 6.709 0.02 . 1 . . . . 140 TYR H . 19608 1 1708 . 1 1 140 140 TYR HA H 1 4.502 0.02 . 1 . . . . 140 TYR HA . 19608 1 1709 . 1 1 140 140 TYR HB2 H 1 3.534 0.02 . 2 . . . . 140 TYR HB2 . 19608 1 1710 . 1 1 140 140 TYR HB3 H 1 3.711 0.02 . 2 . . . . 140 TYR HB3 . 19608 1 1711 . 1 1 140 140 TYR HD1 H 1 6.981 0.02 . 3 . . . . 140 TYR HD1 . 19608 1 1712 . 1 1 140 140 TYR HD2 H 1 6.981 0.02 . 3 . . . . 140 TYR HD2 . 19608 1 1713 . 1 1 140 140 TYR HE1 H 1 6.833 0.02 . 3 . . . . 140 TYR HE1 . 19608 1 1714 . 1 1 140 140 TYR HE2 H 1 6.832 0.02 . 3 . . . . 140 TYR HE2 . 19608 1 1715 . 1 1 140 140 TYR C C 13 177.007 0.3 . 1 . . . . 140 TYR C . 19608 1 1716 . 1 1 140 140 TYR CA C 13 58.845 0.3 . 1 . . . . 140 TYR CA . 19608 1 1717 . 1 1 140 140 TYR CB C 13 38.198 0.3 . 1 . . . . 140 TYR CB . 19608 1 1718 . 1 1 140 140 TYR CD1 C 13 133.221 0.3 . 1 . . . . 140 TYR CD1 . 19608 1 1719 . 1 1 140 140 TYR CD2 C 13 133.221 0.3 . 1 . . . . 140 TYR CD2 . 19608 1 1720 . 1 1 140 140 TYR CE1 C 13 117.592 0.3 . 1 . . . . 140 TYR CE1 . 19608 1 1721 . 1 1 140 140 TYR CE2 C 13 117.592 0.3 . 1 . . . . 140 TYR CE2 . 19608 1 1722 . 1 1 140 140 TYR N N 15 116.624 0.3 . 1 . . . . 140 TYR N . 19608 1 1723 . 1 1 141 141 LEU H H 1 8.465 0.02 . 1 . . . . 141 LEU H . 19608 1 1724 . 1 1 141 141 LEU HA H 1 3.794 0.02 . 1 . . . . 141 LEU HA . 19608 1 1725 . 1 1 141 141 LEU HB2 H 1 2.142 0.02 . 2 . . . . 141 LEU HB2 . 19608 1 1726 . 1 1 141 141 LEU HB3 H 1 1.407 0.02 . 2 . . . . 141 LEU HB3 . 19608 1 1727 . 1 1 141 141 LEU HG H 1 1.118 0.02 . 1 . . . . 141 LEU HG . 19608 1 1728 . 1 1 141 141 LEU HD11 H 1 1.115 0.02 . 1 . . . . 141 LEU HD1 . 19608 1 1729 . 1 1 141 141 LEU HD12 H 1 1.115 0.02 . 1 . . . . 141 LEU HD1 . 19608 1 1730 . 1 1 141 141 LEU HD13 H 1 1.115 0.02 . 1 . . . . 141 LEU HD1 . 19608 1 1731 . 1 1 141 141 LEU HD21 H 1 0.736 0.02 . 1 . . . . 141 LEU HD2 . 19608 1 1732 . 1 1 141 141 LEU HD22 H 1 0.736 0.02 . 1 . . . . 141 LEU HD2 . 19608 1 1733 . 1 1 141 141 LEU HD23 H 1 0.736 0.02 . 1 . . . . 141 LEU HD2 . 19608 1 1734 . 1 1 141 141 LEU C C 13 179.46 0.3 . 1 . . . . 141 LEU C . 19608 1 1735 . 1 1 141 141 LEU CA C 13 58.468 0.3 . 1 . . . . 141 LEU CA . 19608 1 1736 . 1 1 141 141 LEU CB C 13 41.593 0.3 . 1 . . . . 141 LEU CB . 19608 1 1737 . 1 1 141 141 LEU CG C 13 25.949 0.3 . 1 . . . . 141 LEU CG . 19608 1 1738 . 1 1 141 141 LEU CD1 C 13 25.789 0.3 . 1 . . . . 141 LEU CD1 . 19608 1 1739 . 1 1 141 141 LEU CD2 C 13 22.421 0.3 . 1 . . . . 141 LEU CD2 . 19608 1 1740 . 1 1 141 141 LEU N N 15 118.3 0.3 . 1 . . . . 141 LEU N . 19608 1 1741 . 1 1 142 142 ALA H H 1 7.664 0.02 . 1 . . . . 142 ALA H . 19608 1 1742 . 1 1 142 142 ALA HA H 1 3.97 0.02 . 1 . . . . 142 ALA HA . 19608 1 1743 . 1 1 142 142 ALA HB1 H 1 1.483 0.02 . 1 . . . . 142 ALA HB . 19608 1 1744 . 1 1 142 142 ALA HB2 H 1 1.483 0.02 . 1 . . . . 142 ALA HB . 19608 1 1745 . 1 1 142 142 ALA HB3 H 1 1.483 0.02 . 1 . . . . 142 ALA HB . 19608 1 1746 . 1 1 142 142 ALA C C 13 178.896 0.3 . 1 . . . . 142 ALA C . 19608 1 1747 . 1 1 142 142 ALA CA C 13 55.612 0.3 . 1 . . . . 142 ALA CA . 19608 1 1748 . 1 1 142 142 ALA CB C 13 18.413 0.3 . 1 . . . . 142 ALA CB . 19608 1 1749 . 1 1 142 142 ALA N N 15 118.163 0.3 . 1 . . . . 142 ALA N . 19608 1 1750 . 1 1 143 143 TRP H H 1 8.34 0.02 . 1 . . . . 143 TRP H . 19608 1 1751 . 1 1 143 143 TRP HA H 1 4.353 0.02 . 1 . . . . 143 TRP HA . 19608 1 1752 . 1 1 143 143 TRP HB2 H 1 3.117 0.02 . 2 . . . . 143 TRP HB2 . 19608 1 1753 . 1 1 143 143 TRP HB3 H 1 2.89 0.02 . 2 . . . . 143 TRP HB3 . 19608 1 1754 . 1 1 143 143 TRP HD1 H 1 5.979 0.02 . 1 . . . . 143 TRP HD1 . 19608 1 1755 . 1 1 143 143 TRP HE1 H 1 8.509 0.02 . 1 . . . . 143 TRP HE1 . 19608 1 1756 . 1 1 143 143 TRP HZ2 H 1 5.62 0.02 . 1 . . . . 143 TRP HZ2 . 19608 1 1757 . 1 1 143 143 TRP C C 13 178.502 0.3 . 1 . . . . 143 TRP C . 19608 1 1758 . 1 1 143 143 TRP CA C 13 60.281 0.3 . 1 . . . . 143 TRP CA . 19608 1 1759 . 1 1 143 143 TRP CB C 13 30.322 0.3 . 1 . . . . 143 TRP CB . 19608 1 1760 . 1 1 143 143 TRP CD1 C 13 125.953 0.3 . 1 . . . . 143 TRP CD1 . 19608 1 1761 . 1 1 143 143 TRP CZ2 C 13 113.234 0.3 . 1 . . . . 143 TRP CZ2 . 19608 1 1762 . 1 1 143 143 TRP N N 15 118.182 0.3 . 1 . . . . 143 TRP N . 19608 1 1763 . 1 1 143 143 TRP NE1 N 15 123.869 0.3 . 1 . . . . 143 TRP NE1 . 19608 1 1764 . 1 1 144 144 LEU H H 1 9.026 0.02 . 1 . . . . 144 LEU H . 19608 1 1765 . 1 1 144 144 LEU HA H 1 3.812 0.02 . 1 . . . . 144 LEU HA . 19608 1 1766 . 1 1 144 144 LEU HB2 H 1 1.495 0.02 . 2 . . . . 144 LEU HB2 . 19608 1 1767 . 1 1 144 144 LEU HB3 H 1 1.911 0.02 . 2 . . . . 144 LEU HB3 . 19608 1 1768 . 1 1 144 144 LEU HG H 1 0.955 0.02 . 1 . . . . 144 LEU HG . 19608 1 1769 . 1 1 144 144 LEU HD11 H 1 0.217 0.02 . 1 . . . . 144 LEU HD1 . 19608 1 1770 . 1 1 144 144 LEU HD12 H 1 0.217 0.02 . 1 . . . . 144 LEU HD1 . 19608 1 1771 . 1 1 144 144 LEU HD13 H 1 0.217 0.02 . 1 . . . . 144 LEU HD1 . 19608 1 1772 . 1 1 144 144 LEU HD21 H 1 0.764 0.02 . 1 . . . . 144 LEU HD2 . 19608 1 1773 . 1 1 144 144 LEU HD22 H 1 0.764 0.02 . 1 . . . . 144 LEU HD2 . 19608 1 1774 . 1 1 144 144 LEU HD23 H 1 0.764 0.02 . 1 . . . . 144 LEU HD2 . 19608 1 1775 . 1 1 144 144 LEU C C 13 181.556 0.3 . 1 . . . . 144 LEU C . 19608 1 1776 . 1 1 144 144 LEU CA C 13 58.145 0.3 . 1 . . . . 144 LEU CA . 19608 1 1777 . 1 1 144 144 LEU CB C 13 41.518 0.3 . 1 . . . . 144 LEU CB . 19608 1 1778 . 1 1 144 144 LEU CG C 13 25.648 0.3 . 1 . . . . 144 LEU CG . 19608 1 1779 . 1 1 144 144 LEU CD1 C 13 25.854 0.3 . 1 . . . . 144 LEU CD1 . 19608 1 1780 . 1 1 144 144 LEU CD2 C 13 22.198 0.3 . 1 . . . . 144 LEU CD2 . 19608 1 1781 . 1 1 144 144 LEU N N 15 118.697 0.3 . 1 . . . . 144 LEU N . 19608 1 1782 . 1 1 145 145 ALA H H 1 8.105 0.02 . 1 . . . . 145 ALA H . 19608 1 1783 . 1 1 145 145 ALA HA H 1 3.998 0.02 . 1 . . . . 145 ALA HA . 19608 1 1784 . 1 1 145 145 ALA HB1 H 1 1.477 0.02 . 1 . . . . 145 ALA HB . 19608 1 1785 . 1 1 145 145 ALA HB2 H 1 1.477 0.02 . 1 . . . . 145 ALA HB . 19608 1 1786 . 1 1 145 145 ALA HB3 H 1 1.477 0.02 . 1 . . . . 145 ALA HB . 19608 1 1787 . 1 1 145 145 ALA C C 13 179.131 0.3 . 1 . . . . 145 ALA C . 19608 1 1788 . 1 1 145 145 ALA CA C 13 56.178 0.3 . 1 . . . . 145 ALA CA . 19608 1 1789 . 1 1 145 145 ALA CB C 13 17.658 0.3 . 1 . . . . 145 ALA CB . 19608 1 1790 . 1 1 145 145 ALA N N 15 124.237 0.3 . 1 . . . . 145 ALA N . 19608 1 1791 . 1 1 146 146 PHE H H 1 7.724 0.02 . 1 . . . . 146 PHE H . 19608 1 1792 . 1 1 146 146 PHE HA H 1 4.058 0.02 . 1 . . . . 146 PHE HA . 19608 1 1793 . 1 1 146 146 PHE HB2 H 1 2.825 0.02 . 2 . . . . 146 PHE HB2 . 19608 1 1794 . 1 1 146 146 PHE HB3 H 1 2.863 0.02 . 2 . . . . 146 PHE HB3 . 19608 1 1795 . 1 1 146 146 PHE HD1 H 1 6.396 0.02 . 3 . . . . 146 PHE HD1 . 19608 1 1796 . 1 1 146 146 PHE HD2 H 1 6.398 0.02 . 3 . . . . 146 PHE HD2 . 19608 1 1797 . 1 1 146 146 PHE HE1 H 1 7.063 0.02 . 1 . . . . 146 PHE HE1 . 19608 1 1798 . 1 1 146 146 PHE HE2 H 1 7.063 0.02 . 1 . . . . 146 PHE HE2 . 19608 1 1799 . 1 1 146 146 PHE HZ H 1 7.55 0.02 . 1 . . . . 146 PHE HZ . 19608 1 1800 . 1 1 146 146 PHE C C 13 177.317 0.3 . 1 . . . . 146 PHE C . 19608 1 1801 . 1 1 146 146 PHE CA C 13 61.114 0.3 . 1 . . . . 146 PHE CA . 19608 1 1802 . 1 1 146 146 PHE CB C 13 39.436 0.3 . 1 . . . . 146 PHE CB . 19608 1 1803 . 1 1 146 146 PHE CD1 C 13 131.686 0.3 . 1 . . . . 146 PHE CD1 . 19608 1 1804 . 1 1 146 146 PHE CD2 C 13 131.686 0.3 . 1 . . . . 146 PHE CD2 . 19608 1 1805 . 1 1 146 146 PHE CE1 C 13 130.927 0.3 . 1 . . . . 146 PHE CE1 . 19608 1 1806 . 1 1 146 146 PHE CE2 C 13 130.927 0.3 . 1 . . . . 146 PHE CE2 . 19608 1 1807 . 1 1 146 146 PHE CZ C 13 128.834 0.3 . 1 . . . . 146 PHE CZ . 19608 1 1808 . 1 1 146 146 PHE N N 15 118.344 0.3 . 1 . . . . 146 PHE N . 19608 1 1809 . 1 1 147 147 ALA H H 1 9.387 0.02 . 1 . . . . 147 ALA H . 19608 1 1810 . 1 1 147 147 ALA HA H 1 3.571 0.02 . 1 . . . . 147 ALA HA . 19608 1 1811 . 1 1 147 147 ALA HB1 H 1 1.358 0.02 . 1 . . . . 147 ALA HB . 19608 1 1812 . 1 1 147 147 ALA HB2 H 1 1.358 0.02 . 1 . . . . 147 ALA HB . 19608 1 1813 . 1 1 147 147 ALA HB3 H 1 1.358 0.02 . 1 . . . . 147 ALA HB . 19608 1 1814 . 1 1 147 147 ALA C C 13 179.272 0.3 . 1 . . . . 147 ALA C . 19608 1 1815 . 1 1 147 147 ALA CA C 13 55.089 0.3 . 1 . . . . 147 ALA CA . 19608 1 1816 . 1 1 147 147 ALA CB C 13 17.833 0.3 . 1 . . . . 147 ALA CB . 19608 1 1817 . 1 1 147 147 ALA N N 15 120.779 0.3 . 1 . . . . 147 ALA N . 19608 1 1818 . 1 1 148 148 THR H H 1 8.624 0.02 . 1 . . . . 148 THR H . 19608 1 1819 . 1 1 148 148 THR HA H 1 4.329 0.02 . 1 . . . . 148 THR HA . 19608 1 1820 . 1 1 148 148 THR HB H 1 3.487 0.02 . 1 . . . . 148 THR HB . 19608 1 1821 . 1 1 148 148 THR HG21 H 1 1.211 0.02 . 1 . . . . 148 THR HG2 . 19608 1 1822 . 1 1 148 148 THR HG22 H 1 1.211 0.02 . 1 . . . . 148 THR HG2 . 19608 1 1823 . 1 1 148 148 THR HG23 H 1 1.211 0.02 . 1 . . . . 148 THR HG2 . 19608 1 1824 . 1 1 148 148 THR C C 13 177.251 0.3 . 1 . . . . 148 THR C . 19608 1 1825 . 1 1 148 148 THR CA C 13 68.386 0.3 . 1 . . . . 148 THR CA . 19608 1 1826 . 1 1 148 148 THR CB C 13 68.087 0.3 . 1 . . . . 148 THR CB . 19608 1 1827 . 1 1 148 148 THR CG2 C 13 21.948 0.3 . 1 . . . . 148 THR CG2 . 19608 1 1828 . 1 1 148 148 THR N N 15 117.837 0.3 . 1 . . . . 148 THR N . 19608 1 1829 . 1 1 149 149 VAL H H 1 7.874 0.02 . 1 . . . . 149 VAL H . 19608 1 1830 . 1 1 149 149 VAL HA H 1 3.79 0.02 . 1 . . . . 149 VAL HA . 19608 1 1831 . 1 1 149 149 VAL HB H 1 2.438 0.02 . 1 . . . . 149 VAL HB . 19608 1 1832 . 1 1 149 149 VAL HG11 H 1 1.341 0.02 . 1 . . . . 149 VAL HG1 . 19608 1 1833 . 1 1 149 149 VAL HG12 H 1 1.341 0.02 . 1 . . . . 149 VAL HG1 . 19608 1 1834 . 1 1 149 149 VAL HG13 H 1 1.341 0.02 . 1 . . . . 149 VAL HG1 . 19608 1 1835 . 1 1 149 149 VAL HG21 H 1 1.215 0.02 . 1 . . . . 149 VAL HG2 . 19608 1 1836 . 1 1 149 149 VAL HG22 H 1 1.215 0.02 . 1 . . . . 149 VAL HG2 . 19608 1 1837 . 1 1 149 149 VAL HG23 H 1 1.215 0.02 . 1 . . . . 149 VAL HG2 . 19608 1 1838 . 1 1 149 149 VAL C C 13 179.065 0.3 . 1 . . . . 149 VAL C . 19608 1 1839 . 1 1 149 149 VAL CA C 13 67.988 0.3 . 1 . . . . 149 VAL CA . 19608 1 1840 . 1 1 149 149 VAL CB C 13 31.749 0.3 . 1 . . . . 149 VAL CB . 19608 1 1841 . 1 1 149 149 VAL CG1 C 13 23.215 0.3 . 1 . . . . 149 VAL CG1 . 19608 1 1842 . 1 1 149 149 VAL CG2 C 13 23.86 0.3 . 1 . . . . 149 VAL CG2 . 19608 1 1843 . 1 1 149 149 VAL N N 15 122.694 0.3 . 1 . . . . 149 VAL N . 19608 1 1844 . 1 1 150 150 LEU H H 1 8.504 0.02 . 1 . . . . 150 LEU H . 19608 1 1845 . 1 1 150 150 LEU HA H 1 4.214 0.02 . 1 . . . . 150 LEU HA . 19608 1 1846 . 1 1 150 150 LEU HB2 H 1 1.608 0.02 . 2 . . . . 150 LEU HB2 . 19608 1 1847 . 1 1 150 150 LEU HB3 H 1 1.636 0.02 . 2 . . . . 150 LEU HB3 . 19608 1 1848 . 1 1 150 150 LEU HG H 1 1.515 0.02 . 1 . . . . 150 LEU HG . 19608 1 1849 . 1 1 150 150 LEU HD11 H 1 0.516 0.02 . 1 . . . . 150 LEU HD1 . 19608 1 1850 . 1 1 150 150 LEU HD12 H 1 0.516 0.02 . 1 . . . . 150 LEU HD1 . 19608 1 1851 . 1 1 150 150 LEU HD13 H 1 0.516 0.02 . 1 . . . . 150 LEU HD1 . 19608 1 1852 . 1 1 150 150 LEU HD21 H 1 0.667 0.02 . 1 . . . . 150 LEU HD2 . 19608 1 1853 . 1 1 150 150 LEU HD22 H 1 0.667 0.02 . 1 . . . . 150 LEU HD2 . 19608 1 1854 . 1 1 150 150 LEU HD23 H 1 0.667 0.02 . 1 . . . . 150 LEU HD2 . 19608 1 1855 . 1 1 150 150 LEU C C 13 179.253 0.3 . 1 . . . . 150 LEU C . 19608 1 1856 . 1 1 150 150 LEU CA C 13 59.405 0.3 . 1 . . . . 150 LEU CA . 19608 1 1857 . 1 1 150 150 LEU CB C 13 42.136 0.3 . 1 . . . . 150 LEU CB . 19608 1 1858 . 1 1 150 150 LEU CG C 13 27.274 0.3 . 1 . . . . 150 LEU CG . 19608 1 1859 . 1 1 150 150 LEU CD1 C 13 24.924 0.3 . 1 . . . . 150 LEU CD1 . 19608 1 1860 . 1 1 150 150 LEU CD2 C 13 25.754 0.3 . 1 . . . . 150 LEU CD2 . 19608 1 1861 . 1 1 150 150 LEU N N 15 120.696 0.3 . 1 . . . . 150 LEU N . 19608 1 1862 . 1 1 151 151 ASN H H 1 9.342 0.02 . 1 . . . . 151 ASN H . 19608 1 1863 . 1 1 151 151 ASN HA H 1 4.551 0.02 . 1 . . . . 151 ASN HA . 19608 1 1864 . 1 1 151 151 ASN HB2 H 1 3.016 0.02 . 2 . . . . 151 ASN HB2 . 19608 1 1865 . 1 1 151 151 ASN HB3 H 1 3.439 0.02 . 2 . . . . 151 ASN HB3 . 19608 1 1866 . 1 1 151 151 ASN HD21 H 1 7.685 0.02 . 1 . . . . 151 ASN HD21 . 19608 1 1867 . 1 1 151 151 ASN HD22 H 1 6.978 0.02 . 1 . . . . 151 ASN HD22 . 19608 1 1868 . 1 1 151 151 ASN C C 13 180.409 0.3 . 1 . . . . 151 ASN C . 19608 1 1869 . 1 1 151 151 ASN CA C 13 56.511 0.3 . 1 . . . . 151 ASN CA . 19608 1 1870 . 1 1 151 151 ASN CB C 13 40.682 0.3 . 1 . . . . 151 ASN CB . 19608 1 1871 . 1 1 151 151 ASN N N 15 118.501 0.3 . 1 . . . . 151 ASN N . 19608 1 1872 . 1 1 151 151 ASN ND2 N 15 113.012 0.3 . 1 . . . . 151 ASN ND2 . 19608 1 1873 . 1 1 152 152 TYR H H 1 9.416 0.02 . 1 . . . . 152 TYR H . 19608 1 1874 . 1 1 152 152 TYR HA H 1 4.634 0.02 . 1 . . . . 152 TYR HA . 19608 1 1875 . 1 1 152 152 TYR HB2 H 1 3.309 0.02 . 2 . . . . 152 TYR HB2 . 19608 1 1876 . 1 1 152 152 TYR HB3 H 1 3.714 0.02 . 2 . . . . 152 TYR HB3 . 19608 1 1877 . 1 1 152 152 TYR HD1 H 1 6.989 0.02 . 3 . . . . 152 TYR HD1 . 19608 1 1878 . 1 1 152 152 TYR HD2 H 1 6.989 0.02 . 3 . . . . 152 TYR HD2 . 19608 1 1879 . 1 1 152 152 TYR C C 13 176.716 0.3 . 1 . . . . 152 TYR C . 19608 1 1880 . 1 1 152 152 TYR CA C 13 63.466 0.3 . 1 . . . . 152 TYR CA . 19608 1 1881 . 1 1 152 152 TYR CB C 13 37.907 0.3 . 1 . . . . 152 TYR CB . 19608 1 1882 . 1 1 152 152 TYR CD1 C 13 133.373 0.3 . 1 . . . . 152 TYR CD1 . 19608 1 1883 . 1 1 152 152 TYR CD2 C 13 133.373 0.3 . 1 . . . . 152 TYR CD2 . 19608 1 1884 . 1 1 152 152 TYR N N 15 124.936 0.3 . 1 . . . . 152 TYR N . 19608 1 1885 . 1 1 153 153 TYR H H 1 8.821 0.02 . 1 . . . . 153 TYR H . 19608 1 1886 . 1 1 153 153 TYR HA H 1 4.574 0.02 . 1 . . . . 153 TYR HA . 19608 1 1887 . 1 1 153 153 TYR HB2 H 1 3.819 0.02 . 2 . . . . 153 TYR HB2 . 19608 1 1888 . 1 1 153 153 TYR HB3 H 1 3.186 0.02 . 2 . . . . 153 TYR HB3 . 19608 1 1889 . 1 1 153 153 TYR HD1 H 1 6.986 0.02 . 1 . . . . 153 TYR HD1 . 19608 1 1890 . 1 1 153 153 TYR HD2 H 1 6.986 0.02 . 1 . . . . 153 TYR HD2 . 19608 1 1891 . 1 1 153 153 TYR HE1 H 1 6.813 0.02 . 1 . . . . 153 TYR HE1 . 19608 1 1892 . 1 1 153 153 TYR HE2 H 1 6.813 0.02 . 1 . . . . 153 TYR HE2 . 19608 1 1893 . 1 1 153 153 TYR C C 13 179.075 0.3 . 1 . . . . 153 TYR C . 19608 1 1894 . 1 1 153 153 TYR CA C 13 64.006 0.3 . 1 . . . . 153 TYR CA . 19608 1 1895 . 1 1 153 153 TYR CB C 13 38.986 0.3 . 1 . . . . 153 TYR CB . 19608 1 1896 . 1 1 153 153 TYR CD1 C 13 133.342 0.3 . 1 . . . . 153 TYR CD1 . 19608 1 1897 . 1 1 153 153 TYR CD2 C 13 132.021 0.3 . 1 . . . . 153 TYR CD2 . 19608 1 1898 . 1 1 153 153 TYR CE1 C 13 118.281 0.3 . 1 . . . . 153 TYR CE1 . 19608 1 1899 . 1 1 153 153 TYR CE2 C 13 118.281 0.3 . 1 . . . . 153 TYR CE2 . 19608 1 1900 . 1 1 153 153 TYR N N 15 120.438 0.3 . 1 . . . . 153 TYR N . 19608 1 1901 . 1 1 154 154 VAL H H 1 8.796 0.02 . 1 . . . . 154 VAL H . 19608 1 1902 . 1 1 154 154 VAL HA H 1 3.835 0.02 . 1 . . . . 154 VAL HA . 19608 1 1903 . 1 1 154 154 VAL HB H 1 2.452 0.02 . 1 . . . . 154 VAL HB . 19608 1 1904 . 1 1 154 154 VAL HG11 H 1 1.366 0.02 . 1 . . . . 154 VAL HG1 . 19608 1 1905 . 1 1 154 154 VAL HG12 H 1 1.366 0.02 . 1 . . . . 154 VAL HG1 . 19608 1 1906 . 1 1 154 154 VAL HG13 H 1 1.366 0.02 . 1 . . . . 154 VAL HG1 . 19608 1 1907 . 1 1 154 154 VAL HG21 H 1 1.447 0.02 . 1 . . . . 154 VAL HG2 . 19608 1 1908 . 1 1 154 154 VAL HG22 H 1 1.447 0.02 . 1 . . . . 154 VAL HG2 . 19608 1 1909 . 1 1 154 154 VAL HG23 H 1 1.447 0.02 . 1 . . . . 154 VAL HG2 . 19608 1 1910 . 1 1 154 154 VAL C C 13 179.695 0.3 . 1 . . . . 154 VAL C . 19608 1 1911 . 1 1 154 154 VAL CA C 13 67.307 0.3 . 1 . . . . 154 VAL CA . 19608 1 1912 . 1 1 154 154 VAL CB C 13 32.699 0.3 . 1 . . . . 154 VAL CB . 19608 1 1913 . 1 1 154 154 VAL CG1 C 13 23.396 0.3 . 1 . . . . 154 VAL CG1 . 19608 1 1914 . 1 1 154 154 VAL CG2 C 13 23.481 0.3 . 1 . . . . 154 VAL CG2 . 19608 1 1915 . 1 1 154 154 VAL N N 15 116.506 0.3 . 1 . . . . 154 VAL N . 19608 1 1916 . 1 1 155 155 TRP H H 1 8.676 0.02 . 1 . . . . 155 TRP H . 19608 1 1917 . 1 1 155 155 TRP HA H 1 4.55 0.02 . 1 . . . . 155 TRP HA . 19608 1 1918 . 1 1 155 155 TRP HB2 H 1 3.857 0.02 . 2 . . . . 155 TRP HB2 . 19608 1 1919 . 1 1 155 155 TRP HB3 H 1 3.476 0.02 . 2 . . . . 155 TRP HB3 . 19608 1 1920 . 1 1 155 155 TRP HD1 H 1 7.221 0.02 . 1 . . . . 155 TRP HD1 . 19608 1 1921 . 1 1 155 155 TRP HE1 H 1 10.873 0.02 . 1 . . . . 155 TRP HE1 . 19608 1 1922 . 1 1 155 155 TRP HZ2 H 1 7.534 0.02 . 1 . . . . 155 TRP HZ2 . 19608 1 1923 . 1 1 155 155 TRP C C 13 178.549 0.3 . 1 . . . . 155 TRP C . 19608 1 1924 . 1 1 155 155 TRP CA C 13 61.306 0.3 . 1 . . . . 155 TRP CA . 19608 1 1925 . 1 1 155 155 TRP CB C 13 28.335 0.3 . 1 . . . . 155 TRP CB . 19608 1 1926 . 1 1 155 155 TRP CD1 C 13 126.446 0.3 . 1 . . . . 155 TRP CD1 . 19608 1 1927 . 1 1 155 155 TRP CZ2 C 13 113.707 0.3 . 1 . . . . 155 TRP CZ2 . 19608 1 1928 . 1 1 155 155 TRP N N 15 122.156 0.3 . 1 . . . . 155 TRP N . 19608 1 1929 . 1 1 155 155 TRP NE1 N 15 110.657 0.3 . 1 . . . . 155 TRP NE1 . 19608 1 1930 . 1 1 156 156 ARG H H 1 9.071 0.02 . 1 . . . . 156 ARG H . 19608 1 1931 . 1 1 156 156 ARG HA H 1 3.016 0.02 . 1 . . . . 156 ARG HA . 19608 1 1932 . 1 1 156 156 ARG HB2 H 1 1.335 0.02 . 2 . . . . 156 ARG HB2 . 19608 1 1933 . 1 1 156 156 ARG HB3 H 1 1.647 0.02 . 2 . . . . 156 ARG HB3 . 19608 1 1934 . 1 1 156 156 ARG HG2 H 1 1.525 0.02 . 2 . . . . 156 ARG HG2 . 19608 1 1935 . 1 1 156 156 ARG HG3 H 1 1.301 0.02 . 2 . . . . 156 ARG HG3 . 19608 1 1936 . 1 1 156 156 ARG HD2 H 1 3.139 0.02 . 2 . . . . 156 ARG HD2 . 19608 1 1937 . 1 1 156 156 ARG HD3 H 1 2.837 0.02 . 2 . . . . 156 ARG HD3 . 19608 1 1938 . 1 1 156 156 ARG C C 13 179.817 0.3 . 1 . . . . 156 ARG C . 19608 1 1939 . 1 1 156 156 ARG CA C 13 59.373 0.3 . 1 . . . . 156 ARG CA . 19608 1 1940 . 1 1 156 156 ARG CB C 13 30.535 0.3 . 1 . . . . 156 ARG CB . 19608 1 1941 . 1 1 156 156 ARG CG C 13 25.901 0.3 . 1 . . . . 156 ARG CG . 19608 1 1942 . 1 1 156 156 ARG CD C 13 43.565 0.3 . 1 . . . . 156 ARG CD . 19608 1 1943 . 1 1 156 156 ARG N N 15 120.801 0.3 . 1 . . . . 156 ARG N . 19608 1 1944 . 1 1 157 157 ASP H H 1 8.379 0.02 . 1 . . . . 157 ASP H . 19608 1 1945 . 1 1 157 157 ASP HA H 1 4.623 0.02 . 1 . . . . 157 ASP HA . 19608 1 1946 . 1 1 157 157 ASP HB2 H 1 2.579 0.02 . 2 . . . . 157 ASP HB2 . 19608 1 1947 . 1 1 157 157 ASP HB3 H 1 2.768 0.02 . 2 . . . . 157 ASP HB3 . 19608 1 1948 . 1 1 157 157 ASP C C 13 177.609 0.3 . 1 . . . . 157 ASP C . 19608 1 1949 . 1 1 157 157 ASP CA C 13 56.404 0.3 . 1 . . . . 157 ASP CA . 19608 1 1950 . 1 1 157 157 ASP CB C 13 41.473 0.3 . 1 . . . . 157 ASP CB . 19608 1 1951 . 1 1 157 157 ASP N N 15 114.951 0.3 . 1 . . . . 157 ASP N . 19608 1 1952 . 1 1 158 158 ASN H H 1 7.374 0.02 . 1 . . . . 158 ASN H . 19608 1 1953 . 1 1 158 158 ASN HA H 1 5.153 0.02 . 1 . . . . 158 ASN HA . 19608 1 1954 . 1 1 158 158 ASN HB2 H 1 2.756 0.02 . 2 . . . . 158 ASN HB2 . 19608 1 1955 . 1 1 158 158 ASN HB3 H 1 2.803 0.02 . 2 . . . . 158 ASN HB3 . 19608 1 1956 . 1 1 158 158 ASN HD21 H 1 7.679 0.02 . 1 . . . . 158 ASN HD21 . 19608 1 1957 . 1 1 158 158 ASN HD22 H 1 6.925 0.02 . 1 . . . . 158 ASN HD22 . 19608 1 1958 . 1 1 158 158 ASN C C 13 175.203 0.3 . 1 . . . . 158 ASN C . 19608 1 1959 . 1 1 158 158 ASN CA C 13 53.885 0.3 . 1 . . . . 158 ASN CA . 19608 1 1960 . 1 1 158 158 ASN CB C 13 41.699 0.3 . 1 . . . . 158 ASN CB . 19608 1 1961 . 1 1 158 158 ASN N N 15 114.828 0.3 . 1 . . . . 158 ASN N . 19608 1 1962 . 1 1 158 158 ASN ND2 N 15 112.885 0.3 . 1 . . . . 158 ASN ND2 . 19608 1 1963 . 1 1 159 159 SER H H 1 7.788 0.02 . 1 . . . . 159 SER H . 19608 1 1964 . 1 1 159 159 SER HA H 1 4.541 0.02 . 1 . . . . 159 SER HA . 19608 1 1965 . 1 1 159 159 SER HB2 H 1 3.831 0.02 . 2 . . . . 159 SER HB2 . 19608 1 1966 . 1 1 159 159 SER HB3 H 1 3.864 0.02 . 2 . . . . 159 SER HB3 . 19608 1 1967 . 1 1 159 159 SER C C 13 175.785 0.3 . 1 . . . . 159 SER C . 19608 1 1968 . 1 1 159 159 SER CA C 13 59.975 0.3 . 1 . . . . 159 SER CA . 19608 1 1969 . 1 1 159 159 SER CB C 13 64.295 0.3 . 1 . . . . 159 SER CB . 19608 1 1970 . 1 1 159 159 SER N N 15 115.766 0.3 . 1 . . . . 159 SER N . 19608 1 1971 . 1 1 160 160 GLY H H 1 8.559 0.02 . 1 . . . . 160 GLY H . 19608 1 1972 . 1 1 160 160 GLY HA2 H 1 3.986 0.02 . 2 . . . . 160 GLY HA2 . 19608 1 1973 . 1 1 160 160 GLY HA3 H 1 3.824 0.02 . 2 . . . . 160 GLY HA3 . 19608 1 1974 . 1 1 160 160 GLY C C 13 175.193 0.3 . 1 . . . . 160 GLY C . 19608 1 1975 . 1 1 160 160 GLY CA C 13 45.747 0.3 . 1 . . . . 160 GLY CA . 19608 1 1976 . 1 1 160 160 GLY N N 15 111.058 0.3 . 1 . . . . 160 GLY N . 19608 1 1977 . 1 1 161 161 ARG H H 1 8.089 0.02 . 1 . . . . 161 ARG H . 19608 1 1978 . 1 1 161 161 ARG HA H 1 4.43 0.02 . 1 . . . . 161 ARG HA . 19608 1 1979 . 1 1 161 161 ARG HB2 H 1 1.947 0.02 . 2 . . . . 161 ARG HB2 . 19608 1 1980 . 1 1 161 161 ARG HB3 H 1 1.816 0.02 . 2 . . . . 161 ARG HB3 . 19608 1 1981 . 1 1 161 161 ARG HG2 H 1 1.686 0.02 . 2 . . . . 161 ARG HG2 . 19608 1 1982 . 1 1 161 161 ARG HG3 H 1 1.708 0.02 . 2 . . . . 161 ARG HG3 . 19608 1 1983 . 1 1 161 161 ARG HD2 H 1 3.263 0.02 . 2 . . . . 161 ARG HD2 . 19608 1 1984 . 1 1 161 161 ARG HD3 H 1 3.244 0.02 . 2 . . . . 161 ARG HD3 . 19608 1 1985 . 1 1 161 161 ARG C C 13 175.137 0.3 . 1 . . . . 161 ARG C . 19608 1 1986 . 1 1 161 161 ARG CA C 13 56.627 0.3 . 1 . . . . 161 ARG CA . 19608 1 1987 . 1 1 161 161 ARG CB C 13 31.06 0.3 . 1 . . . . 161 ARG CB . 19608 1 1988 . 1 1 161 161 ARG CG C 13 27.49 0.3 . 1 . . . . 161 ARG CG . 19608 1 1989 . 1 1 161 161 ARG CD C 13 43.661 0.3 . 1 . . . . 161 ARG CD . 19608 1 1990 . 1 1 161 161 ARG N N 15 120.95 0.3 . 1 . . . . 161 ARG N . 19608 1 1991 . 1 1 162 162 ARG H H 1 8.078 0.02 . 1 . . . . 162 ARG H . 19608 1 1992 . 1 1 162 162 ARG HA H 1 4.418 0.02 . 1 . . . . 162 ARG HA . 19608 1 1993 . 1 1 162 162 ARG HB2 H 1 1.83 0.02 . 2 . . . . 162 ARG HB2 . 19608 1 1994 . 1 1 162 162 ARG HB3 H 1 1.943 0.02 . 2 . . . . 162 ARG HB3 . 19608 1 1995 . 1 1 162 162 ARG HG2 H 1 1.66 0.02 . 2 . . . . 162 ARG HG2 . 19608 1 1996 . 1 1 162 162 ARG HG3 H 1 1.695 0.02 . 2 . . . . 162 ARG HG3 . 19608 1 1997 . 1 1 162 162 ARG HD2 H 1 3.264 0.02 . 2 . . . . 162 ARG HD2 . 19608 1 1998 . 1 1 162 162 ARG HD3 H 1 3.254 0.02 . 2 . . . . 162 ARG HD3 . 19608 1 1999 . 1 1 162 162 ARG C C 13 176.293 0.3 . 1 . . . . 162 ARG C . 19608 1 2000 . 1 1 162 162 ARG CA C 13 56.636 0.3 . 1 . . . . 162 ARG CA . 19608 1 2001 . 1 1 162 162 ARG CB C 13 30.986 0.3 . 1 . . . . 162 ARG CB . 19608 1 2002 . 1 1 162 162 ARG CG C 13 27.541 0.3 . 1 . . . . 162 ARG CG . 19608 1 2003 . 1 1 162 162 ARG CD C 13 43.612 0.3 . 1 . . . . 162 ARG CD . 19608 1 2004 . 1 1 162 162 ARG N N 15 120.869 0.3 . 1 . . . . 162 ARG N . 19608 1 2005 . 1 1 163 163 GLY H H 1 8.483 0.02 . 1 . . . . 163 GLY H . 19608 1 2006 . 1 1 163 163 GLY HA2 H 1 4.074 0.02 . 2 . . . . 163 GLY HA2 . 19608 1 2007 . 1 1 163 163 GLY HA3 H 1 4.087 0.02 . 2 . . . . 163 GLY HA3 . 19608 1 2008 . 1 1 163 163 GLY C C 13 176.65 0.3 . 1 . . . . 163 GLY C . 19608 1 2009 . 1 1 163 163 GLY CA C 13 45.803 0.3 . 1 . . . . 163 GLY CA . 19608 1 2010 . 1 1 163 163 GLY N N 15 110.347 0.3 . 1 . . . . 163 GLY N . 19608 1 2011 . 1 1 164 164 GLY H H 1 8.378 0.02 . 1 . . . . 164 GLY H . 19608 1 2012 . 1 1 164 164 GLY HA2 H 1 4.105 0.02 . 2 . . . . 164 GLY HA2 . 19608 1 2013 . 1 1 164 164 GLY HA3 H 1 4.093 0.02 . 2 . . . . 164 GLY HA3 . 19608 1 2014 . 1 1 164 164 GLY C C 13 175.062 0.3 . 1 . . . . 164 GLY C . 19608 1 2015 . 1 1 164 164 GLY CA C 13 45.702 0.3 . 1 . . . . 164 GLY CA . 19608 1 2016 . 1 1 164 164 GLY N N 15 109.137 0.3 . 1 . . . . 164 GLY N . 19608 1 2017 . 1 1 165 165 SER H H 1 8.301 0.02 . 1 . . . . 165 SER H . 19608 1 2018 . 1 1 165 165 SER HA H 1 4.469 0.02 . 1 . . . . 165 SER HA . 19608 1 2019 . 1 1 165 165 SER HB2 H 1 3.952 0.02 . 2 . . . . 165 SER HB2 . 19608 1 2020 . 1 1 165 165 SER HB3 H 1 4.005 0.02 . 2 . . . . 165 SER HB3 . 19608 1 2021 . 1 1 165 165 SER C C 13 175.344 0.3 . 1 . . . . 165 SER C . 19608 1 2022 . 1 1 165 165 SER CA C 13 58.845 0.3 . 1 . . . . 165 SER CA . 19608 1 2023 . 1 1 165 165 SER CB C 13 64.443 0.3 . 1 . . . . 165 SER CB . 19608 1 2024 . 1 1 165 165 SER N N 15 115.865 0.3 . 1 . . . . 165 SER N . 19608 1 2025 . 1 1 166 166 ARG H H 1 8.473 0.02 . 1 . . . . 166 ARG H . 19608 1 2026 . 1 1 166 166 ARG HA H 1 4.46 0.02 . 1 . . . . 166 ARG HA . 19608 1 2027 . 1 1 166 166 ARG HB2 H 1 1.879 0.02 . 2 . . . . 166 ARG HB2 . 19608 1 2028 . 1 1 166 166 ARG HB3 H 1 1.988 0.02 . 2 . . . . 166 ARG HB3 . 19608 1 2029 . 1 1 166 166 ARG HG2 H 1 1.72 0.02 . 2 . . . . 166 ARG HG2 . 19608 1 2030 . 1 1 166 166 ARG HG3 H 1 1.738 0.02 . 2 . . . . 166 ARG HG3 . 19608 1 2031 . 1 1 166 166 ARG HD2 H 1 3.296 0.02 . 2 . . . . 166 ARG HD2 . 19608 1 2032 . 1 1 166 166 ARG HD3 H 1 3.309 0.02 . 2 . . . . 166 ARG HD3 . 19608 1 2033 . 1 1 166 166 ARG C C 13 176.876 0.3 . 1 . . . . 166 ARG C . 19608 1 2034 . 1 1 166 166 ARG CA C 13 56.65 0.3 . 1 . . . . 166 ARG CA . 19608 1 2035 . 1 1 166 166 ARG CB C 13 31.12 0.3 . 1 . . . . 166 ARG CB . 19608 1 2036 . 1 1 166 166 ARG CG C 13 27.629 0.3 . 1 . . . . 166 ARG CG . 19608 1 2037 . 1 1 166 166 ARG CD C 13 43.66 0.3 . 1 . . . . 166 ARG CD . 19608 1 2038 . 1 1 166 166 ARG N N 15 123.093 0.3 . 1 . . . . 166 ARG N . 19608 1 2039 . 1 1 167 167 LEU H H 1 8.323 0.02 . 1 . . . . 167 LEU H . 19608 1 2040 . 1 1 167 167 LEU HA H 1 4.432 0.02 . 1 . . . . 167 LEU HA . 19608 1 2041 . 1 1 167 167 LEU HB2 H 1 1.713 0.02 . 2 . . . . 167 LEU HB2 . 19608 1 2042 . 1 1 167 167 LEU HB3 H 1 1.739 0.02 . 2 . . . . 167 LEU HB3 . 19608 1 2043 . 1 1 167 167 LEU HG H 1 1.725 0.02 . 1 . . . . 167 LEU HG . 19608 1 2044 . 1 1 167 167 LEU HD11 H 1 0.98 0.02 . 1 . . . . 167 LEU HD1 . 19608 1 2045 . 1 1 167 167 LEU HD12 H 1 0.98 0.02 . 1 . . . . 167 LEU HD1 . 19608 1 2046 . 1 1 167 167 LEU HD13 H 1 0.98 0.02 . 1 . . . . 167 LEU HD1 . 19608 1 2047 . 1 1 167 167 LEU HD21 H 1 1.032 0.02 . 1 . . . . 167 LEU HD2 . 19608 1 2048 . 1 1 167 167 LEU HD22 H 1 1.032 0.02 . 1 . . . . 167 LEU HD2 . 19608 1 2049 . 1 1 167 167 LEU HD23 H 1 1.032 0.02 . 1 . . . . 167 LEU HD2 . 19608 1 2050 . 1 1 167 167 LEU C C 13 177.533 0.3 . 1 . . . . 167 LEU C . 19608 1 2051 . 1 1 167 167 LEU CA C 13 55.7 0.3 . 1 . . . . 167 LEU CA . 19608 1 2052 . 1 1 167 167 LEU CB C 13 42.78 0.3 . 1 . . . . 167 LEU CB . 19608 1 2053 . 1 1 167 167 LEU CG C 13 27.566 0.3 . 1 . . . . 167 LEU CG . 19608 1 2054 . 1 1 167 167 LEU CD1 C 13 23.925 0.3 . 1 . . . . 167 LEU CD1 . 19608 1 2055 . 1 1 167 167 LEU CD2 C 13 25.445 0.3 . 1 . . . . 167 LEU CD2 . 19608 1 2056 . 1 1 167 167 LEU N N 15 123.312 0.3 . 1 . . . . 167 LEU N . 19608 1 2057 . 1 1 168 168 ALA H H 1 8.221 0.02 . 1 . . . . 168 ALA H . 19608 1 2058 . 1 1 168 168 ALA HA H 1 4.459 0.02 . 1 . . . . 168 ALA HA . 19608 1 2059 . 1 1 168 168 ALA HB1 H 1 1.482 0.02 . 1 . . . . 168 ALA HB . 19608 1 2060 . 1 1 168 168 ALA HB2 H 1 1.482 0.02 . 1 . . . . 168 ALA HB . 19608 1 2061 . 1 1 168 168 ALA HB3 H 1 1.482 0.02 . 1 . . . . 168 ALA HB . 19608 1 2062 . 1 1 168 168 ALA C C 13 177.111 0.3 . 1 . . . . 168 ALA C . 19608 1 2063 . 1 1 168 168 ALA CA C 13 52.638 0.3 . 1 . . . . 168 ALA CA . 19608 1 2064 . 1 1 168 168 ALA CB C 13 19.727 0.3 . 1 . . . . 168 ALA CB . 19608 1 2065 . 1 1 168 168 ALA N N 15 124.906 0.3 . 1 . . . . 168 ALA N . 19608 1 2066 . 1 1 169 169 GLU H H 1 7.911 0.02 . 1 . . . . 169 GLU H . 19608 1 2067 . 1 1 169 169 GLU HA H 1 4.219 0.02 . 1 . . . . 169 GLU HA . 19608 1 2068 . 1 1 169 169 GLU HB2 H 1 1.994 0.02 . 2 . . . . 169 GLU HB2 . 19608 1 2069 . 1 1 169 169 GLU HB3 H 1 2.151 0.02 . 2 . . . . 169 GLU HB3 . 19608 1 2070 . 1 1 169 169 GLU HG2 H 1 2.293 0.02 . 2 . . . . 169 GLU HG2 . 19608 1 2071 . 1 1 169 169 GLU HG3 H 1 2.308 0.02 . 2 . . . . 169 GLU HG3 . 19608 1 2072 . 1 1 169 169 GLU CA C 13 58.476 0.3 . 1 . . . . 169 GLU CA . 19608 1 2073 . 1 1 169 169 GLU CB C 13 31.79 0.3 . 1 . . . . 169 GLU CB . 19608 1 2074 . 1 1 169 169 GLU CG C 13 37.15 0.3 . 1 . . . . 169 GLU CG . 19608 1 2075 . 1 1 169 169 GLU N N 15 125.764 0.3 . 1 . . . . 169 GLU N . 19608 1 stop_ save_