data_19045 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19045 _Entry.Title ; The NMR structure of the BID-BAK complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-19 _Entry.Accession_date 2013-02-19 _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 . _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 Christy Grace . R. . 19045 2 Richard Kriwacki . W. . 19045 3 Douglas Green . R. . 19045 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' . 19045 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BCL-2 family effector BAK' . 19045 'BH3-only protein BID' . 19045 'effector direct activation' . 19045 'mitochondrial outer membrane premeabilization and apoptosis' . 19045 'NMR solution structure of BID-BAK' . 19045 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19045 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 19045 '15N chemical shifts' 176 19045 '1H chemical shifts' 1363 19045 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 . . 2013-05-08 2013-02-19 update BMRB 'update entry citation' 19045 1 . . 2013-04-15 2013-02-19 original author 'original release' 19045 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2BID 'NMR strucuture of apo human BID' 19045 PDB 2IMT 'X-ray structure of human apo BAK' 19045 PDB 2M5B 'BMRB Entry Tracking System' 19045 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19045 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23604079 _Citation.Full_citation . _Citation.Title 'BID-induced structural changes in BAK promote apoptosis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 20 _Citation.Journal_issue 5 _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 589 _Citation.Page_last 597 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tudor Moldoveanu . . . 19045 1 2 Christy Grace . R. . 19045 1 3 Fabien Llambi . . . 19045 1 4 Amanda Nourse . . . 19045 1 5 Patrick Fitzgerald . . . 19045 1 6 Kalle Gehring . . . 19045 1 7 Richard Kriwacki . W. . 19045 1 8 Douglas Green . R. . 19045 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19045 _Assembly.ID 1 _Assembly.Name 'BID-BAK complex' _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 human_cBAK 1 $human_cBAK A . yes native no no . . . 19045 1 2 human_BID_BH3_SAHB 2 $human_BID_BH3_SAHB B . yes native no no . . . 19045 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_cBAK _Entity.Sf_category entity _Entity.Sf_framecode human_cBAK _Entity.Entry_ID 19045 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_cBAK _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 ; ALPSASEEQVAQDTEEVFRS YVFYRHQQEQEAEGVAAPAD PEMVTLPLQPSSTMGQVGRQ LAIIGDDINRRYDSEFQTML QHLQPTAENAYEYFTKIATS LFESGINWGRVVALLGFGYR LALHVYQHGLTGFLGQVTRF VVDFMLHHCIARWIAQRGGW VAALNLGNG ; _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18950.404 _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 yes GB AAA74466 . "Bak protein [Homo sapiens]" . . . . . . . . . . . . . . 19045 1 2 no PDB 2IMS . "The X-Ray Structure Of A Bak Homodimer Reveals An Inhibitory Zinc Binding Site" . . . . . 100.00 171 97.63 97.63 2.48e-116 . . . . 19045 1 3 no PDB 2IMT . "The X-Ray Structure Of A Bak Homodimer Reveals An Inhibitory Zinc Binding Site" . . . . . 100.00 171 100.00 100.00 1.46e-120 . . . . 19045 1 4 no PDB 2JCN . "The Crystal Structure Of Bak1 - A Mitochondrial Apoptosis Regulator" . . . . . 98.22 172 100.00 100.00 2.78e-118 . . . . 19045 1 5 no PDB 2M5B . "The Nmr Structure Of The Bid-bak Complex" . . . . . 100.00 169 100.00 100.00 9.59e-121 . . . . 19045 1 6 no PDB 2YV6 . "Crystal Structure Of Human Bcl-2 Family Protein Bak" . . . . . 96.45 163 97.55 97.55 5.45e-112 . . . . 19045 1 7 no PDB 4U2U . "Bak Domain Swapped Dimer Induced By Bidbh3 With Chaps" . . . . . 99.41 169 98.21 98.21 2.85e-116 . . . . 19045 1 8 no DBJ BAA13606 . "apotosis-regulator [Homo sapiens]" . . . . . 53.85 111 100.00 100.00 4.86e-59 . . . . 19045 1 9 no DBJ BAF84782 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 211 99.41 99.41 8.94e-119 . . . . 19045 1 10 no DBJ BAG52419 . "unnamed protein product [Homo sapiens]" . . . . . 68.64 141 100.00 100.00 5.42e-79 . . . . 19045 1 11 no DBJ BAG57025 . "unnamed protein product [Homo sapiens]" . . . . . 97.63 191 100.00 100.00 1.88e-117 . . . . 19045 1 12 no DBJ BAG64474 . "unnamed protein product [Homo sapiens]" . . . . . 58.58 141 100.00 100.00 1.68e-63 . . . . 19045 1 13 no EMBL CAA58997 . "bcl-2 homologue [Homo sapiens]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 14 no EMBL CAG33700 . "BAK1 [Homo sapiens]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 15 no EMBL CAI46254 . "hypothetical protein [Homo sapiens]" . . . . . 102.96 216 97.13 97.13 3.41e-114 . . . . 19045 1 16 no GB AAA74466 . "Bak protein [Homo sapiens]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 17 no GB AAA93066 . "Bak protein [Homo sapiens]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 18 no GB AAH04431 . "BCL2-antagonist/killer 1 [Homo sapiens]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 19 no GB AAO74828 . "BCL2-antagonist/killer 1 [Homo sapiens]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 20 no GB AAX32376 . "BCL2-antagonist/killer 1 [synthetic construct]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 21 no PRF 2110382A . "bak gene" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 22 no PRF 2110383A . "bak gene" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 23 no PRF 2110384A . "bak gene" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 24 no REF NP_001179 . "bcl-2 homologous antagonist/killer [Homo sapiens]" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 1 25 no REF NP_001253660 . "bcl-2 homologous antagonist/killer [Macaca mulatta]" . . . . . 100.00 211 97.63 98.82 5.20e-117 . . . . 19045 1 26 no REF XP_003808607 . "PREDICTED: bcl-2 homologous antagonist/killer [Pan paniscus]" . . . . . 100.00 211 99.41 99.41 3.23e-119 . . . . 19045 1 27 no REF XP_003897507 . "PREDICTED: bcl-2 homologous antagonist/killer isoform X1 [Papio anubis]" . . . . . 100.00 211 97.04 98.22 5.94e-116 . . . . 19045 1 28 no REF XP_003897509 . "PREDICTED: bcl-2 homologous antagonist/killer isoform X2 [Papio anubis]" . . . . . 75.15 152 97.64 98.43 4.98e-85 . . . . 19045 1 29 no SP Q16611 . "RecName: Full=Bcl-2 homologous antagonist/killer; AltName: Full=Apoptosis regulator BAK; AltName: Full=Bcl-2-like protein 7; Sh" . . . . . 100.00 211 100.00 100.00 7.90e-120 . . . . 19045 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 18 ALA . 19045 1 2 19 LEU . 19045 1 3 20 PRO . 19045 1 4 21 SER . 19045 1 5 22 ALA . 19045 1 6 23 SER . 19045 1 7 24 GLU . 19045 1 8 25 GLU . 19045 1 9 26 GLN . 19045 1 10 27 VAL . 19045 1 11 28 ALA . 19045 1 12 29 GLN . 19045 1 13 30 ASP . 19045 1 14 31 THR . 19045 1 15 32 GLU . 19045 1 16 33 GLU . 19045 1 17 34 VAL . 19045 1 18 35 PHE . 19045 1 19 36 ARG . 19045 1 20 37 SER . 19045 1 21 38 TYR . 19045 1 22 39 VAL . 19045 1 23 40 PHE . 19045 1 24 41 TYR . 19045 1 25 42 ARG . 19045 1 26 43 HIS . 19045 1 27 44 GLN . 19045 1 28 45 GLN . 19045 1 29 46 GLU . 19045 1 30 47 GLN . 19045 1 31 48 GLU . 19045 1 32 49 ALA . 19045 1 33 50 GLU . 19045 1 34 51 GLY . 19045 1 35 52 VAL . 19045 1 36 53 ALA . 19045 1 37 54 ALA . 19045 1 38 55 PRO . 19045 1 39 56 ALA . 19045 1 40 57 ASP . 19045 1 41 58 PRO . 19045 1 42 59 GLU . 19045 1 43 60 MET . 19045 1 44 61 VAL . 19045 1 45 62 THR . 19045 1 46 63 LEU . 19045 1 47 64 PRO . 19045 1 48 65 LEU . 19045 1 49 66 GLN . 19045 1 50 67 PRO . 19045 1 51 68 SER . 19045 1 52 69 SER . 19045 1 53 70 THR . 19045 1 54 71 MET . 19045 1 55 72 GLY . 19045 1 56 73 GLN . 19045 1 57 74 VAL . 19045 1 58 75 GLY . 19045 1 59 76 ARG . 19045 1 60 77 GLN . 19045 1 61 78 LEU . 19045 1 62 79 ALA . 19045 1 63 80 ILE . 19045 1 64 81 ILE . 19045 1 65 82 GLY . 19045 1 66 83 ASP . 19045 1 67 84 ASP . 19045 1 68 85 ILE . 19045 1 69 86 ASN . 19045 1 70 87 ARG . 19045 1 71 88 ARG . 19045 1 72 89 TYR . 19045 1 73 90 ASP . 19045 1 74 91 SER . 19045 1 75 92 GLU . 19045 1 76 93 PHE . 19045 1 77 94 GLN . 19045 1 78 95 THR . 19045 1 79 96 MET . 19045 1 80 97 LEU . 19045 1 81 98 GLN . 19045 1 82 99 HIS . 19045 1 83 100 LEU . 19045 1 84 101 GLN . 19045 1 85 102 PRO . 19045 1 86 103 THR . 19045 1 87 104 ALA . 19045 1 88 105 GLU . 19045 1 89 106 ASN . 19045 1 90 107 ALA . 19045 1 91 108 TYR . 19045 1 92 109 GLU . 19045 1 93 110 TYR . 19045 1 94 111 PHE . 19045 1 95 112 THR . 19045 1 96 113 LYS . 19045 1 97 114 ILE . 19045 1 98 115 ALA . 19045 1 99 116 THR . 19045 1 100 117 SER . 19045 1 101 118 LEU . 19045 1 102 119 PHE . 19045 1 103 120 GLU . 19045 1 104 121 SER . 19045 1 105 122 GLY . 19045 1 106 123 ILE . 19045 1 107 124 ASN . 19045 1 108 125 TRP . 19045 1 109 126 GLY . 19045 1 110 127 ARG . 19045 1 111 128 VAL . 19045 1 112 129 VAL . 19045 1 113 130 ALA . 19045 1 114 131 LEU . 19045 1 115 132 LEU . 19045 1 116 133 GLY . 19045 1 117 134 PHE . 19045 1 118 135 GLY . 19045 1 119 136 TYR . 19045 1 120 137 ARG . 19045 1 121 138 LEU . 19045 1 122 139 ALA . 19045 1 123 140 LEU . 19045 1 124 141 HIS . 19045 1 125 142 VAL . 19045 1 126 143 TYR . 19045 1 127 144 GLN . 19045 1 128 145 HIS . 19045 1 129 146 GLY . 19045 1 130 147 LEU . 19045 1 131 148 THR . 19045 1 132 149 GLY . 19045 1 133 150 PHE . 19045 1 134 151 LEU . 19045 1 135 152 GLY . 19045 1 136 153 GLN . 19045 1 137 154 VAL . 19045 1 138 155 THR . 19045 1 139 156 ARG . 19045 1 140 157 PHE . 19045 1 141 158 VAL . 19045 1 142 159 VAL . 19045 1 143 160 ASP . 19045 1 144 161 PHE . 19045 1 145 162 MET . 19045 1 146 163 LEU . 19045 1 147 164 HIS . 19045 1 148 165 HIS . 19045 1 149 166 CYS . 19045 1 150 167 ILE . 19045 1 151 168 ALA . 19045 1 152 169 ARG . 19045 1 153 170 TRP . 19045 1 154 171 ILE . 19045 1 155 172 ALA . 19045 1 156 173 GLN . 19045 1 157 174 ARG . 19045 1 158 175 GLY . 19045 1 159 176 GLY . 19045 1 160 177 TRP . 19045 1 161 178 VAL . 19045 1 162 179 ALA . 19045 1 163 180 ALA . 19045 1 164 181 LEU . 19045 1 165 182 ASN . 19045 1 166 183 LEU . 19045 1 167 184 GLY . 19045 1 168 185 ASN . 19045 1 169 186 GLY . 19045 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 . ALA 1 1 19045 1 . LEU 2 2 19045 1 . PRO 3 3 19045 1 . SER 4 4 19045 1 . ALA 5 5 19045 1 . SER 6 6 19045 1 . GLU 7 7 19045 1 . GLU 8 8 19045 1 . GLN 9 9 19045 1 . VAL 10 10 19045 1 . ALA 11 11 19045 1 . GLN 12 12 19045 1 . ASP 13 13 19045 1 . THR 14 14 19045 1 . GLU 15 15 19045 1 . GLU 16 16 19045 1 . VAL 17 17 19045 1 . PHE 18 18 19045 1 . ARG 19 19 19045 1 . SER 20 20 19045 1 . TYR 21 21 19045 1 . VAL 22 22 19045 1 . PHE 23 23 19045 1 . TYR 24 24 19045 1 . ARG 25 25 19045 1 . HIS 26 26 19045 1 . GLN 27 27 19045 1 . GLN 28 28 19045 1 . GLU 29 29 19045 1 . GLN 30 30 19045 1 . GLU 31 31 19045 1 . ALA 32 32 19045 1 . GLU 33 33 19045 1 . GLY 34 34 19045 1 . VAL 35 35 19045 1 . ALA 36 36 19045 1 . ALA 37 37 19045 1 . PRO 38 38 19045 1 . ALA 39 39 19045 1 . ASP 40 40 19045 1 . PRO 41 41 19045 1 . GLU 42 42 19045 1 . MET 43 43 19045 1 . VAL 44 44 19045 1 . THR 45 45 19045 1 . LEU 46 46 19045 1 . PRO 47 47 19045 1 . LEU 48 48 19045 1 . GLN 49 49 19045 1 . PRO 50 50 19045 1 . SER 51 51 19045 1 . SER 52 52 19045 1 . THR 53 53 19045 1 . MET 54 54 19045 1 . GLY 55 55 19045 1 . GLN 56 56 19045 1 . VAL 57 57 19045 1 . GLY 58 58 19045 1 . ARG 59 59 19045 1 . GLN 60 60 19045 1 . LEU 61 61 19045 1 . ALA 62 62 19045 1 . ILE 63 63 19045 1 . ILE 64 64 19045 1 . GLY 65 65 19045 1 . ASP 66 66 19045 1 . ASP 67 67 19045 1 . ILE 68 68 19045 1 . ASN 69 69 19045 1 . ARG 70 70 19045 1 . ARG 71 71 19045 1 . TYR 72 72 19045 1 . ASP 73 73 19045 1 . SER 74 74 19045 1 . GLU 75 75 19045 1 . PHE 76 76 19045 1 . GLN 77 77 19045 1 . THR 78 78 19045 1 . MET 79 79 19045 1 . LEU 80 80 19045 1 . GLN 81 81 19045 1 . HIS 82 82 19045 1 . LEU 83 83 19045 1 . GLN 84 84 19045 1 . PRO 85 85 19045 1 . THR 86 86 19045 1 . ALA 87 87 19045 1 . GLU 88 88 19045 1 . ASN 89 89 19045 1 . ALA 90 90 19045 1 . TYR 91 91 19045 1 . GLU 92 92 19045 1 . TYR 93 93 19045 1 . PHE 94 94 19045 1 . THR 95 95 19045 1 . LYS 96 96 19045 1 . ILE 97 97 19045 1 . ALA 98 98 19045 1 . THR 99 99 19045 1 . SER 100 100 19045 1 . LEU 101 101 19045 1 . PHE 102 102 19045 1 . GLU 103 103 19045 1 . SER 104 104 19045 1 . GLY 105 105 19045 1 . ILE 106 106 19045 1 . ASN 107 107 19045 1 . TRP 108 108 19045 1 . GLY 109 109 19045 1 . ARG 110 110 19045 1 . VAL 111 111 19045 1 . VAL 112 112 19045 1 . ALA 113 113 19045 1 . LEU 114 114 19045 1 . LEU 115 115 19045 1 . GLY 116 116 19045 1 . PHE 117 117 19045 1 . GLY 118 118 19045 1 . TYR 119 119 19045 1 . ARG 120 120 19045 1 . LEU 121 121 19045 1 . ALA 122 122 19045 1 . LEU 123 123 19045 1 . HIS 124 124 19045 1 . VAL 125 125 19045 1 . TYR 126 126 19045 1 . GLN 127 127 19045 1 . HIS 128 128 19045 1 . GLY 129 129 19045 1 . LEU 130 130 19045 1 . THR 131 131 19045 1 . GLY 132 132 19045 1 . PHE 133 133 19045 1 . LEU 134 134 19045 1 . GLY 135 135 19045 1 . GLN 136 136 19045 1 . VAL 137 137 19045 1 . THR 138 138 19045 1 . ARG 139 139 19045 1 . PHE 140 140 19045 1 . VAL 141 141 19045 1 . VAL 142 142 19045 1 . ASP 143 143 19045 1 . PHE 144 144 19045 1 . MET 145 145 19045 1 . LEU 146 146 19045 1 . HIS 147 147 19045 1 . HIS 148 148 19045 1 . CYS 149 149 19045 1 . ILE 150 150 19045 1 . ALA 151 151 19045 1 . ARG 152 152 19045 1 . TRP 153 153 19045 1 . ILE 154 154 19045 1 . ALA 155 155 19045 1 . GLN 156 156 19045 1 . ARG 157 157 19045 1 . GLY 158 158 19045 1 . GLY 159 159 19045 1 . TRP 160 160 19045 1 . VAL 161 161 19045 1 . ALA 162 162 19045 1 . ALA 163 163 19045 1 . LEU 164 164 19045 1 . ASN 165 165 19045 1 . LEU 166 166 19045 1 . GLY 167 167 19045 1 . ASN 168 168 19045 1 . GLY 169 169 19045 1 stop_ save_ save_human_BID_BH3_SAHB _Entity.Sf_category entity _Entity.Sf_framecode human_BID_BH3_SAHB _Entity.Entry_ID 19045 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name human_BID_BH3_SAHB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EDIIRNIARHLAXVGDXXDR SIX ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 23 _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 2278.613 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB CAG30275 . "BID [Homo sapiens]" . . . . . . . . . . . . . . 19045 2 2 no PDB 2M5B . "The Nmr Structure Of The Bid-bak Complex" . . . . . 95.65 23 100.00 100.00 3.83e-02 . . . . 19045 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 1 280 GLU . 19045 2 2 281 ASP . 19045 2 3 282 ILE . 19045 2 4 283 ILE . 19045 2 5 284 ARG . 19045 2 6 285 ASN . 19045 2 7 286 ILE . 19045 2 8 287 ALA . 19045 2 9 288 ARG . 19045 2 10 289 HIS . 19045 2 11 290 LEU . 19045 2 12 291 ALA . 19045 2 13 292 MK8 . 19045 2 14 293 VAL . 19045 2 15 294 GLY . 19045 2 16 295 ASP . 19045 2 17 296 MK8 . 19045 2 18 297 NLE . 19045 2 19 298 ASP . 19045 2 20 299 ARG . 19045 2 21 300 SER . 19045 2 22 301 ILE . 19045 2 23 302 NH2 . 19045 2 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 . GLU 1 1 19045 2 . ASP 2 2 19045 2 . ILE 3 3 19045 2 . ILE 4 4 19045 2 . ARG 5 5 19045 2 . ASN 6 6 19045 2 . ILE 7 7 19045 2 . ALA 8 8 19045 2 . ARG 9 9 19045 2 . HIS 10 10 19045 2 . LEU 11 11 19045 2 . ALA 12 12 19045 2 . MK8 13 13 19045 2 . VAL 14 14 19045 2 . GLY 15 15 19045 2 . ASP 16 16 19045 2 . MK8 17 17 19045 2 . NLE 18 18 19045 2 . ASP 19 19 19045 2 . ARG 20 20 19045 2 . SER 21 21 19045 2 . ILE 22 22 19045 2 . NH2 23 23 19045 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 19045 _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 $human_cBAK . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . wt . . . . . . . . . . . . . . BAK . . . . 19045 1 2 2 $human_BID_BH3_SAHB . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . BID . . . . 19045 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 19045 _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 $human_cBAK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'Amp resistant pET variant' . . . . . . 19045 1 2 2 $human_BID_BH3_SAHB . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19045 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MK8 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MK8 _Chem_comp.Entry_ID 19045 _Chem_comp.ID MK8 _Chem_comp.Provenance PDB _Chem_comp.Name 2-methyl-L-norleucine _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code MK8 _Chem_comp.PDB_code MK8 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code L _Chem_comp.Three_letter_code MK8 _Chem_comp.Number_atoms_all 25 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/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 LEU _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 no _Chem_comp.Formula 'C7 H15 N O2' _Chem_comp.Formula_weight 145.199 _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 3MK8 _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 CCCC[C@@](C)(C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 19045 MK8 CCCCC(C)(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.7.0 19045 MK8 CCCC[C](C)(N)C(O)=O SMILES CACTVS 3.370 19045 MK8 CCCC[C@](C)(N)C(O)=O SMILES_CANONICAL CACTVS 3.370 19045 MK8 InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1 InChI InChI 1.03 19045 MK8 LKZQHZQXROBVOO-ZETCQYMHSA-N InChIKey InChI 1.03 19045 MK8 O=C(O)C(N)(CCCC)C SMILES ACDLabs 12.01 19045 MK8 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 2-methyl-L-norleucine 'SYSTEMATIC NAME' ACDLabs 12.01 19045 MK8 '(2S)-2-azanyl-2-methyl-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 19045 MK8 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 C C C C . C . . N 0 . . . 1 no no . . . . 8.622 . -1.151 . -8.108 . 1.985 -0.419 -0.058 1 . 19045 MK8 N N N N . N . . N 0 . . . 1 no no . . . . 8.403 . -1.737 . -5.778 . 0.633 1.427 -0.877 2 . 19045 MK8 O O O O . O . . N 0 . . . 1 no no . . . . 7.967 . -1.505 . -9.087 . 2.007 -1.609 0.151 3 . 19045 MK8 CA CA CA CA . C . . S 0 . . . 1 no no . . . . 7.941 . -0.782 . -6.794 . 0.704 0.354 0.124 4 . 19045 MK8 CB CB CB CB . C . . N 0 . . . 1 no no . . . . 8.353 . 0.634 . -6.352 . -0.489 -0.587 -0.051 5 . 19045 MK8 CD CD CD CD . C . . N 0 . . . 1 no no . . . . 8.390 . 1.576 . -8.735 . -2.981 -0.721 -0.165 6 . 19045 MK8 CE CE CE CE . C . . N 0 . . . 1 no no . . . . 7.778 . 2.634 . -9.639 . -4.280 0.086 -0.105 7 . 19045 MK8 CG CG CG CG . C . . N 0 . . . 1 no no . . . . 7.841 . 1.713 . -7.315 . -1.788 0.220 0.010 8 . 19045 MK8 CB1 CB1 CB1 CB1 . C . . N 0 . . . 1 no no . . . . 6.423 . -0.861 . -6.956 . 0.672 0.964 1.527 9 . 19045 MK8 O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . 10.047 . -1.084 . -8.204 . 3.102 0.214 -0.447 10 . 19045 MK8 HN HN HN HN . H . . N 0 . . . 1 no no . . . . 7.974 . -1.524 . -4.900 . 1.375 2.097 -0.742 11 . 19045 MK8 HNA HNA HNA HNA . H . . N 0 . . . 1 no yes . . . . 8.152 . -2.665 . -6.054 . 0.653 1.049 -1.813 12 . 19045 MK8 HB HB HB HB . H . . N 0 . . . 1 no no . . . . 7.932 . 0.826 . -5.354 . -0.418 -1.088 -1.016 13 . 19045 MK8 HBA HBA HBA HBA . H . . N 0 . . . 1 no no . . . . 9.451 . 0.685 . -6.320 . -0.486 -1.330 0.746 14 . 19045 MK8 HD HD HD HD . H . . N 0 . . . 1 no no . . . . 9.482 . 1.704 . -8.715 . -2.978 -1.465 0.632 15 . 19045 MK8 HDA HDA HDA HDA . H . . N 0 . . . 1 no no . . . . 8.141 . 0.578 . -9.125 . -2.910 -1.223 -1.130 16 . 19045 MK8 HE HE HE HE . H . . N 0 . . . 1 no no . . . . 8.181 . 2.525 . -10.657 . -5.130 -0.585 -0.229 17 . 19045 MK8 HEA HEA HEA HEA . H . . N 0 . . . 1 no no . . . . 6.685 . 2.509 . -9.662 . -4.352 0.587 0.861 18 . 19045 MK8 HEB HEB HEB HEB . H . . N 0 . . . 1 no no . . . . 8.025 . 3.634 . -9.252 . -4.284 0.829 -0.901 19 . 19045 MK8 HG HG HG HG . H . . N 0 . . . 1 no no . . . . 8.147 . 2.694 . -6.923 . -1.859 0.721 0.975 20 . 19045 MK8 HGA HGA HGA HGA . H . . N 0 . . . 1 no no . . . . 6.745 . 1.636 . -7.363 . -1.791 0.963 -0.787 21 . 19045 MK8 HB1 HB1 HB1 HB1 . H . . N 0 . . . 1 no no . . . . 5.938 . -0.594 . -6.006 . 1.522 1.634 1.652 22 . 19045 MK8 HB1A HB1A HB1A HB1A . H . . N 0 . . . 0 no no . . . . 6.101 . -0.161 . -7.741 . -0.254 1.523 1.659 23 . 19045 MK8 HB1B HB1B HB1B HB1B . H . . N 0 . . . 0 no no . . . . 6.137 . -1.885 . -7.238 . 0.724 0.168 2.270 24 . 19045 MK8 H15 H15 H15 H15 . H . . N 0 . . . 1 no yes . . . . 10.318 . -1.341 . -9.077 . 3.899 -0.324 -0.550 25 . 19045 MK8 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 . SING C CA no N 1 . 19045 MK8 2 . SING C O2 no N 2 . 19045 MK8 3 . SING N HN no N 3 . 19045 MK8 4 . SING N HNA no N 4 . 19045 MK8 5 . DOUB O C no N 5 . 19045 MK8 6 . SING CA N no N 6 . 19045 MK8 7 . SING CA CB no N 7 . 19045 MK8 8 . SING CB HB no N 8 . 19045 MK8 9 . SING CB HBA no N 9 . 19045 MK8 10 . SING CD CG no N 10 . 19045 MK8 11 . SING CD HD no N 11 . 19045 MK8 12 . SING CD HDA no N 12 . 19045 MK8 13 . SING CE CD no N 13 . 19045 MK8 14 . SING CE HE no N 14 . 19045 MK8 15 . SING CE HEA no N 15 . 19045 MK8 16 . SING CE HEB no N 16 . 19045 MK8 17 . SING CG CB no N 17 . 19045 MK8 18 . SING CG HG no N 18 . 19045 MK8 19 . SING CG HGA no N 19 . 19045 MK8 20 . SING CB1 CA no N 20 . 19045 MK8 21 . SING CB1 HB1 no N 21 . 19045 MK8 22 . SING CB1 HB1A no N 22 . 19045 MK8 23 . SING CB1 HB1B no N 23 . 19045 MK8 24 . SING O2 H15 no N 24 . 19045 MK8 stop_ save_ save_chem_comp_NLE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NLE _Chem_comp.Entry_ID 19045 _Chem_comp.ID NLE _Chem_comp.Provenance PDB _Chem_comp.Name NORLEUCINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code NLE _Chem_comp.PDB_code NLE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code L _Chem_comp.Three_letter_code NLE _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/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 LEU _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 no _Chem_comp.Formula 'C6 H13 N O2' _Chem_comp.Formula_weight 131.173 _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 . _Chem_comp.Processing_site EBI _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 CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 19045 NLE CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19045 NLE CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 19045 NLE CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 19045 NLE InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 InChI InChI 1.03 19045 NLE LRQKBLKVPFOOQJ-YFKPBYRVSA-N InChIKey InChI 1.03 19045 NLE O=C(O)C(N)CCCC SMILES ACDLabs 10.04 19045 NLE 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 '(2S)-2-aminohexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19045 NLE L-norleucine 'SYSTEMATIC NAME' ACDLabs 10.04 19045 NLE 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 N N N N . N . . N 0 . . . 1 no no . . . . 16.557 . 39.518 . 17.898 . 0.720 1.773 0.288 1 . 19045 NLE CA CA CA CA . C . . S 0 . . . 1 no no . . . . 15.812 . 40.611 . 17.285 . 0.763 0.319 0.492 2 . 19045 NLE C C C C . C . . N 0 . . . 1 no no . . . . 16.773 . 41.690 . 16.789 . 2.084 -0.218 0.003 3 . 19045 NLE O O O O . O . . N 0 . . . 1 no no . . . . 16.479 . 42.322 . 15.753 . 2.747 0.426 -0.776 4 . 19045 NLE OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 17.818 . 41.883 . 17.441 . 2.524 -1.411 0.433 5 . 19045 NLE CB CB CB CB . C . . N 0 . . . 1 no no . . . . 14.816 . 41.205 . 18.283 . -0.375 -0.340 -0.289 6 . 19045 NLE CG CG CG CG . C . . N 0 . . . 1 no no . . . . 13.697 . 40.254 . 18.678 . -1.718 0.110 0.290 7 . 19045 NLE CD CD CD CD . C . . N 0 . . . 1 no no . . . . 12.730 . 40.911 . 19.645 . -2.857 -0.549 -0.491 8 . 19045 NLE CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.636 . 39.956 . 20.071 . -4.200 -0.099 0.087 9 . 19045 NLE H H H 1HN . H . . N 0 . . . 1 no no . . . . 16.728 . 38.807 . 17.216 . 0.822 2.004 -0.689 10 . 19045 NLE HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 17.429 . 39.863 . 18.245 . -0.129 2.166 0.666 11 . 19045 NLE HA HA HA HA . H . . N 0 . . . 1 no no . . . . 15.250 . 40.215 . 16.426 . 0.652 0.097 1.553 12 . 19045 NLE HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 18.329 . 42.568 . 17.026 . 3.377 -1.713 0.092 13 . 19045 NLE HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 15.369 . 41.477 . 19.194 . -0.315 -0.046 -1.337 14 . 19045 NLE HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 14.345 . 42.069 . 17.792 . -0.290 -1.424 -0.211 15 . 19045 NLE HG2 HG2 HG2 1HG . H . . N 0 . . . 1 no no . . . . 13.147 . 39.956 . 17.773 . -1.779 -0.184 1.338 16 . 19045 NLE HG3 HG3 HG3 2HG . H . . N 0 . . . 1 no no . . . . 14.143 . 39.379 . 19.173 . -1.803 1.194 0.211 17 . 19045 NLE HD2 HD2 HD2 1HD . H . . N 0 . . . 1 no no . . . . 13.286 . 41.234 . 20.538 . -2.796 -0.255 -1.539 18 . 19045 NLE HD3 HD3 HD3 2HD . H . . N 0 . . . 1 no no . . . . 12.263 . 41.768 . 19.138 . -2.772 -1.633 -0.413 19 . 19045 NLE HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . 11.747 . 39.724 . 21.141 . -4.284 0.985 0.009 20 . 19045 NLE HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . 10.655 . 40.422 . 19.897 . -5.011 -0.568 -0.469 21 . 19045 NLE HE3 HE3 HE3 3HE . H . . N 0 . . . 1 no no . . . . 11.711 . 39.028 . 19.485 . -4.260 -0.393 1.135 22 . 19045 NLE 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 . SING N CA no N 1 . 19045 NLE 2 . SING N H no N 2 . 19045 NLE 3 . SING N HN2 no N 3 . 19045 NLE 4 . SING CA C no N 4 . 19045 NLE 5 . SING CA CB no N 5 . 19045 NLE 6 . SING CA HA no N 6 . 19045 NLE 7 . DOUB C O no N 7 . 19045 NLE 8 . SING C OXT no N 8 . 19045 NLE 9 . SING OXT HXT no N 9 . 19045 NLE 10 . SING CB CG no N 10 . 19045 NLE 11 . SING CB HB2 no N 11 . 19045 NLE 12 . SING CB HB3 no N 12 . 19045 NLE 13 . SING CG CD no N 13 . 19045 NLE 14 . SING CG HG2 no N 14 . 19045 NLE 15 . SING CG HG3 no N 15 . 19045 NLE 16 . SING CD CE no N 16 . 19045 NLE 17 . SING CD HD2 no N 17 . 19045 NLE 18 . SING CD HD3 no N 18 . 19045 NLE 19 . SING CE HE1 no N 19 . 19045 NLE 20 . SING CE HE2 no N 20 . 19045 NLE 21 . SING CE HE3 no N 21 . 19045 NLE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 19045 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _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 no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _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 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _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 InChI=1/H3N/h1H3 InChI InChI 1.02b 19045 NH2 N SMILES ACDLabs 10.04 19045 NH2 [NH2] SMILES CACTVS 3.341 19045 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 19045 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 19045 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19045 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 19045 NH2 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 ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 19045 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19045 NH2 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 N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 19045 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 19045 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 19045 NH2 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 . SING N HN1 no N 1 . 19045 NH2 2 . SING N HN2 no N 2 . 19045 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SAHB-BAK _Sample.Sf_category sample _Sample.Sf_framecode SAHB-BAK _Sample.Entry_ID 19045 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; ~0.5 mM SAHB-BAK 20 mM Phosphate buffer pH 6.8 ; _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 'human cBAK' '[U-98% 13C; U-98% 15N]' . . 1 $human_cBAK . . 0.5 . . mM . . . . 19045 1 2 'human BID BH3 SAHB' 'natural abundance' . . 2 $human_BID_BH3_SAHB . . 0.5 . . mM . . . . 19045 1 3 'Phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 19045 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19045 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19045 1 pH 6.8 . pH 19045 1 pressure 1 . atm 19045 1 temperature 300 . K 19045 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19045 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19045 1 'Guntert, Mumenthaler and Wuthrich' . . 19045 1 'Keller and Wuthrich' . . 19045 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19045 1 processing 19045 1 'structure solution' 19045 1 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 19045 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenically cooled triple resonance z-gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19045 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryogenically cooled triple resonance z-gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19045 _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 1 600 Bruker Avance . 600 'cryogenically cooled triple resonance z-gradient probe' . . 19045 1 2 800 Bruker Avance . 800 'cryogenically cooled triple resonance z-gradient probe' . . 19045 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 19045 _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 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 3 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 4 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 5 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 6 '2D 1H-1H COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 7 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 8 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 9 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 10 '3D HBHA(CBCACO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 11 '3D 1H HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 12 '3D 13C-detected HCC-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 13 '2D 1H-15N TROSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 14 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 15 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 16 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 17 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 18 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 19 '2D 13C-1H TROSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 20 '3D 13C/15N half-filtered 15N-edited NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 21 '3D 13C/15N half-filtered 13C-edited NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $SAHB-BAK isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19045 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19045 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $TOPSPIN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19045 _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' 0.2 mM H2O . ppm 0.01 internal indirect 0.2514 . . . . . . . . . 19045 1 H 1 DSS 'methyl protons' 0.2 mM H2O . ppm -0.039 internal direct 1 . . . . . . . . . 19045 1 N 15 DSS 'methyl protons' 0.2 mM H2O . ppm 0.004 internal indirect 0.1013 . . . . . . . . . 19045 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 19045 _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 7 '3D CBCA(CO)NH' . . . 19045 1 9 '3D HNCACB' . . . 19045 1 13 '2D 1H-15N TROSY' . . . 19045 1 15 '3D 1H-15N TOCSY' . . . 19045 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 ALA HA H 1 4.224 0.020 . 1 . . . A 18 ALA HA . 19045 1 2 . 1 1 1 1 ALA HB1 H 1 1.232 0.020 . 1 . . . A 18 ALA HB1 . 19045 1 3 . 1 1 1 1 ALA HB2 H 1 1.232 0.020 . 1 . . . A 18 ALA HB2 . 19045 1 4 . 1 1 1 1 ALA HB3 H 1 1.232 0.020 . 1 . . . A 18 ALA HB3 . 19045 1 5 . 1 1 1 1 ALA H H 1 8.264 0.020 . 1 . . . A 18 ALA H1 . 19045 1 6 . 1 1 1 1 ALA CA C 13 52.086 0.3 . 1 . . . A 18 ALA CA . 19045 1 7 . 1 1 1 1 ALA CB C 13 19.479 0.3 . 1 . . . A 18 ALA CB . 19045 1 8 . 1 1 1 1 ALA N N 15 125.305 0.3 . 1 . . . A 18 ALA N . 19045 1 9 . 1 1 2 2 LEU H H 1 8.080 0.020 . 1 . . . A 19 LEU H . 19045 1 10 . 1 1 2 2 LEU HA H 1 4.523 0.020 . 1 . . . A 19 LEU HA . 19045 1 11 . 1 1 2 2 LEU HB2 H 1 1.482 0.020 . 1 . . . A 19 LEU HB2 . 19045 1 12 . 1 1 2 2 LEU HB3 H 1 1.482 0.020 . 1 . . . A 19 LEU HB3 . 19045 1 13 . 1 1 2 2 LEU HG H 1 1.584 0.020 . 1 . . . A 19 LEU HG . 19045 1 14 . 1 1 2 2 LEU HD11 H 1 0.845 0.020 . 1 . . . A 19 LEU HD11 . 19045 1 15 . 1 1 2 2 LEU HD12 H 1 0.845 0.020 . 1 . . . A 19 LEU HD12 . 19045 1 16 . 1 1 2 2 LEU HD13 H 1 0.845 0.020 . 1 . . . A 19 LEU HD13 . 19045 1 17 . 1 1 2 2 LEU HD21 H 1 0.820 0.020 . 1 . . . A 19 LEU HD21 . 19045 1 18 . 1 1 2 2 LEU HD22 H 1 0.820 0.020 . 1 . . . A 19 LEU HD22 . 19045 1 19 . 1 1 2 2 LEU HD23 H 1 0.820 0.020 . 1 . . . A 19 LEU HD23 . 19045 1 20 . 1 1 2 2 LEU CA C 13 52.690 0.3 . 1 . . . A 19 LEU CA . 19045 1 21 . 1 1 2 2 LEU CB C 13 41.808 0.3 . 1 . . . A 19 LEU CB . 19045 1 22 . 1 1 2 2 LEU CG C 13 26.989 0.3 . 1 . . . A 19 LEU CG . 19045 1 23 . 1 1 2 2 LEU CD1 C 13 25.166 0.3 . 1 . . . A 19 LEU CD1 . 19045 1 24 . 1 1 2 2 LEU CD2 C 13 23.239 0.3 . 1 . . . A 19 LEU CD2 . 19045 1 25 . 1 1 2 2 LEU N N 15 122.834 0.3 . 1 . . . A 19 LEU N . 19045 1 26 . 1 1 3 3 PRO HA H 1 4.353 0.020 . 1 . . . A 20 PRO HA . 19045 1 27 . 1 1 3 3 PRO HB2 H 1 2.182 0.020 . 2 . . . A 20 PRO HB2 . 19045 1 28 . 1 1 3 3 PRO HB3 H 1 1.821 0.020 . 2 . . . A 20 PRO HB3 . 19045 1 29 . 1 1 3 3 PRO HG2 H 1 1.915 0.020 . 1 . . . A 20 PRO HG2 . 19045 1 30 . 1 1 3 3 PRO HG3 H 1 1.915 0.020 . 1 . . . A 20 PRO HG3 . 19045 1 31 . 1 1 3 3 PRO HD2 H 1 3.754 0.020 . 2 . . . A 20 PRO HD2 . 19045 1 32 . 1 1 3 3 PRO HD3 H 1 3.541 0.020 . 2 . . . A 20 PRO HD3 . 19045 1 33 . 1 1 3 3 PRO CA C 13 62.826 0.3 . 1 . . . A 20 PRO CA . 19045 1 34 . 1 1 3 3 PRO CB C 13 31.969 0.3 . 1 . . . A 20 PRO CB . 19045 1 35 . 1 1 3 3 PRO CG C 13 27.114 0.3 . 1 . . . A 20 PRO CG . 19045 1 36 . 1 1 3 3 PRO CD C 13 50.369 0.3 . 1 . . . A 20 PRO CD . 19045 1 37 . 1 1 4 4 SER H H 1 8.246 0.020 . 1 . . . A 21 SER H . 19045 1 38 . 1 1 4 4 SER HA H 1 4.249 0.020 . 1 . . . A 21 SER HA . 19045 1 39 . 1 1 4 4 SER HB2 H 1 3.801 0.020 . 1 . . . A 21 SER HB2 . 19045 1 40 . 1 1 4 4 SER HB3 H 1 3.801 0.020 . 1 . . . A 21 SER HB3 . 19045 1 41 . 1 1 4 4 SER CA C 13 58.338 0.3 . 1 . . . A 21 SER CA . 19045 1 42 . 1 1 4 4 SER CB C 13 63.856 0.3 . 1 . . . A 21 SER CB . 19045 1 43 . 1 1 4 4 SER N N 15 116.268 0.3 . 1 . . . A 21 SER N . 19045 1 44 . 1 1 5 5 ALA H H 1 8.192 0.020 . 1 . . . A 22 ALA H . 19045 1 45 . 1 1 5 5 ALA HA H 1 4.405 0.020 . 1 . . . A 22 ALA HA . 19045 1 46 . 1 1 5 5 ALA HB1 H 1 1.261 0.020 . 1 . . . A 22 ALA HB1 . 19045 1 47 . 1 1 5 5 ALA HB2 H 1 1.261 0.020 . 1 . . . A 22 ALA HB2 . 19045 1 48 . 1 1 5 5 ALA HB3 H 1 1.261 0.020 . 1 . . . A 22 ALA HB3 . 19045 1 49 . 1 1 5 5 ALA CA C 13 52.086 0.3 . 1 . . . A 22 ALA CA . 19045 1 50 . 1 1 5 5 ALA CB C 13 19.582 0.3 . 1 . . . A 22 ALA CB . 19045 1 51 . 1 1 5 5 ALA N N 15 125.246 0.3 . 1 . . . A 22 ALA N . 19045 1 52 . 1 1 6 6 SER H H 1 8.081 0.020 . 1 . . . A 23 SER H . 19045 1 53 . 1 1 6 6 SER HA H 1 4.469 0.020 . 1 . . . A 23 SER HA . 19045 1 54 . 1 1 6 6 SER HB2 H 1 4.088 0.020 . 2 . . . A 23 SER HB2 . 19045 1 55 . 1 1 6 6 SER HB3 H 1 3.840 0.020 . 2 . . . A 23 SER HB3 . 19045 1 56 . 1 1 6 6 SER CA C 13 57.386 0.3 . 1 . . . A 23 SER CA . 19045 1 57 . 1 1 6 6 SER CB C 13 64.582 0.3 . 1 . . . A 23 SER CB . 19045 1 58 . 1 1 6 6 SER N N 15 114.236 0.3 . 1 . . . A 23 SER N . 19045 1 59 . 1 1 7 7 GLU H H 1 8.702 0.020 . 1 . . . A 24 GLU H . 19045 1 60 . 1 1 7 7 GLU HA H 1 3.534 0.020 . 1 . . . A 24 GLU HA . 19045 1 61 . 1 1 7 7 GLU HB2 H 1 1.861 0.020 . 1 . . . A 24 GLU HB2 . 19045 1 62 . 1 1 7 7 GLU HB3 H 1 1.861 0.020 . 1 . . . A 24 GLU HB3 . 19045 1 63 . 1 1 7 7 GLU HG2 H 1 1.956 0.020 . 2 . . . A 24 GLU HG2 . 19045 1 64 . 1 1 7 7 GLU HG3 H 1 1.865 0.020 . 2 . . . A 24 GLU HG3 . 19045 1 65 . 1 1 7 7 GLU CA C 13 59.772 0.3 . 1 . . . A 24 GLU CA . 19045 1 66 . 1 1 7 7 GLU CB C 13 29.798 0.3 . 1 . . . A 24 GLU CB . 19045 1 67 . 1 1 7 7 GLU CG C 13 36.072 0.3 . 1 . . . A 24 GLU CG . 19045 1 68 . 1 1 7 7 GLU N N 15 124.005 0.3 . 1 . . . A 24 GLU N . 19045 1 69 . 1 1 8 8 GLU H H 1 8.559 0.020 . 1 . . . A 25 GLU H . 19045 1 70 . 1 1 8 8 GLU HA H 1 3.796 0.020 . 1 . . . A 25 GLU HA . 19045 1 71 . 1 1 8 8 GLU HB2 H 1 1.890 0.020 . 1 . . . A 25 GLU HB2 . 19045 1 72 . 1 1 8 8 GLU HB3 H 1 1.890 0.020 . 1 . . . A 25 GLU HB3 . 19045 1 73 . 1 1 8 8 GLU HG2 H 1 2.230 0.020 . 1 . . . A 25 GLU HG2 . 19045 1 74 . 1 1 8 8 GLU HG3 H 1 2.230 0.020 . 1 . . . A 25 GLU HG3 . 19045 1 75 . 1 1 8 8 GLU CA C 13 59.939 0.3 . 1 . . . A 25 GLU CA . 19045 1 76 . 1 1 8 8 GLU CB C 13 29.217 0.3 . 1 . . . A 25 GLU CB . 19045 1 77 . 1 1 8 8 GLU CG C 13 36.181 0.3 . 1 . . . A 25 GLU CG . 19045 1 78 . 1 1 8 8 GLU N N 15 118.390 0.3 . 1 . . . A 25 GLU N . 19045 1 79 . 1 1 9 9 GLN H H 1 7.764 0.020 . 1 . . . A 26 GLN H . 19045 1 80 . 1 1 9 9 GLN HA H 1 3.916 0.020 . 1 . . . A 26 GLN HA . 19045 1 81 . 1 1 9 9 GLN HB2 H 1 2.152 0.020 . 1 . . . A 26 GLN HB2 . 19045 1 82 . 1 1 9 9 GLN HB3 H 1 2.152 0.020 . 1 . . . A 26 GLN HB3 . 19045 1 83 . 1 1 9 9 GLN HG2 H 1 2.423 0.020 . 1 . . . A 26 GLN HG2 . 19045 1 84 . 1 1 9 9 GLN HG3 H 1 2.423 0.020 . 1 . . . A 26 GLN HG3 . 19045 1 85 . 1 1 9 9 GLN HE21 H 1 6.689 0.020 . 1 . . . A 26 GLN HE21 . 19045 1 86 . 1 1 9 9 GLN HE22 H 1 7.360 0.020 . 1 . . . A 26 GLN HE22 . 19045 1 87 . 1 1 9 9 GLN CA C 13 58.343 0.3 . 1 . . . A 26 GLN CA . 19045 1 88 . 1 1 9 9 GLN CB C 13 28.119 0.3 . 1 . . . A 26 GLN CB . 19045 1 89 . 1 1 9 9 GLN CG C 13 33.900 0.3 . 1 . . . A 26 GLN CG . 19045 1 90 . 1 1 9 9 GLN N N 15 120.776 0.3 . 1 . . . A 26 GLN N . 19045 1 91 . 1 1 9 9 GLN NE2 N 15 111.421 0.3 . 1 . . . A 26 GLN NE2 . 19045 1 92 . 1 1 10 10 VAL H H 1 8.062 0.020 . 1 . . . A 27 VAL H . 19045 1 93 . 1 1 10 10 VAL HA H 1 3.933 0.020 . 1 . . . A 27 VAL HA . 19045 1 94 . 1 1 10 10 VAL HB H 1 2.073 0.020 . 1 . . . A 27 VAL HB . 19045 1 95 . 1 1 10 10 VAL HG11 H 1 1.009 0.020 . 1 . . . A 27 VAL HG11 . 19045 1 96 . 1 1 10 10 VAL HG12 H 1 1.009 0.020 . 1 . . . A 27 VAL HG12 . 19045 1 97 . 1 1 10 10 VAL HG13 H 1 1.009 0.020 . 1 . . . A 27 VAL HG13 . 19045 1 98 . 1 1 10 10 VAL HG21 H 1 0.703 0.020 . 1 . . . A 27 VAL HG21 . 19045 1 99 . 1 1 10 10 VAL HG22 H 1 0.703 0.020 . 1 . . . A 27 VAL HG22 . 19045 1 100 . 1 1 10 10 VAL HG23 H 1 0.703 0.020 . 1 . . . A 27 VAL HG23 . 19045 1 101 . 1 1 10 10 VAL CA C 13 66.285 0.3 . 1 . . . A 27 VAL CA . 19045 1 102 . 1 1 10 10 VAL CB C 13 31.596 0.3 . 1 . . . A 27 VAL CB . 19045 1 103 . 1 1 10 10 VAL CG1 C 13 23.730 0.3 . 1 . . . A 27 VAL CG1 . 19045 1 104 . 1 1 10 10 VAL CG2 C 13 21.450 0.3 . 1 . . . A 27 VAL CG2 . 19045 1 105 . 1 1 10 10 VAL N N 15 118.723 0.3 . 1 . . . A 27 VAL N . 19045 1 106 . 1 1 11 11 ALA H H 1 8.412 0.020 . 1 . . . A 28 ALA H . 19045 1 107 . 1 1 11 11 ALA HA H 1 4.026 0.020 . 1 . . . A 28 ALA HA . 19045 1 108 . 1 1 11 11 ALA HB1 H 1 1.441 0.020 . 1 . . . A 28 ALA HB1 . 19045 1 109 . 1 1 11 11 ALA HB2 H 1 1.441 0.020 . 1 . . . A 28 ALA HB2 . 19045 1 110 . 1 1 11 11 ALA HB3 H 1 1.441 0.020 . 1 . . . A 28 ALA HB3 . 19045 1 111 . 1 1 11 11 ALA CA C 13 56.178 0.3 . 1 . . . A 28 ALA CA . 19045 1 112 . 1 1 11 11 ALA CB C 13 18.463 0.3 . 1 . . . A 28 ALA CB . 19045 1 113 . 1 1 11 11 ALA N N 15 122.902 0.3 . 1 . . . A 28 ALA N . 19045 1 114 . 1 1 12 12 GLN H H 1 7.900 0.020 . 1 . . . A 29 GLN H . 19045 1 115 . 1 1 12 12 GLN HA H 1 4.084 0.020 . 1 . . . A 29 GLN HA . 19045 1 116 . 1 1 12 12 GLN HB2 H 1 2.178 0.020 . 1 . . . A 29 GLN HB2 . 19045 1 117 . 1 1 12 12 GLN HB3 H 1 2.178 0.020 . 1 . . . A 29 GLN HB3 . 19045 1 118 . 1 1 12 12 GLN HG2 H 1 2.426 0.020 . 1 . . . A 29 GLN HG2 . 19045 1 119 . 1 1 12 12 GLN HG3 H 1 2.426 0.020 . 1 . . . A 29 GLN HG3 . 19045 1 120 . 1 1 12 12 GLN HE21 H 1 6.690 0.020 . 1 . . . A 29 GLN HE21 . 19045 1 121 . 1 1 12 12 GLN HE22 H 1 7.401 0.020 . 1 . . . A 29 GLN HE22 . 19045 1 122 . 1 1 12 12 GLN CA C 13 59.063 0.3 . 1 . . . A 29 GLN CA . 19045 1 123 . 1 1 12 12 GLN CB C 13 28.452 0.3 . 1 . . . A 29 GLN CB . 19045 1 124 . 1 1 12 12 GLN CG C 13 33.742 0.3 . 1 . . . A 29 GLN CG . 19045 1 125 . 1 1 12 12 GLN N N 15 117.996 0.3 . 1 . . . A 29 GLN N . 19045 1 126 . 1 1 12 12 GLN NE2 N 15 111.480 0.3 . 1 . . . A 29 GLN NE2 . 19045 1 127 . 1 1 13 13 ASP H H 1 8.888 0.020 . 1 . . . A 30 ASP H . 19045 1 128 . 1 1 13 13 ASP HA H 1 4.521 0.020 . 1 . . . A 30 ASP HA . 19045 1 129 . 1 1 13 13 ASP HB2 H 1 3.295 0.020 . 2 . . . A 30 ASP HB2 . 19045 1 130 . 1 1 13 13 ASP HB3 H 1 3.146 0.020 . 2 . . . A 30 ASP HB3 . 19045 1 131 . 1 1 13 13 ASP CA C 13 57.038 0.3 . 1 . . . A 30 ASP CA . 19045 1 132 . 1 1 13 13 ASP CB C 13 41.939 0.3 . 1 . . . A 30 ASP CB . 19045 1 133 . 1 1 13 13 ASP N N 15 121.907 0.3 . 1 . . . A 30 ASP N . 19045 1 134 . 1 1 14 14 THR H H 1 8.069 0.020 . 1 . . . A 31 THR H . 19045 1 135 . 1 1 14 14 THR HA H 1 3.493 0.020 . 1 . . . A 31 THR HA . 19045 1 136 . 1 1 14 14 THR HB H 1 4.666 0.020 . 1 . . . A 31 THR HB . 19045 1 137 . 1 1 14 14 THR HG21 H 1 1.318 0.020 . 1 . . . A 31 THR HG21 . 19045 1 138 . 1 1 14 14 THR HG22 H 1 1.318 0.020 . 1 . . . A 31 THR HG22 . 19045 1 139 . 1 1 14 14 THR HG23 H 1 1.318 0.020 . 1 . . . A 31 THR HG23 . 19045 1 140 . 1 1 14 14 THR CA C 13 66.946 0.3 . 1 . . . A 31 THR CA . 19045 1 141 . 1 1 14 14 THR CB C 13 68.523 0.3 . 1 . . . A 31 THR CB . 19045 1 142 . 1 1 14 14 THR CG2 C 13 22.547 0.3 . 1 . . . A 31 THR CG2 . 19045 1 143 . 1 1 14 14 THR N N 15 114.861 0.3 . 1 . . . A 31 THR N . 19045 1 144 . 1 1 15 15 GLU H H 1 7.578 0.020 . 1 . . . A 32 GLU H . 19045 1 145 . 1 1 15 15 GLU HA H 1 3.597 0.020 . 1 . . . A 32 GLU HA . 19045 1 146 . 1 1 15 15 GLU HB2 H 1 2.059 0.020 . 1 . . . A 32 GLU HB2 . 19045 1 147 . 1 1 15 15 GLU HB3 H 1 2.059 0.020 . 1 . . . A 32 GLU HB3 . 19045 1 148 . 1 1 15 15 GLU HG2 H 1 2.237 0.020 . 2 . . . A 32 GLU HG2 . 19045 1 149 . 1 1 15 15 GLU HG3 H 1 2.050 0.020 . 2 . . . A 32 GLU HG3 . 19045 1 150 . 1 1 15 15 GLU CA C 13 60.899 0.3 . 1 . . . A 32 GLU CA . 19045 1 151 . 1 1 15 15 GLU CB C 13 28.963 0.3 . 1 . . . A 32 GLU CB . 19045 1 152 . 1 1 15 15 GLU CG C 13 36.002 0.3 . 1 . . . A 32 GLU CG . 19045 1 153 . 1 1 15 15 GLU N N 15 120.848 0.3 . 1 . . . A 32 GLU N . 19045 1 154 . 1 1 16 16 GLU H H 1 7.446 0.020 . 1 . . . A 33 GLU H . 19045 1 155 . 1 1 16 16 GLU HA H 1 3.938 0.020 . 1 . . . A 33 GLU HA . 19045 1 156 . 1 1 16 16 GLU HB2 H 1 1.983 0.020 . 1 . . . A 33 GLU HB2 . 19045 1 157 . 1 1 16 16 GLU HB3 H 1 1.983 0.020 . 1 . . . A 33 GLU HB3 . 19045 1 158 . 1 1 16 16 GLU HG2 H 1 2.020 0.020 . 1 . . . A 33 GLU HG2 . 19045 1 159 . 1 1 16 16 GLU HG3 H 1 2.020 0.020 . 1 . . . A 33 GLU HG3 . 19045 1 160 . 1 1 16 16 GLU CA C 13 58.768 0.3 . 1 . . . A 33 GLU CA . 19045 1 161 . 1 1 16 16 GLU CB C 13 29.708 0.3 . 1 . . . A 33 GLU CB . 19045 1 162 . 1 1 16 16 GLU CG C 13 35.996 0.3 . 1 . . . A 33 GLU CG . 19045 1 163 . 1 1 16 16 GLU N N 15 117.741 0.3 . 1 . . . A 33 GLU N . 19045 1 164 . 1 1 17 17 VAL H H 1 7.792 0.020 . 1 . . . A 34 VAL H . 19045 1 165 . 1 1 17 17 VAL HA H 1 3.108 0.020 . 1 . . . A 34 VAL HA . 19045 1 166 . 1 1 17 17 VAL HB H 1 1.160 0.020 . 1 . . . A 34 VAL HB . 19045 1 167 . 1 1 17 17 VAL HG11 H 1 -0.050 0.020 . 1 . . . A 34 VAL HG11 . 19045 1 168 . 1 1 17 17 VAL HG12 H 1 -0.050 0.020 . 1 . . . A 34 VAL HG12 . 19045 1 169 . 1 1 17 17 VAL HG13 H 1 -0.050 0.020 . 1 . . . A 34 VAL HG13 . 19045 1 170 . 1 1 17 17 VAL HG21 H 1 -0.220 0.020 . 1 . . . A 34 VAL HG21 . 19045 1 171 . 1 1 17 17 VAL HG22 H 1 -0.220 0.020 . 1 . . . A 34 VAL HG22 . 19045 1 172 . 1 1 17 17 VAL HG23 H 1 -0.220 0.020 . 1 . . . A 34 VAL HG23 . 19045 1 173 . 1 1 17 17 VAL CA C 13 66.979 0.3 . 1 . . . A 34 VAL CA . 19045 1 174 . 1 1 17 17 VAL CB C 13 31.884 0.3 . 1 . . . A 34 VAL CB . 19045 1 175 . 1 1 17 17 VAL CG1 C 13 22.656 0.3 . 1 . . . A 34 VAL CG1 . 19045 1 176 . 1 1 17 17 VAL CG2 C 13 20.050 0.3 . 1 . . . A 34 VAL CG2 . 19045 1 177 . 1 1 17 17 VAL N N 15 120.239 0.3 . 1 . . . A 34 VAL N . 19045 1 178 . 1 1 18 18 PHE H H 1 8.895 0.020 . 1 . . . A 35 PHE H . 19045 1 179 . 1 1 18 18 PHE HA H 1 4.209 0.020 . 1 . . . A 35 PHE HA . 19045 1 180 . 1 1 18 18 PHE HB2 H 1 2.964 0.020 . 1 . . . A 35 PHE HB2 . 19045 1 181 . 1 1 18 18 PHE HB3 H 1 2.964 0.020 . 1 . . . A 35 PHE HB3 . 19045 1 182 . 1 1 18 18 PHE HD1 H 1 7.232 0.020 . 1 . . . A 35 PHE HD1 . 19045 1 183 . 1 1 18 18 PHE HD2 H 1 7.232 0.020 . 1 . . . A 35 PHE HD2 . 19045 1 184 . 1 1 18 18 PHE HE1 H 1 7.376 0.020 . 1 . . . A 35 PHE HE1 . 19045 1 185 . 1 1 18 18 PHE HE2 H 1 7.376 0.020 . 1 . . . A 35 PHE HE2 . 19045 1 186 . 1 1 18 18 PHE HZ H 1 6.664 0.020 . 1 . . . A 35 PHE HZ . 19045 1 187 . 1 1 18 18 PHE CA C 13 61.592 0.3 . 1 . . . A 35 PHE CA . 19045 1 188 . 1 1 18 18 PHE CB C 13 39.066 0.3 . 1 . . . A 35 PHE CB . 19045 1 189 . 1 1 18 18 PHE CD2 C 13 132.283 0.3 . 1 . . . A 35 PHE CD2 . 19045 1 190 . 1 1 18 18 PHE CE2 C 13 131.767 0.3 . 1 . . . A 35 PHE CE2 . 19045 1 191 . 1 1 18 18 PHE CZ C 13 129.262 0.3 . 1 . . . A 35 PHE CZ . 19045 1 192 . 1 1 18 18 PHE N N 15 117.559 0.3 . 1 . . . A 35 PHE N . 19045 1 193 . 1 1 19 19 ARG H H 1 8.182 0.020 . 1 . . . A 36 ARG H . 19045 1 194 . 1 1 19 19 ARG HA H 1 3.555 0.020 . 1 . . . A 36 ARG HA . 19045 1 195 . 1 1 19 19 ARG HB2 H 1 1.798 0.020 . 2 . . . A 36 ARG HB2 . 19045 1 196 . 1 1 19 19 ARG HB3 H 1 1.595 0.020 . 2 . . . A 36 ARG HB3 . 19045 1 197 . 1 1 19 19 ARG HG2 H 1 1.588 0.020 . 1 . . . A 36 ARG HG2 . 19045 1 198 . 1 1 19 19 ARG HG3 H 1 1.588 0.020 . 1 . . . A 36 ARG HG3 . 19045 1 199 . 1 1 19 19 ARG HD2 H 1 3.072 0.020 . 1 . . . A 36 ARG HD2 . 19045 1 200 . 1 1 19 19 ARG HD3 H 1 3.072 0.020 . 1 . . . A 36 ARG HD3 . 19045 1 201 . 1 1 19 19 ARG HE H 1 7.272 0.020 . 1 . . . A 36 ARG HE . 19045 1 202 . 1 1 19 19 ARG CA C 13 59.906 0.3 . 1 . . . A 36 ARG CA . 19045 1 203 . 1 1 19 19 ARG CB C 13 29.654 0.3 . 1 . . . A 36 ARG CB . 19045 1 204 . 1 1 19 19 ARG CG C 13 26.731 0.3 . 1 . . . A 36 ARG CG . 19045 1 205 . 1 1 19 19 ARG CD C 13 43.251 0.3 . 1 . . . A 36 ARG CD . 19045 1 206 . 1 1 19 19 ARG N N 15 116.705 0.3 . 1 . . . A 36 ARG N . 19045 1 207 . 1 1 20 20 SER H H 1 7.845 0.020 . 1 . . . A 37 SER H . 19045 1 208 . 1 1 20 20 SER HA H 1 4.122 0.020 . 1 . . . A 37 SER HA . 19045 1 209 . 1 1 20 20 SER HB2 H 1 4.032 0.020 . 1 . . . A 37 SER HB2 . 19045 1 210 . 1 1 20 20 SER HB3 H 1 4.032 0.020 . 1 . . . A 37 SER HB3 . 19045 1 211 . 1 1 20 20 SER CA C 13 61.258 0.3 . 1 . . . A 37 SER CA . 19045 1 212 . 1 1 20 20 SER CB C 13 63.089 0.3 . 1 . . . A 37 SER CB . 19045 1 213 . 1 1 20 20 SER N N 15 112.628 0.3 . 1 . . . A 37 SER N . 19045 1 214 . 1 1 21 21 TYR H H 1 8.793 0.020 . 1 . . . A 38 TYR H . 19045 1 215 . 1 1 21 21 TYR HA H 1 3.927 0.020 . 1 . . . A 38 TYR HA . 19045 1 216 . 1 1 21 21 TYR HB2 H 1 3.233 0.020 . 2 . . . A 38 TYR HB2 . 19045 1 217 . 1 1 21 21 TYR HB3 H 1 2.999 0.020 . 2 . . . A 38 TYR HB3 . 19045 1 218 . 1 1 21 21 TYR HD1 H 1 6.901 0.020 . 1 . . . A 38 TYR HD1 . 19045 1 219 . 1 1 21 21 TYR HD2 H 1 6.901 0.020 . 1 . . . A 38 TYR HD2 . 19045 1 220 . 1 1 21 21 TYR HE1 H 1 6.457 0.020 . 1 . . . A 38 TYR HE1 . 19045 1 221 . 1 1 21 21 TYR HE2 H 1 6.457 0.020 . 1 . . . A 38 TYR HE2 . 19045 1 222 . 1 1 21 21 TYR CA C 13 62.006 0.3 . 1 . . . A 38 TYR CA . 19045 1 223 . 1 1 21 21 TYR CB C 13 38.892 0.3 . 1 . . . A 38 TYR CB . 19045 1 224 . 1 1 21 21 TYR CD2 C 13 133.176 0.3 . 1 . . . A 38 TYR CD2 . 19045 1 225 . 1 1 21 21 TYR CE2 C 13 117.890 0.3 . 1 . . . A 38 TYR CE2 . 19045 1 226 . 1 1 21 21 TYR N N 15 122.458 0.3 . 1 . . . A 38 TYR N . 19045 1 227 . 1 1 22 22 VAL H H 1 8.348 0.020 . 1 . . . A 39 VAL H . 19045 1 228 . 1 1 22 22 VAL HA H 1 3.209 0.020 . 1 . . . A 39 VAL HA . 19045 1 229 . 1 1 22 22 VAL HB H 1 2.030 0.020 . 1 . . . A 39 VAL HB . 19045 1 230 . 1 1 22 22 VAL HG11 H 1 0.811 0.020 . 1 . . . A 39 VAL HG11 . 19045 1 231 . 1 1 22 22 VAL HG12 H 1 0.811 0.020 . 1 . . . A 39 VAL HG12 . 19045 1 232 . 1 1 22 22 VAL HG13 H 1 0.811 0.020 . 1 . . . A 39 VAL HG13 . 19045 1 233 . 1 1 22 22 VAL HG21 H 1 0.490 0.020 . 1 . . . A 39 VAL HG21 . 19045 1 234 . 1 1 22 22 VAL HG22 H 1 0.490 0.020 . 1 . . . A 39 VAL HG22 . 19045 1 235 . 1 1 22 22 VAL HG23 H 1 0.490 0.020 . 1 . . . A 39 VAL HG23 . 19045 1 236 . 1 1 22 22 VAL CA C 13 65.982 0.3 . 1 . . . A 39 VAL CA . 19045 1 237 . 1 1 22 22 VAL CB C 13 30.884 0.3 . 1 . . . A 39 VAL CB . 19045 1 238 . 1 1 22 22 VAL CG1 C 13 21.427 0.3 . 1 . . . A 39 VAL CG1 . 19045 1 239 . 1 1 22 22 VAL CG2 C 13 22.648 0.3 . 1 . . . A 39 VAL CG2 . 19045 1 240 . 1 1 22 22 VAL N N 15 115.951 0.3 . 1 . . . A 39 VAL N . 19045 1 241 . 1 1 23 23 PHE H H 1 7.596 0.020 . 1 . . . A 40 PHE H . 19045 1 242 . 1 1 23 23 PHE HA H 1 3.915 0.020 . 1 . . . A 40 PHE HA . 19045 1 243 . 1 1 23 23 PHE HB2 H 1 2.903 0.020 . 1 . . . A 40 PHE HB2 . 19045 1 244 . 1 1 23 23 PHE HB3 H 1 2.903 0.020 . 1 . . . A 40 PHE HB3 . 19045 1 245 . 1 1 23 23 PHE HD1 H 1 6.237 0.020 . 1 . . . A 40 PHE HD1 . 19045 1 246 . 1 1 23 23 PHE HD2 H 1 6.237 0.020 . 1 . . . A 40 PHE HD2 . 19045 1 247 . 1 1 23 23 PHE HE1 H 1 6.895 0.020 . 1 . . . A 40 PHE HE1 . 19045 1 248 . 1 1 23 23 PHE HE2 H 1 6.895 0.020 . 1 . . . A 40 PHE HE2 . 19045 1 249 . 1 1 23 23 PHE HZ H 1 6.977 0.020 . 1 . . . A 40 PHE HZ . 19045 1 250 . 1 1 23 23 PHE CA C 13 61.651 0.3 . 1 . . . A 40 PHE CA . 19045 1 251 . 1 1 23 23 PHE CB C 13 39.411 0.3 . 1 . . . A 40 PHE CB . 19045 1 252 . 1 1 23 23 PHE CD2 C 13 132.413 0.3 . 1 . . . A 40 PHE CD2 . 19045 1 253 . 1 1 23 23 PHE CE2 C 13 131.436 0.3 . 1 . . . A 40 PHE CE2 . 19045 1 254 . 1 1 23 23 PHE CZ C 13 130.024 0.3 . 1 . . . A 40 PHE CZ . 19045 1 255 . 1 1 23 23 PHE N N 15 119.608 0.3 . 1 . . . A 40 PHE N . 19045 1 256 . 1 1 24 24 TYR H H 1 8.578 0.020 . 1 . . . A 41 TYR H . 19045 1 257 . 1 1 24 24 TYR HA H 1 3.818 0.020 . 1 . . . A 41 TYR HA . 19045 1 258 . 1 1 24 24 TYR HB2 H 1 2.881 0.020 . 2 . . . A 41 TYR HB2 . 19045 1 259 . 1 1 24 24 TYR HB3 H 1 2.467 0.020 . 2 . . . A 41 TYR HB3 . 19045 1 260 . 1 1 24 24 TYR HD1 H 1 7.223 0.020 . 1 . . . A 41 TYR HD1 . 19045 1 261 . 1 1 24 24 TYR HD2 H 1 7.223 0.020 . 1 . . . A 41 TYR HD2 . 19045 1 262 . 1 1 24 24 TYR HE1 H 1 6.765 0.020 . 1 . . . A 41 TYR HE1 . 19045 1 263 . 1 1 24 24 TYR HE2 H 1 6.765 0.020 . 1 . . . A 41 TYR HE2 . 19045 1 264 . 1 1 24 24 TYR CA C 13 63.446 0.3 . 1 . . . A 41 TYR CA . 19045 1 265 . 1 1 24 24 TYR CB C 13 37.528 0.3 . 1 . . . A 41 TYR CB . 19045 1 266 . 1 1 24 24 TYR CD1 C 13 134.178 0.3 . 1 . . . A 41 TYR CD1 . 19045 1 267 . 1 1 24 24 TYR CE1 C 13 118.786 0.3 . 1 . . . A 41 TYR CE1 . 19045 1 268 . 1 1 24 24 TYR N N 15 117.686 0.3 . 1 . . . A 41 TYR N . 19045 1 269 . 1 1 25 25 ARG H H 1 8.784 0.020 . 1 . . . A 42 ARG H . 19045 1 270 . 1 1 25 25 ARG HA H 1 3.581 0.020 . 1 . . . A 42 ARG HA . 19045 1 271 . 1 1 25 25 ARG HB2 H 1 0.675 0.020 . 1 . . . A 42 ARG HB2 . 19045 1 272 . 1 1 25 25 ARG HB3 H 1 0.675 0.020 . 1 . . . A 42 ARG HB3 . 19045 1 273 . 1 1 25 25 ARG HG2 H 1 0.794 0.020 . 1 . . . A 42 ARG HG2 . 19045 1 274 . 1 1 25 25 ARG HG3 H 1 0.794 0.020 . 1 . . . A 42 ARG HG3 . 19045 1 275 . 1 1 25 25 ARG HD2 H 1 2.643 0.020 . 1 . . . A 42 ARG HD2 . 19045 1 276 . 1 1 25 25 ARG HD3 H 1 2.643 0.020 . 1 . . . A 42 ARG HD3 . 19045 1 277 . 1 1 25 25 ARG HE H 1 7.401 0.020 . 1 . . . A 42 ARG HE . 19045 1 278 . 1 1 25 25 ARG CA C 13 57.999 0.3 . 1 . . . A 42 ARG CA . 19045 1 279 . 1 1 25 25 ARG CB C 13 26.992 0.3 . 1 . . . A 42 ARG CB . 19045 1 280 . 1 1 25 25 ARG CG C 13 26.354 0.3 . 1 . . . A 42 ARG CG . 19045 1 281 . 1 1 25 25 ARG CD C 13 41.674 0.3 . 1 . . . A 42 ARG CD . 19045 1 282 . 1 1 25 25 ARG N N 15 121.382 0.3 . 1 . . . A 42 ARG N . 19045 1 283 . 1 1 26 26 HIS H H 1 8.268 0.020 . 1 . . . A 43 HIS H . 19045 1 284 . 1 1 26 26 HIS HA H 1 4.291 0.020 . 1 . . . A 43 HIS HA . 19045 1 285 . 1 1 26 26 HIS HB2 H 1 3.415 0.020 . 2 . . . A 43 HIS HB2 . 19045 1 286 . 1 1 26 26 HIS HB3 H 1 3.075 0.020 . 2 . . . A 43 HIS HB3 . 19045 1 287 . 1 1 26 26 HIS HD2 H 1 7.331 0.020 . 1 . . . A 43 HIS HD2 . 19045 1 288 . 1 1 26 26 HIS HE1 H 1 8.180 0.020 . 1 . . . A 43 HIS HE1 . 19045 1 289 . 1 1 26 26 HIS CA C 13 60.041 0.3 . 1 . . . A 43 HIS CA . 19045 1 290 . 1 1 26 26 HIS CB C 13 27.938 0.3 . 1 . . . A 43 HIS CB . 19045 1 291 . 1 1 26 26 HIS CD2 C 13 120.681 0.3 . 1 . . . A 43 HIS CD2 . 19045 1 292 . 1 1 26 26 HIS CE1 C 13 136.364 0.3 . 1 . . . A 43 HIS CE1 . 19045 1 293 . 1 1 26 26 HIS N N 15 118.684 0.3 . 1 . . . A 43 HIS N . 19045 1 294 . 1 1 27 27 GLN H H 1 7.722 0.020 . 1 . . . A 44 GLN H . 19045 1 295 . 1 1 27 27 GLN HA H 1 3.638 0.020 . 1 . . . A 44 GLN HA . 19045 1 296 . 1 1 27 27 GLN HB2 H 1 1.850 0.020 . 2 . . . A 44 GLN HB2 . 19045 1 297 . 1 1 27 27 GLN HB3 H 1 1.596 0.020 . 2 . . . A 44 GLN HB3 . 19045 1 298 . 1 1 27 27 GLN HG2 H 1 1.938 0.020 . 2 . . . A 44 GLN HG2 . 19045 1 299 . 1 1 27 27 GLN HG3 H 1 1.847 0.020 . 2 . . . A 44 GLN HG3 . 19045 1 300 . 1 1 27 27 GLN HE21 H 1 6.534 0.020 . 1 . . . A 44 GLN HE21 . 19045 1 301 . 1 1 27 27 GLN HE22 H 1 6.937 0.020 . 1 . . . A 44 GLN HE22 . 19045 1 302 . 1 1 27 27 GLN CA C 13 58.681 0.3 . 1 . . . A 44 GLN CA . 19045 1 303 . 1 1 27 27 GLN CB C 13 28.977 0.3 . 1 . . . A 44 GLN CB . 19045 1 304 . 1 1 27 27 GLN CG C 13 33.994 0.3 . 1 . . . A 44 GLN CG . 19045 1 305 . 1 1 27 27 GLN N N 15 117.841 0.3 . 1 . . . A 44 GLN N . 19045 1 306 . 1 1 27 27 GLN NE2 N 15 111.707 0.3 . 1 . . . A 44 GLN NE2 . 19045 1 307 . 1 1 28 28 GLN H H 1 7.808 0.020 . 1 . . . A 45 GLN H . 19045 1 308 . 1 1 28 28 GLN HA H 1 3.932 0.020 . 1 . . . A 45 GLN HA . 19045 1 309 . 1 1 28 28 GLN HB2 H 1 2.064 0.020 . 1 . . . A 45 GLN HB2 . 19045 1 310 . 1 1 28 28 GLN HB3 H 1 2.064 0.020 . 1 . . . A 45 GLN HB3 . 19045 1 311 . 1 1 28 28 GLN HG2 H 1 2.350 0.020 . 1 . . . A 45 GLN HG2 . 19045 1 312 . 1 1 28 28 GLN HG3 H 1 2.350 0.020 . 1 . . . A 45 GLN HG3 . 19045 1 313 . 1 1 28 28 GLN HE21 H 1 6.271 0.020 . 1 . . . A 45 GLN HE21 . 19045 1 314 . 1 1 28 28 GLN HE22 H 1 7.100 0.020 . 1 . . . A 45 GLN HE22 . 19045 1 315 . 1 1 28 28 GLN CA C 13 57.923 0.3 . 1 . . . A 45 GLN CA . 19045 1 316 . 1 1 28 28 GLN CB C 13 28.039 0.3 . 1 . . . A 45 GLN CB . 19045 1 317 . 1 1 28 28 GLN CG C 13 33.964 0.3 . 1 . . . A 45 GLN CG . 19045 1 318 . 1 1 28 28 GLN N N 15 117.756 0.3 . 1 . . . A 45 GLN N . 19045 1 319 . 1 1 28 28 GLN NE2 N 15 108.245 0.3 . 1 . . . A 45 GLN NE2 . 19045 1 320 . 1 1 29 29 GLU H H 1 7.781 0.020 . 1 . . . A 46 GLU H . 19045 1 321 . 1 1 29 29 GLU HA H 1 3.951 0.020 . 1 . . . A 46 GLU HA . 19045 1 322 . 1 1 29 29 GLU HB2 H 1 1.924 0.020 . 1 . . . A 46 GLU HB2 . 19045 1 323 . 1 1 29 29 GLU HB3 H 1 1.924 0.020 . 1 . . . A 46 GLU HB3 . 19045 1 324 . 1 1 29 29 GLU HG2 H 1 2.450 0.020 . 2 . . . A 46 GLU HG2 . 19045 1 325 . 1 1 29 29 GLU HG3 H 1 2.182 0.020 . 2 . . . A 46 GLU HG3 . 19045 1 326 . 1 1 29 29 GLU CA C 13 58.956 0.3 . 1 . . . A 46 GLU CA . 19045 1 327 . 1 1 29 29 GLU CB C 13 29.166 0.3 . 1 . . . A 46 GLU CB . 19045 1 328 . 1 1 29 29 GLU CG C 13 37.020 0.3 . 1 . . . A 46 GLU CG . 19045 1 329 . 1 1 29 29 GLU N N 15 119.876 0.3 . 1 . . . A 46 GLU N . 19045 1 330 . 1 1 30 30 GLN H H 1 7.775 0.020 . 1 . . . A 47 GLN H . 19045 1 331 . 1 1 30 30 GLN HA H 1 3.800 0.020 . 1 . . . A 47 GLN HA . 19045 1 332 . 1 1 30 30 GLN HB2 H 1 1.882 0.020 . 1 . . . A 47 GLN HB2 . 19045 1 333 . 1 1 30 30 GLN HB3 H 1 1.882 0.020 . 1 . . . A 47 GLN HB3 . 19045 1 334 . 1 1 30 30 GLN HG2 H 1 1.919 0.020 . 1 . . . A 47 GLN HG2 . 19045 1 335 . 1 1 30 30 GLN HG3 H 1 1.919 0.020 . 1 . . . A 47 GLN HG3 . 19045 1 336 . 1 1 30 30 GLN HE21 H 1 6.509 0.020 . 1 . . . A 47 GLN HE21 . 19045 1 337 . 1 1 30 30 GLN HE22 H 1 6.933 0.020 . 1 . . . A 47 GLN HE22 . 19045 1 338 . 1 1 30 30 GLN CA C 13 57.892 0.3 . 1 . . . A 47 GLN CA . 19045 1 339 . 1 1 30 30 GLN CB C 13 28.662 0.3 . 1 . . . A 47 GLN CB . 19045 1 340 . 1 1 30 30 GLN CG C 13 33.668 0.3 . 1 . . . A 47 GLN CG . 19045 1 341 . 1 1 30 30 GLN N N 15 118.282 0.3 . 1 . . . A 47 GLN N . 19045 1 342 . 1 1 30 30 GLN NE2 N 15 111.624 0.3 . 1 . . . A 47 GLN NE2 . 19045 1 343 . 1 1 31 31 GLU H H 1 7.721 0.020 . 1 . . . A 48 GLU H . 19045 1 344 . 1 1 31 31 GLU HA H 1 4.009 0.020 . 1 . . . A 48 GLU HA . 19045 1 345 . 1 1 31 31 GLU HB2 H 1 1.966 0.020 . 1 . . . A 48 GLU HB2 . 19045 1 346 . 1 1 31 31 GLU HB3 H 1 1.966 0.020 . 1 . . . A 48 GLU HB3 . 19045 1 347 . 1 1 31 31 GLU HG2 H 1 2.286 0.020 . 2 . . . A 48 GLU HG2 . 19045 1 348 . 1 1 31 31 GLU HG3 H 1 2.166 0.020 . 2 . . . A 48 GLU HG3 . 19045 1 349 . 1 1 31 31 GLU CA C 13 57.586 0.3 . 1 . . . A 48 GLU CA . 19045 1 350 . 1 1 31 31 GLU CB C 13 28.922 0.3 . 1 . . . A 48 GLU CB . 19045 1 351 . 1 1 31 31 GLU CG C 13 35.583 0.3 . 1 . . . A 48 GLU CG . 19045 1 352 . 1 1 31 31 GLU N N 15 118.519 0.3 . 1 . . . A 48 GLU N . 19045 1 353 . 1 1 32 32 ALA H H 1 7.675 0.020 . 1 . . . A 49 ALA H . 19045 1 354 . 1 1 32 32 ALA HA H 1 4.140 0.020 . 1 . . . A 49 ALA HA . 19045 1 355 . 1 1 32 32 ALA HB1 H 1 1.360 0.020 . 1 . . . A 49 ALA HB1 . 19045 1 356 . 1 1 32 32 ALA HB2 H 1 1.360 0.020 . 1 . . . A 49 ALA HB2 . 19045 1 357 . 1 1 32 32 ALA HB3 H 1 1.360 0.020 . 1 . . . A 49 ALA HB3 . 19045 1 358 . 1 1 32 32 ALA CA C 13 53.389 0.3 . 1 . . . A 49 ALA CA . 19045 1 359 . 1 1 32 32 ALA CB C 13 19.111 0.3 . 1 . . . A 49 ALA CB . 19045 1 360 . 1 1 32 32 ALA N N 15 121.657 0.3 . 1 . . . A 49 ALA N . 19045 1 361 . 1 1 33 33 GLU H H 1 8.106 0.020 . 1 . . . A 50 GLU H . 19045 1 362 . 1 1 33 33 GLU HA H 1 4.182 0.020 . 1 . . . A 50 GLU HA . 19045 1 363 . 1 1 33 33 GLU HB2 H 1 1.890 0.020 . 1 . . . A 50 GLU HB2 . 19045 1 364 . 1 1 33 33 GLU HB3 H 1 1.890 0.020 . 1 . . . A 50 GLU HB3 . 19045 1 365 . 1 1 33 33 GLU HG2 H 1 2.233 0.020 . 1 . . . A 50 GLU HG2 . 19045 1 366 . 1 1 33 33 GLU HG3 H 1 2.233 0.020 . 1 . . . A 50 GLU HG3 . 19045 1 367 . 1 1 33 33 GLU CA C 13 56.420 0.3 . 1 . . . A 50 GLU CA . 19045 1 368 . 1 1 33 33 GLU CB C 13 29.798 0.3 . 1 . . . A 50 GLU CB . 19045 1 369 . 1 1 33 33 GLU CG C 13 36.018 0.3 . 1 . . . A 50 GLU CG . 19045 1 370 . 1 1 33 33 GLU N N 15 116.803 0.3 . 1 . . . A 50 GLU N . 19045 1 371 . 1 1 34 34 GLY H H 1 8.060 0.020 . 1 . . . A 51 GLY H . 19045 1 372 . 1 1 34 34 GLY HA2 H 1 3.933 0.020 . 2 . . . A 51 GLY HA2 . 19045 1 373 . 1 1 34 34 GLY HA3 H 1 3.743 0.020 . 2 . . . A 51 GLY HA3 . 19045 1 374 . 1 1 34 34 GLY CA C 13 45.739 0.3 . 1 . . . A 51 GLY CA . 19045 1 375 . 1 1 34 34 GLY N N 15 109.812 0.3 . 1 . . . A 51 GLY N . 19045 1 376 . 1 1 35 35 VAL H H 1 7.718 0.020 . 1 . . . A 52 VAL H . 19045 1 377 . 1 1 35 35 VAL HA H 1 4.001 0.020 . 1 . . . A 52 VAL HA . 19045 1 378 . 1 1 35 35 VAL HB H 1 2.054 0.020 . 1 . . . A 52 VAL HB . 19045 1 379 . 1 1 35 35 VAL HG11 H 1 0.863 0.020 . 1 . . . A 52 VAL HG11 . 19045 1 380 . 1 1 35 35 VAL HG12 H 1 0.863 0.020 . 1 . . . A 52 VAL HG12 . 19045 1 381 . 1 1 35 35 VAL HG13 H 1 0.863 0.020 . 1 . . . A 52 VAL HG13 . 19045 1 382 . 1 1 35 35 VAL HG21 H 1 0.837 0.020 . 1 . . . A 52 VAL HG21 . 19045 1 383 . 1 1 35 35 VAL HG22 H 1 0.837 0.020 . 1 . . . A 52 VAL HG22 . 19045 1 384 . 1 1 35 35 VAL HG23 H 1 0.837 0.020 . 1 . . . A 52 VAL HG23 . 19045 1 385 . 1 1 35 35 VAL CA C 13 62.175 0.3 . 1 . . . A 52 VAL CA . 19045 1 386 . 1 1 35 35 VAL CB C 13 32.294 0.3 . 1 . . . A 52 VAL CB . 19045 1 387 . 1 1 35 35 VAL CG1 C 13 20.946 0.3 . 1 . . . A 52 VAL CG1 . 19045 1 388 . 1 1 35 35 VAL CG2 C 13 20.095 0.3 . 1 . . . A 52 VAL CG2 . 19045 1 389 . 1 1 35 35 VAL N N 15 118.668 0.3 . 1 . . . A 52 VAL N . 19045 1 390 . 1 1 36 36 ALA H H 1 8.073 0.020 . 1 . . . A 53 ALA H . 19045 1 391 . 1 1 36 36 ALA HA H 1 4.220 0.020 . 1 . . . A 53 ALA HA . 19045 1 392 . 1 1 36 36 ALA HB1 H 1 1.286 0.020 . 1 . . . A 53 ALA HB1 . 19045 1 393 . 1 1 36 36 ALA HB2 H 1 1.286 0.020 . 1 . . . A 53 ALA HB2 . 19045 1 394 . 1 1 36 36 ALA HB3 H 1 1.286 0.020 . 1 . . . A 53 ALA HB3 . 19045 1 395 . 1 1 36 36 ALA CA C 13 51.869 0.3 . 1 . . . A 53 ALA CA . 19045 1 396 . 1 1 36 36 ALA CB C 13 19.065 0.3 . 1 . . . A 53 ALA CB . 19045 1 397 . 1 1 36 36 ALA N N 15 125.624 0.3 . 1 . . . A 53 ALA N . 19045 1 398 . 1 1 37 37 ALA H H 1 7.718 0.020 . 1 . . . A 54 ALA H . 19045 1 399 . 1 1 37 37 ALA HA H 1 4.472 0.020 . 1 . . . A 54 ALA HA . 19045 1 400 . 1 1 37 37 ALA HB1 H 1 1.197 0.020 . 1 . . . A 54 ALA HB1 . 19045 1 401 . 1 1 37 37 ALA HB2 H 1 1.197 0.020 . 1 . . . A 54 ALA HB2 . 19045 1 402 . 1 1 37 37 ALA HB3 H 1 1.197 0.020 . 1 . . . A 54 ALA HB3 . 19045 1 403 . 1 1 37 37 ALA CA C 13 49.869 0.3 . 1 . . . A 54 ALA CA . 19045 1 404 . 1 1 37 37 ALA CB C 13 18.488 0.3 . 1 . . . A 54 ALA CB . 19045 1 405 . 1 1 37 37 ALA N N 15 123.638 0.3 . 1 . . . A 54 ALA N . 19045 1 406 . 1 1 38 38 PRO HA H 1 4.292 0.020 . 1 . . . A 55 PRO HA . 19045 1 407 . 1 1 38 38 PRO HB2 H 1 2.177 0.020 . 2 . . . A 55 PRO HB2 . 19045 1 408 . 1 1 38 38 PRO HB3 H 1 1.771 0.020 . 2 . . . A 55 PRO HB3 . 19045 1 409 . 1 1 38 38 PRO HG2 H 1 1.941 0.020 . 1 . . . A 55 PRO HG2 . 19045 1 410 . 1 1 38 38 PRO HG3 H 1 1.941 0.020 . 1 . . . A 55 PRO HG3 . 19045 1 411 . 1 1 38 38 PRO HD2 H 1 3.705 0.020 . 2 . . . A 55 PRO HD2 . 19045 1 412 . 1 1 38 38 PRO HD3 H 1 3.493 0.020 . 2 . . . A 55 PRO HD3 . 19045 1 413 . 1 1 38 38 PRO CA C 13 62.966 0.3 . 1 . . . A 55 PRO CA . 19045 1 414 . 1 1 38 38 PRO CB C 13 31.754 0.3 . 1 . . . A 55 PRO CB . 19045 1 415 . 1 1 38 38 PRO CG C 13 27.004 0.3 . 1 . . . A 55 PRO CG . 19045 1 416 . 1 1 38 38 PRO CD C 13 50.140 0.3 . 1 . . . A 55 PRO CD . 19045 1 417 . 1 1 39 39 ALA H H 1 8.259 0.020 . 1 . . . A 56 ALA H . 19045 1 418 . 1 1 39 39 ALA HA H 1 4.220 0.020 . 1 . . . A 56 ALA HA . 19045 1 419 . 1 1 39 39 ALA HB1 H 1 1.260 0.020 . 1 . . . A 56 ALA HB1 . 19045 1 420 . 1 1 39 39 ALA HB2 H 1 1.260 0.020 . 1 . . . A 56 ALA HB2 . 19045 1 421 . 1 1 39 39 ALA HB3 H 1 1.260 0.020 . 1 . . . A 56 ALA HB3 . 19045 1 422 . 1 1 39 39 ALA CB C 13 19.119 0.3 . 1 . . . A 56 ALA CB . 19045 1 423 . 1 1 39 39 ALA N N 15 124.218 0.3 . 1 . . . A 56 ALA N . 19045 1 424 . 1 1 40 40 ASP H H 1 7.829 0.020 . 1 . . . A 57 ASP H . 19045 1 425 . 1 1 40 40 ASP HA H 1 4.572 0.020 . 1 . . . A 57 ASP HA . 19045 1 426 . 1 1 40 40 ASP HB2 H 1 2.881 0.020 . 2 . . . A 57 ASP HB2 . 19045 1 427 . 1 1 40 40 ASP HB3 H 1 2.741 0.020 . 2 . . . A 57 ASP HB3 . 19045 1 428 . 1 1 40 40 ASP CA C 13 52.742 0.3 . 1 . . . A 57 ASP CA . 19045 1 429 . 1 1 40 40 ASP CB C 13 41.642 0.3 . 1 . . . A 57 ASP CB . 19045 1 430 . 1 1 40 40 ASP N N 15 120.884 0.3 . 1 . . . A 57 ASP N . 19045 1 431 . 1 1 41 41 PRO HA H 1 4.052 0.020 . 1 . . . A 58 PRO HA . 19045 1 432 . 1 1 41 41 PRO HB2 H 1 2.255 0.020 . 1 . . . A 58 PRO HB2 . 19045 1 433 . 1 1 41 41 PRO HB3 H 1 2.255 0.020 . 1 . . . A 58 PRO HB3 . 19045 1 434 . 1 1 41 41 PRO HG2 H 1 1.925 0.020 . 1 . . . A 58 PRO HG2 . 19045 1 435 . 1 1 41 41 PRO HG3 H 1 1.925 0.020 . 1 . . . A 58 PRO HG3 . 19045 1 436 . 1 1 41 41 PRO HD2 H 1 3.643 0.020 . 2 . . . A 58 PRO HD2 . 19045 1 437 . 1 1 41 41 PRO HD3 H 1 3.588 0.020 . 2 . . . A 58 PRO HD3 . 19045 1 438 . 1 1 41 41 PRO CA C 13 64.128 0.3 . 1 . . . A 58 PRO CA . 19045 1 439 . 1 1 41 41 PRO CB C 13 31.989 0.3 . 1 . . . A 58 PRO CB . 19045 1 440 . 1 1 41 41 PRO CG C 13 26.956 0.3 . 1 . . . A 58 PRO CG . 19045 1 441 . 1 1 41 41 PRO CD C 13 50.803 0.3 . 1 . . . A 58 PRO CD . 19045 1 442 . 1 1 42 42 GLU HA H 1 4.549 0.020 . 1 . . . A 59 GLU HA . 19045 1 443 . 1 1 42 42 GLU CA C 13 54.266 0.3 . 1 . . . A 59 GLU CA . 19045 1 444 . 1 1 42 42 GLU CB C 13 29.285 0.3 . 1 . . . A 59 GLU CB . 19045 1 445 . 1 1 42 42 GLU CG C 13 35.497 0.3 . 1 . . . A 59 GLU CG . 19045 1 446 . 1 1 43 43 MET H H 1 7.070 0.020 . 1 . . . A 60 MET H . 19045 1 447 . 1 1 43 43 MET HA H 1 3.846 0.020 . 1 . . . A 60 MET HA . 19045 1 448 . 1 1 43 43 MET HB2 H 1 1.626 0.020 . 2 . . . A 60 MET HB2 . 19045 1 449 . 1 1 43 43 MET HB3 H 1 1.286 0.020 . 2 . . . A 60 MET HB3 . 19045 1 450 . 1 1 43 43 MET HG2 H 1 2.129 0.020 . 1 . . . A 60 MET HG2 . 19045 1 451 . 1 1 43 43 MET HG3 H 1 2.129 0.020 . 1 . . . A 60 MET HG3 . 19045 1 452 . 1 1 43 43 MET HE1 H 1 1.662 0.020 . 1 . . . A 60 MET HE1 . 19045 1 453 . 1 1 43 43 MET HE2 H 1 1.662 0.020 . 1 . . . A 60 MET HE2 . 19045 1 454 . 1 1 43 43 MET HE3 H 1 1.662 0.020 . 1 . . . A 60 MET HE3 . 19045 1 455 . 1 1 43 43 MET CA C 13 57.219 0.3 . 1 . . . A 60 MET CA . 19045 1 456 . 1 1 43 43 MET CB C 13 31.894 0.3 . 1 . . . A 60 MET CB . 19045 1 457 . 1 1 43 43 MET CG C 13 34.365 0.3 . 1 . . . A 60 MET CG . 19045 1 458 . 1 1 43 43 MET CE C 13 18.596 0.3 . 1 . . . A 60 MET CE . 19045 1 459 . 1 1 44 44 VAL H H 1 6.833 0.020 . 1 . . . A 61 VAL H . 19045 1 460 . 1 1 44 44 VAL HA H 1 4.051 0.020 . 1 . . . A 61 VAL HA . 19045 1 461 . 1 1 44 44 VAL HB H 1 2.124 0.020 . 1 . . . A 61 VAL HB . 19045 1 462 . 1 1 44 44 VAL HG11 H 1 0.817 0.020 . 1 . . . A 61 VAL HG11 . 19045 1 463 . 1 1 44 44 VAL HG12 H 1 0.817 0.020 . 1 . . . A 61 VAL HG12 . 19045 1 464 . 1 1 44 44 VAL HG13 H 1 0.817 0.020 . 1 . . . A 61 VAL HG13 . 19045 1 465 . 1 1 44 44 VAL HG21 H 1 0.770 0.020 . 1 . . . A 61 VAL HG21 . 19045 1 466 . 1 1 44 44 VAL HG22 H 1 0.770 0.020 . 1 . . . A 61 VAL HG22 . 19045 1 467 . 1 1 44 44 VAL HG23 H 1 0.770 0.020 . 1 . . . A 61 VAL HG23 . 19045 1 468 . 1 1 44 44 VAL CA C 13 62.799 0.3 . 1 . . . A 61 VAL CA . 19045 1 469 . 1 1 44 44 VAL CB C 13 31.993 0.3 . 1 . . . A 61 VAL CB . 19045 1 470 . 1 1 44 44 VAL CG1 C 13 20.807 0.3 . 1 . . . A 61 VAL CG1 . 19045 1 471 . 1 1 44 44 VAL CG2 C 13 21.375 0.3 . 1 . . . A 61 VAL CG2 . 19045 1 472 . 1 1 44 44 VAL N N 15 113.014 0.3 . 1 . . . A 61 VAL N . 19045 1 473 . 1 1 45 45 THR H H 1 7.101 0.020 . 1 . . . A 62 THR H . 19045 1 474 . 1 1 45 45 THR HA H 1 4.230 0.020 . 1 . . . A 62 THR HA . 19045 1 475 . 1 1 45 45 THR HB H 1 4.156 0.020 . 1 . . . A 62 THR HB . 19045 1 476 . 1 1 45 45 THR HG21 H 1 1.064 0.020 . 1 . . . A 62 THR HG21 . 19045 1 477 . 1 1 45 45 THR HG22 H 1 1.064 0.020 . 1 . . . A 62 THR HG22 . 19045 1 478 . 1 1 45 45 THR HG23 H 1 1.064 0.020 . 1 . . . A 62 THR HG23 . 19045 1 479 . 1 1 45 45 THR CA C 13 60.947 0.3 . 1 . . . A 62 THR CA . 19045 1 480 . 1 1 45 45 THR CB C 13 69.192 0.3 . 1 . . . A 62 THR CB . 19045 1 481 . 1 1 45 45 THR CG2 C 13 20.951 0.3 . 1 . . . A 62 THR CG2 . 19045 1 482 . 1 1 45 45 THR N N 15 110.188 0.3 . 1 . . . A 62 THR N . 19045 1 483 . 1 1 46 46 LEU H H 1 7.079 0.020 . 1 . . . A 63 LEU H . 19045 1 484 . 1 1 46 46 LEU HA H 1 4.205 0.020 . 1 . . . A 63 LEU HA . 19045 1 485 . 1 1 46 46 LEU HB2 H 1 1.208 0.020 . 1 . . . A 63 LEU HB2 . 19045 1 486 . 1 1 46 46 LEU HB3 H 1 1.208 0.020 . 1 . . . A 63 LEU HB3 . 19045 1 487 . 1 1 46 46 LEU HG H 1 1.141 0.020 . 1 . . . A 63 LEU HG . 19045 1 488 . 1 1 46 46 LEU HD11 H 1 0.651 0.020 . 1 . . . A 63 LEU HD11 . 19045 1 489 . 1 1 46 46 LEU HD12 H 1 0.651 0.020 . 1 . . . A 63 LEU HD12 . 19045 1 490 . 1 1 46 46 LEU HD13 H 1 0.651 0.020 . 1 . . . A 63 LEU HD13 . 19045 1 491 . 1 1 46 46 LEU HD21 H 1 0.689 0.020 . 1 . . . A 63 LEU HD21 . 19045 1 492 . 1 1 46 46 LEU HD22 H 1 0.689 0.020 . 1 . . . A 63 LEU HD22 . 19045 1 493 . 1 1 46 46 LEU HD23 H 1 0.689 0.020 . 1 . . . A 63 LEU HD23 . 19045 1 494 . 1 1 46 46 LEU CA C 13 52.688 0.3 . 1 . . . A 63 LEU CA . 19045 1 495 . 1 1 46 46 LEU CB C 13 42.252 0.3 . 1 . . . A 63 LEU CB . 19045 1 496 . 1 1 46 46 LEU CG C 13 26.485 0.3 . 1 . . . A 63 LEU CG . 19045 1 497 . 1 1 46 46 LEU CD1 C 13 24.715 0.3 . 1 . . . A 63 LEU CD1 . 19045 1 498 . 1 1 46 46 LEU CD2 C 13 25.263 0.3 . 1 . . . A 63 LEU CD2 . 19045 1 499 . 1 1 46 46 LEU N N 15 125.158 0.3 . 1 . . . A 63 LEU N . 19045 1 500 . 1 1 47 47 PRO HA H 1 4.282 0.020 . 1 . . . A 64 PRO HA . 19045 1 501 . 1 1 47 47 PRO HB2 H 1 1.959 0.020 . 2 . . . A 64 PRO HB2 . 19045 1 502 . 1 1 47 47 PRO HB3 H 1 1.793 0.020 . 2 . . . A 64 PRO HB3 . 19045 1 503 . 1 1 47 47 PRO HG2 H 1 1.820 0.020 . 1 . . . A 64 PRO HG2 . 19045 1 504 . 1 1 47 47 PRO HG3 H 1 1.820 0.020 . 1 . . . A 64 PRO HG3 . 19045 1 505 . 1 1 47 47 PRO HD2 H 1 3.603 0.020 . 2 . . . A 64 PRO HD2 . 19045 1 506 . 1 1 47 47 PRO HD3 H 1 3.285 0.020 . 2 . . . A 64 PRO HD3 . 19045 1 507 . 1 1 47 47 PRO CA C 13 62.613 0.3 . 1 . . . A 64 PRO CA . 19045 1 508 . 1 1 47 47 PRO CB C 13 30.705 0.3 . 1 . . . A 64 PRO CB . 19045 1 509 . 1 1 47 47 PRO CG C 13 27.289 0.3 . 1 . . . A 64 PRO CG . 19045 1 510 . 1 1 47 47 PRO CD C 13 50.233 0.3 . 1 . . . A 64 PRO CD . 19045 1 511 . 1 1 48 48 LEU H H 1 7.653 0.020 . 1 . . . A 65 LEU H . 19045 1 512 . 1 1 48 48 LEU HA H 1 4.234 0.020 . 1 . . . A 65 LEU HA . 19045 1 513 . 1 1 48 48 LEU HB2 H 1 1.283 0.020 . 2 . . . A 65 LEU HB2 . 19045 1 514 . 1 1 48 48 LEU HB3 H 1 1.217 0.020 . 2 . . . A 65 LEU HB3 . 19045 1 515 . 1 1 48 48 LEU HG H 1 1.123 0.020 . 1 . . . A 65 LEU HG . 19045 1 516 . 1 1 48 48 LEU HD11 H 1 0.447 0.020 . 1 . . . A 65 LEU HD11 . 19045 1 517 . 1 1 48 48 LEU HD12 H 1 0.447 0.020 . 1 . . . A 65 LEU HD12 . 19045 1 518 . 1 1 48 48 LEU HD13 H 1 0.447 0.020 . 1 . . . A 65 LEU HD13 . 19045 1 519 . 1 1 48 48 LEU HD21 H 1 0.422 0.020 . 1 . . . A 65 LEU HD21 . 19045 1 520 . 1 1 48 48 LEU HD22 H 1 0.422 0.020 . 1 . . . A 65 LEU HD22 . 19045 1 521 . 1 1 48 48 LEU HD23 H 1 0.422 0.020 . 1 . . . A 65 LEU HD23 . 19045 1 522 . 1 1 48 48 LEU CA C 13 54.499 0.3 . 1 . . . A 65 LEU CA . 19045 1 523 . 1 1 48 48 LEU CB C 13 43.438 0.3 . 1 . . . A 65 LEU CB . 19045 1 524 . 1 1 48 48 LEU CG C 13 26.635 0.3 . 1 . . . A 65 LEU CG . 19045 1 525 . 1 1 48 48 LEU CD1 C 13 24.719 0.3 . 1 . . . A 65 LEU CD1 . 19045 1 526 . 1 1 48 48 LEU CD2 C 13 23.756 0.3 . 1 . . . A 65 LEU CD2 . 19045 1 527 . 1 1 48 48 LEU N N 15 122.384 0.3 . 1 . . . A 65 LEU N . 19045 1 528 . 1 1 49 49 GLN H H 1 8.634 0.020 . 1 . . . A 66 GLN H . 19045 1 529 . 1 1 49 49 GLN HA H 1 4.209 0.020 . 1 . . . A 66 GLN HA . 19045 1 530 . 1 1 49 49 GLN HB2 H 1 1.978 0.020 . 2 . . . A 66 GLN HB2 . 19045 1 531 . 1 1 49 49 GLN HB3 H 1 1.830 0.020 . 2 . . . A 66 GLN HB3 . 19045 1 532 . 1 1 49 49 GLN HG2 H 1 2.264 0.020 . 2 . . . A 66 GLN HG2 . 19045 1 533 . 1 1 49 49 GLN HG3 H 1 2.211 0.020 . 2 . . . A 66 GLN HG3 . 19045 1 534 . 1 1 49 49 GLN HE21 H 1 6.645 0.020 . 1 . . . A 66 GLN HE21 . 19045 1 535 . 1 1 49 49 GLN HE22 H 1 7.113 0.020 . 1 . . . A 66 GLN HE22 . 19045 1 536 . 1 1 49 49 GLN CA C 13 52.783 0.3 . 1 . . . A 66 GLN CA . 19045 1 537 . 1 1 49 49 GLN CB C 13 28.136 0.3 . 1 . . . A 66 GLN CB . 19045 1 538 . 1 1 49 49 GLN CG C 13 33.537 0.3 . 1 . . . A 66 GLN CG . 19045 1 539 . 1 1 49 49 GLN N N 15 121.802 0.3 . 1 . . . A 66 GLN N . 19045 1 540 . 1 1 49 49 GLN NE2 N 15 109.983 0.3 . 1 . . . A 66 GLN NE2 . 19045 1 541 . 1 1 50 50 PRO HA H 1 4.139 0.020 . 1 . . . A 67 PRO HA . 19045 1 542 . 1 1 50 50 PRO HB2 H 1 2.246 0.020 . 2 . . . A 67 PRO HB2 . 19045 1 543 . 1 1 50 50 PRO HB3 H 1 1.871 0.020 . 2 . . . A 67 PRO HB3 . 19045 1 544 . 1 1 50 50 PRO HG2 H 1 1.937 0.020 . 2 . . . A 67 PRO HG2 . 19045 1 545 . 1 1 50 50 PRO HG3 H 1 1.798 0.020 . 2 . . . A 67 PRO HG3 . 19045 1 546 . 1 1 50 50 PRO HD2 H 1 3.703 0.020 . 2 . . . A 67 PRO HD2 . 19045 1 547 . 1 1 50 50 PRO HD3 H 1 3.612 0.020 . 2 . . . A 67 PRO HD3 . 19045 1 548 . 1 1 50 50 PRO CA C 13 64.488 0.3 . 1 . . . A 67 PRO CA . 19045 1 549 . 1 1 50 50 PRO CB C 13 32.003 0.3 . 1 . . . A 67 PRO CB . 19045 1 550 . 1 1 50 50 PRO CG C 13 27.172 0.3 . 1 . . . A 67 PRO CG . 19045 1 551 . 1 1 50 50 PRO CD C 13 50.494 0.3 . 1 . . . A 67 PRO CD . 19045 1 552 . 1 1 51 51 SER H H 1 8.119 0.020 . 1 . . . A 68 SER H . 19045 1 553 . 1 1 51 51 SER HA H 1 4.313 0.020 . 1 . . . A 68 SER HA . 19045 1 554 . 1 1 51 51 SER HB2 H 1 3.876 0.020 . 2 . . . A 68 SER HB2 . 19045 1 555 . 1 1 51 51 SER HB3 H 1 3.788 0.020 . 2 . . . A 68 SER HB3 . 19045 1 556 . 1 1 51 51 SER CA C 13 57.991 0.3 . 1 . . . A 68 SER CA . 19045 1 557 . 1 1 51 51 SER CB C 13 63.252 0.3 . 1 . . . A 68 SER CB . 19045 1 558 . 1 1 51 51 SER N N 15 111.024 0.3 . 1 . . . A 68 SER N . 19045 1 559 . 1 1 52 52 SER H H 1 7.723 0.020 . 1 . . . A 69 SER H . 19045 1 560 . 1 1 52 52 SER HA H 1 4.440 0.020 . 1 . . . A 69 SER HA . 19045 1 561 . 1 1 52 52 SER HB2 H 1 4.174 0.020 . 2 . . . A 69 SER HB2 . 19045 1 562 . 1 1 52 52 SER HB3 H 1 3.900 0.020 . 2 . . . A 69 SER HB3 . 19045 1 563 . 1 1 52 52 SER CA C 13 57.518 0.3 . 1 . . . A 69 SER CA . 19045 1 564 . 1 1 52 52 SER CB C 13 64.587 0.3 . 1 . . . A 69 SER CB . 19045 1 565 . 1 1 52 52 SER N N 15 117.598 0.3 . 1 . . . A 69 SER N . 19045 1 566 . 1 1 53 53 THR H H 1 8.827 0.020 . 1 . . . A 70 THR H . 19045 1 567 . 1 1 53 53 THR HA H 1 3.873 0.020 . 1 . . . A 70 THR HA . 19045 1 568 . 1 1 53 53 THR HB H 1 3.977 0.020 . 1 . . . A 70 THR HB . 19045 1 569 . 1 1 53 53 THR HG21 H 1 1.144 0.020 . 1 . . . A 70 THR HG21 . 19045 1 570 . 1 1 53 53 THR HG22 H 1 1.144 0.020 . 1 . . . A 70 THR HG22 . 19045 1 571 . 1 1 53 53 THR HG23 H 1 1.144 0.020 . 1 . . . A 70 THR HG23 . 19045 1 572 . 1 1 53 53 THR CA C 13 66.723 0.3 . 1 . . . A 70 THR CA . 19045 1 573 . 1 1 53 53 THR CB C 13 68.385 0.3 . 1 . . . A 70 THR CB . 19045 1 574 . 1 1 53 53 THR CG2 C 13 22.296 0.3 . 1 . . . A 70 THR CG2 . 19045 1 575 . 1 1 53 53 THR N N 15 121.887 0.3 . 1 . . . A 70 THR N . 19045 1 576 . 1 1 54 54 MET H H 1 8.454 0.020 . 1 . . . A 71 MET H . 19045 1 577 . 1 1 54 54 MET HA H 1 4.469 0.020 . 1 . . . A 71 MET HA . 19045 1 578 . 1 1 54 54 MET HB2 H 1 1.910 0.020 . 2 . . . A 71 MET HB2 . 19045 1 579 . 1 1 54 54 MET HB3 H 1 1.434 0.020 . 2 . . . A 71 MET HB3 . 19045 1 580 . 1 1 54 54 MET HG2 H 1 2.965 0.020 . 2 . . . A 71 MET HG2 . 19045 1 581 . 1 1 54 54 MET HG3 H 1 2.395 0.020 . 2 . . . A 71 MET HG3 . 19045 1 582 . 1 1 54 54 MET HE1 H 1 2.026 0.020 . 1 . . . A 71 MET HE1 . 19045 1 583 . 1 1 54 54 MET HE2 H 1 2.026 0.020 . 1 . . . A 71 MET HE2 . 19045 1 584 . 1 1 54 54 MET HE3 H 1 2.026 0.020 . 1 . . . A 71 MET HE3 . 19045 1 585 . 1 1 54 54 MET CA C 13 56.260 0.3 . 1 . . . A 71 MET CA . 19045 1 586 . 1 1 54 54 MET CB C 13 31.696 0.3 . 1 . . . A 71 MET CB . 19045 1 587 . 1 1 54 54 MET CG C 13 33.786 0.3 . 1 . . . A 71 MET CG . 19045 1 588 . 1 1 54 54 MET CE C 13 20.496 0.3 . 1 . . . A 71 MET CE . 19045 1 589 . 1 1 54 54 MET N N 15 117.344 0.3 . 1 . . . A 71 MET N . 19045 1 590 . 1 1 55 55 GLY H H 1 7.979 0.020 . 1 . . . A 72 GLY H . 19045 1 591 . 1 1 55 55 GLY HA2 H 1 3.853 0.020 . 1 . . . A 72 GLY HA2 . 19045 1 592 . 1 1 55 55 GLY HA3 H 1 3.853 0.020 . 1 . . . A 72 GLY HA3 . 19045 1 593 . 1 1 55 55 GLY CA C 13 46.884 0.3 . 1 . . . A 72 GLY CA . 19045 1 594 . 1 1 55 55 GLY N N 15 108.884 0.3 . 1 . . . A 72 GLY N . 19045 1 595 . 1 1 56 56 GLN H H 1 7.859 0.020 . 1 . . . A 73 GLN H . 19045 1 596 . 1 1 56 56 GLN HA H 1 3.857 0.020 . 1 . . . A 73 GLN HA . 19045 1 597 . 1 1 56 56 GLN HB2 H 1 2.273 0.020 . 2 . . . A 73 GLN HB2 . 19045 1 598 . 1 1 56 56 GLN HB3 H 1 2.036 0.020 . 2 . . . A 73 GLN HB3 . 19045 1 599 . 1 1 56 56 GLN HG2 H 1 2.429 0.020 . 1 . . . A 73 GLN HG2 . 19045 1 600 . 1 1 56 56 GLN HG3 H 1 2.429 0.020 . 1 . . . A 73 GLN HG3 . 19045 1 601 . 1 1 56 56 GLN HE21 H 1 6.812 0.020 . 1 . . . A 73 GLN HE21 . 19045 1 602 . 1 1 56 56 GLN HE22 H 1 7.348 0.020 . 1 . . . A 73 GLN HE22 . 19045 1 603 . 1 1 56 56 GLN CA C 13 58.220 0.3 . 1 . . . A 73 GLN CA . 19045 1 604 . 1 1 56 56 GLN CB C 13 28.309 0.3 . 1 . . . A 73 GLN CB . 19045 1 605 . 1 1 56 56 GLN CG C 13 33.195 0.3 . 1 . . . A 73 GLN CG . 19045 1 606 . 1 1 56 56 GLN N N 15 121.522 0.3 . 1 . . . A 73 GLN N . 19045 1 607 . 1 1 56 56 GLN NE2 N 15 110.863 0.3 . 1 . . . A 73 GLN NE2 . 19045 1 608 . 1 1 57 57 VAL H H 1 8.155 0.020 . 1 . . . A 74 VAL H . 19045 1 609 . 1 1 57 57 VAL HA H 1 3.359 0.020 . 1 . . . A 74 VAL HA . 19045 1 610 . 1 1 57 57 VAL HB H 1 2.218 0.020 . 1 . . . A 74 VAL HB . 19045 1 611 . 1 1 57 57 VAL HG11 H 1 0.956 0.020 . 1 . . . A 74 VAL HG11 . 19045 1 612 . 1 1 57 57 VAL HG12 H 1 0.956 0.020 . 1 . . . A 74 VAL HG12 . 19045 1 613 . 1 1 57 57 VAL HG13 H 1 0.956 0.020 . 1 . . . A 74 VAL HG13 . 19045 1 614 . 1 1 57 57 VAL HG21 H 1 0.865 0.020 . 1 . . . A 74 VAL HG21 . 19045 1 615 . 1 1 57 57 VAL HG22 H 1 0.865 0.020 . 1 . . . A 74 VAL HG22 . 19045 1 616 . 1 1 57 57 VAL HG23 H 1 0.865 0.020 . 1 . . . A 74 VAL HG23 . 19045 1 617 . 1 1 57 57 VAL CA C 13 67.150 0.3 . 1 . . . A 74 VAL CA . 19045 1 618 . 1 1 57 57 VAL CB C 13 31.249 0.3 . 1 . . . A 74 VAL CB . 19045 1 619 . 1 1 57 57 VAL CG1 C 13 22.882 0.3 . 1 . . . A 74 VAL CG1 . 19045 1 620 . 1 1 57 57 VAL CG2 C 13 22.656 0.3 . 1 . . . A 74 VAL CG2 . 19045 1 621 . 1 1 57 57 VAL N N 15 121.291 0.3 . 1 . . . A 74 VAL N . 19045 1 622 . 1 1 58 58 GLY H H 1 8.154 0.020 . 1 . . . A 75 GLY H . 19045 1 623 . 1 1 58 58 GLY HA2 H 1 4.109 0.020 . 2 . . . A 75 GLY HA2 . 19045 1 624 . 1 1 58 58 GLY HA3 H 1 3.521 0.020 . 2 . . . A 75 GLY HA3 . 19045 1 625 . 1 1 58 58 GLY CA C 13 48.385 0.3 . 1 . . . A 75 GLY CA . 19045 1 626 . 1 1 58 58 GLY N N 15 105.037 0.3 . 1 . . . A 75 GLY N . 19045 1 627 . 1 1 59 59 ARG H H 1 7.512 0.020 . 1 . . . A 76 ARG H . 19045 1 628 . 1 1 59 59 ARG HA H 1 3.320 0.020 . 1 . . . A 76 ARG HA . 19045 1 629 . 1 1 59 59 ARG HB2 H 1 1.500 0.020 . 2 . . . A 76 ARG HB2 . 19045 1 630 . 1 1 59 59 ARG HB3 H 1 0.967 0.020 . 2 . . . A 76 ARG HB3 . 19045 1 631 . 1 1 59 59 ARG HG2 H 1 0.303 0.020 . 2 . . . A 76 ARG HG2 . 19045 1 632 . 1 1 59 59 ARG HG3 H 1 0.146 0.020 . 2 . . . A 76 ARG HG3 . 19045 1 633 . 1 1 59 59 ARG HD2 H 1 2.595 0.020 . 2 . . . A 76 ARG HD2 . 19045 1 634 . 1 1 59 59 ARG HD3 H 1 2.450 0.020 . 2 . . . A 76 ARG HD3 . 19045 1 635 . 1 1 59 59 ARG HE H 1 6.904 0.020 . 1 . . . A 76 ARG HE . 19045 1 636 . 1 1 59 59 ARG CA C 13 59.540 0.3 . 1 . . . A 76 ARG CA . 19045 1 637 . 1 1 59 59 ARG CB C 13 30.130 0.3 . 1 . . . A 76 ARG CB . 19045 1 638 . 1 1 59 59 ARG CG C 13 26.620 0.3 . 1 . . . A 76 ARG CG . 19045 1 639 . 1 1 59 59 ARG CD C 13 43.264 0.3 . 1 . . . A 76 ARG CD . 19045 1 640 . 1 1 59 59 ARG N N 15 119.292 0.3 . 1 . . . A 76 ARG N . 19045 1 641 . 1 1 60 60 GLN H H 1 7.852 0.020 . 1 . . . A 77 GLN H . 19045 1 642 . 1 1 60 60 GLN HA H 1 3.951 0.020 . 1 . . . A 77 GLN HA . 19045 1 643 . 1 1 60 60 GLN HB2 H 1 2.027 0.020 . 1 . . . A 77 GLN HB2 . 19045 1 644 . 1 1 60 60 GLN HB3 H 1 2.027 0.020 . 1 . . . A 77 GLN HB3 . 19045 1 645 . 1 1 60 60 GLN HG2 H 1 2.276 0.020 . 1 . . . A 77 GLN HG2 . 19045 1 646 . 1 1 60 60 GLN HG3 H 1 2.276 0.020 . 1 . . . A 77 GLN HG3 . 19045 1 647 . 1 1 60 60 GLN HE21 H 1 6.712 0.020 . 1 . . . A 77 GLN HE21 . 19045 1 648 . 1 1 60 60 GLN HE22 H 1 7.401 0.020 . 1 . . . A 77 GLN HE22 . 19045 1 649 . 1 1 60 60 GLN CA C 13 58.337 0.3 . 1 . . . A 77 GLN CA . 19045 1 650 . 1 1 60 60 GLN CB C 13 27.512 0.3 . 1 . . . A 77 GLN CB . 19045 1 651 . 1 1 60 60 GLN CG C 13 33.252 0.3 . 1 . . . A 77 GLN CG . 19045 1 652 . 1 1 60 60 GLN N N 15 118.008 0.3 . 1 . . . A 77 GLN N . 19045 1 653 . 1 1 60 60 GLN NE2 N 15 111.967 0.3 . 1 . . . A 77 GLN NE2 . 19045 1 654 . 1 1 61 61 LEU H H 1 8.412 0.020 . 1 . . . A 78 LEU H . 19045 1 655 . 1 1 61 61 LEU HA H 1 4.078 0.020 . 1 . . . A 78 LEU HA . 19045 1 656 . 1 1 61 61 LEU HB2 H 1 2.053 0.020 . 2 . . . A 78 LEU HB2 . 19045 1 657 . 1 1 61 61 LEU HB3 H 1 1.440 0.020 . 2 . . . A 78 LEU HB3 . 19045 1 658 . 1 1 61 61 LEU HG H 1 0.771 0.020 . 1 . . . A 78 LEU HG . 19045 1 659 . 1 1 61 61 LEU HD11 H 1 0.680 0.020 . 1 . . . A 78 LEU HD11 . 19045 1 660 . 1 1 61 61 LEU HD12 H 1 0.680 0.020 . 1 . . . A 78 LEU HD12 . 19045 1 661 . 1 1 61 61 LEU HD13 H 1 0.680 0.020 . 1 . . . A 78 LEU HD13 . 19045 1 662 . 1 1 61 61 LEU HD21 H 1 0.680 0.020 . 1 . . . A 78 LEU HD21 . 19045 1 663 . 1 1 61 61 LEU HD22 H 1 0.680 0.020 . 1 . . . A 78 LEU HD22 . 19045 1 664 . 1 1 61 61 LEU HD23 H 1 0.680 0.020 . 1 . . . A 78 LEU HD23 . 19045 1 665 . 1 1 61 61 LEU CA C 13 57.391 0.3 . 1 . . . A 78 LEU CA . 19045 1 666 . 1 1 61 61 LEU CB C 13 40.999 0.3 . 1 . . . A 78 LEU CB . 19045 1 667 . 1 1 61 61 LEU CG C 13 27.108 0.3 . 1 . . . A 78 LEU CG . 19045 1 668 . 1 1 61 61 LEU CD1 C 13 26.200 0.3 . 1 . . . A 78 LEU CD1 . 19045 1 669 . 1 1 61 61 LEU N N 15 116.018 0.3 . 1 . . . A 78 LEU N . 19045 1 670 . 1 1 62 62 ALA H H 1 7.789 0.020 . 1 . . . A 79 ALA H . 19045 1 671 . 1 1 62 62 ALA HA H 1 3.896 0.020 . 1 . . . A 79 ALA HA . 19045 1 672 . 1 1 62 62 ALA HB1 H 1 1.130 0.020 . 1 . . . A 79 ALA HB1 . 19045 1 673 . 1 1 62 62 ALA HB2 H 1 1.130 0.020 . 1 . . . A 79 ALA HB2 . 19045 1 674 . 1 1 62 62 ALA HB3 H 1 1.130 0.020 . 1 . . . A 79 ALA HB3 . 19045 1 675 . 1 1 62 62 ALA CA C 13 54.789 0.3 . 1 . . . A 79 ALA CA . 19045 1 676 . 1 1 62 62 ALA CB C 13 17.880 0.3 . 1 . . . A 79 ALA CB . 19045 1 677 . 1 1 62 62 ALA N N 15 120.914 0.3 . 1 . . . A 79 ALA N . 19045 1 678 . 1 1 63 63 ILE H H 1 7.690 0.020 . 1 . . . A 80 ILE H . 19045 1 679 . 1 1 63 63 ILE HA H 1 3.895 0.020 . 1 . . . A 80 ILE HA . 19045 1 680 . 1 1 63 63 ILE HB H 1 1.861 0.020 . 1 . . . A 80 ILE HB . 19045 1 681 . 1 1 63 63 ILE HG12 H 1 1.498 0.020 . 2 . . . A 80 ILE HG12 . 19045 1 682 . 1 1 63 63 ILE HG13 H 1 1.060 0.020 . 2 . . . A 80 ILE HG13 . 19045 1 683 . 1 1 63 63 ILE HG21 H 1 0.796 0.020 . 1 . . . A 80 ILE HG21 . 19045 1 684 . 1 1 63 63 ILE HG22 H 1 0.796 0.020 . 1 . . . A 80 ILE HG22 . 19045 1 685 . 1 1 63 63 ILE HG23 H 1 0.796 0.020 . 1 . . . A 80 ILE HG23 . 19045 1 686 . 1 1 63 63 ILE HD11 H 1 0.646 0.020 . 1 . . . A 80 ILE HD11 . 19045 1 687 . 1 1 63 63 ILE HD12 H 1 0.646 0.020 . 1 . . . A 80 ILE HD12 . 19045 1 688 . 1 1 63 63 ILE HD13 H 1 0.646 0.020 . 1 . . . A 80 ILE HD13 . 19045 1 689 . 1 1 63 63 ILE CA C 13 63.576 0.3 . 1 . . . A 80 ILE CA . 19045 1 690 . 1 1 63 63 ILE CB C 13 38.607 0.3 . 1 . . . A 80 ILE CB . 19045 1 691 . 1 1 63 63 ILE CG1 C 13 28.353 0.3 . 1 . . . A 80 ILE CG1 . 19045 1 692 . 1 1 63 63 ILE CG2 C 13 17.030 0.3 . 1 . . . A 80 ILE CG2 . 19045 1 693 . 1 1 63 63 ILE CD1 C 13 13.384 0.3 . 1 . . . A 80 ILE CD1 . 19045 1 694 . 1 1 63 63 ILE N N 15 117.984 0.3 . 1 . . . A 80 ILE N . 19045 1 695 . 1 1 64 64 ILE H H 1 7.910 0.020 . 1 . . . A 81 ILE H . 19045 1 696 . 1 1 64 64 ILE HA H 1 3.984 0.020 . 1 . . . A 81 ILE HA . 19045 1 697 . 1 1 64 64 ILE HB H 1 2.004 0.020 . 1 . . . A 81 ILE HB . 19045 1 698 . 1 1 64 64 ILE HG12 H 1 1.473 0.020 . 2 . . . A 81 ILE HG12 . 19045 1 699 . 1 1 64 64 ILE HG13 H 1 1.282 0.020 . 2 . . . A 81 ILE HG13 . 19045 1 700 . 1 1 64 64 ILE HG21 H 1 0.920 0.020 . 1 . . . A 81 ILE HG21 . 19045 1 701 . 1 1 64 64 ILE HG22 H 1 0.920 0.020 . 1 . . . A 81 ILE HG22 . 19045 1 702 . 1 1 64 64 ILE HG23 H 1 0.920 0.020 . 1 . . . A 81 ILE HG23 . 19045 1 703 . 1 1 64 64 ILE HD11 H 1 0.750 0.020 . 1 . . . A 81 ILE HD11 . 19045 1 704 . 1 1 64 64 ILE HD12 H 1 0.750 0.020 . 1 . . . A 81 ILE HD12 . 19045 1 705 . 1 1 64 64 ILE HD13 H 1 0.750 0.020 . 1 . . . A 81 ILE HD13 . 19045 1 706 . 1 1 64 64 ILE CA C 13 63.608 0.3 . 1 . . . A 81 ILE CA . 19045 1 707 . 1 1 64 64 ILE CB C 13 37.587 0.3 . 1 . . . A 81 ILE CB . 19045 1 708 . 1 1 64 64 ILE CG1 C 13 26.791 0.3 . 1 . . . A 81 ILE CG1 . 19045 1 709 . 1 1 64 64 ILE CG2 C 13 16.965 0.3 . 1 . . . A 81 ILE CG2 . 19045 1 710 . 1 1 64 64 ILE CD1 C 13 14.306 0.3 . 1 . . . A 81 ILE CD1 . 19045 1 711 . 1 1 65 65 GLY H H 1 7.765 0.020 . 1 . . . A 82 GLY H . 19045 1 712 . 1 1 65 65 GLY HA2 H 1 4.093 0.020 . 2 . . . A 82 GLY HA2 . 19045 1 713 . 1 1 65 65 GLY HA3 H 1 3.807 0.020 . 2 . . . A 82 GLY HA3 . 19045 1 714 . 1 1 65 65 GLY CA C 13 45.566 0.3 . 1 . . . A 82 GLY CA . 19045 1 715 . 1 1 66 66 ASP H H 1 7.400 0.020 . 1 . . . A 83 ASP H . 19045 1 716 . 1 1 66 66 ASP HA H 1 4.332 0.020 . 1 . . . A 83 ASP HA . 19045 1 717 . 1 1 66 66 ASP HB2 H 1 2.799 0.020 . 2 . . . A 83 ASP HB2 . 19045 1 718 . 1 1 66 66 ASP HB3 H 1 2.611 0.020 . 2 . . . A 83 ASP HB3 . 19045 1 719 . 1 1 66 66 ASP CA C 13 58.161 0.3 . 1 . . . A 83 ASP CA . 19045 1 720 . 1 1 66 66 ASP CB C 13 41.771 0.3 . 1 . . . A 83 ASP CB . 19045 1 721 . 1 1 66 66 ASP N N 15 119.914 0.3 . 1 . . . A 83 ASP N . 19045 1 722 . 1 1 67 67 ASP H H 1 8.523 0.020 . 1 . . . A 84 ASP H . 19045 1 723 . 1 1 67 67 ASP HA H 1 4.200 0.020 . 1 . . . A 84 ASP HA . 19045 1 724 . 1 1 67 67 ASP HB2 H 1 2.611 0.020 . 1 . . . A 84 ASP HB2 . 19045 1 725 . 1 1 67 67 ASP HB3 H 1 2.611 0.020 . 1 . . . A 84 ASP HB3 . 19045 1 726 . 1 1 67 67 ASP CA C 13 57.270 0.3 . 1 . . . A 84 ASP CA . 19045 1 727 . 1 1 67 67 ASP CB C 13 40.593 0.3 . 1 . . . A 84 ASP CB . 19045 1 728 . 1 1 67 67 ASP N N 15 116.566 0.3 . 1 . . . A 84 ASP N . 19045 1 729 . 1 1 68 68 ILE H H 1 7.707 0.020 . 1 . . . A 85 ILE H . 19045 1 730 . 1 1 68 68 ILE HA H 1 3.753 0.020 . 1 . . . A 85 ILE HA . 19045 1 731 . 1 1 68 68 ILE HB H 1 1.894 0.020 . 1 . . . A 85 ILE HB . 19045 1 732 . 1 1 68 68 ILE HG12 H 1 1.519 0.020 . 2 . . . A 85 ILE HG12 . 19045 1 733 . 1 1 68 68 ILE HG13 H 1 1.256 0.020 . 2 . . . A 85 ILE HG13 . 19045 1 734 . 1 1 68 68 ILE HG21 H 1 0.976 0.020 . 1 . . . A 85 ILE HG21 . 19045 1 735 . 1 1 68 68 ILE HG22 H 1 0.976 0.020 . 1 . . . A 85 ILE HG22 . 19045 1 736 . 1 1 68 68 ILE HG23 H 1 0.976 0.020 . 1 . . . A 85 ILE HG23 . 19045 1 737 . 1 1 68 68 ILE HD11 H 1 0.829 0.020 . 1 . . . A 85 ILE HD11 . 19045 1 738 . 1 1 68 68 ILE HD12 H 1 0.829 0.020 . 1 . . . A 85 ILE HD12 . 19045 1 739 . 1 1 68 68 ILE HD13 H 1 0.829 0.020 . 1 . . . A 85 ILE HD13 . 19045 1 740 . 1 1 68 68 ILE CA C 13 63.782 0.3 . 1 . . . A 85 ILE CA . 19045 1 741 . 1 1 68 68 ILE CB C 13 37.546 0.3 . 1 . . . A 85 ILE CB . 19045 1 742 . 1 1 68 68 ILE CG1 C 13 29.008 0.3 . 1 . . . A 85 ILE CG1 . 19045 1 743 . 1 1 68 68 ILE CG2 C 13 18.581 0.3 . 1 . . . A 85 ILE CG2 . 19045 1 744 . 1 1 68 68 ILE CD1 C 13 12.703 0.3 . 1 . . . A 85 ILE CD1 . 19045 1 745 . 1 1 68 68 ILE N N 15 120.454 0.3 . 1 . . . A 85 ILE N . 19045 1 746 . 1 1 69 69 ASN H H 1 8.440 0.020 . 1 . . . A 86 ASN H . 19045 1 747 . 1 1 69 69 ASN HA H 1 4.472 0.020 . 1 . . . A 86 ASN HA . 19045 1 748 . 1 1 69 69 ASN HB2 H 1 2.784 0.020 . 1 . . . A 86 ASN HB2 . 19045 1 749 . 1 1 69 69 ASN HB3 H 1 2.784 0.020 . 1 . . . A 86 ASN HB3 . 19045 1 750 . 1 1 69 69 ASN HD21 H 1 6.713 0.020 . 1 . . . A 86 ASN HD21 . 19045 1 751 . 1 1 69 69 ASN HD22 H 1 7.441 0.020 . 1 . . . A 86 ASN HD22 . 19045 1 752 . 1 1 69 69 ASN CA C 13 56.087 0.3 . 1 . . . A 86 ASN CA . 19045 1 753 . 1 1 69 69 ASN CB C 13 37.614 0.3 . 1 . . . A 86 ASN CB . 19045 1 754 . 1 1 69 69 ASN N N 15 118.583 0.3 . 1 . . . A 86 ASN N . 19045 1 755 . 1 1 69 69 ASN ND2 N 15 112.106 0.3 . 1 . . . A 86 ASN ND2 . 19045 1 756 . 1 1 70 70 ARG H H 1 8.214 0.020 . 1 . . . A 87 ARG H . 19045 1 757 . 1 1 70 70 ARG HA H 1 4.043 0.020 . 1 . . . A 87 ARG HA . 19045 1 758 . 1 1 70 70 ARG HB2 H 1 1.766 0.020 . 1 . . . A 87 ARG HB2 . 19045 1 759 . 1 1 70 70 ARG HB3 H 1 1.766 0.020 . 1 . . . A 87 ARG HB3 . 19045 1 760 . 1 1 70 70 ARG HG2 H 1 1.745 0.020 . 2 . . . A 87 ARG HG2 . 19045 1 761 . 1 1 70 70 ARG HG3 H 1 1.574 0.020 . 2 . . . A 87 ARG HG3 . 19045 1 762 . 1 1 70 70 ARG HD2 H 1 3.103 0.020 . 1 . . . A 87 ARG HD2 . 19045 1 763 . 1 1 70 70 ARG HD3 H 1 3.103 0.020 . 1 . . . A 87 ARG HD3 . 19045 1 764 . 1 1 70 70 ARG HE H 1 6.629 0.020 . 1 . . . A 87 ARG HE . 19045 1 765 . 1 1 70 70 ARG CA C 13 59.035 0.3 . 1 . . . A 87 ARG CA . 19045 1 766 . 1 1 70 70 ARG CB C 13 29.845 0.3 . 1 . . . A 87 ARG CB . 19045 1 767 . 1 1 70 70 ARG CG C 13 27.779 0.3 . 1 . . . A 87 ARG CG . 19045 1 768 . 1 1 70 70 ARG CD C 13 43.383 0.3 . 1 . . . A 87 ARG CD . 19045 1 769 . 1 1 70 70 ARG N N 15 117.819 0.3 . 1 . . . A 87 ARG N . 19045 1 770 . 1 1 71 71 ARG H H 1 7.438 0.020 . 1 . . . A 88 ARG H . 19045 1 771 . 1 1 71 71 ARG HA H 1 3.965 0.020 . 1 . . . A 88 ARG HA . 19045 1 772 . 1 1 71 71 ARG HB2 H 1 1.620 0.020 . 2 . . . A 88 ARG HB2 . 19045 1 773 . 1 1 71 71 ARG HB3 H 1 1.369 0.020 . 2 . . . A 88 ARG HB3 . 19045 1 774 . 1 1 71 71 ARG HG2 H 1 1.203 0.020 . 2 . . . A 88 ARG HG2 . 19045 1 775 . 1 1 71 71 ARG HG3 H 1 1.000 0.020 . 2 . . . A 88 ARG HG3 . 19045 1 776 . 1 1 71 71 ARG HD2 H 1 2.938 0.020 . 2 . . . A 88 ARG HD2 . 19045 1 777 . 1 1 71 71 ARG HD3 H 1 2.900 0.020 . 2 . . . A 88 ARG HD3 . 19045 1 778 . 1 1 71 71 ARG HE H 1 6.589 0.020 . 1 . . . A 88 ARG HE . 19045 1 779 . 1 1 71 71 ARG CA C 13 58.161 0.3 . 1 . . . A 88 ARG CA . 19045 1 780 . 1 1 71 71 ARG CB C 13 30.376 0.3 . 1 . . . A 88 ARG CB . 19045 1 781 . 1 1 71 71 ARG CG C 13 27.059 0.3 . 1 . . . A 88 ARG CG . 19045 1 782 . 1 1 71 71 ARG CD C 13 43.244 0.3 . 1 . . . A 88 ARG CD . 19045 1 783 . 1 1 71 71 ARG N N 15 117.971 0.3 . 1 . . . A 88 ARG N . 19045 1 784 . 1 1 72 72 TYR H H 1 7.635 0.020 . 1 . . . A 89 TYR H . 19045 1 785 . 1 1 72 72 TYR HA H 1 4.753 0.020 . 1 . . . A 89 TYR HA . 19045 1 786 . 1 1 72 72 TYR HB2 H 1 3.274 0.020 . 2 . . . A 89 TYR HB2 . 19045 1 787 . 1 1 72 72 TYR HB3 H 1 2.710 0.020 . 2 . . . A 89 TYR HB3 . 19045 1 788 . 1 1 72 72 TYR HD1 H 1 7.161 0.020 . 1 . . . A 89 TYR HD1 . 19045 1 789 . 1 1 72 72 TYR HD2 H 1 7.161 0.020 . 1 . . . A 89 TYR HD2 . 19045 1 790 . 1 1 72 72 TYR HE1 H 1 6.557 0.020 . 1 . . . A 89 TYR HE1 . 19045 1 791 . 1 1 72 72 TYR HE2 H 1 6.557 0.020 . 1 . . . A 89 TYR HE2 . 19045 1 792 . 1 1 72 72 TYR CA C 13 59.481 0.3 . 1 . . . A 89 TYR CA . 19045 1 793 . 1 1 72 72 TYR CB C 13 39.610 0.3 . 1 . . . A 89 TYR CB . 19045 1 794 . 1 1 72 72 TYR CD2 C 13 133.533 0.3 . 1 . . . A 89 TYR CD2 . 19045 1 795 . 1 1 72 72 TYR CE2 C 13 118.185 0.3 . 1 . . . A 89 TYR CE2 . 19045 1 796 . 1 1 72 72 TYR N N 15 114.591 0.3 . 1 . . . A 89 TYR N . 19045 1 797 . 1 1 73 73 ASP H H 1 8.282 0.020 . 1 . . . A 90 ASP H . 19045 1 798 . 1 1 73 73 ASP HA H 1 4.820 0.020 . 1 . . . A 90 ASP HA . 19045 1 799 . 1 1 73 73 ASP HB2 H 1 2.999 0.020 . 2 . . . A 90 ASP HB2 . 19045 1 800 . 1 1 73 73 ASP HB3 H 1 2.571 0.020 . 2 . . . A 90 ASP HB3 . 19045 1 801 . 1 1 73 73 ASP CA C 13 58.200 0.3 . 1 . . . A 90 ASP CA . 19045 1 802 . 1 1 73 73 ASP CB C 13 41.407 0.3 . 1 . . . A 90 ASP CB . 19045 1 803 . 1 1 74 74 SER H H 1 8.717 0.020 . 1 . . . A 91 SER H . 19045 1 804 . 1 1 74 74 SER HA H 1 4.170 0.020 . 1 . . . A 91 SER HA . 19045 1 805 . 1 1 74 74 SER HB2 H 1 3.883 0.020 . 1 . . . A 91 SER HB2 . 19045 1 806 . 1 1 74 74 SER HB3 H 1 3.883 0.020 . 1 . . . A 91 SER HB3 . 19045 1 807 . 1 1 74 74 SER CA C 13 61.780 0.3 . 1 . . . A 91 SER CA . 19045 1 808 . 1 1 74 74 SER CB C 13 61.891 0.3 . 1 . . . A 91 SER CB . 19045 1 809 . 1 1 74 74 SER N N 15 115.266 0.3 . 1 . . . A 91 SER N . 19045 1 810 . 1 1 75 75 GLU H H 1 8.025 0.020 . 1 . . . A 92 GLU H . 19045 1 811 . 1 1 75 75 GLU HA H 1 4.056 0.020 . 1 . . . A 92 GLU HA . 19045 1 812 . 1 1 75 75 GLU HB2 H 1 1.835 0.020 . 1 . . . A 92 GLU HB2 . 19045 1 813 . 1 1 75 75 GLU HB3 H 1 1.835 0.020 . 1 . . . A 92 GLU HB3 . 19045 1 814 . 1 1 75 75 GLU HG2 H 1 2.183 0.020 . 1 . . . A 92 GLU HG2 . 19045 1 815 . 1 1 75 75 GLU HG3 H 1 2.183 0.020 . 1 . . . A 92 GLU HG3 . 19045 1 816 . 1 1 75 75 GLU CA C 13 58.928 0.3 . 1 . . . A 92 GLU CA . 19045 1 817 . 1 1 75 75 GLU CB C 13 29.796 0.3 . 1 . . . A 92 GLU CB . 19045 1 818 . 1 1 75 75 GLU CG C 13 35.470 0.3 . 1 . . . A 92 GLU CG . 19045 1 819 . 1 1 75 75 GLU N N 15 122.093 0.3 . 1 . . . A 92 GLU N . 19045 1 820 . 1 1 76 76 PHE H H 1 7.801 0.020 . 1 . . . A 93 PHE H . 19045 1 821 . 1 1 76 76 PHE HA H 1 4.171 0.020 . 1 . . . A 93 PHE HA . 19045 1 822 . 1 1 76 76 PHE HB2 H 1 3.226 0.020 . 2 . . . A 93 PHE HB2 . 19045 1 823 . 1 1 76 76 PHE HB3 H 1 3.013 0.020 . 2 . . . A 93 PHE HB3 . 19045 1 824 . 1 1 76 76 PHE HD1 H 1 6.839 0.020 . 1 . . . A 93 PHE HD1 . 19045 1 825 . 1 1 76 76 PHE HD2 H 1 6.839 0.020 . 1 . . . A 93 PHE HD2 . 19045 1 826 . 1 1 76 76 PHE HE1 H 1 7.221 0.020 . 1 . . . A 93 PHE HE1 . 19045 1 827 . 1 1 76 76 PHE HE2 H 1 7.221 0.020 . 1 . . . A 93 PHE HE2 . 19045 1 828 . 1 1 76 76 PHE HZ H 1 7.038 0.020 . 1 . . . A 93 PHE HZ . 19045 1 829 . 1 1 76 76 PHE CA C 13 60.704 0.3 . 1 . . . A 93 PHE CA . 19045 1 830 . 1 1 76 76 PHE CB C 13 38.780 0.3 . 1 . . . A 93 PHE CB . 19045 1 831 . 1 1 76 76 PHE CD1 C 13 133.289 0.3 . 1 . . . A 93 PHE CD1 . 19045 1 832 . 1 1 76 76 PHE CE1 C 13 130.952 0.3 . 1 . . . A 93 PHE CE1 . 19045 1 833 . 1 1 76 76 PHE CZ C 13 129.256 0.3 . 1 . . . A 93 PHE CZ . 19045 1 834 . 1 1 77 77 GLN H H 1 8.609 0.020 . 1 . . . A 94 GLN H . 19045 1 835 . 1 1 77 77 GLN HA H 1 3.847 0.020 . 1 . . . A 94 GLN HA . 19045 1 836 . 1 1 77 77 GLN HB2 H 1 2.188 0.020 . 1 . . . A 94 GLN HB2 . 19045 1 837 . 1 1 77 77 GLN HB3 H 1 2.188 0.020 . 1 . . . A 94 GLN HB3 . 19045 1 838 . 1 1 77 77 GLN HG2 H 1 2.463 0.020 . 2 . . . A 94 GLN HG2 . 19045 1 839 . 1 1 77 77 GLN HG3 H 1 2.274 0.020 . 2 . . . A 94 GLN HG3 . 19045 1 840 . 1 1 77 77 GLN HE21 H 1 6.780 0.020 . 1 . . . A 94 GLN HE21 . 19045 1 841 . 1 1 77 77 GLN HE22 H 1 7.895 0.020 . 1 . . . A 94 GLN HE22 . 19045 1 842 . 1 1 77 77 GLN CA C 13 59.981 0.3 . 1 . . . A 94 GLN CA . 19045 1 843 . 1 1 77 77 GLN CB C 13 28.415 0.3 . 1 . . . A 94 GLN CB . 19045 1 844 . 1 1 77 77 GLN CG C 13 34.320 0.3 . 1 . . . A 94 GLN CG . 19045 1 845 . 1 1 77 77 GLN N N 15 118.578 0.3 . 1 . . . A 94 GLN N . 19045 1 846 . 1 1 77 77 GLN NE2 N 15 115.521 0.3 . 1 . . . A 94 GLN NE2 . 19045 1 847 . 1 1 78 78 THR H H 1 7.826 0.020 . 1 . . . A 95 THR H . 19045 1 848 . 1 1 78 78 THR HA H 1 3.811 0.020 . 1 . . . A 95 THR HA . 19045 1 849 . 1 1 78 78 THR HB H 1 4.140 0.020 . 1 . . . A 95 THR HB . 19045 1 850 . 1 1 78 78 THR HG21 H 1 1.073 0.020 . 1 . . . A 95 THR HG21 . 19045 1 851 . 1 1 78 78 THR HG22 H 1 1.073 0.020 . 1 . . . A 95 THR HG22 . 19045 1 852 . 1 1 78 78 THR HG23 H 1 1.073 0.020 . 1 . . . A 95 THR HG23 . 19045 1 853 . 1 1 78 78 THR CA C 13 66.391 0.3 . 1 . . . A 95 THR CA . 19045 1 854 . 1 1 78 78 THR CB C 13 68.361 0.3 . 1 . . . A 95 THR CB . 19045 1 855 . 1 1 78 78 THR CG2 C 13 21.934 0.3 . 1 . . . A 95 THR CG2 . 19045 1 856 . 1 1 78 78 THR N N 15 116.128 0.3 . 1 . . . A 95 THR N . 19045 1 857 . 1 1 79 79 MET H H 1 7.728 0.020 . 1 . . . A 96 MET H . 19045 1 858 . 1 1 79 79 MET HA H 1 3.933 0.020 . 1 . . . A 96 MET HA . 19045 1 859 . 1 1 79 79 MET HB2 H 1 1.676 0.020 . 1 . . . A 96 MET HB2 . 19045 1 860 . 1 1 79 79 MET HB3 H 1 1.676 0.020 . 1 . . . A 96 MET HB3 . 19045 1 861 . 1 1 79 79 MET HG2 H 1 2.679 0.020 . 2 . . . A 96 MET HG2 . 19045 1 862 . 1 1 79 79 MET HG3 H 1 2.366 0.020 . 2 . . . A 96 MET HG3 . 19045 1 863 . 1 1 79 79 MET HE1 H 1 1.504 0.020 . 1 . . . A 96 MET HE1 . 19045 1 864 . 1 1 79 79 MET HE2 H 1 1.504 0.020 . 1 . . . A 96 MET HE2 . 19045 1 865 . 1 1 79 79 MET HE3 H 1 1.504 0.020 . 1 . . . A 96 MET HE3 . 19045 1 866 . 1 1 79 79 MET CA C 13 59.949 0.3 . 1 . . . A 96 MET CA . 19045 1 867 . 1 1 79 79 MET CB C 13 33.087 0.3 . 1 . . . A 96 MET CB . 19045 1 868 . 1 1 79 79 MET CG C 13 33.221 0.3 . 1 . . . A 96 MET CG . 19045 1 869 . 1 1 79 79 MET CE C 13 17.480 0.3 . 1 . . . A 96 MET CE . 19045 1 870 . 1 1 79 79 MET N N 15 120.474 0.3 . 1 . . . A 96 MET N . 19045 1 871 . 1 1 80 80 LEU H H 1 8.112 0.020 . 1 . . . A 97 LEU H . 19045 1 872 . 1 1 80 80 LEU HA H 1 3.604 0.020 . 1 . . . A 97 LEU HA . 19045 1 873 . 1 1 80 80 LEU HB2 H 1 1.550 0.020 . 2 . . . A 97 LEU HB2 . 19045 1 874 . 1 1 80 80 LEU HB3 H 1 0.549 0.020 . 2 . . . A 97 LEU HB3 . 19045 1 875 . 1 1 80 80 LEU HG H 1 1.371 0.020 . 1 . . . A 97 LEU HG . 19045 1 876 . 1 1 80 80 LEU HD11 H 1 0.602 0.020 . 1 . . . A 97 LEU HD11 . 19045 1 877 . 1 1 80 80 LEU HD12 H 1 0.602 0.020 . 1 . . . A 97 LEU HD12 . 19045 1 878 . 1 1 80 80 LEU HD13 H 1 0.602 0.020 . 1 . . . A 97 LEU HD13 . 19045 1 879 . 1 1 80 80 LEU HD21 H 1 0.557 0.020 . 1 . . . A 97 LEU HD21 . 19045 1 880 . 1 1 80 80 LEU HD22 H 1 0.557 0.020 . 1 . . . A 97 LEU HD22 . 19045 1 881 . 1 1 80 80 LEU HD23 H 1 0.557 0.020 . 1 . . . A 97 LEU HD23 . 19045 1 882 . 1 1 80 80 LEU CA C 13 57.771 0.3 . 1 . . . A 97 LEU CA . 19045 1 883 . 1 1 80 80 LEU CB C 13 40.836 0.3 . 1 . . . A 97 LEU CB . 19045 1 884 . 1 1 80 80 LEU CG C 13 26.938 0.3 . 1 . . . A 97 LEU CG . 19045 1 885 . 1 1 80 80 LEU CD1 C 13 23.605 0.3 . 1 . . . A 97 LEU CD1 . 19045 1 886 . 1 1 80 80 LEU CD2 C 13 25.481 0.3 . 1 . . . A 97 LEU CD2 . 19045 1 887 . 1 1 80 80 LEU N N 15 118.904 0.3 . 1 . . . A 97 LEU N . 19045 1 888 . 1 1 81 81 GLN H H 1 7.754 0.020 . 1 . . . A 98 GLN H . 19045 1 889 . 1 1 81 81 GLN HA H 1 4.003 0.020 . 1 . . . A 98 GLN HA . 19045 1 890 . 1 1 81 81 GLN HB2 H 1 2.229 0.020 . 2 . . . A 98 GLN HB2 . 19045 1 891 . 1 1 81 81 GLN HB3 H 1 2.070 0.020 . 2 . . . A 98 GLN HB3 . 19045 1 892 . 1 1 81 81 GLN HG2 H 1 2.467 0.020 . 1 . . . A 98 GLN HG2 . 19045 1 893 . 1 1 81 81 GLN HG3 H 1 2.467 0.020 . 1 . . . A 98 GLN HG3 . 19045 1 894 . 1 1 81 81 GLN HE21 H 1 6.634 0.020 . 1 . . . A 98 GLN HE21 . 19045 1 895 . 1 1 81 81 GLN HE22 H 1 7.065 0.020 . 1 . . . A 98 GLN HE22 . 19045 1 896 . 1 1 81 81 GLN CA C 13 58.337 0.3 . 1 . . . A 98 GLN CA . 19045 1 897 . 1 1 81 81 GLN CB C 13 27.659 0.3 . 1 . . . A 98 GLN CB . 19045 1 898 . 1 1 81 81 GLN CG C 13 33.542 0.3 . 1 . . . A 98 GLN CG . 19045 1 899 . 1 1 81 81 GLN N N 15 116.798 0.3 . 1 . . . A 98 GLN N . 19045 1 900 . 1 1 81 81 GLN NE2 N 15 111.008 0.3 . 1 . . . A 98 GLN NE2 . 19045 1 901 . 1 1 82 82 HIS H H 1 7.504 0.020 . 1 . . . A 99 HIS H . 19045 1 902 . 1 1 82 82 HIS HA H 1 4.442 0.020 . 1 . . . A 99 HIS HA . 19045 1 903 . 1 1 82 82 HIS HB2 H 1 3.160 0.020 . 1 . . . A 99 HIS HB2 . 19045 1 904 . 1 1 82 82 HIS HB3 H 1 3.160 0.020 . 1 . . . A 99 HIS HB3 . 19045 1 905 . 1 1 82 82 HIS HD2 H 1 7.129 0.020 . 1 . . . A 99 HIS HD2 . 19045 1 906 . 1 1 82 82 HIS HE1 H 1 8.283 0.020 . 1 . . . A 99 HIS HE1 . 19045 1 907 . 1 1 82 82 HIS CA C 13 57.025 0.3 . 1 . . . A 99 HIS CA . 19045 1 908 . 1 1 82 82 HIS CB C 13 28.848 0.3 . 1 . . . A 99 HIS CB . 19045 1 909 . 1 1 82 82 HIS CD2 C 13 119.922 0.3 . 1 . . . A 99 HIS CD2 . 19045 1 910 . 1 1 82 82 HIS CE1 C 13 137.317 0.3 . 1 . . . A 99 HIS CE1 . 19045 1 911 . 1 1 82 82 HIS N N 15 115.943 0.3 . 1 . . . A 99 HIS N . 19045 1 912 . 1 1 83 83 LEU H H 1 8.013 0.020 . 1 . . . A 100 LEU H . 19045 1 913 . 1 1 83 83 LEU HA H 1 3.803 0.020 . 1 . . . A 100 LEU HA . 19045 1 914 . 1 1 83 83 LEU HB2 H 1 1.671 0.020 . 2 . . . A 100 LEU HB2 . 19045 1 915 . 1 1 83 83 LEU HB3 H 1 1.219 0.020 . 2 . . . A 100 LEU HB3 . 19045 1 916 . 1 1 83 83 LEU HG H 1 1.175 0.020 . 1 . . . A 100 LEU HG . 19045 1 917 . 1 1 83 83 LEU HD11 H 1 0.425 0.020 . 1 . . . A 100 LEU HD11 . 19045 1 918 . 1 1 83 83 LEU HD12 H 1 0.425 0.020 . 1 . . . A 100 LEU HD12 . 19045 1 919 . 1 1 83 83 LEU HD13 H 1 0.425 0.020 . 1 . . . A 100 LEU HD13 . 19045 1 920 . 1 1 83 83 LEU HD21 H 1 0.113 0.020 . 1 . . . A 100 LEU HD21 . 19045 1 921 . 1 1 83 83 LEU HD22 H 1 0.113 0.020 . 1 . . . A 100 LEU HD22 . 19045 1 922 . 1 1 83 83 LEU HD23 H 1 0.113 0.020 . 1 . . . A 100 LEU HD23 . 19045 1 923 . 1 1 83 83 LEU CA C 13 56.801 0.3 . 1 . . . A 100 LEU CA . 19045 1 924 . 1 1 83 83 LEU CB C 13 42.563 0.3 . 1 . . . A 100 LEU CB . 19045 1 925 . 1 1 83 83 LEU CG C 13 26.359 0.3 . 1 . . . A 100 LEU CG . 19045 1 926 . 1 1 83 83 LEU CD1 C 13 24.924 0.3 . 1 . . . A 100 LEU CD1 . 19045 1 927 . 1 1 83 83 LEU CD2 C 13 22.794 0.3 . 1 . . . A 100 LEU CD2 . 19045 1 928 . 1 1 83 83 LEU N N 15 121.347 0.3 . 1 . . . A 100 LEU N . 19045 1 929 . 1 1 84 84 GLN H H 1 7.763 0.020 . 1 . . . A 101 GLN H . 19045 1 930 . 1 1 84 84 GLN HA H 1 4.003 0.020 . 1 . . . A 101 GLN HA . 19045 1 931 . 1 1 84 84 GLN HB2 H 1 2.053 0.020 . 1 . . . A 101 GLN HB2 . 19045 1 932 . 1 1 84 84 GLN HB3 H 1 2.053 0.020 . 1 . . . A 101 GLN HB3 . 19045 1 933 . 1 1 84 84 GLN HG2 H 1 2.243 0.020 . 1 . . . A 101 GLN HG2 . 19045 1 934 . 1 1 84 84 GLN HG3 H 1 2.243 0.020 . 1 . . . A 101 GLN HG3 . 19045 1 935 . 1 1 84 84 GLN HE21 H 1 6.692 0.020 . 1 . . . A 101 GLN HE21 . 19045 1 936 . 1 1 84 84 GLN HE22 H 1 7.308 0.020 . 1 . . . A 101 GLN HE22 . 19045 1 937 . 1 1 84 84 GLN CA C 13 55.685 0.3 . 1 . . . A 101 GLN CA . 19045 1 938 . 1 1 84 84 GLN CB C 13 27.301 0.3 . 1 . . . A 101 GLN CB . 19045 1 939 . 1 1 84 84 GLN CG C 13 34.221 0.3 . 1 . . . A 101 GLN CG . 19045 1 940 . 1 1 84 84 GLN N N 15 110.029 0.3 . 1 . . . A 101 GLN N . 19045 1 941 . 1 1 84 84 GLN NE2 N 15 110.897 0.3 . 1 . . . A 101 GLN NE2 . 19045 1 942 . 1 1 85 85 PRO HA H 1 4.926 0.020 . 1 . . . A 102 PRO HA . 19045 1 943 . 1 1 85 85 PRO HB2 H 1 1.834 0.020 . 2 . . . A 102 PRO HB2 . 19045 1 944 . 1 1 85 85 PRO HB3 H 1 1.696 0.020 . 2 . . . A 102 PRO HB3 . 19045 1 945 . 1 1 85 85 PRO HG2 H 1 1.456 0.020 . 1 . . . A 102 PRO HG2 . 19045 1 946 . 1 1 85 85 PRO HG3 H 1 1.456 0.020 . 1 . . . A 102 PRO HG3 . 19045 1 947 . 1 1 85 85 PRO HD2 H 1 3.337 0.020 . 1 . . . A 102 PRO HD2 . 19045 1 948 . 1 1 85 85 PRO HD3 H 1 3.337 0.020 . 1 . . . A 102 PRO HD3 . 19045 1 949 . 1 1 85 85 PRO CA C 13 62.372 0.3 . 1 . . . A 102 PRO CA . 19045 1 950 . 1 1 85 85 PRO CB C 13 31.963 0.3 . 1 . . . A 102 PRO CB . 19045 1 951 . 1 1 85 85 PRO CG C 13 27.456 0.3 . 1 . . . A 102 PRO CG . 19045 1 952 . 1 1 85 85 PRO CD C 13 49.686 0.3 . 1 . . . A 102 PRO CD . 19045 1 953 . 1 1 86 86 THR H H 1 9.386 0.020 . 1 . . . A 103 THR H . 19045 1 954 . 1 1 86 86 THR HA H 1 4.420 0.020 . 1 . . . A 103 THR HA . 19045 1 955 . 1 1 86 86 THR HB H 1 4.547 0.020 . 1 . . . A 103 THR HB . 19045 1 956 . 1 1 86 86 THR HG21 H 1 1.148 0.020 . 1 . . . A 103 THR HG21 . 19045 1 957 . 1 1 86 86 THR HG22 H 1 1.148 0.020 . 1 . . . A 103 THR HG22 . 19045 1 958 . 1 1 86 86 THR HG23 H 1 1.148 0.020 . 1 . . . A 103 THR HG23 . 19045 1 959 . 1 1 86 86 THR CA C 13 58.716 0.3 . 1 . . . A 103 THR CA . 19045 1 960 . 1 1 86 86 THR CB C 13 72.929 0.3 . 1 . . . A 103 THR CB . 19045 1 961 . 1 1 86 86 THR CG2 C 13 21.383 0.3 . 1 . . . A 103 THR CG2 . 19045 1 962 . 1 1 86 86 THR N N 15 114.119 0.3 . 1 . . . A 103 THR N . 19045 1 963 . 1 1 87 87 ALA H H 1 8.723 0.020 . 1 . . . A 104 ALA H . 19045 1 964 . 1 1 87 87 ALA HA H 1 3.737 0.020 . 1 . . . A 104 ALA HA . 19045 1 965 . 1 1 87 87 ALA HB1 H 1 1.279 0.020 . 1 . . . A 104 ALA HB1 . 19045 1 966 . 1 1 87 87 ALA HB2 H 1 1.279 0.020 . 1 . . . A 104 ALA HB2 . 19045 1 967 . 1 1 87 87 ALA HB3 H 1 1.279 0.020 . 1 . . . A 104 ALA HB3 . 19045 1 968 . 1 1 87 87 ALA CA C 13 54.782 0.3 . 1 . . . A 104 ALA CA . 19045 1 969 . 1 1 87 87 ALA CB C 13 18.050 0.3 . 1 . . . A 104 ALA CB . 19045 1 970 . 1 1 87 87 ALA N N 15 120.374 0.3 . 1 . . . A 104 ALA N . 19045 1 971 . 1 1 88 88 GLU H H 1 7.969 0.020 . 1 . . . A 105 GLU H . 19045 1 972 . 1 1 88 88 GLU HA H 1 4.122 0.020 . 1 . . . A 105 GLU HA . 19045 1 973 . 1 1 88 88 GLU HB2 H 1 1.881 0.020 . 1 . . . A 105 GLU HB2 . 19045 1 974 . 1 1 88 88 GLU HB3 H 1 1.881 0.020 . 1 . . . A 105 GLU HB3 . 19045 1 975 . 1 1 88 88 GLU HG2 H 1 2.263 0.020 . 2 . . . A 105 GLU HG2 . 19045 1 976 . 1 1 88 88 GLU HG3 H 1 2.192 0.020 . 2 . . . A 105 GLU HG3 . 19045 1 977 . 1 1 88 88 GLU CA C 13 58.707 0.3 . 1 . . . A 105 GLU CA . 19045 1 978 . 1 1 88 88 GLU CB C 13 29.445 0.3 . 1 . . . A 105 GLU CB . 19045 1 979 . 1 1 88 88 GLU CG C 13 36.480 0.3 . 1 . . . A 105 GLU CG . 19045 1 980 . 1 1 88 88 GLU N N 15 113.834 0.3 . 1 . . . A 105 GLU N . 19045 1 981 . 1 1 89 89 ASN H H 1 7.151 0.020 . 1 . . . A 106 ASN H . 19045 1 982 . 1 1 89 89 ASN HA H 1 4.781 0.020 . 1 . . . A 106 ASN HA . 19045 1 983 . 1 1 89 89 ASN HB2 H 1 2.255 0.020 . 1 . . . A 106 ASN HB2 . 19045 1 984 . 1 1 89 89 ASN HB3 H 1 2.255 0.020 . 1 . . . A 106 ASN HB3 . 19045 1 985 . 1 1 89 89 ASN HD21 H 1 6.599 0.020 . 1 . . . A 106 ASN HD21 . 19045 1 986 . 1 1 89 89 ASN HD22 H 1 7.262 0.020 . 1 . . . A 106 ASN HD22 . 19045 1 987 . 1 1 89 89 ASN CA C 13 52.222 0.3 . 1 . . . A 106 ASN CA . 19045 1 988 . 1 1 89 89 ASN CB C 13 38.983 0.3 . 1 . . . A 106 ASN CB . 19045 1 989 . 1 1 89 89 ASN N N 15 114.135 0.3 . 1 . . . A 106 ASN N . 19045 1 990 . 1 1 89 89 ASN ND2 N 15 110.685 0.3 . 1 . . . A 106 ASN ND2 . 19045 1 991 . 1 1 90 90 ALA H H 1 7.940 0.020 . 1 . . . A 107 ALA H . 19045 1 992 . 1 1 90 90 ALA HA H 1 3.858 0.020 . 1 . . . A 107 ALA HA . 19045 1 993 . 1 1 90 90 ALA HB1 H 1 1.716 0.020 . 1 . . . A 107 ALA HB1 . 19045 1 994 . 1 1 90 90 ALA HB2 H 1 1.716 0.020 . 1 . . . A 107 ALA HB2 . 19045 1 995 . 1 1 90 90 ALA HB3 H 1 1.716 0.020 . 1 . . . A 107 ALA HB3 . 19045 1 996 . 1 1 90 90 ALA CA C 13 56.988 0.3 . 1 . . . A 107 ALA CA . 19045 1 997 . 1 1 90 90 ALA CB C 13 18.278 0.3 . 1 . . . A 107 ALA CB . 19045 1 998 . 1 1 90 90 ALA N N 15 121.280 0.3 . 1 . . . A 107 ALA N . 19045 1 999 . 1 1 91 91 TYR H H 1 8.783 0.020 . 1 . . . A 108 TYR H . 19045 1 1000 . 1 1 91 91 TYR HA H 1 3.048 0.020 . 1 . . . A 108 TYR HA . 19045 1 1001 . 1 1 91 91 TYR HB2 H 1 2.670 0.020 . 2 . . . A 108 TYR HB2 . 19045 1 1002 . 1 1 91 91 TYR HB3 H 1 2.594 0.020 . 2 . . . A 108 TYR HB3 . 19045 1 1003 . 1 1 91 91 TYR HD1 H 1 6.509 0.020 . 1 . . . A 108 TYR HD1 . 19045 1 1004 . 1 1 91 91 TYR HD2 H 1 6.509 0.020 . 1 . . . A 108 TYR HD2 . 19045 1 1005 . 1 1 91 91 TYR HE1 H 1 6.729 0.020 . 1 . . . A 108 TYR HE1 . 19045 1 1006 . 1 1 91 91 TYR HE2 H 1 6.729 0.020 . 1 . . . A 108 TYR HE2 . 19045 1 1007 . 1 1 91 91 TYR CA C 13 60.578 0.3 . 1 . . . A 108 TYR CA . 19045 1 1008 . 1 1 91 91 TYR CB C 13 36.804 0.3 . 1 . . . A 108 TYR CB . 19045 1 1009 . 1 1 91 91 TYR CD2 C 13 132.909 0.3 . 1 . . . A 108 TYR CD2 . 19045 1 1010 . 1 1 91 91 TYR CE2 C 13 118.443 0.3 . 1 . . . A 108 TYR CE2 . 19045 1 1011 . 1 1 91 91 TYR N N 15 117.339 0.3 . 1 . . . A 108 TYR N . 19045 1 1012 . 1 1 92 92 GLU H H 1 8.084 0.020 . 1 . . . A 109 GLU H . 19045 1 1013 . 1 1 92 92 GLU HA H 1 3.681 0.020 . 1 . . . A 109 GLU HA . 19045 1 1014 . 1 1 92 92 GLU HB2 H 1 1.981 0.020 . 2 . . . A 109 GLU HB2 . 19045 1 1015 . 1 1 92 92 GLU HB3 H 1 1.837 0.020 . 2 . . . A 109 GLU HB3 . 19045 1 1016 . 1 1 92 92 GLU HG2 H 1 2.212 0.020 . 1 . . . A 109 GLU HG2 . 19045 1 1017 . 1 1 92 92 GLU HG3 H 1 2.212 0.020 . 1 . . . A 109 GLU HG3 . 19045 1 1018 . 1 1 92 92 GLU CA C 13 59.152 0.3 . 1 . . . A 109 GLU CA . 19045 1 1019 . 1 1 92 92 GLU CB C 13 28.782 0.3 . 1 . . . A 109 GLU CB . 19045 1 1020 . 1 1 92 92 GLU CG C 13 35.515 0.3 . 1 . . . A 109 GLU CG . 19045 1 1021 . 1 1 92 92 GLU N N 15 123.316 0.3 . 1 . . . A 109 GLU N . 19045 1 1022 . 1 1 93 93 TYR H H 1 8.282 0.020 . 1 . . . A 110 TYR H . 19045 1 1023 . 1 1 93 93 TYR HA H 1 4.339 0.020 . 1 . . . A 110 TYR HA . 19045 1 1024 . 1 1 93 93 TYR HB2 H 1 3.022 0.020 . 2 . . . A 110 TYR HB2 . 19045 1 1025 . 1 1 93 93 TYR HB3 H 1 2.829 0.020 . 2 . . . A 110 TYR HB3 . 19045 1 1026 . 1 1 93 93 TYR HD1 H 1 6.586 0.020 . 1 . . . A 110 TYR HD1 . 19045 1 1027 . 1 1 93 93 TYR HD2 H 1 6.586 0.020 . 1 . . . A 110 TYR HD2 . 19045 1 1028 . 1 1 93 93 TYR HE1 H 1 6.876 0.020 . 1 . . . A 110 TYR HE1 . 19045 1 1029 . 1 1 93 93 TYR HE2 H 1 6.876 0.020 . 1 . . . A 110 TYR HE2 . 19045 1 1030 . 1 1 93 93 TYR CA C 13 58.527 0.3 . 1 . . . A 110 TYR CA . 19045 1 1031 . 1 1 93 93 TYR CB C 13 36.323 0.3 . 1 . . . A 110 TYR CB . 19045 1 1032 . 1 1 93 93 TYR CD2 C 13 130.561 0.3 . 1 . . . A 110 TYR CD2 . 19045 1 1033 . 1 1 93 93 TYR CE2 C 13 118.978 0.3 . 1 . . . A 110 TYR CE2 . 19045 1 1034 . 1 1 93 93 TYR N N 15 117.254 0.3 . 1 . . . A 110 TYR N . 19045 1 1035 . 1 1 94 94 PHE H H 1 9.197 0.020 . 1 . . . A 111 PHE H . 19045 1 1036 . 1 1 94 94 PHE HA H 1 3.889 0.020 . 1 . . . A 111 PHE HA . 19045 1 1037 . 1 1 94 94 PHE HB2 H 1 2.951 0.020 . 1 . . . A 111 PHE HB2 . 19045 1 1038 . 1 1 94 94 PHE HB3 H 1 2.951 0.020 . 1 . . . A 111 PHE HB3 . 19045 1 1039 . 1 1 94 94 PHE HD1 H 1 6.738 0.020 . 1 . . . A 111 PHE HD1 . 19045 1 1040 . 1 1 94 94 PHE HD2 H 1 6.738 0.020 . 1 . . . A 111 PHE HD2 . 19045 1 1041 . 1 1 94 94 PHE HE1 H 1 6.827 0.020 . 1 . . . A 111 PHE HE1 . 19045 1 1042 . 1 1 94 94 PHE HE2 H 1 6.827 0.020 . 1 . . . A 111 PHE HE2 . 19045 1 1043 . 1 1 94 94 PHE HZ H 1 6.775 0.020 . 1 . . . A 111 PHE HZ . 19045 1 1044 . 1 1 94 94 PHE CA C 13 62.350 0.3 . 1 . . . A 111 PHE CA . 19045 1 1045 . 1 1 94 94 PHE CB C 13 39.369 0.3 . 1 . . . A 111 PHE CB . 19045 1 1046 . 1 1 94 94 PHE CD2 C 13 132.324 0.3 . 1 . . . A 111 PHE CD2 . 19045 1 1047 . 1 1 94 94 PHE CE2 C 13 130.552 0.3 . 1 . . . A 111 PHE CE2 . 19045 1 1048 . 1 1 94 94 PHE CZ C 13 129.479 0.3 . 1 . . . A 111 PHE CZ . 19045 1 1049 . 1 1 94 94 PHE N N 15 119.028 0.3 . 1 . . . A 111 PHE N . 19045 1 1050 . 1 1 95 95 THR H H 1 8.315 0.020 . 1 . . . A 112 THR H . 19045 1 1051 . 1 1 95 95 THR HA H 1 3.411 0.020 . 1 . . . A 112 THR HA . 19045 1 1052 . 1 1 95 95 THR HB H 1 3.932 0.020 . 1 . . . A 112 THR HB . 19045 1 1053 . 1 1 95 95 THR HG21 H 1 1.065 0.020 . 1 . . . A 112 THR HG21 . 19045 1 1054 . 1 1 95 95 THR HG22 H 1 1.065 0.020 . 1 . . . A 112 THR HG22 . 19045 1 1055 . 1 1 95 95 THR HG23 H 1 1.065 0.020 . 1 . . . A 112 THR HG23 . 19045 1 1056 . 1 1 95 95 THR CA C 13 67.185 0.3 . 1 . . . A 112 THR CA . 19045 1 1057 . 1 1 95 95 THR CB C 13 68.294 0.3 . 1 . . . A 112 THR CB . 19045 1 1058 . 1 1 95 95 THR CG2 C 13 21.198 0.3 . 1 . . . A 112 THR CG2 . 19045 1 1059 . 1 1 95 95 THR N N 15 113.669 0.3 . 1 . . . A 112 THR N . 19045 1 1060 . 1 1 96 96 LYS H H 1 8.335 0.020 . 1 . . . A 113 LYS H . 19045 1 1061 . 1 1 96 96 LYS HA H 1 3.854 0.020 . 1 . . . A 113 LYS HA . 19045 1 1062 . 1 1 96 96 LYS HB2 H 1 1.771 0.020 . 1 . . . A 113 LYS HB2 . 19045 1 1063 . 1 1 96 96 LYS HB3 H 1 1.771 0.020 . 1 . . . A 113 LYS HB3 . 19045 1 1064 . 1 1 96 96 LYS HG2 H 1 1.333 0.020 . 1 . . . A 113 LYS HG2 . 19045 1 1065 . 1 1 96 96 LYS HG3 H 1 1.333 0.020 . 1 . . . A 113 LYS HG3 . 19045 1 1066 . 1 1 96 96 LYS HD2 H 1 1.624 0.020 . 2 . . . A 113 LYS HD2 . 19045 1 1067 . 1 1 96 96 LYS HD3 H 1 1.515 0.020 . 2 . . . A 113 LYS HD3 . 19045 1 1068 . 1 1 96 96 LYS HE2 H 1 2.874 0.020 . 1 . . . A 113 LYS HE2 . 19045 1 1069 . 1 1 96 96 LYS HE3 H 1 2.874 0.020 . 1 . . . A 113 LYS HE3 . 19045 1 1070 . 1 1 96 96 LYS CA C 13 60.416 0.3 . 1 . . . A 113 LYS CA . 19045 1 1071 . 1 1 96 96 LYS CB C 13 33.219 0.3 . 1 . . . A 113 LYS CB . 19045 1 1072 . 1 1 96 96 LYS CG C 13 26.552 0.3 . 1 . . . A 113 LYS CG . 19045 1 1073 . 1 1 96 96 LYS CD C 13 29.714 0.3 . 1 . . . A 113 LYS CD . 19045 1 1074 . 1 1 96 96 LYS CE C 13 42.119 0.3 . 1 . . . A 113 LYS CE . 19045 1 1075 . 1 1 96 96 LYS N N 15 124.090 0.3 . 1 . . . A 113 LYS N . 19045 1 1076 . 1 1 97 97 ILE H H 1 8.042 0.020 . 1 . . . A 114 ILE H . 19045 1 1077 . 1 1 97 97 ILE HA H 1 3.145 0.020 . 1 . . . A 114 ILE HA . 19045 1 1078 . 1 1 97 97 ILE HB H 1 1.443 0.020 . 1 . . . A 114 ILE HB . 19045 1 1079 . 1 1 97 97 ILE HG12 H 1 1.732 0.020 . 2 . . . A 114 ILE HG12 . 19045 1 1080 . 1 1 97 97 ILE HG13 H 1 0.795 0.020 . 2 . . . A 114 ILE HG13 . 19045 1 1081 . 1 1 97 97 ILE HG21 H 1 -0.167 0.020 . 1 . . . A 114 ILE HG21 . 19045 1 1082 . 1 1 97 97 ILE HG22 H 1 -0.167 0.020 . 1 . . . A 114 ILE HG22 . 19045 1 1083 . 1 1 97 97 ILE HG23 H 1 -0.167 0.020 . 1 . . . A 114 ILE HG23 . 19045 1 1084 . 1 1 97 97 ILE HD11 H 1 0.581 0.020 . 1 . . . A 114 ILE HD11 . 19045 1 1085 . 1 1 97 97 ILE HD12 H 1 0.581 0.020 . 1 . . . A 114 ILE HD12 . 19045 1 1086 . 1 1 97 97 ILE HD13 H 1 0.581 0.020 . 1 . . . A 114 ILE HD13 . 19045 1 1087 . 1 1 97 97 ILE CA C 13 65.550 0.3 . 1 . . . A 114 ILE CA . 19045 1 1088 . 1 1 97 97 ILE CB C 13 37.402 0.3 . 1 . . . A 114 ILE CB . 19045 1 1089 . 1 1 97 97 ILE CG1 C 13 31.697 0.3 . 1 . . . A 114 ILE CG1 . 19045 1 1090 . 1 1 97 97 ILE CG2 C 13 17.706 0.3 . 1 . . . A 114 ILE CG2 . 19045 1 1091 . 1 1 97 97 ILE CD1 C 13 14.414 0.3 . 1 . . . A 114 ILE CD1 . 19045 1 1092 . 1 1 97 97 ILE N N 15 120.457 0.3 . 1 . . . A 114 ILE N . 19045 1 1093 . 1 1 98 98 ALA H H 1 8.208 0.020 . 1 . . . A 115 ALA H . 19045 1 1094 . 1 1 98 98 ALA HA H 1 3.219 0.020 . 1 . . . A 115 ALA HA . 19045 1 1095 . 1 1 98 98 ALA HB1 H 1 -0.199 0.020 . 1 . . . A 115 ALA HB1 . 19045 1 1096 . 1 1 98 98 ALA HB2 H 1 -0.199 0.020 . 1 . . . A 115 ALA HB2 . 19045 1 1097 . 1 1 98 98 ALA HB3 H 1 -0.199 0.020 . 1 . . . A 115 ALA HB3 . 19045 1 1098 . 1 1 98 98 ALA CA C 13 54.940 0.3 . 1 . . . A 115 ALA CA . 19045 1 1099 . 1 1 98 98 ALA CB C 13 16.345 0.3 . 1 . . . A 115 ALA CB . 19045 1 1100 . 1 1 98 98 ALA N N 15 121.066 0.3 . 1 . . . A 115 ALA N . 19045 1 1101 . 1 1 99 99 THR H H 1 7.893 0.020 . 1 . . . A 116 THR H . 19045 1 1102 . 1 1 99 99 THR HA H 1 3.808 0.020 . 1 . . . A 116 THR HA . 19045 1 1103 . 1 1 99 99 THR HB H 1 4.124 0.020 . 1 . . . A 116 THR HB . 19045 1 1104 . 1 1 99 99 THR HG21 H 1 1.192 0.020 . 1 . . . A 116 THR HG21 . 19045 1 1105 . 1 1 99 99 THR HG22 H 1 1.192 0.020 . 1 . . . A 116 THR HG22 . 19045 1 1106 . 1 1 99 99 THR HG23 H 1 1.192 0.020 . 1 . . . A 116 THR HG23 . 19045 1 1107 . 1 1 99 99 THR CA C 13 67.557 0.3 . 1 . . . A 116 THR CA . 19045 1 1108 . 1 1 99 99 THR CB C 13 68.431 0.3 . 1 . . . A 116 THR CB . 19045 1 1109 . 1 1 99 99 THR CG2 C 13 20.943 0.3 . 1 . . . A 116 THR CG2 . 19045 1 1110 . 1 1 99 99 THR N N 15 112.803 0.3 . 1 . . . A 116 THR N . 19045 1 1111 . 1 1 100 100 SER H H 1 7.139 0.020 . 1 . . . A 117 SER H . 19045 1 1112 . 1 1 100 100 SER HA H 1 4.070 0.020 . 1 . . . A 117 SER HA . 19045 1 1113 . 1 1 100 100 SER HB2 H 1 3.661 0.020 . 2 . . . A 117 SER HB2 . 19045 1 1114 . 1 1 100 100 SER HB3 H 1 3.592 0.020 . 2 . . . A 117 SER HB3 . 19045 1 1115 . 1 1 100 100 SER CA C 13 61.879 0.3 . 1 . . . A 117 SER CA . 19045 1 1116 . 1 1 100 100 SER CB C 13 62.907 0.3 . 1 . . . A 117 SER CB . 19045 1 1117 . 1 1 100 100 SER N N 15 115.935 0.3 . 1 . . . A 117 SER N . 19045 1 1118 . 1 1 101 101 LEU H H 1 7.844 0.020 . 1 . . . A 118 LEU H . 19045 1 1119 . 1 1 101 101 LEU HA H 1 3.596 0.020 . 1 . . . A 118 LEU HA . 19045 1 1120 . 1 1 101 101 LEU HB2 H 1 1.688 0.020 . 2 . . . A 118 LEU HB2 . 19045 1 1121 . 1 1 101 101 LEU HB3 H 1 0.918 0.020 . 2 . . . A 118 LEU HB3 . 19045 1 1122 . 1 1 101 101 LEU HG H 1 1.123 0.020 . 1 . . . A 118 LEU HG . 19045 1 1123 . 1 1 101 101 LEU HD11 H 1 0.305 0.020 . 1 . . . A 118 LEU HD11 . 19045 1 1124 . 1 1 101 101 LEU HD12 H 1 0.305 0.020 . 1 . . . A 118 LEU HD12 . 19045 1 1125 . 1 1 101 101 LEU HD13 H 1 0.305 0.020 . 1 . . . A 118 LEU HD13 . 19045 1 1126 . 1 1 101 101 LEU HD21 H 1 0.175 0.020 . 1 . . . A 118 LEU HD21 . 19045 1 1127 . 1 1 101 101 LEU HD22 H 1 0.175 0.020 . 1 . . . A 118 LEU HD22 . 19045 1 1128 . 1 1 101 101 LEU HD23 H 1 0.175 0.020 . 1 . . . A 118 LEU HD23 . 19045 1 1129 . 1 1 101 101 LEU CA C 13 58.014 0.3 . 1 . . . A 118 LEU CA . 19045 1 1130 . 1 1 101 101 LEU CB C 13 41.687 0.3 . 1 . . . A 118 LEU CB . 19045 1 1131 . 1 1 101 101 LEU CG C 13 26.188 0.3 . 1 . . . A 118 LEU CG . 19045 1 1132 . 1 1 101 101 LEU CD1 C 13 22.444 0.3 . 1 . . . A 118 LEU CD1 . 19045 1 1133 . 1 1 101 101 LEU CD2 C 13 25.373 0.3 . 1 . . . A 118 LEU CD2 . 19045 1 1134 . 1 1 101 101 LEU N N 15 123.462 0.3 . 1 . . . A 118 LEU N . 19045 1 1135 . 1 1 102 102 PHE H H 1 6.878 0.020 . 1 . . . A 119 PHE H . 19045 1 1136 . 1 1 102 102 PHE HA H 1 4.721 0.020 . 1 . . . A 119 PHE HA . 19045 1 1137 . 1 1 102 102 PHE HB2 H 1 3.283 0.020 . 2 . . . A 119 PHE HB2 . 19045 1 1138 . 1 1 102 102 PHE HB3 H 1 2.613 0.020 . 2 . . . A 119 PHE HB3 . 19045 1 1139 . 1 1 102 102 PHE HD1 H 1 7.505 0.020 . 1 . . . A 119 PHE HD1 . 19045 1 1140 . 1 1 102 102 PHE HD2 H 1 7.505 0.020 . 1 . . . A 119 PHE HD2 . 19045 1 1141 . 1 1 102 102 PHE HE1 H 1 6.907 0.020 . 1 . . . A 119 PHE HE1 . 19045 1 1142 . 1 1 102 102 PHE HE2 H 1 6.907 0.020 . 1 . . . A 119 PHE HE2 . 19045 1 1143 . 1 1 102 102 PHE HZ H 1 6.876 0.020 . 1 . . . A 119 PHE HZ . 19045 1 1144 . 1 1 102 102 PHE CA C 13 58.698 0.3 . 1 . . . A 119 PHE CA . 19045 1 1145 . 1 1 102 102 PHE CB C 13 38.838 0.3 . 1 . . . A 119 PHE CB . 19045 1 1146 . 1 1 102 102 PHE CD1 C 13 133.210 0.3 . 1 . . . A 119 PHE CD1 . 19045 1 1147 . 1 1 102 102 PHE CE1 C 13 130.635 0.3 . 1 . . . A 119 PHE CE1 . 19045 1 1148 . 1 1 102 102 PHE CZ C 13 128.880 0.3 . 1 . . . A 119 PHE CZ . 19045 1 1149 . 1 1 102 102 PHE N N 15 110.270 0.3 . 1 . . . A 119 PHE N . 19045 1 1150 . 1 1 103 103 GLU H H 1 7.551 0.020 . 1 . . . A 120 GLU H . 19045 1 1151 . 1 1 103 103 GLU HA H 1 4.016 0.020 . 1 . . . A 120 GLU HA . 19045 1 1152 . 1 1 103 103 GLU HB2 H 1 2.139 0.020 . 2 . . . A 120 GLU HB2 . 19045 1 1153 . 1 1 103 103 GLU HB3 H 1 1.985 0.020 . 2 . . . A 120 GLU HB3 . 19045 1 1154 . 1 1 103 103 GLU HG2 H 1 2.273 0.020 . 1 . . . A 120 GLU HG2 . 19045 1 1155 . 1 1 103 103 GLU HG3 H 1 2.273 0.020 . 1 . . . A 120 GLU HG3 . 19045 1 1156 . 1 1 103 103 GLU CA C 13 59.532 0.3 . 1 . . . A 120 GLU CA . 19045 1 1157 . 1 1 103 103 GLU CB C 13 29.337 0.3 . 1 . . . A 120 GLU CB . 19045 1 1158 . 1 1 103 103 GLU CG C 13 35.680 0.3 . 1 . . . A 120 GLU CG . 19045 1 1159 . 1 1 103 103 GLU N N 15 123.135 0.3 . 1 . . . A 120 GLU N . 19045 1 1160 . 1 1 104 104 SER H H 1 7.712 0.020 . 1 . . . A 121 SER H . 19045 1 1161 . 1 1 104 104 SER HA H 1 4.522 0.020 . 1 . . . A 121 SER HA . 19045 1 1162 . 1 1 104 104 SER HB2 H 1 4.097 0.020 . 2 . . . A 121 SER HB2 . 19045 1 1163 . 1 1 104 104 SER HB3 H 1 3.744 0.020 . 2 . . . A 121 SER HB3 . 19045 1 1164 . 1 1 104 104 SER CA C 13 57.342 0.3 . 1 . . . A 121 SER CA . 19045 1 1165 . 1 1 104 104 SER CB C 13 63.353 0.3 . 1 . . . A 121 SER CB . 19045 1 1166 . 1 1 104 104 SER N N 15 107.983 0.3 . 1 . . . A 121 SER N . 19045 1 1167 . 1 1 105 105 GLY H H 1 7.317 0.020 . 1 . . . A 122 GLY H . 19045 1 1168 . 1 1 105 105 GLY HA2 H 1 4.385 0.020 . 2 . . . A 122 GLY HA2 . 19045 1 1169 . 1 1 105 105 GLY HA3 H 1 3.639 0.020 . 2 . . . A 122 GLY HA3 . 19045 1 1170 . 1 1 105 105 GLY CA C 13 44.419 0.3 . 1 . . . A 122 GLY CA . 19045 1 1171 . 1 1 105 105 GLY N N 15 110.748 0.3 . 1 . . . A 122 GLY N . 19045 1 1172 . 1 1 106 106 ILE H H 1 7.963 0.020 . 1 . . . A 123 ILE H . 19045 1 1173 . 1 1 106 106 ILE HA H 1 3.724 0.020 . 1 . . . A 123 ILE HA . 19045 1 1174 . 1 1 106 106 ILE HB H 1 0.379 0.020 . 1 . . . A 123 ILE HB . 19045 1 1175 . 1 1 106 106 ILE HG12 H 1 1.303 0.020 . 2 . . . A 123 ILE HG12 . 19045 1 1176 . 1 1 106 106 ILE HG13 H 1 0.215 0.020 . 2 . . . A 123 ILE HG13 . 19045 1 1177 . 1 1 106 106 ILE HG21 H 1 -0.830 0.020 . 1 . . . A 123 ILE HG21 . 19045 1 1178 . 1 1 106 106 ILE HG22 H 1 -0.830 0.020 . 1 . . . A 123 ILE HG22 . 19045 1 1179 . 1 1 106 106 ILE HG23 H 1 -0.830 0.020 . 1 . . . A 123 ILE HG23 . 19045 1 1180 . 1 1 106 106 ILE HD11 H 1 0.345 0.020 . 1 . . . A 123 ILE HD11 . 19045 1 1181 . 1 1 106 106 ILE HD12 H 1 0.345 0.020 . 1 . . . A 123 ILE HD12 . 19045 1 1182 . 1 1 106 106 ILE HD13 H 1 0.345 0.020 . 1 . . . A 123 ILE HD13 . 19045 1 1183 . 1 1 106 106 ILE CA C 13 61.383 0.3 . 1 . . . A 123 ILE CA . 19045 1 1184 . 1 1 106 106 ILE CB C 13 40.588 0.3 . 1 . . . A 123 ILE CB . 19045 1 1185 . 1 1 106 106 ILE CG1 C 13 26.893 0.3 . 1 . . . A 123 ILE CG1 . 19045 1 1186 . 1 1 106 106 ILE CG2 C 13 16.544 0.3 . 1 . . . A 123 ILE CG2 . 19045 1 1187 . 1 1 106 106 ILE CD1 C 13 14.632 0.3 . 1 . . . A 123 ILE CD1 . 19045 1 1188 . 1 1 106 106 ILE N N 15 117.061 0.3 . 1 . . . A 123 ILE N . 19045 1 1189 . 1 1 107 107 ASN H H 1 6.434 0.020 . 1 . . . A 124 ASN H . 19045 1 1190 . 1 1 107 107 ASN HA H 1 4.204 0.020 . 1 . . . A 124 ASN HA . 19045 1 1191 . 1 1 107 107 ASN HB2 H 1 3.318 0.020 . 2 . . . A 124 ASN HB2 . 19045 1 1192 . 1 1 107 107 ASN HB3 H 1 2.935 0.020 . 2 . . . A 124 ASN HB3 . 19045 1 1193 . 1 1 107 107 ASN CA C 13 51.886 0.3 . 1 . . . A 124 ASN CA . 19045 1 1194 . 1 1 107 107 ASN CB C 13 39.033 0.3 . 1 . . . A 124 ASN CB . 19045 1 1195 . 1 1 107 107 ASN N N 15 117.915 0.3 . 1 . . . A 124 ASN N . 19045 1 1196 . 1 1 108 108 TRP H H 1 8.824 0.020 . 1 . . . A 125 TRP H . 19045 1 1197 . 1 1 108 108 TRP HA H 1 4.470 0.020 . 1 . . . A 125 TRP HA . 19045 1 1198 . 1 1 108 108 TRP HB2 H 1 3.404 0.020 . 2 . . . A 125 TRP HB2 . 19045 1 1199 . 1 1 108 108 TRP HB3 H 1 3.152 0.020 . 2 . . . A 125 TRP HB3 . 19045 1 1200 . 1 1 108 108 TRP HD1 H 1 6.995 0.020 . 1 . . . A 125 TRP HD1 . 19045 1 1201 . 1 1 108 108 TRP HE1 H 1 9.704 0.020 . 1 . . . A 125 TRP HE1 . 19045 1 1202 . 1 1 108 108 TRP HE3 H 1 6.680 0.020 . 1 . . . A 125 TRP HE3 . 19045 1 1203 . 1 1 108 108 TRP HZ2 H 1 6.996 0.020 . 1 . . . A 125 TRP HZ2 . 19045 1 1204 . 1 1 108 108 TRP HZ3 H 1 6.418 0.020 . 1 . . . A 125 TRP HZ3 . 19045 1 1205 . 1 1 108 108 TRP HH2 H 1 5.809 0.020 . 1 . . . A 125 TRP HH2 . 19045 1 1206 . 1 1 108 108 TRP CA C 13 61.257 0.3 . 1 . . . A 125 TRP CA . 19045 1 1207 . 1 1 108 108 TRP CB C 13 30.287 0.3 . 1 . . . A 125 TRP CB . 19045 1 1208 . 1 1 108 108 TRP CD1 C 13 127.655 0.3 . 1 . . . A 125 TRP CD1 . 19045 1 1209 . 1 1 108 108 TRP CE3 C 13 118.829 0.3 . 1 . . . A 125 TRP CE3 . 19045 1 1210 . 1 1 108 108 TRP CZ2 C 13 114.149 0.3 . 1 . . . A 125 TRP CZ2 . 19045 1 1211 . 1 1 108 108 TRP CZ3 C 13 119.719 0.3 . 1 . . . A 125 TRP CZ3 . 19045 1 1212 . 1 1 108 108 TRP CH2 C 13 123.963 0.3 . 1 . . . A 125 TRP CH2 . 19045 1 1213 . 1 1 108 108 TRP N N 15 119.673 0.3 . 1 . . . A 125 TRP N . 19045 1 1214 . 1 1 108 108 TRP NE1 N 15 129.705 0.3 . 1 . . . A 125 TRP NE1 . 19045 1 1215 . 1 1 109 109 GLY H H 1 9.118 0.020 . 1 . . . A 126 GLY H . 19045 1 1216 . 1 1 109 109 GLY HA2 H 1 4.458 0.020 . 2 . . . A 126 GLY HA2 . 19045 1 1217 . 1 1 109 109 GLY HA3 H 1 3.579 0.020 . 2 . . . A 126 GLY HA3 . 19045 1 1218 . 1 1 109 109 GLY CA C 13 48.294 0.3 . 1 . . . A 126 GLY CA . 19045 1 1219 . 1 1 109 109 GLY N N 15 107.516 0.3 . 1 . . . A 126 GLY N . 19045 1 1220 . 1 1 110 110 ARG H H 1 8.616 0.020 . 1 . . . A 127 ARG H . 19045 1 1221 . 1 1 110 110 ARG HA H 1 3.742 0.020 . 1 . . . A 127 ARG HA . 19045 1 1222 . 1 1 110 110 ARG HB2 H 1 1.326 0.020 . 1 . . . A 127 ARG HB2 . 19045 1 1223 . 1 1 110 110 ARG HB3 H 1 1.326 0.020 . 1 . . . A 127 ARG HB3 . 19045 1 1224 . 1 1 110 110 ARG HG2 H 1 1.013 0.020 . 1 . . . A 127 ARG HG2 . 19045 1 1225 . 1 1 110 110 ARG HG3 H 1 1.013 0.020 . 1 . . . A 127 ARG HG3 . 19045 1 1226 . 1 1 110 110 ARG HD2 H 1 2.660 0.020 . 2 . . . A 127 ARG HD2 . 19045 1 1227 . 1 1 110 110 ARG HD3 H 1 2.423 0.020 . 2 . . . A 127 ARG HD3 . 19045 1 1228 . 1 1 110 110 ARG HE H 1 6.388 0.020 . 1 . . . A 127 ARG HE . 19045 1 1229 . 1 1 110 110 ARG CA C 13 59.551 0.3 . 1 . . . A 127 ARG CA . 19045 1 1230 . 1 1 110 110 ARG CB C 13 31.163 0.3 . 1 . . . A 127 ARG CB . 19045 1 1231 . 1 1 110 110 ARG CG C 13 29.720 0.3 . 1 . . . A 127 ARG CG . 19045 1 1232 . 1 1 110 110 ARG CD C 13 43.292 0.3 . 1 . . . A 127 ARG CD . 19045 1 1233 . 1 1 110 110 ARG N N 15 119.610 0.3 . 1 . . . A 127 ARG N . 19045 1 1234 . 1 1 110 110 ARG NE N 15 117.953 0.3 . 1 . . . A 127 ARG NE . 19045 1 1235 . 1 1 111 111 VAL H H 1 7.762 0.020 . 1 . . . A 128 VAL H . 19045 1 1236 . 1 1 111 111 VAL HA H 1 3.662 0.020 . 1 . . . A 128 VAL HA . 19045 1 1237 . 1 1 111 111 VAL HB H 1 2.734 0.020 . 1 . . . A 128 VAL HB . 19045 1 1238 . 1 1 111 111 VAL HG11 H 1 1.099 0.020 . 1 . . . A 128 VAL HG11 . 19045 1 1239 . 1 1 111 111 VAL HG12 H 1 1.099 0.020 . 1 . . . A 128 VAL HG12 . 19045 1 1240 . 1 1 111 111 VAL HG13 H 1 1.099 0.020 . 1 . . . A 128 VAL HG13 . 19045 1 1241 . 1 1 111 111 VAL HG21 H 1 0.586 0.020 . 1 . . . A 128 VAL HG21 . 19045 1 1242 . 1 1 111 111 VAL HG22 H 1 0.586 0.020 . 1 . . . A 128 VAL HG22 . 19045 1 1243 . 1 1 111 111 VAL HG23 H 1 0.586 0.020 . 1 . . . A 128 VAL HG23 . 19045 1 1244 . 1 1 111 111 VAL CA C 13 68.387 0.3 . 1 . . . A 128 VAL CA . 19045 1 1245 . 1 1 111 111 VAL CB C 13 31.127 0.3 . 1 . . . A 128 VAL CB . 19045 1 1246 . 1 1 111 111 VAL CG1 C 13 21.786 0.3 . 1 . . . A 128 VAL CG1 . 19045 1 1247 . 1 1 111 111 VAL CG2 C 13 22.523 0.3 . 1 . . . A 128 VAL CG2 . 19045 1 1248 . 1 1 111 111 VAL N N 15 120.289 0.3 . 1 . . . A 128 VAL N . 19045 1 1249 . 1 1 112 112 VAL H H 1 8.433 0.020 . 1 . . . A 129 VAL H . 19045 1 1250 . 1 1 112 112 VAL HA H 1 3.449 0.020 . 1 . . . A 129 VAL HA . 19045 1 1251 . 1 1 112 112 VAL HB H 1 2.397 0.020 . 1 . . . A 129 VAL HB . 19045 1 1252 . 1 1 112 112 VAL HG11 H 1 1.251 0.020 . 1 . . . A 129 VAL HG11 . 19045 1 1253 . 1 1 112 112 VAL HG12 H 1 1.251 0.020 . 1 . . . A 129 VAL HG12 . 19045 1 1254 . 1 1 112 112 VAL HG13 H 1 1.251 0.020 . 1 . . . A 129 VAL HG13 . 19045 1 1255 . 1 1 112 112 VAL HG21 H 1 1.058 0.020 . 1 . . . A 129 VAL HG21 . 19045 1 1256 . 1 1 112 112 VAL HG22 H 1 1.058 0.020 . 1 . . . A 129 VAL HG22 . 19045 1 1257 . 1 1 112 112 VAL HG23 H 1 1.058 0.020 . 1 . . . A 129 VAL HG23 . 19045 1 1258 . 1 1 112 112 VAL CA C 13 67.772 0.3 . 1 . . . A 129 VAL CA . 19045 1 1259 . 1 1 112 112 VAL CB C 13 30.918 0.3 . 1 . . . A 129 VAL CB . 19045 1 1260 . 1 1 112 112 VAL CG1 C 13 24.453 0.3 . 1 . . . A 129 VAL CG1 . 19045 1 1261 . 1 1 112 112 VAL CG2 C 13 22.999 0.3 . 1 . . . A 129 VAL CG2 . 19045 1 1262 . 1 1 112 112 VAL N N 15 119.577 0.3 . 1 . . . A 129 VAL N . 19045 1 1263 . 1 1 113 113 ALA H H 1 8.766 0.020 . 1 . . . A 130 ALA H . 19045 1 1264 . 1 1 113 113 ALA HA H 1 4.069 0.020 . 1 . . . A 130 ALA HA . 19045 1 1265 . 1 1 113 113 ALA HB1 H 1 1.280 0.020 . 1 . . . A 130 ALA HB1 . 19045 1 1266 . 1 1 113 113 ALA HB2 H 1 1.280 0.020 . 1 . . . A 130 ALA HB2 . 19045 1 1267 . 1 1 113 113 ALA HB3 H 1 1.280 0.020 . 1 . . . A 130 ALA HB3 . 19045 1 1268 . 1 1 113 113 ALA CA C 13 54.978 0.3 . 1 . . . A 130 ALA CA . 19045 1 1269 . 1 1 113 113 ALA CB C 13 17.446 0.3 . 1 . . . A 130 ALA CB . 19045 1 1270 . 1 1 113 113 ALA N N 15 123.330 0.3 . 1 . . . A 130 ALA N . 19045 1 1271 . 1 1 114 114 LEU H H 1 8.178 0.020 . 1 . . . A 131 LEU H . 19045 1 1272 . 1 1 114 114 LEU HA H 1 3.961 0.020 . 1 . . . A 131 LEU HA . 19045 1 1273 . 1 1 114 114 LEU HB2 H 1 2.589 0.020 . 2 . . . A 131 LEU HB2 . 19045 1 1274 . 1 1 114 114 LEU HB3 H 1 1.681 0.020 . 2 . . . A 131 LEU HB3 . 19045 1 1275 . 1 1 114 114 LEU HG H 1 1.737 0.020 . 1 . . . A 131 LEU HG . 19045 1 1276 . 1 1 114 114 LEU HD11 H 1 1.130 0.020 . 1 . . . A 131 LEU HD11 . 19045 1 1277 . 1 1 114 114 LEU HD12 H 1 1.130 0.020 . 1 . . . A 131 LEU HD12 . 19045 1 1278 . 1 1 114 114 LEU HD13 H 1 1.130 0.020 . 1 . . . A 131 LEU HD13 . 19045 1 1279 . 1 1 114 114 LEU HD21 H 1 0.770 0.020 . 1 . . . A 131 LEU HD21 . 19045 1 1280 . 1 1 114 114 LEU HD22 H 1 0.770 0.020 . 1 . . . A 131 LEU HD22 . 19045 1 1281 . 1 1 114 114 LEU HD23 H 1 0.770 0.020 . 1 . . . A 131 LEU HD23 . 19045 1 1282 . 1 1 114 114 LEU CA C 13 58.353 0.3 . 1 . . . A 131 LEU CA . 19045 1 1283 . 1 1 114 114 LEU CB C 13 40.750 0.3 . 1 . . . A 131 LEU CB . 19045 1 1284 . 1 1 114 114 LEU CG C 13 27.079 0.3 . 1 . . . A 131 LEU CG . 19045 1 1285 . 1 1 114 114 LEU CD1 C 13 25.853 0.3 . 1 . . . A 131 LEU CD1 . 19045 1 1286 . 1 1 114 114 LEU CD2 C 13 23.635 0.3 . 1 . . . A 131 LEU CD2 . 19045 1 1287 . 1 1 114 114 LEU N N 15 120.040 0.3 . 1 . . . A 131 LEU N . 19045 1 1288 . 1 1 115 115 LEU H H 1 7.927 0.020 . 1 . . . A 132 LEU H . 19045 1 1289 . 1 1 115 115 LEU HA H 1 3.952 0.020 . 1 . . . A 132 LEU HA . 19045 1 1290 . 1 1 115 115 LEU HB2 H 1 1.495 0.020 . 2 . . . A 132 LEU HB2 . 19045 1 1291 . 1 1 115 115 LEU HB3 H 1 0.648 0.020 . 2 . . . A 132 LEU HB3 . 19045 1 1292 . 1 1 115 115 LEU HG H 1 0.643 0.020 . 1 . . . A 132 LEU HG . 19045 1 1293 . 1 1 115 115 LEU HD11 H 1 0.749 0.020 . 1 . . . A 132 LEU HD11 . 19045 1 1294 . 1 1 115 115 LEU HD12 H 1 0.749 0.020 . 1 . . . A 132 LEU HD12 . 19045 1 1295 . 1 1 115 115 LEU HD13 H 1 0.749 0.020 . 1 . . . A 132 LEU HD13 . 19045 1 1296 . 1 1 115 115 LEU HD21 H 1 0.749 0.020 . 1 . . . A 132 LEU HD21 . 19045 1 1297 . 1 1 115 115 LEU HD22 H 1 0.749 0.020 . 1 . . . A 132 LEU HD22 . 19045 1 1298 . 1 1 115 115 LEU HD23 H 1 0.749 0.020 . 1 . . . A 132 LEU HD23 . 19045 1 1299 . 1 1 115 115 LEU CA C 13 58.620 0.3 . 1 . . . A 132 LEU CA . 19045 1 1300 . 1 1 115 115 LEU CB C 13 38.835 0.3 . 1 . . . A 132 LEU CB . 19045 1 1301 . 1 1 115 115 LEU CG C 13 26.224 0.3 . 1 . . . A 132 LEU CG . 19045 1 1302 . 1 1 115 115 LEU CD1 C 13 22.188 0.3 . 1 . . . A 132 LEU CD1 . 19045 1 1303 . 1 1 115 115 LEU N N 15 119.150 0.3 . 1 . . . A 132 LEU N . 19045 1 1304 . 1 1 116 116 GLY H H 1 8.752 0.020 . 1 . . . A 133 GLY H . 19045 1 1305 . 1 1 116 116 GLY HA2 H 1 4.175 0.020 . 1 . . . A 133 GLY HA2 . 19045 1 1306 . 1 1 116 116 GLY HA3 H 1 4.175 0.020 . 1 . . . A 133 GLY HA3 . 19045 1 1307 . 1 1 116 116 GLY CA C 13 48.339 0.3 . 1 . . . A 133 GLY CA . 19045 1 1308 . 1 1 116 116 GLY N N 15 107.066 0.3 . 1 . . . A 133 GLY N . 19045 1 1309 . 1 1 117 117 PHE H H 1 8.606 0.020 . 1 . . . A 134 PHE H . 19045 1 1310 . 1 1 117 117 PHE HA H 1 4.601 0.020 . 1 . . . A 134 PHE HA . 19045 1 1311 . 1 1 117 117 PHE HB2 H 1 3.372 0.020 . 1 . . . A 134 PHE HB2 . 19045 1 1312 . 1 1 117 117 PHE HB3 H 1 3.372 0.020 . 1 . . . A 134 PHE HB3 . 19045 1 1313 . 1 1 117 117 PHE HD1 H 1 7.005 0.020 . 1 . . . A 134 PHE HD1 . 19045 1 1314 . 1 1 117 117 PHE HD2 H 1 7.005 0.020 . 1 . . . A 134 PHE HD2 . 19045 1 1315 . 1 1 117 117 PHE HE1 H 1 6.895 0.020 . 1 . . . A 134 PHE HE1 . 19045 1 1316 . 1 1 117 117 PHE HE2 H 1 6.895 0.020 . 1 . . . A 134 PHE HE2 . 19045 1 1317 . 1 1 117 117 PHE HZ H 1 6.772 0.020 . 1 . . . A 134 PHE HZ . 19045 1 1318 . 1 1 117 117 PHE CA C 13 59.884 0.3 . 1 . . . A 134 PHE CA . 19045 1 1319 . 1 1 117 117 PHE CB C 13 38.622 0.3 . 1 . . . A 134 PHE CB . 19045 1 1320 . 1 1 117 117 PHE CD2 C 13 131.883 0.3 . 1 . . . A 134 PHE CD2 . 19045 1 1321 . 1 1 117 117 PHE CE2 C 13 131.276 0.3 . 1 . . . A 134 PHE CE2 . 19045 1 1322 . 1 1 117 117 PHE CZ C 13 129.538 0.3 . 1 . . . A 134 PHE CZ . 19045 1 1323 . 1 1 117 117 PHE N N 15 123.521 0.3 . 1 . . . A 134 PHE N . 19045 1 1324 . 1 1 118 118 GLY H H 1 8.715 0.020 . 1 . . . A 135 GLY H . 19045 1 1325 . 1 1 118 118 GLY HA2 H 1 3.561 0.020 . 2 . . . A 135 GLY HA2 . 19045 1 1326 . 1 1 118 118 GLY HA3 H 1 3.436 0.020 . 2 . . . A 135 GLY HA3 . 19045 1 1327 . 1 1 118 118 GLY CA C 13 47.731 0.3 . 1 . . . A 135 GLY CA . 19045 1 1328 . 1 1 118 118 GLY N N 15 106.412 0.3 . 1 . . . A 135 GLY N . 19045 1 1329 . 1 1 119 119 TYR H H 1 8.809 0.020 . 1 . . . A 136 TYR H . 19045 1 1330 . 1 1 119 119 TYR HA H 1 4.116 0.020 . 1 . . . A 136 TYR HA . 19045 1 1331 . 1 1 119 119 TYR HB2 H 1 3.654 0.020 . 2 . . . A 136 TYR HB2 . 19045 1 1332 . 1 1 119 119 TYR HB3 H 1 3.227 0.020 . 2 . . . A 136 TYR HB3 . 19045 1 1333 . 1 1 119 119 TYR HD1 H 1 6.900 0.020 . 1 . . . A 136 TYR HD1 . 19045 1 1334 . 1 1 119 119 TYR HD2 H 1 6.900 0.020 . 1 . . . A 136 TYR HD2 . 19045 1 1335 . 1 1 119 119 TYR HE1 H 1 6.669 0.020 . 1 . . . A 136 TYR HE1 . 19045 1 1336 . 1 1 119 119 TYR HE2 H 1 6.669 0.020 . 1 . . . A 136 TYR HE2 . 19045 1 1337 . 1 1 119 119 TYR CA C 13 61.564 0.3 . 1 . . . A 136 TYR CA . 19045 1 1338 . 1 1 119 119 TYR CB C 13 38.469 0.3 . 1 . . . A 136 TYR CB . 19045 1 1339 . 1 1 119 119 TYR CD1 C 13 132.682 0.3 . 1 . . . A 136 TYR CD1 . 19045 1 1340 . 1 1 119 119 TYR CE1 C 13 118.359 0.3 . 1 . . . A 136 TYR CE1 . 19045 1 1341 . 1 1 119 119 TYR N N 15 121.461 0.3 . 1 . . . A 136 TYR N . 19045 1 1342 . 1 1 120 120 ARG H H 1 8.646 0.020 . 1 . . . A 137 ARG H . 19045 1 1343 . 1 1 120 120 ARG HA H 1 3.647 0.020 . 1 . . . A 137 ARG HA . 19045 1 1344 . 1 1 120 120 ARG HB2 H 1 1.959 0.020 . 2 . . . A 137 ARG HB2 . 19045 1 1345 . 1 1 120 120 ARG HB3 H 1 1.570 0.020 . 2 . . . A 137 ARG HB3 . 19045 1 1346 . 1 1 120 120 ARG HG2 H 1 1.742 0.020 . 1 . . . A 137 ARG HG2 . 19045 1 1347 . 1 1 120 120 ARG HG3 H 1 1.742 0.020 . 1 . . . A 137 ARG HG3 . 19045 1 1348 . 1 1 120 120 ARG HD2 H 1 3.159 0.020 . 2 . . . A 137 ARG HD2 . 19045 1 1349 . 1 1 120 120 ARG HD3 H 1 3.045 0.020 . 2 . . . A 137 ARG HD3 . 19045 1 1350 . 1 1 120 120 ARG HE H 1 6.535 0.020 . 1 . . . A 137 ARG HE . 19045 1 1351 . 1 1 120 120 ARG CA C 13 58.904 0.3 . 1 . . . A 137 ARG CA . 19045 1 1352 . 1 1 120 120 ARG CB C 13 29.189 0.3 . 1 . . . A 137 ARG CB . 19045 1 1353 . 1 1 120 120 ARG CG C 13 27.982 0.3 . 1 . . . A 137 ARG CG . 19045 1 1354 . 1 1 120 120 ARG CD C 13 43.134 0.3 . 1 . . . A 137 ARG CD . 19045 1 1355 . 1 1 120 120 ARG N N 15 117.518 0.3 . 1 . . . A 137 ARG N . 19045 1 1356 . 1 1 121 121 LEU H H 1 9.065 0.020 . 1 . . . A 138 LEU H . 19045 1 1357 . 1 1 121 121 LEU HA H 1 3.905 0.020 . 1 . . . A 138 LEU HA . 19045 1 1358 . 1 1 121 121 LEU HB2 H 1 1.870 0.020 . 2 . . . A 138 LEU HB2 . 19045 1 1359 . 1 1 121 121 LEU HB3 H 1 1.128 0.020 . 2 . . . A 138 LEU HB3 . 19045 1 1360 . 1 1 121 121 LEU HG H 1 1.004 0.020 . 1 . . . A 138 LEU HG . 19045 1 1361 . 1 1 121 121 LEU HD11 H 1 0.866 0.020 . 1 . . . A 138 LEU HD11 . 19045 1 1362 . 1 1 121 121 LEU HD12 H 1 0.866 0.020 . 1 . . . A 138 LEU HD12 . 19045 1 1363 . 1 1 121 121 LEU HD13 H 1 0.866 0.020 . 1 . . . A 138 LEU HD13 . 19045 1 1364 . 1 1 121 121 LEU HD21 H 1 0.866 0.020 . 1 . . . A 138 LEU HD21 . 19045 1 1365 . 1 1 121 121 LEU HD22 H 1 0.866 0.020 . 1 . . . A 138 LEU HD22 . 19045 1 1366 . 1 1 121 121 LEU HD23 H 1 0.866 0.020 . 1 . . . A 138 LEU HD23 . 19045 1 1367 . 1 1 121 121 LEU CA C 13 58.454 0.3 . 1 . . . A 138 LEU CA . 19045 1 1368 . 1 1 121 121 LEU CB C 13 41.801 0.3 . 1 . . . A 138 LEU CB . 19045 1 1369 . 1 1 121 121 LEU CG C 13 26.542 0.3 . 1 . . . A 138 LEU CG . 19045 1 1370 . 1 1 121 121 LEU CD1 C 13 23.517 0.3 . 1 . . . A 138 LEU CD1 . 19045 1 1371 . 1 1 121 121 LEU N N 15 121.658 0.3 . 1 . . . A 138 LEU N . 19045 1 1372 . 1 1 122 122 ALA H H 1 8.237 0.020 . 1 . . . A 139 ALA H . 19045 1 1373 . 1 1 122 122 ALA HA H 1 4.004 0.020 . 1 . . . A 139 ALA HA . 19045 1 1374 . 1 1 122 122 ALA HB1 H 1 1.427 0.020 . 1 . . . A 139 ALA HB1 . 19045 1 1375 . 1 1 122 122 ALA HB2 H 1 1.427 0.020 . 1 . . . A 139 ALA HB2 . 19045 1 1376 . 1 1 122 122 ALA HB3 H 1 1.427 0.020 . 1 . . . A 139 ALA HB3 . 19045 1 1377 . 1 1 122 122 ALA CA C 13 55.174 0.3 . 1 . . . A 139 ALA CA . 19045 1 1378 . 1 1 122 122 ALA CB C 13 17.943 0.3 . 1 . . . A 139 ALA CB . 19045 1 1379 . 1 1 122 122 ALA N N 15 120.012 0.3 . 1 . . . A 139 ALA N . 19045 1 1380 . 1 1 123 123 LEU H H 1 8.191 0.020 . 1 . . . A 140 LEU H . 19045 1 1381 . 1 1 123 123 LEU HA H 1 4.000 0.020 . 1 . . . A 140 LEU HA . 19045 1 1382 . 1 1 123 123 LEU HB2 H 1 1.553 0.020 . 2 . . . A 140 LEU HB2 . 19045 1 1383 . 1 1 123 123 LEU HB3 H 1 1.109 0.020 . 2 . . . A 140 LEU HB3 . 19045 1 1384 . 1 1 123 123 LEU HG H 1 1.393 0.020 . 1 . . . A 140 LEU HG . 19045 1 1385 . 1 1 123 123 LEU HD11 H 1 0.804 0.020 . 1 . . . A 140 LEU HD11 . 19045 1 1386 . 1 1 123 123 LEU HD12 H 1 0.804 0.020 . 1 . . . A 140 LEU HD12 . 19045 1 1387 . 1 1 123 123 LEU HD13 H 1 0.804 0.020 . 1 . . . A 140 LEU HD13 . 19045 1 1388 . 1 1 123 123 LEU HD21 H 1 0.804 0.020 . 1 . . . A 140 LEU HD21 . 19045 1 1389 . 1 1 123 123 LEU HD22 H 1 0.804 0.020 . 1 . . . A 140 LEU HD22 . 19045 1 1390 . 1 1 123 123 LEU HD23 H 1 0.804 0.020 . 1 . . . A 140 LEU HD23 . 19045 1 1391 . 1 1 123 123 LEU CA C 13 57.805 0.3 . 1 . . . A 140 LEU CA . 19045 1 1392 . 1 1 123 123 LEU CB C 13 42.324 0.3 . 1 . . . A 140 LEU CB . 19045 1 1393 . 1 1 123 123 LEU CG C 13 26.841 0.3 . 1 . . . A 140 LEU CG . 19045 1 1394 . 1 1 123 123 LEU CD1 C 13 25.202 0.3 . 1 . . . A 140 LEU CD1 . 19045 1 1395 . 1 1 123 123 LEU N N 15 119.522 0.3 . 1 . . . A 140 LEU N . 19045 1 1396 . 1 1 124 124 HIS H H 1 8.253 0.020 . 1 . . . A 141 HIS H . 19045 1 1397 . 1 1 124 124 HIS HA H 1 4.183 0.020 . 1 . . . A 141 HIS HA . 19045 1 1398 . 1 1 124 124 HIS HB2 H 1 3.193 0.020 . 2 . . . A 141 HIS HB2 . 19045 1 1399 . 1 1 124 124 HIS HB3 H 1 3.155 0.020 . 2 . . . A 141 HIS HB3 . 19045 1 1400 . 1 1 124 124 HIS HD2 H 1 7.128 0.020 . 1 . . . A 141 HIS HD2 . 19045 1 1401 . 1 1 124 124 HIS HE1 H 1 7.237 0.020 . 1 . . . A 141 HIS HE1 . 19045 1 1402 . 1 1 124 124 HIS CA C 13 60.960 0.3 . 1 . . . A 141 HIS CA . 19045 1 1403 . 1 1 124 124 HIS CB C 13 31.708 0.3 . 1 . . . A 141 HIS CB . 19045 1 1404 . 1 1 124 124 HIS CD2 C 13 119.771 0.3 . 1 . . . A 141 HIS CD2 . 19045 1 1405 . 1 1 124 124 HIS CE1 C 13 138.164 0.3 . 1 . . . A 141 HIS CE1 . 19045 1 1406 . 1 1 124 124 HIS N N 15 117.834 0.3 . 1 . . . A 141 HIS N . 19045 1 1407 . 1 1 125 125 VAL H H 1 8.455 0.020 . 1 . . . A 142 VAL H . 19045 1 1408 . 1 1 125 125 VAL HA H 1 3.887 0.020 . 1 . . . A 142 VAL HA . 19045 1 1409 . 1 1 125 125 VAL HB H 1 2.080 0.020 . 1 . . . A 142 VAL HB . 19045 1 1410 . 1 1 125 125 VAL HG11 H 1 0.968 0.020 . 1 . . . A 142 VAL HG11 . 19045 1 1411 . 1 1 125 125 VAL HG12 H 1 0.968 0.020 . 1 . . . A 142 VAL HG12 . 19045 1 1412 . 1 1 125 125 VAL HG13 H 1 0.968 0.020 . 1 . . . A 142 VAL HG13 . 19045 1 1413 . 1 1 125 125 VAL HG21 H 1 0.692 0.020 . 1 . . . A 142 VAL HG21 . 19045 1 1414 . 1 1 125 125 VAL HG22 H 1 0.692 0.020 . 1 . . . A 142 VAL HG22 . 19045 1 1415 . 1 1 125 125 VAL HG23 H 1 0.692 0.020 . 1 . . . A 142 VAL HG23 . 19045 1 1416 . 1 1 125 125 VAL CA C 13 65.948 0.3 . 1 . . . A 142 VAL CA . 19045 1 1417 . 1 1 125 125 VAL CB C 13 30.264 0.3 . 1 . . . A 142 VAL CB . 19045 1 1418 . 1 1 125 125 VAL CG1 C 13 19.942 0.3 . 1 . . . A 142 VAL CG1 . 19045 1 1419 . 1 1 125 125 VAL CG2 C 13 20.886 0.3 . 1 . . . A 142 VAL CG2 . 19045 1 1420 . 1 1 125 125 VAL N N 15 113.700 0.3 . 1 . . . A 142 VAL N . 19045 1 1421 . 1 1 126 126 TYR H H 1 7.750 0.020 . 1 . . . A 143 TYR H . 19045 1 1422 . 1 1 126 126 TYR HA H 1 4.320 0.020 . 1 . . . A 143 TYR HA . 19045 1 1423 . 1 1 126 126 TYR HB2 H 1 3.174 0.020 . 1 . . . A 143 TYR HB2 . 19045 1 1424 . 1 1 126 126 TYR HB3 H 1 3.174 0.020 . 1 . . . A 143 TYR HB3 . 19045 1 1425 . 1 1 126 126 TYR HD1 H 1 7.296 0.020 . 1 . . . A 143 TYR HD1 . 19045 1 1426 . 1 1 126 126 TYR HD2 H 1 7.296 0.020 . 1 . . . A 143 TYR HD2 . 19045 1 1427 . 1 1 126 126 TYR HE1 H 1 6.625 0.020 . 1 . . . A 143 TYR HE1 . 19045 1 1428 . 1 1 126 126 TYR HE2 H 1 6.625 0.020 . 1 . . . A 143 TYR HE2 . 19045 1 1429 . 1 1 126 126 TYR CA C 13 61.934 0.3 . 1 . . . A 143 TYR CA . 19045 1 1430 . 1 1 126 126 TYR CB C 13 38.779 0.3 . 1 . . . A 143 TYR CB . 19045 1 1431 . 1 1 126 126 TYR CD1 C 13 132.035 0.3 . 1 . . . A 143 TYR CD1 . 19045 1 1432 . 1 1 126 126 TYR CE1 C 13 118.982 0.3 . 1 . . . A 143 TYR CE1 . 19045 1 1433 . 1 1 126 126 TYR N N 15 123.307 0.3 . 1 . . . A 143 TYR N . 19045 1 1434 . 1 1 127 127 GLN H H 1 8.486 0.020 . 1 . . . A 144 GLN H . 19045 1 1435 . 1 1 127 127 GLN HA H 1 3.686 0.020 . 1 . . . A 144 GLN HA . 19045 1 1436 . 1 1 127 127 GLN HB2 H 1 2.082 0.020 . 2 . . . A 144 GLN HB2 . 19045 1 1437 . 1 1 127 127 GLN HB3 H 1 1.742 0.020 . 2 . . . A 144 GLN HB3 . 19045 1 1438 . 1 1 127 127 GLN HG2 H 1 2.658 0.020 . 2 . . . A 144 GLN HG2 . 19045 1 1439 . 1 1 127 127 GLN HG3 H 1 2.354 0.020 . 2 . . . A 144 GLN HG3 . 19045 1 1440 . 1 1 127 127 GLN HE21 H 1 6.822 0.020 . 1 . . . A 144 GLN HE21 . 19045 1 1441 . 1 1 127 127 GLN HE22 H 1 7.386 0.020 . 1 . . . A 144 GLN HE22 . 19045 1 1442 . 1 1 127 127 GLN CA C 13 58.055 0.3 . 1 . . . A 144 GLN CA . 19045 1 1443 . 1 1 127 127 GLN CB C 13 27.859 0.3 . 1 . . . A 144 GLN CB . 19045 1 1444 . 1 1 127 127 GLN CG C 13 34.389 0.3 . 1 . . . A 144 GLN CG . 19045 1 1445 . 1 1 127 127 GLN N N 15 118.560 0.3 . 1 . . . A 144 GLN N . 19045 1 1446 . 1 1 127 127 GLN NE2 N 15 110.565 0.3 . 1 . . . A 144 GLN NE2 . 19045 1 1447 . 1 1 128 128 HIS H H 1 7.350 0.020 . 1 . . . A 145 HIS H . 19045 1 1448 . 1 1 128 128 HIS HA H 1 4.330 0.020 . 1 . . . A 145 HIS HA . 19045 1 1449 . 1 1 128 128 HIS HB2 H 1 3.463 0.020 . 2 . . . A 145 HIS HB2 . 19045 1 1450 . 1 1 128 128 HIS HB3 H 1 2.709 0.020 . 2 . . . A 145 HIS HB3 . 19045 1 1451 . 1 1 128 128 HIS HD2 H 1 6.904 0.020 . 1 . . . A 145 HIS HD2 . 19045 1 1452 . 1 1 128 128 HIS HE1 H 1 7.821 0.020 . 1 . . . A 145 HIS HE1 . 19045 1 1453 . 1 1 128 128 HIS CA C 13 56.178 0.3 . 1 . . . A 145 HIS CA . 19045 1 1454 . 1 1 128 128 HIS CB C 13 27.751 0.3 . 1 . . . A 145 HIS CB . 19045 1 1455 . 1 1 128 128 HIS CD2 C 13 120.101 0.3 . 1 . . . A 145 HIS CD2 . 19045 1 1456 . 1 1 128 128 HIS CE1 C 13 138.184 0.3 . 1 . . . A 145 HIS CE1 . 19045 1 1457 . 1 1 128 128 HIS N N 15 114.312 0.3 . 1 . . . A 145 HIS N . 19045 1 1458 . 1 1 129 129 GLY H H 1 7.471 0.020 . 1 . . . A 146 GLY H . 19045 1 1459 . 1 1 129 129 GLY HA2 H 1 4.105 0.020 . 2 . . . A 146 GLY HA2 . 19045 1 1460 . 1 1 129 129 GLY HA3 H 1 3.486 0.020 . 2 . . . A 146 GLY HA3 . 19045 1 1461 . 1 1 129 129 GLY CA C 13 45.715 0.3 . 1 . . . A 146 GLY CA . 19045 1 1462 . 1 1 129 129 GLY N N 15 106.537 0.3 . 1 . . . A 146 GLY N . 19045 1 1463 . 1 1 130 130 LEU H H 1 7.933 0.020 . 1 . . . A 147 LEU H . 19045 1 1464 . 1 1 130 130 LEU HA H 1 4.496 0.020 . 1 . . . A 147 LEU HA . 19045 1 1465 . 1 1 130 130 LEU HB2 H 1 1.457 0.020 . 2 . . . A 147 LEU HB2 . 19045 1 1466 . 1 1 130 130 LEU HB3 H 1 1.110 0.020 . 2 . . . A 147 LEU HB3 . 19045 1 1467 . 1 1 130 130 LEU HG H 1 1.202 0.020 . 1 . . . A 147 LEU HG . 19045 1 1468 . 1 1 130 130 LEU HD11 H 1 0.693 0.020 . 1 . . . A 147 LEU HD11 . 19045 1 1469 . 1 1 130 130 LEU HD12 H 1 0.693 0.020 . 1 . . . A 147 LEU HD12 . 19045 1 1470 . 1 1 130 130 LEU HD13 H 1 0.693 0.020 . 1 . . . A 147 LEU HD13 . 19045 1 1471 . 1 1 130 130 LEU HD21 H 1 0.199 0.020 . 1 . . . A 147 LEU HD21 . 19045 1 1472 . 1 1 130 130 LEU HD22 H 1 0.199 0.020 . 1 . . . A 147 LEU HD22 . 19045 1 1473 . 1 1 130 130 LEU HD23 H 1 0.199 0.020 . 1 . . . A 147 LEU HD23 . 19045 1 1474 . 1 1 130 130 LEU CA C 13 54.259 0.3 . 1 . . . A 147 LEU CA . 19045 1 1475 . 1 1 130 130 LEU CB C 13 41.033 0.3 . 1 . . . A 147 LEU CB . 19045 1 1476 . 1 1 130 130 LEU CG C 13 26.942 0.3 . 1 . . . A 147 LEU CG . 19045 1 1477 . 1 1 130 130 LEU CD1 C 13 23.195 0.3 . 1 . . . A 147 LEU CD1 . 19045 1 1478 . 1 1 130 130 LEU CD2 C 13 24.253 0.3 . 1 . . . A 147 LEU CD2 . 19045 1 1479 . 1 1 130 130 LEU N N 15 123.302 0.3 . 1 . . . A 147 LEU N . 19045 1 1480 . 1 1 131 131 THR HA H 1 4.523 0.020 . 1 . . . A 148 THR HA . 19045 1 1481 . 1 1 131 131 THR HB H 1 4.313 0.020 . 1 . . . A 148 THR HB . 19045 1 1482 . 1 1 131 131 THR HG21 H 1 1.141 0.020 . 1 . . . A 148 THR HG21 . 19045 1 1483 . 1 1 131 131 THR HG22 H 1 1.141 0.020 . 1 . . . A 148 THR HG22 . 19045 1 1484 . 1 1 131 131 THR HG23 H 1 1.141 0.020 . 1 . . . A 148 THR HG23 . 19045 1 1485 . 1 1 131 131 THR CA C 13 61.027 0.3 . 1 . . . A 148 THR CA . 19045 1 1486 . 1 1 131 131 THR CB C 13 70.359 0.3 . 1 . . . A 148 THR CB . 19045 1 1487 . 1 1 131 131 THR CG2 C 13 21.551 0.3 . 1 . . . A 148 THR CG2 . 19045 1 1488 . 1 1 132 132 GLY H H 1 8.458 0.020 . 1 . . . A 149 GLY H . 19045 1 1489 . 1 1 132 132 GLY HA2 H 1 3.956 0.020 . 1 . . . A 149 GLY HA2 . 19045 1 1490 . 1 1 132 132 GLY HA3 H 1 3.956 0.020 . 1 . . . A 149 GLY HA3 . 19045 1 1491 . 1 1 132 132 GLY CA C 13 47.016 0.3 . 1 . . . A 149 GLY CA . 19045 1 1492 . 1 1 133 133 PHE H H 1 9.331 0.020 . 1 . . . A 150 PHE H . 19045 1 1493 . 1 1 133 133 PHE HA H 1 4.555 0.020 . 1 . . . A 150 PHE HA . 19045 1 1494 . 1 1 133 133 PHE HB2 H 1 2.906 0.020 . 2 . . . A 150 PHE HB2 . 19045 1 1495 . 1 1 133 133 PHE HB3 H 1 2.669 0.020 . 2 . . . A 150 PHE HB3 . 19045 1 1496 . 1 1 133 133 PHE HD1 H 1 7.070 0.020 . 1 . . . A 150 PHE HD1 . 19045 1 1497 . 1 1 133 133 PHE HD2 H 1 7.070 0.020 . 1 . . . A 150 PHE HD2 . 19045 1 1498 . 1 1 133 133 PHE HE1 H 1 7.085 0.020 . 1 . . . A 150 PHE HE1 . 19045 1 1499 . 1 1 133 133 PHE HE2 H 1 7.085 0.020 . 1 . . . A 150 PHE HE2 . 19045 1 1500 . 1 1 133 133 PHE HZ H 1 7.297 0.020 . 1 . . . A 150 PHE HZ . 19045 1 1501 . 1 1 133 133 PHE CA C 13 57.964 0.3 . 1 . . . A 150 PHE CA . 19045 1 1502 . 1 1 133 133 PHE CB C 13 42.911 0.3 . 1 . . . A 150 PHE CB . 19045 1 1503 . 1 1 133 133 PHE CD1 C 13 132.929 0.3 . 1 . . . A 150 PHE CD1 . 19045 1 1504 . 1 1 133 133 PHE CE1 C 13 130.628 0.3 . 1 . . . A 150 PHE CE1 . 19045 1 1505 . 1 1 133 133 PHE CZ C 13 129.298 0.3 . 1 . . . A 150 PHE CZ . 19045 1 1506 . 1 1 133 133 PHE N N 15 123.408 0.3 . 1 . . . A 150 PHE N . 19045 1 1507 . 1 1 134 134 LEU H H 1 8.470 0.020 . 1 . . . A 151 LEU H . 19045 1 1508 . 1 1 134 134 LEU HA H 1 3.859 0.020 . 1 . . . A 151 LEU HA . 19045 1 1509 . 1 1 134 134 LEU HB2 H 1 1.571 0.020 . 1 . . . A 151 LEU HB2 . 19045 1 1510 . 1 1 134 134 LEU HB3 H 1 1.571 0.020 . 1 . . . A 151 LEU HB3 . 19045 1 1511 . 1 1 134 134 LEU HG H 1 1.436 0.020 . 1 . . . A 151 LEU HG . 19045 1 1512 . 1 1 134 134 LEU HD11 H 1 0.782 0.020 . 1 . . . A 151 LEU HD11 . 19045 1 1513 . 1 1 134 134 LEU HD12 H 1 0.782 0.020 . 1 . . . A 151 LEU HD12 . 19045 1 1514 . 1 1 134 134 LEU HD13 H 1 0.782 0.020 . 1 . . . A 151 LEU HD13 . 19045 1 1515 . 1 1 134 134 LEU HD21 H 1 0.782 0.020 . 1 . . . A 151 LEU HD21 . 19045 1 1516 . 1 1 134 134 LEU HD22 H 1 0.782 0.020 . 1 . . . A 151 LEU HD22 . 19045 1 1517 . 1 1 134 134 LEU HD23 H 1 0.782 0.020 . 1 . . . A 151 LEU HD23 . 19045 1 1518 . 1 1 134 134 LEU CA C 13 58.454 0.3 . 1 . . . A 151 LEU CA . 19045 1 1519 . 1 1 134 134 LEU CB C 13 40.948 0.3 . 1 . . . A 151 LEU CB . 19045 1 1520 . 1 1 134 134 LEU CG C 13 26.992 0.3 . 1 . . . A 151 LEU CG . 19045 1 1521 . 1 1 134 134 LEU CD1 C 13 23.753 0.3 . 1 . . . A 151 LEU CD1 . 19045 1 1522 . 1 1 134 134 LEU N N 15 123.032 0.3 . 1 . . . A 151 LEU N . 19045 1 1523 . 1 1 135 135 GLY H H 1 8.577 0.020 . 1 . . . A 152 GLY H . 19045 1 1524 . 1 1 135 135 GLY HA2 H 1 3.719 0.020 . 2 . . . A 152 GLY HA2 . 19045 1 1525 . 1 1 135 135 GLY HA3 H 1 3.566 0.020 . 2 . . . A 152 GLY HA3 . 19045 1 1526 . 1 1 135 135 GLY CA C 13 46.676 0.3 . 1 . . . A 152 GLY CA . 19045 1 1527 . 1 1 135 135 GLY N N 15 108.386 0.3 . 1 . . . A 152 GLY N . 19045 1 1528 . 1 1 136 136 GLN H H 1 7.106 0.020 . 1 . . . A 153 GLN H . 19045 1 1529 . 1 1 136 136 GLN HA H 1 3.532 0.020 . 1 . . . A 153 GLN HA . 19045 1 1530 . 1 1 136 136 GLN HB2 H 1 0.837 0.020 . 2 . . . A 153 GLN HB2 . 19045 1 1531 . 1 1 136 136 GLN HB3 H 1 0.644 0.020 . 2 . . . A 153 GLN HB3 . 19045 1 1532 . 1 1 136 136 GLN HG2 H 1 1.859 0.020 . 2 . . . A 153 GLN HG2 . 19045 1 1533 . 1 1 136 136 GLN HG3 H 1 1.784 0.020 . 2 . . . A 153 GLN HG3 . 19045 1 1534 . 1 1 136 136 GLN HE21 H 1 6.764 0.020 . 1 . . . A 153 GLN HE21 . 19045 1 1535 . 1 1 136 136 GLN HE22 H 1 7.121 0.020 . 1 . . . A 153 GLN HE22 . 19045 1 1536 . 1 1 136 136 GLN CA C 13 57.844 0.3 . 1 . . . A 153 GLN CA . 19045 1 1537 . 1 1 136 136 GLN CB C 13 26.442 0.3 . 1 . . . A 153 GLN CB . 19045 1 1538 . 1 1 136 136 GLN CG C 13 33.798 0.3 . 1 . . . A 153 GLN CG . 19045 1 1539 . 1 1 136 136 GLN N N 15 122.055 0.3 . 1 . . . A 153 GLN N . 19045 1 1540 . 1 1 136 136 GLN NE2 N 15 112.294 0.3 . 1 . . . A 153 GLN NE2 . 19045 1 1541 . 1 1 137 137 VAL H H 1 7.033 0.020 . 1 . . . A 154 VAL H . 19045 1 1542 . 1 1 137 137 VAL HA H 1 2.428 0.020 . 1 . . . A 154 VAL HA . 19045 1 1543 . 1 1 137 137 VAL HB H 1 1.805 0.020 . 1 . . . A 154 VAL HB . 19045 1 1544 . 1 1 137 137 VAL HG11 H 1 0.778 0.020 . 1 . . . A 154 VAL HG11 . 19045 1 1545 . 1 1 137 137 VAL HG12 H 1 0.778 0.020 . 1 . . . A 154 VAL HG12 . 19045 1 1546 . 1 1 137 137 VAL HG13 H 1 0.778 0.020 . 1 . . . A 154 VAL HG13 . 19045 1 1547 . 1 1 137 137 VAL HG21 H 1 0.778 0.020 . 1 . . . A 154 VAL HG21 . 19045 1 1548 . 1 1 137 137 VAL HG22 H 1 0.778 0.020 . 1 . . . A 154 VAL HG22 . 19045 1 1549 . 1 1 137 137 VAL HG23 H 1 0.778 0.020 . 1 . . . A 154 VAL HG23 . 19045 1 1550 . 1 1 137 137 VAL CA C 13 66.089 0.3 . 1 . . . A 154 VAL CA . 19045 1 1551 . 1 1 137 137 VAL CB C 13 31.463 0.3 . 1 . . . A 154 VAL CB . 19045 1 1552 . 1 1 137 137 VAL CG1 C 13 23.094 0.3 . 1 . . . A 154 VAL CG1 . 19045 1 1553 . 1 1 137 137 VAL N N 15 116.706 0.3 . 1 . . . A 154 VAL N . 19045 1 1554 . 1 1 138 138 THR H H 1 7.860 0.020 . 1 . . . A 155 THR H . 19045 1 1555 . 1 1 138 138 THR HA H 1 3.317 0.020 . 1 . . . A 155 THR HA . 19045 1 1556 . 1 1 138 138 THR HB H 1 4.208 0.020 . 1 . . . A 155 THR HB . 19045 1 1557 . 1 1 138 138 THR HG21 H 1 1.207 0.020 . 1 . . . A 155 THR HG21 . 19045 1 1558 . 1 1 138 138 THR HG22 H 1 1.207 0.020 . 1 . . . A 155 THR HG22 . 19045 1 1559 . 1 1 138 138 THR HG23 H 1 1.207 0.020 . 1 . . . A 155 THR HG23 . 19045 1 1560 . 1 1 138 138 THR CA C 13 67.050 0.3 . 1 . . . A 155 THR CA . 19045 1 1561 . 1 1 138 138 THR CB C 13 68.307 0.3 . 1 . . . A 155 THR CB . 19045 1 1562 . 1 1 138 138 THR CG2 C 13 21.386 0.3 . 1 . . . A 155 THR CG2 . 19045 1 1563 . 1 1 138 138 THR N N 15 114.165 0.3 . 1 . . . A 155 THR N . 19045 1 1564 . 1 1 139 139 ARG H H 1 7.019 0.020 . 1 . . . A 156 ARG H . 19045 1 1565 . 1 1 139 139 ARG HA H 1 3.769 0.020 . 1 . . . A 156 ARG HA . 19045 1 1566 . 1 1 139 139 ARG HB2 H 1 1.838 0.020 . 2 . . . A 156 ARG HB2 . 19045 1 1567 . 1 1 139 139 ARG HB3 H 1 1.746 0.020 . 2 . . . A 156 ARG HB3 . 19045 1 1568 . 1 1 139 139 ARG HG2 H 1 1.626 0.020 . 2 . . . A 156 ARG HG2 . 19045 1 1569 . 1 1 139 139 ARG HG3 H 1 1.580 0.020 . 2 . . . A 156 ARG HG3 . 19045 1 1570 . 1 1 139 139 ARG HD2 H 1 3.066 0.020 . 1 . . . A 156 ARG HD2 . 19045 1 1571 . 1 1 139 139 ARG HD3 H 1 3.066 0.020 . 1 . . . A 156 ARG HD3 . 19045 1 1572 . 1 1 139 139 ARG CA C 13 58.769 0.3 . 1 . . . A 156 ARG CA . 19045 1 1573 . 1 1 139 139 ARG CB C 13 28.693 0.3 . 1 . . . A 156 ARG CB . 19045 1 1574 . 1 1 139 139 ARG CG C 13 26.421 0.3 . 1 . . . A 156 ARG CG . 19045 1 1575 . 1 1 139 139 ARG CD C 13 43.067 0.3 . 1 . . . A 156 ARG CD . 19045 1 1576 . 1 1 139 139 ARG N N 15 119.890 0.3 . 1 . . . A 156 ARG N . 19045 1 1577 . 1 1 140 140 PHE H H 1 8.030 0.020 . 1 . . . A 157 PHE H . 19045 1 1578 . 1 1 140 140 PHE HA H 1 4.426 0.020 . 1 . . . A 157 PHE HA . 19045 1 1579 . 1 1 140 140 PHE HB2 H 1 2.681 0.020 . 2 . . . A 157 PHE HB2 . 19045 1 1580 . 1 1 140 140 PHE HB3 H 1 2.303 0.020 . 2 . . . A 157 PHE HB3 . 19045 1 1581 . 1 1 140 140 PHE HD1 H 1 6.615 0.020 . 1 . . . A 157 PHE HD1 . 19045 1 1582 . 1 1 140 140 PHE HD2 H 1 6.615 0.020 . 1 . . . A 157 PHE HD2 . 19045 1 1583 . 1 1 140 140 PHE HE1 H 1 7.048 0.020 . 1 . . . A 157 PHE HE1 . 19045 1 1584 . 1 1 140 140 PHE HE2 H 1 7.048 0.020 . 1 . . . A 157 PHE HE2 . 19045 1 1585 . 1 1 140 140 PHE HZ H 1 7.271 0.020 . 1 . . . A 157 PHE HZ . 19045 1 1586 . 1 1 140 140 PHE CA C 13 56.928 0.3 . 1 . . . A 157 PHE CA . 19045 1 1587 . 1 1 140 140 PHE CB C 13 35.794 0.3 . 1 . . . A 157 PHE CB . 19045 1 1588 . 1 1 140 140 PHE CD1 C 13 131.017 0.3 . 1 . . . A 157 PHE CD1 . 19045 1 1589 . 1 1 140 140 PHE CE1 C 13 131.097 0.3 . 1 . . . A 157 PHE CE1 . 19045 1 1590 . 1 1 140 140 PHE CZ C 13 129.227 0.3 . 1 . . . A 157 PHE CZ . 19045 1 1591 . 1 1 140 140 PHE N N 15 118.242 0.3 . 1 . . . A 157 PHE N . 19045 1 1592 . 1 1 141 141 VAL H H 1 7.607 0.020 . 1 . . . A 158 VAL H . 19045 1 1593 . 1 1 141 141 VAL HA H 1 3.425 0.020 . 1 . . . A 158 VAL HA . 19045 1 1594 . 1 1 141 141 VAL HB H 1 1.805 0.020 . 1 . . . A 158 VAL HB . 19045 1 1595 . 1 1 141 141 VAL HG11 H 1 0.630 0.020 . 1 . . . A 158 VAL HG11 . 19045 1 1596 . 1 1 141 141 VAL HG12 H 1 0.630 0.020 . 1 . . . A 158 VAL HG12 . 19045 1 1597 . 1 1 141 141 VAL HG13 H 1 0.630 0.020 . 1 . . . A 158 VAL HG13 . 19045 1 1598 . 1 1 141 141 VAL HG21 H 1 0.292 0.020 . 1 . . . A 158 VAL HG21 . 19045 1 1599 . 1 1 141 141 VAL HG22 H 1 0.292 0.020 . 1 . . . A 158 VAL HG22 . 19045 1 1600 . 1 1 141 141 VAL HG23 H 1 0.292 0.020 . 1 . . . A 158 VAL HG23 . 19045 1 1601 . 1 1 141 141 VAL CA C 13 67.288 0.3 . 1 . . . A 158 VAL CA . 19045 1 1602 . 1 1 141 141 VAL CB C 13 31.554 0.3 . 1 . . . A 158 VAL CB . 19045 1 1603 . 1 1 141 141 VAL CG1 C 13 21.238 0.3 . 1 . . . A 158 VAL CG1 . 19045 1 1604 . 1 1 141 141 VAL CG2 C 13 21.577 0.3 . 1 . . . A 158 VAL CG2 . 19045 1 1605 . 1 1 141 141 VAL N N 15 118.961 0.3 . 1 . . . A 158 VAL N . 19045 1 1606 . 1 1 142 142 VAL H H 1 8.039 0.020 . 1 . . . A 159 VAL H . 19045 1 1607 . 1 1 142 142 VAL HA H 1 3.358 0.020 . 1 . . . A 159 VAL HA . 19045 1 1608 . 1 1 142 142 VAL HB H 1 1.988 0.020 . 1 . . . A 159 VAL HB . 19045 1 1609 . 1 1 142 142 VAL HG11 H 1 0.968 0.020 . 1 . . . A 159 VAL HG11 . 19045 1 1610 . 1 1 142 142 VAL HG12 H 1 0.968 0.020 . 1 . . . A 159 VAL HG12 . 19045 1 1611 . 1 1 142 142 VAL HG13 H 1 0.968 0.020 . 1 . . . A 159 VAL HG13 . 19045 1 1612 . 1 1 142 142 VAL HG21 H 1 0.929 0.020 . 1 . . . A 159 VAL HG21 . 19045 1 1613 . 1 1 142 142 VAL HG22 H 1 0.929 0.020 . 1 . . . A 159 VAL HG22 . 19045 1 1614 . 1 1 142 142 VAL HG23 H 1 0.929 0.020 . 1 . . . A 159 VAL HG23 . 19045 1 1615 . 1 1 142 142 VAL CA C 13 67.570 0.3 . 1 . . . A 159 VAL CA . 19045 1 1616 . 1 1 142 142 VAL CB C 13 32.355 0.3 . 1 . . . A 159 VAL CB . 19045 1 1617 . 1 1 142 142 VAL CG1 C 13 22.072 0.3 . 1 . . . A 159 VAL CG1 . 19045 1 1618 . 1 1 142 142 VAL CG2 C 13 21.037 0.3 . 1 . . . A 159 VAL CG2 . 19045 1 1619 . 1 1 142 142 VAL N N 15 119.773 0.3 . 1 . . . A 159 VAL N . 19045 1 1620 . 1 1 143 143 ASP H H 1 8.752 0.020 . 1 . . . A 160 ASP H . 19045 1 1621 . 1 1 143 143 ASP HA H 1 4.293 0.020 . 1 . . . A 160 ASP HA . 19045 1 1622 . 1 1 143 143 ASP HB2 H 1 2.946 0.020 . 2 . . . A 160 ASP HB2 . 19045 1 1623 . 1 1 143 143 ASP HB3 H 1 2.830 0.020 . 2 . . . A 160 ASP HB3 . 19045 1 1624 . 1 1 143 143 ASP CA C 13 57.567 0.3 . 1 . . . A 160 ASP CA . 19045 1 1625 . 1 1 143 143 ASP CB C 13 41.474 0.3 . 1 . . . A 160 ASP CB . 19045 1 1626 . 1 1 143 143 ASP N N 15 118.382 0.3 . 1 . . . A 160 ASP N . 19045 1 1627 . 1 1 144 144 PHE H H 1 8.558 0.020 . 1 . . . A 161 PHE H . 19045 1 1628 . 1 1 144 144 PHE HA H 1 4.175 0.020 . 1 . . . A 161 PHE HA . 19045 1 1629 . 1 1 144 144 PHE HB2 H 1 3.680 0.020 . 2 . . . A 161 PHE HB2 . 19045 1 1630 . 1 1 144 144 PHE HB3 H 1 3.251 0.020 . 2 . . . A 161 PHE HB3 . 19045 1 1631 . 1 1 144 144 PHE HD1 H 1 6.818 0.020 . 1 . . . A 161 PHE HD1 . 19045 1 1632 . 1 1 144 144 PHE HD2 H 1 6.818 0.020 . 1 . . . A 161 PHE HD2 . 19045 1 1633 . 1 1 144 144 PHE HE1 H 1 6.931 0.020 . 1 . . . A 161 PHE HE1 . 19045 1 1634 . 1 1 144 144 PHE HE2 H 1 6.931 0.020 . 1 . . . A 161 PHE HE2 . 19045 1 1635 . 1 1 144 144 PHE HZ H 1 6.706 0.020 . 1 . . . A 161 PHE HZ . 19045 1 1636 . 1 1 144 144 PHE CA C 13 62.688 0.3 . 1 . . . A 161 PHE CA . 19045 1 1637 . 1 1 144 144 PHE CB C 13 39.789 0.3 . 1 . . . A 161 PHE CB . 19045 1 1638 . 1 1 144 144 PHE CD2 C 13 132.376 0.3 . 1 . . . A 161 PHE CD2 . 19045 1 1639 . 1 1 144 144 PHE CE2 C 13 130.611 0.3 . 1 . . . A 161 PHE CE2 . 19045 1 1640 . 1 1 144 144 PHE CZ C 13 129.310 0.3 . 1 . . . A 161 PHE CZ . 19045 1 1641 . 1 1 144 144 PHE N N 15 119.972 0.3 . 1 . . . A 161 PHE N . 19045 1 1642 . 1 1 145 145 MET H H 1 8.597 0.020 . 1 . . . A 162 MET H . 19045 1 1643 . 1 1 145 145 MET HA H 1 3.702 0.020 . 1 . . . A 162 MET HA . 19045 1 1644 . 1 1 145 145 MET HB2 H 1 2.455 0.020 . 2 . . . A 162 MET HB2 . 19045 1 1645 . 1 1 145 145 MET HB3 H 1 1.755 0.020 . 2 . . . A 162 MET HB3 . 19045 1 1646 . 1 1 145 145 MET HG2 H 1 3.190 0.020 . 2 . . . A 162 MET HG2 . 19045 1 1647 . 1 1 145 145 MET HG3 H 1 2.477 0.020 . 2 . . . A 162 MET HG3 . 19045 1 1648 . 1 1 145 145 MET HE1 H 1 2.024 0.020 . 1 . . . A 162 MET HE1 . 19045 1 1649 . 1 1 145 145 MET HE2 H 1 2.024 0.020 . 1 . . . A 162 MET HE2 . 19045 1 1650 . 1 1 145 145 MET HE3 H 1 2.024 0.020 . 1 . . . A 162 MET HE3 . 19045 1 1651 . 1 1 145 145 MET CA C 13 59.342 0.3 . 1 . . . A 162 MET CA . 19045 1 1652 . 1 1 145 145 MET CB C 13 32.081 0.3 . 1 . . . A 162 MET CB . 19045 1 1653 . 1 1 145 145 MET CG C 13 33.305 0.3 . 1 . . . A 162 MET CG . 19045 1 1654 . 1 1 145 145 MET CE C 13 17.777 0.3 . 1 . . . A 162 MET CE . 19045 1 1655 . 1 1 145 145 MET N N 15 116.261 0.3 . 1 . . . A 162 MET N . 19045 1 1656 . 1 1 146 146 LEU H H 1 8.291 0.020 . 1 . . . A 163 LEU H . 19045 1 1657 . 1 1 146 146 LEU HA H 1 3.952 0.020 . 1 . . . A 163 LEU HA . 19045 1 1658 . 1 1 146 146 LEU HB2 H 1 1.377 0.020 . 1 . . . A 163 LEU HB2 . 19045 1 1659 . 1 1 146 146 LEU HB3 H 1 1.377 0.020 . 1 . . . A 163 LEU HB3 . 19045 1 1660 . 1 1 146 146 LEU HG H 1 1.005 0.020 . 1 . . . A 163 LEU HG . 19045 1 1661 . 1 1 146 146 LEU HD11 H 1 0.642 0.020 . 1 . . . A 163 LEU HD11 . 19045 1 1662 . 1 1 146 146 LEU HD12 H 1 0.642 0.020 . 1 . . . A 163 LEU HD12 . 19045 1 1663 . 1 1 146 146 LEU HD13 H 1 0.642 0.020 . 1 . . . A 163 LEU HD13 . 19045 1 1664 . 1 1 146 146 LEU HD21 H 1 0.642 0.020 . 1 . . . A 163 LEU HD21 . 19045 1 1665 . 1 1 146 146 LEU HD22 H 1 0.642 0.020 . 1 . . . A 163 LEU HD22 . 19045 1 1666 . 1 1 146 146 LEU HD23 H 1 0.642 0.020 . 1 . . . A 163 LEU HD23 . 19045 1 1667 . 1 1 146 146 LEU CA C 13 57.856 0.3 . 1 . . . A 163 LEU CA . 19045 1 1668 . 1 1 146 146 LEU CB C 13 42.236 0.3 . 1 . . . A 163 LEU CB . 19045 1 1669 . 1 1 146 146 LEU CG C 13 26.341 0.3 . 1 . . . A 163 LEU CG . 19045 1 1670 . 1 1 146 146 LEU CD1 C 13 24.701 0.3 . 1 . . . A 163 LEU CD1 . 19045 1 1671 . 1 1 146 146 LEU N N 15 119.069 0.3 . 1 . . . A 163 LEU N . 19045 1 1672 . 1 1 147 147 HIS H H 1 8.111 0.020 . 1 . . . A 164 HIS H . 19045 1 1673 . 1 1 147 147 HIS HA H 1 4.430 0.020 . 1 . . . A 164 HIS HA . 19045 1 1674 . 1 1 147 147 HIS HB2 H 1 3.109 0.020 . 2 . . . A 164 HIS HB2 . 19045 1 1675 . 1 1 147 147 HIS HB3 H 1 2.954 0.020 . 2 . . . A 164 HIS HB3 . 19045 1 1676 . 1 1 147 147 HIS HD2 H 1 6.779 0.020 . 1 . . . A 164 HIS HD2 . 19045 1 1677 . 1 1 147 147 HIS HE1 H 1 8.466 0.020 . 1 . . . A 164 HIS HE1 . 19045 1 1678 . 1 1 147 147 HIS CA C 13 57.289 0.3 . 1 . . . A 164 HIS CA . 19045 1 1679 . 1 1 147 147 HIS CB C 13 28.766 0.3 . 1 . . . A 164 HIS CB . 19045 1 1680 . 1 1 147 147 HIS CD2 C 13 120.456 0.3 . 1 . . . A 164 HIS CD2 . 19045 1 1681 . 1 1 147 147 HIS CE1 C 13 136.932 0.3 . 1 . . . A 164 HIS CE1 . 19045 1 1682 . 1 1 147 147 HIS N N 15 113.591 0.3 . 1 . . . A 164 HIS N . 19045 1 1683 . 1 1 148 148 HIS H H 1 7.789 0.020 . 1 . . . A 165 HIS H . 19045 1 1684 . 1 1 148 148 HIS HA H 1 4.602 0.020 . 1 . . . A 165 HIS HA . 19045 1 1685 . 1 1 148 148 HIS HB2 H 1 2.764 0.020 . 2 . . . A 165 HIS HB2 . 19045 1 1686 . 1 1 148 148 HIS HB3 H 1 1.714 0.020 . 2 . . . A 165 HIS HB3 . 19045 1 1687 . 1 1 148 148 HIS HD2 H 1 6.773 0.020 . 1 . . . A 165 HIS HD2 . 19045 1 1688 . 1 1 148 148 HIS HE1 H 1 8.406 0.020 . 1 . . . A 165 HIS HE1 . 19045 1 1689 . 1 1 148 148 HIS CA C 13 54.752 0.3 . 1 . . . A 165 HIS CA . 19045 1 1690 . 1 1 148 148 HIS CB C 13 26.766 0.3 . 1 . . . A 165 HIS CB . 19045 1 1691 . 1 1 148 148 HIS CD2 C 13 120.367 0.3 . 1 . . . A 165 HIS CD2 . 19045 1 1692 . 1 1 148 148 HIS CE1 C 13 136.242 0.3 . 1 . . . A 165 HIS CE1 . 19045 1 1693 . 1 1 148 148 HIS N N 15 115.730 0.3 . 1 . . . A 165 HIS N . 19045 1 1694 . 1 1 149 149 CYS H H 1 7.761 0.020 . 1 . . . A 166 CYS H . 19045 1 1695 . 1 1 149 149 CYS HA H 1 4.274 0.020 . 1 . . . A 166 CYS HA . 19045 1 1696 . 1 1 149 149 CYS HB2 H 1 3.035 0.020 . 2 . . . A 166 CYS HB2 . 19045 1 1697 . 1 1 149 149 CYS HB3 H 1 2.987 0.020 . 2 . . . A 166 CYS HB3 . 19045 1 1698 . 1 1 149 149 CYS CA C 13 61.452 0.3 . 1 . . . A 166 CYS CA . 19045 1 1699 . 1 1 149 149 CYS CB C 13 25.215 0.3 . 1 . . . A 166 CYS CB . 19045 1 1700 . 1 1 149 149 CYS N N 15 109.533 0.3 . 1 . . . A 166 CYS N . 19045 1 1701 . 1 1 150 150 ILE H H 1 7.574 0.020 . 1 . . . A 167 ILE H . 19045 1 1702 . 1 1 150 150 ILE HA H 1 3.563 0.020 . 1 . . . A 167 ILE HA . 19045 1 1703 . 1 1 150 150 ILE HB H 1 1.737 0.020 . 1 . . . A 167 ILE HB . 19045 1 1704 . 1 1 150 150 ILE HG12 H 1 0.821 0.020 . 2 . . . A 167 ILE HG12 . 19045 1 1705 . 1 1 150 150 ILE HG13 H 1 0.774 0.020 . 2 . . . A 167 ILE HG13 . 19045 1 1706 . 1 1 150 150 ILE HG21 H 1 0.526 0.020 . 1 . . . A 167 ILE HG21 . 19045 1 1707 . 1 1 150 150 ILE HG22 H 1 0.526 0.020 . 1 . . . A 167 ILE HG22 . 19045 1 1708 . 1 1 150 150 ILE HG23 H 1 0.526 0.020 . 1 . . . A 167 ILE HG23 . 19045 1 1709 . 1 1 150 150 ILE HD11 H 1 -0.285 0.020 . 1 . . . A 167 ILE HD11 . 19045 1 1710 . 1 1 150 150 ILE HD12 H 1 -0.285 0.020 . 1 . . . A 167 ILE HD12 . 19045 1 1711 . 1 1 150 150 ILE HD13 H 1 -0.285 0.020 . 1 . . . A 167 ILE HD13 . 19045 1 1712 . 1 1 150 150 ILE CA C 13 62.212 0.3 . 1 . . . A 167 ILE CA . 19045 1 1713 . 1 1 150 150 ILE CB C 13 35.969 0.3 . 1 . . . A 167 ILE CB . 19045 1 1714 . 1 1 150 150 ILE CG1 C 13 28.057 0.3 . 1 . . . A 167 ILE CG1 . 19045 1 1715 . 1 1 150 150 ILE CG2 C 13 18.624 0.3 . 1 . . . A 167 ILE CG2 . 19045 1 1716 . 1 1 150 150 ILE CD1 C 13 8.951 0.3 . 1 . . . A 167 ILE CD1 . 19045 1 1717 . 1 1 150 150 ILE N N 15 119.980 0.3 . 1 . . . A 167 ILE N . 19045 1 1718 . 1 1 151 151 ALA H H 1 7.935 0.020 . 1 . . . A 168 ALA H . 19045 1 1719 . 1 1 151 151 ALA HA H 1 3.775 0.020 . 1 . . . A 168 ALA HA . 19045 1 1720 . 1 1 151 151 ALA HB1 H 1 1.335 0.020 . 1 . . . A 168 ALA HB1 . 19045 1 1721 . 1 1 151 151 ALA HB2 H 1 1.335 0.020 . 1 . . . A 168 ALA HB2 . 19045 1 1722 . 1 1 151 151 ALA HB3 H 1 1.335 0.020 . 1 . . . A 168 ALA HB3 . 19045 1 1723 . 1 1 151 151 ALA CA C 13 55.082 0.3 . 1 . . . A 168 ALA CA . 19045 1 1724 . 1 1 151 151 ALA CB C 13 16.505 0.3 . 1 . . . A 168 ALA CB . 19045 1 1725 . 1 1 151 151 ALA N N 15 121.737 0.3 . 1 . . . A 168 ALA N . 19045 1 1726 . 1 1 152 152 ARG H H 1 7.936 0.020 . 1 . . . A 169 ARG H . 19045 1 1727 . 1 1 152 152 ARG HA H 1 3.550 0.020 . 1 . . . A 169 ARG HA . 19045 1 1728 . 1 1 152 152 ARG HB2 H 1 1.759 0.020 . 2 . . . A 169 ARG HB2 . 19045 1 1729 . 1 1 152 152 ARG HB3 H 1 1.573 0.020 . 2 . . . A 169 ARG HB3 . 19045 1 1730 . 1 1 152 152 ARG HG2 H 1 1.426 0.020 . 1 . . . A 169 ARG HG2 . 19045 1 1731 . 1 1 152 152 ARG HG3 H 1 1.426 0.020 . 1 . . . A 169 ARG HG3 . 19045 1 1732 . 1 1 152 152 ARG HD2 H 1 3.098 0.020 . 1 . . . A 169 ARG HD2 . 19045 1 1733 . 1 1 152 152 ARG HD3 H 1 3.098 0.020 . 1 . . . A 169 ARG HD3 . 19045 1 1734 . 1 1 152 152 ARG HE H 1 6.629 0.020 . 1 . . . A 169 ARG HE . 19045 1 1735 . 1 1 152 152 ARG CA C 13 59.581 0.3 . 1 . . . A 169 ARG CA . 19045 1 1736 . 1 1 152 152 ARG CB C 13 29.380 0.3 . 1 . . . A 169 ARG CB . 19045 1 1737 . 1 1 152 152 ARG CG C 13 26.610 0.3 . 1 . . . A 169 ARG CG . 19045 1 1738 . 1 1 152 152 ARG CD C 13 43.439 0.3 . 1 . . . A 169 ARG CD . 19045 1 1739 . 1 1 152 152 ARG N N 15 118.369 0.3 . 1 . . . A 169 ARG N . 19045 1 1740 . 1 1 153 153 TRP H H 1 7.259 0.020 . 1 . . . A 170 TRP H . 19045 1 1741 . 1 1 153 153 TRP HA H 1 3.763 0.020 . 1 . . . A 170 TRP HA . 19045 1 1742 . 1 1 153 153 TRP HB2 H 1 3.232 0.020 . 2 . . . A 170 TRP HB2 . 19045 1 1743 . 1 1 153 153 TRP HB3 H 1 3.023 0.020 . 2 . . . A 170 TRP HB3 . 19045 1 1744 . 1 1 153 153 TRP HD1 H 1 7.536 0.020 . 1 . . . A 170 TRP HD1 . 19045 1 1745 . 1 1 153 153 TRP HE1 H 1 10.024 0.020 . 1 . . . A 170 TRP HE1 . 19045 1 1746 . 1 1 153 153 TRP HE3 H 1 7.523 0.020 . 1 . . . A 170 TRP HE3 . 19045 1 1747 . 1 1 153 153 TRP HZ2 H 1 6.956 0.020 . 1 . . . A 170 TRP HZ2 . 19045 1 1748 . 1 1 153 153 TRP HZ3 H 1 6.904 0.020 . 1 . . . A 170 TRP HZ3 . 19045 1 1749 . 1 1 153 153 TRP HH2 H 1 6.756 0.020 . 1 . . . A 170 TRP HH2 . 19045 1 1750 . 1 1 153 153 TRP CA C 13 62.080 0.3 . 1 . . . A 170 TRP CA . 19045 1 1751 . 1 1 153 153 TRP CB C 13 29.423 0.3 . 1 . . . A 170 TRP CB . 19045 1 1752 . 1 1 153 153 TRP CD1 C 13 128.595 0.3 . 1 . . . A 170 TRP CD1 . 19045 1 1753 . 1 1 153 153 TRP CE3 C 13 119.831 0.3 . 1 . . . A 170 TRP CE3 . 19045 1 1754 . 1 1 153 153 TRP CZ2 C 13 114.172 0.3 . 1 . . . A 170 TRP CZ2 . 19045 1 1755 . 1 1 153 153 TRP CZ3 C 13 121.357 0.3 . 1 . . . A 170 TRP CZ3 . 19045 1 1756 . 1 1 153 153 TRP CH2 C 13 124.640 0.3 . 1 . . . A 170 TRP CH2 . 19045 1 1757 . 1 1 153 153 TRP N N 15 121.173 0.3 . 1 . . . A 170 TRP N . 19045 1 1758 . 1 1 153 153 TRP NE1 N 15 127.610 0.3 . 1 . . . A 170 TRP NE1 . 19045 1 1759 . 1 1 154 154 ILE H H 1 8.074 0.020 . 1 . . . A 171 ILE H . 19045 1 1760 . 1 1 154 154 ILE HA H 1 2.864 0.020 . 1 . . . A 171 ILE HA . 19045 1 1761 . 1 1 154 154 ILE HB H 1 1.345 0.020 . 1 . . . A 171 ILE HB . 19045 1 1762 . 1 1 154 154 ILE HG12 H 1 1.580 0.020 . 2 . . . A 171 ILE HG12 . 19045 1 1763 . 1 1 154 154 ILE HG13 H 1 0.233 0.020 . 2 . . . A 171 ILE HG13 . 19045 1 1764 . 1 1 154 154 ILE HG21 H 1 0.001 0.020 . 1 . . . A 171 ILE HG21 . 19045 1 1765 . 1 1 154 154 ILE HG22 H 1 0.001 0.020 . 1 . . . A 171 ILE HG22 . 19045 1 1766 . 1 1 154 154 ILE HG23 H 1 0.001 0.020 . 1 . . . A 171 ILE HG23 . 19045 1 1767 . 1 1 154 154 ILE HD11 H 1 -0.326 0.020 . 1 . . . A 171 ILE HD11 . 19045 1 1768 . 1 1 154 154 ILE HD12 H 1 -0.326 0.020 . 1 . . . A 171 ILE HD12 . 19045 1 1769 . 1 1 154 154 ILE HD13 H 1 -0.326 0.020 . 1 . . . A 171 ILE HD13 . 19045 1 1770 . 1 1 154 154 ILE CA C 13 65.347 0.3 . 1 . . . A 171 ILE CA . 19045 1 1771 . 1 1 154 154 ILE CB C 13 37.781 0.3 . 1 . . . A 171 ILE CB . 19045 1 1772 . 1 1 154 154 ILE CG1 C 13 27.936 0.3 . 1 . . . A 171 ILE CG1 . 19045 1 1773 . 1 1 154 154 ILE CG2 C 13 15.896 0.3 . 1 . . . A 171 ILE CG2 . 19045 1 1774 . 1 1 154 154 ILE CD1 C 13 13.431 0.3 . 1 . . . A 171 ILE CD1 . 19045 1 1775 . 1 1 154 154 ILE N N 15 117.994 0.3 . 1 . . . A 171 ILE N . 19045 1 1776 . 1 1 155 155 ALA H H 1 8.511 0.020 . 1 . . . A 172 ALA H . 19045 1 1777 . 1 1 155 155 ALA HA H 1 3.506 0.020 . 1 . . . A 172 ALA HA . 19045 1 1778 . 1 1 155 155 ALA HB1 H 1 1.232 0.020 . 1 . . . A 172 ALA HB1 . 19045 1 1779 . 1 1 155 155 ALA HB2 H 1 1.232 0.020 . 1 . . . A 172 ALA HB2 . 19045 1 1780 . 1 1 155 155 ALA HB3 H 1 1.232 0.020 . 1 . . . A 172 ALA HB3 . 19045 1 1781 . 1 1 155 155 ALA CA C 13 55.685 0.3 . 1 . . . A 172 ALA CA . 19045 1 1782 . 1 1 155 155 ALA CB C 13 17.050 0.3 . 1 . . . A 172 ALA CB . 19045 1 1783 . 1 1 155 155 ALA N N 15 123.588 0.3 . 1 . . . A 172 ALA N . 19045 1 1784 . 1 1 156 156 GLN H H 1 7.898 0.020 . 1 . . . A 173 GLN H . 19045 1 1785 . 1 1 156 156 GLN HA H 1 3.854 0.020 . 1 . . . A 173 GLN HA . 19045 1 1786 . 1 1 156 156 GLN HB2 H 1 1.923 0.020 . 2 . . . A 173 GLN HB2 . 19045 1 1787 . 1 1 156 156 GLN HB3 H 1 1.802 0.020 . 2 . . . A 173 GLN HB3 . 19045 1 1788 . 1 1 156 156 GLN HG2 H 1 2.254 0.020 . 1 . . . A 173 GLN HG2 . 19045 1 1789 . 1 1 156 156 GLN HG3 H 1 2.254 0.020 . 1 . . . A 173 GLN HG3 . 19045 1 1790 . 1 1 156 156 GLN HE21 H 1 6.690 0.020 . 1 . . . A 173 GLN HE21 . 19045 1 1791 . 1 1 156 156 GLN HE22 H 1 7.399 0.020 . 1 . . . A 173 GLN HE22 . 19045 1 1792 . 1 1 156 156 GLN CA C 13 57.904 0.3 . 1 . . . A 173 GLN CA . 19045 1 1793 . 1 1 156 156 GLN CB C 13 28.141 0.3 . 1 . . . A 173 GLN CB . 19045 1 1794 . 1 1 156 156 GLN CG C 13 33.820 0.3 . 1 . . . A 173 GLN CG . 19045 1 1795 . 1 1 156 156 GLN N N 15 117.382 0.3 . 1 . . . A 173 GLN N . 19045 1 1796 . 1 1 156 156 GLN NE2 N 15 110.843 0.3 . 1 . . . A 173 GLN NE2 . 19045 1 1797 . 1 1 157 157 ARG H H 1 6.984 0.020 . 1 . . . A 174 ARG H . 19045 1 1798 . 1 1 157 157 ARG HA H 1 4.097 0.020 . 1 . . . A 174 ARG HA . 19045 1 1799 . 1 1 157 157 ARG HB2 H 1 1.928 0.020 . 2 . . . A 174 ARG HB2 . 19045 1 1800 . 1 1 157 157 ARG HB3 H 1 1.295 0.020 . 2 . . . A 174 ARG HB3 . 19045 1 1801 . 1 1 157 157 ARG HG2 H 1 0.953 0.020 . 2 . . . A 174 ARG HG2 . 19045 1 1802 . 1 1 157 157 ARG HG3 H 1 0.651 0.020 . 2 . . . A 174 ARG HG3 . 19045 1 1803 . 1 1 157 157 ARG HD2 H 1 2.122 0.020 . 2 . . . A 174 ARG HD2 . 19045 1 1804 . 1 1 157 157 ARG HD3 H 1 1.456 0.020 . 2 . . . A 174 ARG HD3 . 19045 1 1805 . 1 1 157 157 ARG HE H 1 6.417 0.020 . 1 . . . A 174 ARG HE . 19045 1 1806 . 1 1 157 157 ARG CA C 13 55.395 0.3 . 1 . . . A 174 ARG CA . 19045 1 1807 . 1 1 157 157 ARG CB C 13 29.652 0.3 . 1 . . . A 174 ARG CB . 19045 1 1808 . 1 1 157 157 ARG CG C 13 26.116 0.3 . 1 . . . A 174 ARG CG . 19045 1 1809 . 1 1 157 157 ARG CD C 13 41.965 0.3 . 1 . . . A 174 ARG CD . 19045 1 1810 . 1 1 157 157 ARG N N 15 116.800 0.3 . 1 . . . A 174 ARG N . 19045 1 1811 . 1 1 158 158 GLY H H 1 7.418 0.020 . 1 . . . A 175 GLY H . 19045 1 1812 . 1 1 158 158 GLY HA2 H 1 4.433 0.020 . 2 . . . A 175 GLY HA2 . 19045 1 1813 . 1 1 158 158 GLY HA3 H 1 3.609 0.020 . 2 . . . A 175 GLY HA3 . 19045 1 1814 . 1 1 158 158 GLY CA C 13 44.340 0.3 . 1 . . . A 175 GLY CA . 19045 1 1815 . 1 1 158 158 GLY N N 15 104.194 0.3 . 1 . . . A 175 GLY N . 19045 1 1816 . 1 1 159 159 GLY H H 1 8.072 0.020 . 1 . . . A 176 GLY H . 19045 1 1817 . 1 1 159 159 GLY HA2 H 1 4.484 0.020 . 2 . . . A 176 GLY HA2 . 19045 1 1818 . 1 1 159 159 GLY HA3 H 1 3.107 0.020 . 2 . . . A 176 GLY HA3 . 19045 1 1819 . 1 1 159 159 GLY CA C 13 43.501 0.3 . 1 . . . A 176 GLY CA . 19045 1 1820 . 1 1 159 159 GLY N N 15 107.629 0.3 . 1 . . . A 176 GLY N . 19045 1 1821 . 1 1 160 160 TRP H H 1 8.218 0.020 . 1 . . . A 177 TRP H . 19045 1 1822 . 1 1 160 160 TRP HA H 1 4.476 0.020 . 1 . . . A 177 TRP HA . 19045 1 1823 . 1 1 160 160 TRP HB2 H 1 3.292 0.020 . 2 . . . A 177 TRP HB2 . 19045 1 1824 . 1 1 160 160 TRP HB3 H 1 3.000 0.020 . 2 . . . A 177 TRP HB3 . 19045 1 1825 . 1 1 160 160 TRP HD1 H 1 7.446 0.020 . 1 . . . A 177 TRP HD1 . 19045 1 1826 . 1 1 160 160 TRP HE1 H 1 9.854 0.020 . 1 . . . A 177 TRP HE1 . 19045 1 1827 . 1 1 160 160 TRP HE3 H 1 7.736 0.020 . 1 . . . A 177 TRP HE3 . 19045 1 1828 . 1 1 160 160 TRP HZ2 H 1 7.446 0.020 . 1 . . . A 177 TRP HZ2 . 19045 1 1829 . 1 1 160 160 TRP HZ3 H 1 6.960 0.020 . 1 . . . A 177 TRP HZ3 . 19045 1 1830 . 1 1 160 160 TRP HH2 H 1 6.799 0.020 . 1 . . . A 177 TRP HH2 . 19045 1 1831 . 1 1 160 160 TRP CA C 13 61.083 0.3 . 1 . . . A 177 TRP CA . 19045 1 1832 . 1 1 160 160 TRP CB C 13 30.927 0.3 . 1 . . . A 177 TRP CB . 19045 1 1833 . 1 1 160 160 TRP CD1 C 13 127.639 0.3 . 1 . . . A 177 TRP CD1 . 19045 1 1834 . 1 1 160 160 TRP CE3 C 13 120.972 0.3 . 1 . . . A 177 TRP CE3 . 19045 1 1835 . 1 1 160 160 TRP CZ2 C 13 114.820 0.3 . 1 . . . A 177 TRP CZ2 . 19045 1 1836 . 1 1 160 160 TRP CZ3 C 13 122.105 0.3 . 1 . . . A 177 TRP CZ3 . 19045 1 1837 . 1 1 160 160 TRP CH2 C 13 123.817 0.3 . 1 . . . A 177 TRP CH2 . 19045 1 1838 . 1 1 160 160 TRP N N 15 117.887 0.3 . 1 . . . A 177 TRP N . 19045 1 1839 . 1 1 160 160 TRP NE1 N 15 127.569 0.3 . 1 . . . A 177 TRP NE1 . 19045 1 1840 . 1 1 161 161 VAL H H 1 8.284 0.020 . 1 . . . A 178 VAL H . 19045 1 1841 . 1 1 161 161 VAL HA H 1 3.688 0.020 . 1 . . . A 178 VAL HA . 19045 1 1842 . 1 1 161 161 VAL HB H 1 2.077 0.020 . 1 . . . A 178 VAL HB . 19045 1 1843 . 1 1 161 161 VAL HG11 H 1 0.899 0.020 . 1 . . . A 178 VAL HG11 . 19045 1 1844 . 1 1 161 161 VAL HG12 H 1 0.899 0.020 . 1 . . . A 178 VAL HG12 . 19045 1 1845 . 1 1 161 161 VAL HG13 H 1 0.899 0.020 . 1 . . . A 178 VAL HG13 . 19045 1 1846 . 1 1 161 161 VAL HG21 H 1 0.862 0.020 . 1 . . . A 178 VAL HG21 . 19045 1 1847 . 1 1 161 161 VAL HG22 H 1 0.862 0.020 . 1 . . . A 178 VAL HG22 . 19045 1 1848 . 1 1 161 161 VAL HG23 H 1 0.862 0.020 . 1 . . . A 178 VAL HG23 . 19045 1 1849 . 1 1 161 161 VAL CA C 13 64.680 0.3 . 1 . . . A 178 VAL CA . 19045 1 1850 . 1 1 161 161 VAL CB C 13 31.057 0.3 . 1 . . . A 178 VAL CB . 19045 1 1851 . 1 1 161 161 VAL CG1 C 13 21.042 0.3 . 1 . . . A 178 VAL CG1 . 19045 1 1852 . 1 1 161 161 VAL CG2 C 13 20.603 0.3 . 1 . . . A 178 VAL CG2 . 19045 1 1853 . 1 1 161 161 VAL N N 15 112.929 0.3 . 1 . . . A 178 VAL N . 19045 1 1854 . 1 1 162 162 ALA H H 1 7.670 0.020 . 1 . . . A 179 ALA H . 19045 1 1855 . 1 1 162 162 ALA HA H 1 4.009 0.020 . 1 . . . A 179 ALA HA . 19045 1 1856 . 1 1 162 162 ALA HB1 H 1 1.539 0.020 . 1 . . . A 179 ALA HB1 . 19045 1 1857 . 1 1 162 162 ALA HB2 H 1 1.539 0.020 . 1 . . . A 179 ALA HB2 . 19045 1 1858 . 1 1 162 162 ALA HB3 H 1 1.539 0.020 . 1 . . . A 179 ALA HB3 . 19045 1 1859 . 1 1 162 162 ALA CA C 13 54.344 0.3 . 1 . . . A 179 ALA CA . 19045 1 1860 . 1 1 162 162 ALA CB C 13 18.555 0.3 . 1 . . . A 179 ALA CB . 19045 1 1861 . 1 1 162 162 ALA N N 15 125.101 0.3 . 1 . . . A 179 ALA N . 19045 1 1862 . 1 1 163 163 ALA H H 1 8.058 0.020 . 1 . . . A 180 ALA H . 19045 1 1863 . 1 1 163 163 ALA HA H 1 3.293 0.020 . 1 . . . A 180 ALA HA . 19045 1 1864 . 1 1 163 163 ALA HB1 H 1 1.158 0.020 . 1 . . . A 180 ALA HB1 . 19045 1 1865 . 1 1 163 163 ALA HB2 H 1 1.158 0.020 . 1 . . . A 180 ALA HB2 . 19045 1 1866 . 1 1 163 163 ALA HB3 H 1 1.158 0.020 . 1 . . . A 180 ALA HB3 . 19045 1 1867 . 1 1 163 163 ALA CA C 13 52.783 0.3 . 1 . . . A 180 ALA CA . 19045 1 1868 . 1 1 163 163 ALA CB C 13 18.113 0.3 . 1 . . . A 180 ALA CB . 19045 1 1869 . 1 1 163 163 ALA N N 15 119.081 0.3 . 1 . . . A 180 ALA N . 19045 1 1870 . 1 1 164 164 LEU H H 1 7.342 0.020 . 1 . . . A 181 LEU H . 19045 1 1871 . 1 1 164 164 LEU HA H 1 3.911 0.020 . 1 . . . A 181 LEU HA . 19045 1 1872 . 1 1 164 164 LEU HB2 H 1 1.682 0.020 . 2 . . . A 181 LEU HB2 . 19045 1 1873 . 1 1 164 164 LEU HB3 H 1 1.491 0.020 . 2 . . . A 181 LEU HB3 . 19045 1 1874 . 1 1 164 164 LEU HG H 1 1.518 0.020 . 1 . . . A 181 LEU HG . 19045 1 1875 . 1 1 164 164 LEU HD11 H 1 0.820 0.020 . 1 . . . A 181 LEU HD11 . 19045 1 1876 . 1 1 164 164 LEU HD12 H 1 0.820 0.020 . 1 . . . A 181 LEU HD12 . 19045 1 1877 . 1 1 164 164 LEU HD13 H 1 0.820 0.020 . 1 . . . A 181 LEU HD13 . 19045 1 1878 . 1 1 164 164 LEU HD21 H 1 0.657 0.020 . 1 . . . A 181 LEU HD21 . 19045 1 1879 . 1 1 164 164 LEU HD22 H 1 0.657 0.020 . 1 . . . A 181 LEU HD22 . 19045 1 1880 . 1 1 164 164 LEU HD23 H 1 0.657 0.020 . 1 . . . A 181 LEU HD23 . 19045 1 1881 . 1 1 164 164 LEU CA C 13 56.128 0.3 . 1 . . . A 181 LEU CA . 19045 1 1882 . 1 1 164 164 LEU CB C 13 40.955 0.3 . 1 . . . A 181 LEU CB . 19045 1 1883 . 1 1 164 164 LEU CG C 13 26.848 0.3 . 1 . . . A 181 LEU CG . 19045 1 1884 . 1 1 164 164 LEU CD1 C 13 24.633 0.3 . 1 . . . A 181 LEU CD1 . 19045 1 1885 . 1 1 164 164 LEU CD2 C 13 22.646 0.3 . 1 . . . A 181 LEU CD2 . 19045 1 1886 . 1 1 164 164 LEU N N 15 114.169 0.3 . 1 . . . A 181 LEU N . 19045 1 1887 . 1 1 165 165 ASN H H 1 7.289 0.020 . 1 . . . A 182 ASN H . 19045 1 1888 . 1 1 165 165 ASN HA H 1 4.743 0.020 . 1 . . . A 182 ASN HA . 19045 1 1889 . 1 1 165 165 ASN HB2 H 1 2.897 0.020 . 2 . . . A 182 ASN HB2 . 19045 1 1890 . 1 1 165 165 ASN HB3 H 1 2.479 0.020 . 2 . . . A 182 ASN HB3 . 19045 1 1891 . 1 1 165 165 ASN HD21 H 1 6.777 0.020 . 1 . . . A 182 ASN HD21 . 19045 1 1892 . 1 1 165 165 ASN HD22 H 1 7.426 0.020 . 1 . . . A 182 ASN HD22 . 19045 1 1893 . 1 1 165 165 ASN CA C 13 52.508 0.3 . 1 . . . A 182 ASN CA . 19045 1 1894 . 1 1 165 165 ASN CB C 13 39.091 0.3 . 1 . . . A 182 ASN CB . 19045 1 1895 . 1 1 165 165 ASN N N 15 115.061 0.3 . 1 . . . A 182 ASN N . 19045 1 1896 . 1 1 165 165 ASN ND2 N 15 112.339 0.3 . 1 . . . A 182 ASN ND2 . 19045 1 1897 . 1 1 166 166 LEU H H 1 7.148 0.020 . 1 . . . A 183 LEU H . 19045 1 1898 . 1 1 166 166 LEU HA H 1 4.125 0.020 . 1 . . . A 183 LEU HA . 19045 1 1899 . 1 1 166 166 LEU HB2 H 1 1.531 0.020 . 2 . . . A 183 LEU HB2 . 19045 1 1900 . 1 1 166 166 LEU HB3 H 1 1.179 0.020 . 2 . . . A 183 LEU HB3 . 19045 1 1901 . 1 1 166 166 LEU HG H 1 1.232 0.020 . 1 . . . A 183 LEU HG . 19045 1 1902 . 1 1 166 166 LEU HD11 H 1 0.345 0.020 . 1 . . . A 183 LEU HD11 . 19045 1 1903 . 1 1 166 166 LEU HD12 H 1 0.345 0.020 . 1 . . . A 183 LEU HD12 . 19045 1 1904 . 1 1 166 166 LEU HD13 H 1 0.345 0.020 . 1 . . . A 183 LEU HD13 . 19045 1 1905 . 1 1 166 166 LEU HD21 H 1 0.127 0.020 . 1 . . . A 183 LEU HD21 . 19045 1 1906 . 1 1 166 166 LEU HD22 H 1 0.127 0.020 . 1 . . . A 183 LEU HD22 . 19045 1 1907 . 1 1 166 166 LEU HD23 H 1 0.127 0.020 . 1 . . . A 183 LEU HD23 . 19045 1 1908 . 1 1 166 166 LEU CA C 13 55.201 0.3 . 1 . . . A 183 LEU CA . 19045 1 1909 . 1 1 166 166 LEU CB C 13 42.174 0.3 . 1 . . . A 183 LEU CB . 19045 1 1910 . 1 1 166 166 LEU CG C 13 26.241 0.3 . 1 . . . A 183 LEU CG . 19045 1 1911 . 1 1 166 166 LEU CD1 C 13 21.343 0.3 . 1 . . . A 183 LEU CD1 . 19045 1 1912 . 1 1 166 166 LEU CD2 C 13 24.133 0.3 . 1 . . . A 183 LEU CD2 . 19045 1 1913 . 1 1 166 166 LEU N N 15 119.889 0.3 . 1 . . . A 183 LEU N . 19045 1 1914 . 1 1 167 167 GLY H H 1 8.486 0.020 . 1 . . . A 184 GLY H . 19045 1 1915 . 1 1 167 167 GLY HA2 H 1 3.976 0.020 . 2 . . . A 184 GLY HA2 . 19045 1 1916 . 1 1 167 167 GLY HA3 H 1 3.807 0.020 . 2 . . . A 184 GLY HA3 . 19045 1 1917 . 1 1 167 167 GLY CA C 13 45.256 0.3 . 1 . . . A 184 GLY CA . 19045 1 1918 . 1 1 167 167 GLY N N 15 107.883 0.3 . 1 . . . A 184 GLY N . 19045 1 1919 . 1 1 168 168 ASN H H 1 8.074 0.020 . 1 . . . A 185 ASN H . 19045 1 1920 . 1 1 168 168 ASN HA H 1 4.755 0.020 . 1 . . . A 185 ASN HA . 19045 1 1921 . 1 1 168 168 ASN HB2 H 1 2.774 0.020 . 2 . . . A 185 ASN HB2 . 19045 1 1922 . 1 1 168 168 ASN HB3 H 1 2.636 0.020 . 2 . . . A 185 ASN HB3 . 19045 1 1923 . 1 1 168 168 ASN HD21 H 1 6.768 0.020 . 1 . . . A 185 ASN HD21 . 19045 1 1924 . 1 1 168 168 ASN HD22 H 1 7.364 0.020 . 1 . . . A 185 ASN HD22 . 19045 1 1925 . 1 1 168 168 ASN CA C 13 52.812 0.3 . 1 . . . A 185 ASN CA . 19045 1 1926 . 1 1 168 168 ASN CB C 13 39.297 0.3 . 1 . . . A 185 ASN CB . 19045 1 1927 . 1 1 168 168 ASN N N 15 118.093 0.3 . 1 . . . A 185 ASN N . 19045 1 1928 . 1 1 169 169 GLY H H 1 7.984 0.020 . 1 . . . A 186 GLY H . 19045 1 1929 . 1 1 169 169 GLY HA2 H 1 3.688 0.020 . 1 . . . A 186 GLY HA2 . 19045 1 1930 . 1 1 169 169 GLY HA3 H 1 3.688 0.020 . 1 . . . A 186 GLY HA3 . 19045 1 1931 . 1 1 169 169 GLY CA C 13 46.053 0.3 . 1 . . . A 186 GLY CA . 19045 1 1932 . 1 1 169 169 GLY N N 15 115.282 0.3 . 1 . . . A 186 GLY N . 19045 1 1933 . 2 2 1 1 GLU H H 1 8.376 0.020 . 1 . . . . 280 GLU H . 19045 1 1934 . 2 2 1 1 GLU HA H 1 3.945 0.020 . 1 . . . . 280 GLU HA . 19045 1 1935 . 2 2 1 1 GLU HB2 H 1 1.928 0.020 . 2 . . . . 280 GLU HB2 . 19045 1 1936 . 2 2 1 1 GLU HB3 H 1 1.876 0.020 . 2 . . . . 280 GLU HB3 . 19045 1 1937 . 2 2 1 1 GLU HG2 H 1 2.204 0.020 . 1 . . . . 280 GLU HG2 . 19045 1 1938 . 2 2 1 1 GLU HG3 H 1 2.204 0.020 . 1 . . . . 280 GLU HG3 . 19045 1 1939 . 2 2 2 2 ASP H H 1 8.569 0.020 . 1 . . . . 281 ASP H . 19045 1 1940 . 2 2 2 2 ASP HA H 1 4.332 0.020 . 1 . . . . 281 ASP HA . 19045 1 1941 . 2 2 2 2 ASP HB2 H 1 2.629 0.020 . 2 . . . . 281 ASP HB2 . 19045 1 1942 . 2 2 2 2 ASP HB3 H 1 2.495 0.020 . 2 . . . . 281 ASP HB3 . 19045 1 1943 . 2 2 3 3 ILE H H 1 7.720 0.020 . 1 . . . . 282 ILE H . 19045 1 1944 . 2 2 3 3 ILE HA H 1 3.817 0.020 . 1 . . . . 282 ILE HA . 19045 1 1945 . 2 2 3 3 ILE HB H 1 1.763 0.020 . 1 . . . . 282 ILE HB . 19045 1 1946 . 2 2 3 3 ILE HG12 H 1 1.355 0.020 . 2 . . . . 282 ILE HG12 . 19045 1 1947 . 2 2 3 3 ILE HG13 H 1 1.069 0.020 . 2 . . . . 282 ILE HG13 . 19045 1 1948 . 2 2 3 3 ILE HG21 H 1 0.816 0.020 . 1 . . . . 282 ILE HG2 . 19045 1 1949 . 2 2 3 3 ILE HG22 H 1 0.816 0.020 . 1 . . . . 282 ILE HG2 . 19045 1 1950 . 2 2 3 3 ILE HG23 H 1 0.816 0.020 . 1 . . . . 282 ILE HG2 . 19045 1 1951 . 2 2 3 3 ILE HD11 H 1 0.774 0.020 . 1 . . . . 282 ILE HD1 . 19045 1 1952 . 2 2 3 3 ILE HD12 H 1 0.774 0.020 . 1 . . . . 282 ILE HD1 . 19045 1 1953 . 2 2 3 3 ILE HD13 H 1 0.774 0.020 . 1 . . . . 282 ILE HD1 . 19045 1 1954 . 2 2 4 4 ILE H H 1 7.624 0.020 . 1 . . . . 283 ILE H . 19045 1 1955 . 2 2 4 4 ILE HA H 1 3.254 0.020 . 1 . . . . 283 ILE HA . 19045 1 1956 . 2 2 4 4 ILE HB H 1 1.908 0.020 . 1 . . . . 283 ILE HB . 19045 1 1957 . 2 2 4 4 ILE HG12 H 1 1.417 0.020 . 2 . . . . 283 ILE HG12 . 19045 1 1958 . 2 2 4 4 ILE HG13 H 1 0.833 0.020 . 2 . . . . 283 ILE HG13 . 19045 1 1959 . 2 2 4 4 ILE HG21 H 1 0.648 0.020 . 1 . . . . 283 ILE HG2 . 19045 1 1960 . 2 2 4 4 ILE HG22 H 1 0.648 0.020 . 1 . . . . 283 ILE HG2 . 19045 1 1961 . 2 2 4 4 ILE HG23 H 1 0.648 0.020 . 1 . . . . 283 ILE HG2 . 19045 1 1962 . 2 2 4 4 ILE HD11 H 1 0.630 0.020 . 1 . . . . 283 ILE HD1 . 19045 1 1963 . 2 2 4 4 ILE HD12 H 1 0.630 0.020 . 1 . . . . 283 ILE HD1 . 19045 1 1964 . 2 2 4 4 ILE HD13 H 1 0.630 0.020 . 1 . . . . 283 ILE HD1 . 19045 1 1965 . 2 2 5 5 ARG H H 1 7.556 0.020 . 1 . . . . 284 ARG H . 19045 1 1966 . 2 2 5 5 ARG HA H 1 3.842 0.020 . 1 . . . . 284 ARG HA . 19045 1 1967 . 2 2 5 5 ARG HB2 H 1 1.781 0.020 . 1 . . . . 284 ARG HB2 . 19045 1 1968 . 2 2 5 5 ARG HB3 H 1 1.781 0.020 . 1 . . . . 284 ARG HB3 . 19045 1 1969 . 2 2 5 5 ARG HG2 H 1 1.693 0.020 . 2 . . . . 284 ARG HG2 . 19045 1 1970 . 2 2 5 5 ARG HG3 H 1 1.481 0.020 . 2 . . . . 284 ARG HG3 . 19045 1 1971 . 2 2 5 5 ARG HD2 H 1 3.112 0.020 . 1 . . . . 284 ARG HD2 . 19045 1 1972 . 2 2 5 5 ARG HD3 H 1 3.112 0.020 . 1 . . . . 284 ARG HD3 . 19045 1 1973 . 2 2 5 5 ARG HE H 1 7.222 0.020 . 1 . . . . 284 ARG HE . 19045 1 1974 . 2 2 6 6 ASN H H 1 8.081 0.020 . 1 . . . . 285 ASN H . 19045 1 1975 . 2 2 6 6 ASN HA H 1 4.375 0.020 . 1 . . . . 285 ASN HA . 19045 1 1976 . 2 2 6 6 ASN HB2 H 1 2.859 0.020 . 2 . . . . 285 ASN HB2 . 19045 1 1977 . 2 2 6 6 ASN HB3 H 1 2.794 0.020 . 2 . . . . 285 ASN HB3 . 19045 1 1978 . 2 2 6 6 ASN HD21 H 1 7.340 0.020 . 1 . . . . 285 ASN HD21 . 19045 1 1979 . 2 2 6 6 ASN HD22 H 1 6.868 0.020 . 1 . . . . 285 ASN HD22 . 19045 1 1980 . 2 2 7 7 ILE H H 1 8.551 0.020 . 1 . . . . 286 ILE H . 19045 1 1981 . 2 2 7 7 ILE HA H 1 3.668 0.020 . 1 . . . . 286 ILE HA . 19045 1 1982 . 2 2 7 7 ILE HB H 1 1.653 0.020 . 1 . . . . 286 ILE HB . 19045 1 1983 . 2 2 7 7 ILE HG12 H 1 0.819 0.020 . 2 . . . . 286 ILE HG12 . 19045 1 1984 . 2 2 7 7 ILE HG13 H 1 0.703 0.020 . 2 . . . . 286 ILE HG13 . 19045 1 1985 . 2 2 7 7 ILE HG21 H 1 0.647 0.020 . 1 . . . . 286 ILE HG2 . 19045 1 1986 . 2 2 7 7 ILE HG22 H 1 0.647 0.020 . 1 . . . . 286 ILE HG2 . 19045 1 1987 . 2 2 7 7 ILE HG23 H 1 0.647 0.020 . 1 . . . . 286 ILE HG2 . 19045 1 1988 . 2 2 7 7 ILE HD11 H 1 0.577 0.020 . 1 . . . . 286 ILE HD1 . 19045 1 1989 . 2 2 7 7 ILE HD12 H 1 0.577 0.020 . 1 . . . . 286 ILE HD1 . 19045 1 1990 . 2 2 7 7 ILE HD13 H 1 0.577 0.020 . 1 . . . . 286 ILE HD1 . 19045 1 1991 . 2 2 8 8 ALA H H 1 8.215 0.020 . 1 . . . . 287 ALA H . 19045 1 1992 . 2 2 8 8 ALA HA H 1 3.568 0.020 . 1 . . . . 287 ALA HA . 19045 1 1993 . 2 2 8 8 ALA HB1 H 1 1.287 0.020 . 1 . . . . 287 ALA HB . 19045 1 1994 . 2 2 8 8 ALA HB2 H 1 1.287 0.020 . 1 . . . . 287 ALA HB . 19045 1 1995 . 2 2 8 8 ALA HB3 H 1 1.287 0.020 . 1 . . . . 287 ALA HB . 19045 1 1996 . 2 2 9 9 ARG H H 1 8.190 0.020 . 1 . . . . 288 ARG H . 19045 1 1997 . 2 2 9 9 ARG HA H 1 3.880 0.020 . 1 . . . . 288 ARG HA . 19045 1 1998 . 2 2 9 9 ARG HB2 H 1 1.855 0.020 . 2 . . . . 288 ARG HB2 . 19045 1 1999 . 2 2 9 9 ARG HB3 H 1 1.731 0.020 . 2 . . . . 288 ARG HB3 . 19045 1 2000 . 2 2 9 9 ARG HG2 H 1 1.575 0.020 . 1 . . . . 288 ARG HG2 . 19045 1 2001 . 2 2 9 9 ARG HG3 H 1 1.575 0.020 . 1 . . . . 288 ARG HG3 . 19045 1 2002 . 2 2 9 9 ARG HD2 H 1 3.122 0.020 . 1 . . . . 288 ARG HD2 . 19045 1 2003 . 2 2 9 9 ARG HD3 H 1 3.122 0.020 . 1 . . . . 288 ARG HD3 . 19045 1 2004 . 2 2 9 9 ARG HE H 1 7.212 0.020 . 1 . . . . 288 ARG HE . 19045 1 2005 . 2 2 10 10 HIS H H 1 7.682 0.020 . 1 . . . . 289 HIS H . 19045 1 2006 . 2 2 10 10 HIS HA H 1 4.162 0.020 . 1 . . . . 289 HIS HA . 19045 1 2007 . 2 2 10 10 HIS HB2 H 1 3.136 0.020 . 2 . . . . 289 HIS HB2 . 19045 1 2008 . 2 2 10 10 HIS HB3 H 1 2.940 0.020 . 2 . . . . 289 HIS HB3 . 19045 1 2009 . 2 2 11 11 LEU H H 1 8.423 0.020 . 1 . . . . 290 LEU H . 19045 1 2010 . 2 2 11 11 LEU HA H 1 3.679 0.020 . 1 . . . . 290 LEU HA . 19045 1 2011 . 2 2 11 11 LEU HB2 H 1 1.511 0.020 . 2 . . . . 290 LEU HB2 . 19045 1 2012 . 2 2 11 11 LEU HB3 H 1 1.039 0.020 . 2 . . . . 290 LEU HB3 . 19045 1 2013 . 2 2 11 11 LEU HG H 1 0.660 0.020 . 1 . . . . 290 LEU HG . 19045 1 2014 . 2 2 11 11 LEU HD11 H 1 0.359 0.020 . 1 . . . . 290 LEU HD1 . 19045 1 2015 . 2 2 11 11 LEU HD12 H 1 0.359 0.020 . 1 . . . . 290 LEU HD1 . 19045 1 2016 . 2 2 11 11 LEU HD13 H 1 0.359 0.020 . 1 . . . . 290 LEU HD1 . 19045 1 2017 . 2 2 11 11 LEU HD21 H 1 0.137 0.020 . 1 . . . . 290 LEU HD2 . 19045 1 2018 . 2 2 11 11 LEU HD22 H 1 0.137 0.020 . 1 . . . . 290 LEU HD2 . 19045 1 2019 . 2 2 11 11 LEU HD23 H 1 0.137 0.020 . 1 . . . . 290 LEU HD2 . 19045 1 2020 . 2 2 12 12 ALA H H 1 7.829 0.020 . 1 . . . . 291 ALA H . 19045 1 2021 . 2 2 12 12 ALA HA H 1 3.360 0.020 . 1 . . . . 291 ALA HA . 19045 1 2022 . 2 2 12 12 ALA HB1 H 1 1.169 0.020 . 1 . . . . 291 ALA HB . 19045 1 2023 . 2 2 12 12 ALA HB2 H 1 1.169 0.020 . 1 . . . . 291 ALA HB . 19045 1 2024 . 2 2 12 12 ALA HB3 H 1 1.169 0.020 . 1 . . . . 291 ALA HB . 19045 1 2025 . 2 2 13 13 MK8 H H 1 7.410 0.020 . 1 . . . . 292 MK8 H . 19045 1 2026 . 2 2 13 13 MK8 HB H 1 1.382 0.020 . 1 . . . . 292 MK8 HB . 19045 1 2027 . 2 2 13 13 MK8 HB2 H 1 2.044 0.020 . 2 . . . . 292 MK8 HB2 . 19045 1 2028 . 2 2 13 13 MK8 HB3 H 1 1.671 0.020 . 2 . . . . 292 MK8 HB3 . 19045 1 2029 . 2 2 13 13 MK8 HD2 H 1 1.550 0.020 . 1 . . . . 292 MK8 HD2 . 19045 1 2030 . 2 2 13 13 MK8 HD3 H 1 1.550 0.020 . 1 . . . . 292 MK8 HD3 . 19045 1 2031 . 2 2 13 13 MK8 HE H 1 5.126 0.020 . 1 . . . . 292 MK8 HE . 19045 1 2032 . 2 2 13 13 MK8 HG2 H 1 0.910 0.020 . 1 . . . . 292 MK8 HG2 . 19045 1 2033 . 2 2 13 13 MK8 HG3 H 1 0.910 0.020 . 1 . . . . 292 MK8 HG3 . 19045 1 2034 . 2 2 14 14 VAL H H 1 8.206 0.020 . 1 . . . . 293 VAL H . 19045 1 2035 . 2 2 14 14 VAL HA H 1 3.313 0.020 . 1 . . . . 293 VAL HA . 19045 1 2036 . 2 2 14 14 VAL HB H 1 1.855 0.020 . 1 . . . . 293 VAL HB . 19045 1 2037 . 2 2 14 14 VAL HG11 H 1 0.712 0.020 . 1 . . . . 293 VAL HG1 . 19045 1 2038 . 2 2 14 14 VAL HG12 H 1 0.712 0.020 . 1 . . . . 293 VAL HG1 . 19045 1 2039 . 2 2 14 14 VAL HG13 H 1 0.712 0.020 . 1 . . . . 293 VAL HG1 . 19045 1 2040 . 2 2 14 14 VAL HG21 H 1 0.475 0.020 . 1 . . . . 293 VAL HG2 . 19045 1 2041 . 2 2 14 14 VAL HG22 H 1 0.475 0.020 . 1 . . . . 293 VAL HG2 . 19045 1 2042 . 2 2 14 14 VAL HG23 H 1 0.475 0.020 . 1 . . . . 293 VAL HG2 . 19045 1 2043 . 2 2 15 15 GLY H H 1 8.511 0.020 . 1 . . . . 294 GLY H . 19045 1 2044 . 2 2 15 15 GLY HA2 H 1 3.108 0.020 . 1 . . . . 294 GLY HA2 . 19045 1 2045 . 2 2 15 15 GLY HA3 H 1 3.108 0.020 . 1 . . . . 294 GLY HA3 . 19045 1 2046 . 2 2 16 16 ASP H H 1 8.307 0.020 . 1 . . . . 295 ASP H . 19045 1 2047 . 2 2 16 16 ASP HA H 1 4.391 0.020 . 1 . . . . 295 ASP HA . 19045 1 2048 . 2 2 16 16 ASP HB2 H 1 2.754 0.020 . 2 . . . . 295 ASP HB2 . 19045 1 2049 . 2 2 16 16 ASP HB3 H 1 2.483 0.020 . 2 . . . . 295 ASP HB3 . 19045 1 2050 . 2 2 17 17 MK8 H H 1 8.764 0.020 . 1 . . . . 296 MK8 H . 19045 1 2051 . 2 2 17 17 MK8 HB H 1 1.429 0.020 . 1 . . . . 296 MK8 HB . 19045 1 2052 . 2 2 17 17 MK8 HB2 H 1 2.159 0.020 . 1 . . . . 296 MK8 HB2 . 19045 1 2053 . 2 2 17 17 MK8 HB3 H 1 2.159 0.020 . 1 . . . . 296 MK8 HB3 . 19045 1 2054 . 2 2 17 17 MK8 HD2 H 1 1.631 0.020 . 1 . . . . 296 MK8 HD2 . 19045 1 2055 . 2 2 17 17 MK8 HD3 H 1 1.631 0.020 . 1 . . . . 296 MK8 HD3 . 19045 1 2056 . 2 2 17 17 MK8 HE H 1 5.364 0.020 . 1 . . . . 296 MK8 HE . 19045 1 2057 . 2 2 17 17 MK8 HG2 H 1 1.336 0.020 . 1 . . . . 296 MK8 HG2 . 19045 1 2058 . 2 2 17 17 MK8 HG3 H 1 1.336 0.020 . 1 . . . . 296 MK8 HG3 . 19045 1 2059 . 2 2 18 18 NLE H H 1 8.875 0.020 . 1 . . . . 297 NLE H . 19045 1 2060 . 2 2 18 18 NLE HA H 1 3.820 0.020 . 1 . . . . 297 NLE HA . 19045 1 2061 . 2 2 18 18 NLE HB2 H 1 2.143 0.020 . 1 . . . . 297 NLE HB2 . 19045 1 2062 . 2 2 18 18 NLE HB3 H 1 2.143 0.020 . 1 . . . . 297 NLE HB3 . 19045 1 2063 . 2 2 18 18 NLE HD2 H 1 1.333 0.020 . 1 . . . . 297 NLE HD2 . 19045 1 2064 . 2 2 18 18 NLE HD3 H 1 1.333 0.020 . 1 . . . . 297 NLE HD3 . 19045 1 2065 . 2 2 18 18 NLE HE1 H 1 0.899 0.020 . 1 . . . . 297 NLE HE1 . 19045 1 2066 . 2 2 18 18 NLE HG2 H 1 1.634 0.020 . 1 . . . . 297 NLE HG2 . 19045 1 2067 . 2 2 18 18 NLE HG3 H 1 1.634 0.020 . 1 . . . . 297 NLE HG3 . 19045 1 2068 . 2 2 19 19 ASP H H 1 8.792 0.020 . 1 . . . . 298 ASP H . 19045 1 2069 . 2 2 19 19 ASP HA H 1 4.298 0.020 . 1 . . . . 298 ASP HA . 19045 1 2070 . 2 2 19 19 ASP HB2 H 1 2.970 0.020 . 2 . . . . 298 ASP HB2 . 19045 1 2071 . 2 2 19 19 ASP HB3 H 1 2.743 0.020 . 2 . . . . 298 ASP HB3 . 19045 1 2072 . 2 2 20 20 ARG H H 1 7.690 0.020 . 1 . . . . 299 ARG H . 19045 1 2073 . 2 2 20 20 ARG HA H 1 4.183 0.020 . 1 . . . . 299 ARG HA . 19045 1 2074 . 2 2 20 20 ARG HB2 H 1 2.010 0.020 . 2 . . . . 299 ARG HB2 . 19045 1 2075 . 2 2 20 20 ARG HB3 H 1 1.979 0.020 . 2 . . . . 299 ARG HB3 . 19045 1 2076 . 2 2 20 20 ARG HG2 H 1 1.831 0.020 . 2 . . . . 299 ARG HG2 . 19045 1 2077 . 2 2 20 20 ARG HG3 H 1 1.742 0.020 . 2 . . . . 299 ARG HG3 . 19045 1 2078 . 2 2 20 20 ARG HD2 H 1 3.209 0.020 . 1 . . . . 299 ARG HD2 . 19045 1 2079 . 2 2 20 20 ARG HD3 H 1 3.209 0.020 . 1 . . . . 299 ARG HD3 . 19045 1 2080 . 2 2 20 20 ARG HE H 1 7.280 0.020 . 1 . . . . 299 ARG HE . 19045 1 2081 . 2 2 21 21 SER H H 1 7.687 0.020 . 1 . . . . 300 SER H . 19045 1 2082 . 2 2 21 21 SER HA H 1 4.419 0.020 . 1 . . . . 300 SER HA . 19045 1 2083 . 2 2 21 21 SER HB2 H 1 4.081 0.020 . 1 . . . . 300 SER HB2 . 19045 1 2084 . 2 2 21 21 SER HB3 H 1 4.081 0.020 . 1 . . . . 300 SER HB3 . 19045 1 2085 . 2 2 22 22 ILE H H 1 7.769 0.020 . 1 . . . . 301 ILE H . 19045 1 2086 . 2 2 22 22 ILE HA H 1 4.145 0.020 . 1 . . . . 301 ILE HA . 19045 1 2087 . 2 2 22 22 ILE HB H 1 2.013 0.020 . 1 . . . . 301 ILE HB . 19045 1 2088 . 2 2 22 22 ILE HG12 H 1 1.684 0.020 . 2 . . . . 301 ILE HG12 . 19045 1 2089 . 2 2 22 22 ILE HG13 H 1 1.340 0.020 . 2 . . . . 301 ILE HG13 . 19045 1 2090 . 2 2 22 22 ILE HG21 H 1 0.918 0.020 . 1 . . . . 301 ILE HG2 . 19045 1 2091 . 2 2 22 22 ILE HG22 H 1 0.918 0.020 . 1 . . . . 301 ILE HG2 . 19045 1 2092 . 2 2 22 22 ILE HG23 H 1 0.918 0.020 . 1 . . . . 301 ILE HG2 . 19045 1 2093 . 2 2 22 22 ILE HD11 H 1 0.838 0.020 . 1 . . . . 301 ILE HD1 . 19045 1 2094 . 2 2 22 22 ILE HD12 H 1 0.838 0.020 . 1 . . . . 301 ILE HD1 . 19045 1 2095 . 2 2 22 22 ILE HD13 H 1 0.838 0.020 . 1 . . . . 301 ILE HD1 . 19045 1 stop_ save_