data_19945 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19945 _Entry.Title ; holo FldA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-27 _Entry.Accession_date 2014-04-27 _Entry.Last_release_date 2015-05-18 _Entry.Original_release_date 2015-05-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Changwen Jin . . . 19945 2 Yunfei Hu . . . 19945 3 Qian Ye . . . 19945 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' . 19945 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha/beta/alpha sandwich fold' . 19945 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19945 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 739 19945 '15N chemical shifts' 184 19945 '1H chemical shifts' 1125 19945 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-05-18 . original BMRB . 19945 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MOK 'BMRB Entry Tracking System' 19945 stop_ save_ ############### # Citations # ############### save_holo_FldA _Citation.Sf_category citations _Citation.Sf_framecode holo_FldA _Citation.Entry_ID 19945 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR study of YqcA from Escherichia coli ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Changwen Jin . . . 19945 1 2 Yunfei Hu . . . 19945 1 3 Qian Ye . . . 19945 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19945 _Assembly.ID 1 _Assembly.Name 'FldA in complex with flavin' _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 entity_1 1 $entity_1 A . yes native no no . . . 19945 1 2 'FLAVIN MONONUCLEOTIDE' 2 $entity_FMN B . yes native no no . . . 19945 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19945 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAITGIFFGSDTGNTENIAK MIQKQLGKDVADVHDIAKSS KEDLEAYDILLLGIPTWYYG EAQCDWDDFFPTLEEIDFNG KLVALFGCGDQEDYAEYFCD ALGTIRDIIEPRGATIVGHW PTAGYHFEASKGLADDDHFV GLAIDEDRQPELTAERVEKW VKQISEELHLDEILNA ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19755.035 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25015 . entity . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 2 no PDB 1AG9 . "Flavodoxins That Are Required For Enzyme Activation: The Structure Of Oxidized Flavodoxin From Escherichia Coli At 1.8 Angstrom" . . . . . 99.43 175 100.00 100.00 1.65e-123 . . . . 19945 1 3 no PDB 1AHN . "E. Coli Flavodoxin At 2.6 Angstroms Resolution" . . . . . 99.43 175 100.00 100.00 1.65e-123 . . . . 19945 1 4 no PDB 2MOK . Holo_flda . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 5 no DBJ BAA35333 . "flavodoxin 1 [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 6 no DBJ BAB34138 . "flavodoxin 1 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 7 no DBJ BAG76270 . "flavodoxin [Escherichia coli SE11]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 8 no DBJ BAI24076 . "flavodoxin 1 [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 9 no DBJ BAI29544 . "flavodoxin 1 [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 10 no EMBL CAD05157 . "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 176 97.16 98.30 3.95e-121 . . . . 19945 1 11 no EMBL CAP75173 . "Flavodoxin-1 [Escherichia coli LF82]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 12 no EMBL CAQ31149 . "flavodoxin 1 [Escherichia coli BL21(DE3)]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 13 no EMBL CAQ89923 . "flavodoxin 1 [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 14 no EMBL CAQ97531 . "flavodoxin 1 [Escherichia coli IAI1]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 15 no GB AAA23789 . "flavodoxin [Escherichia coli]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 16 no GB AAC73778 . "flavodoxin 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 17 no GB AAG55007 . "flavodoxin 1 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 18 no GB AAL19638 . "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 176 97.73 98.86 2.84e-122 . . . . 19945 1 19 no GB AAN79244 . "Flavodoxin 1 [Escherichia coli CFT073]" . . . . . 100.00 215 100.00 100.00 2.22e-123 . . . . 19945 1 20 no PIR AC0586 . "flavodoxin 1 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 176 97.16 98.30 3.95e-121 . . . . 19945 1 21 no REF NP_308742 . "flavodoxin FldA [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 22 no REF NP_415210 . "flavodoxin 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 23 no REF NP_455255 . "flavodoxin 1 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 176 97.16 98.30 3.95e-121 . . . . 19945 1 24 no REF NP_459679 . "flavodoxin [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 176 97.73 98.86 2.84e-122 . . . . 19945 1 25 no REF WP_000321745 . "flavodoxin FldA, partial [Escherichia coli]" . . . . . 81.82 144 100.00 100.00 1.28e-99 . . . . 19945 1 26 no SP P61949 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 27 no SP P61950 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 28 no SP P61951 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 100.00 100.00 1.90e-124 . . . . 19945 1 29 no SP Q8ZQX1 . "RecName: Full=Flavodoxin-1" . . . . . 100.00 176 97.73 98.86 2.84e-122 . . . . 19945 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19945 1 2 2 ALA . 19945 1 3 3 ILE . 19945 1 4 4 THR . 19945 1 5 5 GLY . 19945 1 6 6 ILE . 19945 1 7 7 PHE . 19945 1 8 8 PHE . 19945 1 9 9 GLY . 19945 1 10 10 SER . 19945 1 11 11 ASP . 19945 1 12 12 THR . 19945 1 13 13 GLY . 19945 1 14 14 ASN . 19945 1 15 15 THR . 19945 1 16 16 GLU . 19945 1 17 17 ASN . 19945 1 18 18 ILE . 19945 1 19 19 ALA . 19945 1 20 20 LYS . 19945 1 21 21 MET . 19945 1 22 22 ILE . 19945 1 23 23 GLN . 19945 1 24 24 LYS . 19945 1 25 25 GLN . 19945 1 26 26 LEU . 19945 1 27 27 GLY . 19945 1 28 28 LYS . 19945 1 29 29 ASP . 19945 1 30 30 VAL . 19945 1 31 31 ALA . 19945 1 32 32 ASP . 19945 1 33 33 VAL . 19945 1 34 34 HIS . 19945 1 35 35 ASP . 19945 1 36 36 ILE . 19945 1 37 37 ALA . 19945 1 38 38 LYS . 19945 1 39 39 SER . 19945 1 40 40 SER . 19945 1 41 41 LYS . 19945 1 42 42 GLU . 19945 1 43 43 ASP . 19945 1 44 44 LEU . 19945 1 45 45 GLU . 19945 1 46 46 ALA . 19945 1 47 47 TYR . 19945 1 48 48 ASP . 19945 1 49 49 ILE . 19945 1 50 50 LEU . 19945 1 51 51 LEU . 19945 1 52 52 LEU . 19945 1 53 53 GLY . 19945 1 54 54 ILE . 19945 1 55 55 PRO . 19945 1 56 56 THR . 19945 1 57 57 TRP . 19945 1 58 58 TYR . 19945 1 59 59 TYR . 19945 1 60 60 GLY . 19945 1 61 61 GLU . 19945 1 62 62 ALA . 19945 1 63 63 GLN . 19945 1 64 64 CYS . 19945 1 65 65 ASP . 19945 1 66 66 TRP . 19945 1 67 67 ASP . 19945 1 68 68 ASP . 19945 1 69 69 PHE . 19945 1 70 70 PHE . 19945 1 71 71 PRO . 19945 1 72 72 THR . 19945 1 73 73 LEU . 19945 1 74 74 GLU . 19945 1 75 75 GLU . 19945 1 76 76 ILE . 19945 1 77 77 ASP . 19945 1 78 78 PHE . 19945 1 79 79 ASN . 19945 1 80 80 GLY . 19945 1 81 81 LYS . 19945 1 82 82 LEU . 19945 1 83 83 VAL . 19945 1 84 84 ALA . 19945 1 85 85 LEU . 19945 1 86 86 PHE . 19945 1 87 87 GLY . 19945 1 88 88 CYS . 19945 1 89 89 GLY . 19945 1 90 90 ASP . 19945 1 91 91 GLN . 19945 1 92 92 GLU . 19945 1 93 93 ASP . 19945 1 94 94 TYR . 19945 1 95 95 ALA . 19945 1 96 96 GLU . 19945 1 97 97 TYR . 19945 1 98 98 PHE . 19945 1 99 99 CYS . 19945 1 100 100 ASP . 19945 1 101 101 ALA . 19945 1 102 102 LEU . 19945 1 103 103 GLY . 19945 1 104 104 THR . 19945 1 105 105 ILE . 19945 1 106 106 ARG . 19945 1 107 107 ASP . 19945 1 108 108 ILE . 19945 1 109 109 ILE . 19945 1 110 110 GLU . 19945 1 111 111 PRO . 19945 1 112 112 ARG . 19945 1 113 113 GLY . 19945 1 114 114 ALA . 19945 1 115 115 THR . 19945 1 116 116 ILE . 19945 1 117 117 VAL . 19945 1 118 118 GLY . 19945 1 119 119 HIS . 19945 1 120 120 TRP . 19945 1 121 121 PRO . 19945 1 122 122 THR . 19945 1 123 123 ALA . 19945 1 124 124 GLY . 19945 1 125 125 TYR . 19945 1 126 126 HIS . 19945 1 127 127 PHE . 19945 1 128 128 GLU . 19945 1 129 129 ALA . 19945 1 130 130 SER . 19945 1 131 131 LYS . 19945 1 132 132 GLY . 19945 1 133 133 LEU . 19945 1 134 134 ALA . 19945 1 135 135 ASP . 19945 1 136 136 ASP . 19945 1 137 137 ASP . 19945 1 138 138 HIS . 19945 1 139 139 PHE . 19945 1 140 140 VAL . 19945 1 141 141 GLY . 19945 1 142 142 LEU . 19945 1 143 143 ALA . 19945 1 144 144 ILE . 19945 1 145 145 ASP . 19945 1 146 146 GLU . 19945 1 147 147 ASP . 19945 1 148 148 ARG . 19945 1 149 149 GLN . 19945 1 150 150 PRO . 19945 1 151 151 GLU . 19945 1 152 152 LEU . 19945 1 153 153 THR . 19945 1 154 154 ALA . 19945 1 155 155 GLU . 19945 1 156 156 ARG . 19945 1 157 157 VAL . 19945 1 158 158 GLU . 19945 1 159 159 LYS . 19945 1 160 160 TRP . 19945 1 161 161 VAL . 19945 1 162 162 LYS . 19945 1 163 163 GLN . 19945 1 164 164 ILE . 19945 1 165 165 SER . 19945 1 166 166 GLU . 19945 1 167 167 GLU . 19945 1 168 168 LEU . 19945 1 169 169 HIS . 19945 1 170 170 LEU . 19945 1 171 171 ASP . 19945 1 172 172 GLU . 19945 1 173 173 ILE . 19945 1 174 174 LEU . 19945 1 175 175 ASN . 19945 1 176 176 ALA . 19945 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19945 1 . ALA 2 2 19945 1 . ILE 3 3 19945 1 . THR 4 4 19945 1 . GLY 5 5 19945 1 . ILE 6 6 19945 1 . PHE 7 7 19945 1 . PHE 8 8 19945 1 . GLY 9 9 19945 1 . SER 10 10 19945 1 . ASP 11 11 19945 1 . THR 12 12 19945 1 . GLY 13 13 19945 1 . ASN 14 14 19945 1 . THR 15 15 19945 1 . GLU 16 16 19945 1 . ASN 17 17 19945 1 . ILE 18 18 19945 1 . ALA 19 19 19945 1 . LYS 20 20 19945 1 . MET 21 21 19945 1 . ILE 22 22 19945 1 . GLN 23 23 19945 1 . LYS 24 24 19945 1 . GLN 25 25 19945 1 . LEU 26 26 19945 1 . GLY 27 27 19945 1 . LYS 28 28 19945 1 . ASP 29 29 19945 1 . VAL 30 30 19945 1 . ALA 31 31 19945 1 . ASP 32 32 19945 1 . VAL 33 33 19945 1 . HIS 34 34 19945 1 . ASP 35 35 19945 1 . ILE 36 36 19945 1 . ALA 37 37 19945 1 . LYS 38 38 19945 1 . SER 39 39 19945 1 . SER 40 40 19945 1 . LYS 41 41 19945 1 . GLU 42 42 19945 1 . ASP 43 43 19945 1 . LEU 44 44 19945 1 . GLU 45 45 19945 1 . ALA 46 46 19945 1 . TYR 47 47 19945 1 . ASP 48 48 19945 1 . ILE 49 49 19945 1 . LEU 50 50 19945 1 . LEU 51 51 19945 1 . LEU 52 52 19945 1 . GLY 53 53 19945 1 . ILE 54 54 19945 1 . PRO 55 55 19945 1 . THR 56 56 19945 1 . TRP 57 57 19945 1 . TYR 58 58 19945 1 . TYR 59 59 19945 1 . GLY 60 60 19945 1 . GLU 61 61 19945 1 . ALA 62 62 19945 1 . GLN 63 63 19945 1 . CYS 64 64 19945 1 . ASP 65 65 19945 1 . TRP 66 66 19945 1 . ASP 67 67 19945 1 . ASP 68 68 19945 1 . PHE 69 69 19945 1 . PHE 70 70 19945 1 . PRO 71 71 19945 1 . THR 72 72 19945 1 . LEU 73 73 19945 1 . GLU 74 74 19945 1 . GLU 75 75 19945 1 . ILE 76 76 19945 1 . ASP 77 77 19945 1 . PHE 78 78 19945 1 . ASN 79 79 19945 1 . GLY 80 80 19945 1 . LYS 81 81 19945 1 . LEU 82 82 19945 1 . VAL 83 83 19945 1 . ALA 84 84 19945 1 . LEU 85 85 19945 1 . PHE 86 86 19945 1 . GLY 87 87 19945 1 . CYS 88 88 19945 1 . GLY 89 89 19945 1 . ASP 90 90 19945 1 . GLN 91 91 19945 1 . GLU 92 92 19945 1 . ASP 93 93 19945 1 . TYR 94 94 19945 1 . ALA 95 95 19945 1 . GLU 96 96 19945 1 . TYR 97 97 19945 1 . PHE 98 98 19945 1 . CYS 99 99 19945 1 . ASP 100 100 19945 1 . ALA 101 101 19945 1 . LEU 102 102 19945 1 . GLY 103 103 19945 1 . THR 104 104 19945 1 . ILE 105 105 19945 1 . ARG 106 106 19945 1 . ASP 107 107 19945 1 . ILE 108 108 19945 1 . ILE 109 109 19945 1 . GLU 110 110 19945 1 . PRO 111 111 19945 1 . ARG 112 112 19945 1 . GLY 113 113 19945 1 . ALA 114 114 19945 1 . THR 115 115 19945 1 . ILE 116 116 19945 1 . VAL 117 117 19945 1 . GLY 118 118 19945 1 . HIS 119 119 19945 1 . TRP 120 120 19945 1 . PRO 121 121 19945 1 . THR 122 122 19945 1 . ALA 123 123 19945 1 . GLY 124 124 19945 1 . TYR 125 125 19945 1 . HIS 126 126 19945 1 . PHE 127 127 19945 1 . GLU 128 128 19945 1 . ALA 129 129 19945 1 . SER 130 130 19945 1 . LYS 131 131 19945 1 . GLY 132 132 19945 1 . LEU 133 133 19945 1 . ALA 134 134 19945 1 . ASP 135 135 19945 1 . ASP 136 136 19945 1 . ASP 137 137 19945 1 . HIS 138 138 19945 1 . PHE 139 139 19945 1 . VAL 140 140 19945 1 . GLY 141 141 19945 1 . LEU 142 142 19945 1 . ALA 143 143 19945 1 . ILE 144 144 19945 1 . ASP 145 145 19945 1 . GLU 146 146 19945 1 . ASP 147 147 19945 1 . ARG 148 148 19945 1 . GLN 149 149 19945 1 . PRO 150 150 19945 1 . GLU 151 151 19945 1 . LEU 152 152 19945 1 . THR 153 153 19945 1 . ALA 154 154 19945 1 . GLU 155 155 19945 1 . ARG 156 156 19945 1 . VAL 157 157 19945 1 . GLU 158 158 19945 1 . LYS 159 159 19945 1 . TRP 160 160 19945 1 . VAL 161 161 19945 1 . LYS 162 162 19945 1 . GLN 163 163 19945 1 . ILE 164 164 19945 1 . SER 165 165 19945 1 . GLU 166 166 19945 1 . GLU 167 167 19945 1 . LEU 168 168 19945 1 . HIS 169 169 19945 1 . LEU 170 170 19945 1 . ASP 171 171 19945 1 . GLU 172 172 19945 1 . ILE 173 173 19945 1 . LEU 174 174 19945 1 . ASN 175 175 19945 1 . ALA 176 176 19945 1 stop_ save_ save_entity_FMN _Entity.Sf_category entity _Entity.Sf_framecode entity_FMN _Entity.Entry_ID 19945 _Entity.ID 2 _Entity.BMRB_code FMN _Entity.Name 'FLAVIN MONONUCLEOTIDE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 456.344 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 19945 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FLAVIN MONONUCLEOTIDE' BMRB 19945 2 FMN 'Three letter code' 19945 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 FMN $chem_comp_FMN 19945 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 19945 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. Coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 19945 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 19945 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a(+) . . . 19945 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 19945 _Chem_comp.ID FMN _Chem_comp.Provenance PDB _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FMN _Chem_comp.PDB_code FMN _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 . _Chem_comp.Three_letter_code FMN _Chem_comp.Number_atoms_all 52 _Chem_comp.Number_atoms_nh 31 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/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 . _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 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FLM _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 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 19945 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 19945 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 19945 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19945 FMN FVTCRASFADXXNN-SCRDCRAPSA-N InChIKey InChI 1.03 19945 FMN ; InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 ; InChI InChI 1.03 19945 FMN O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 19945 FMN 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 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 19945 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19945 FMN 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 N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 19945 FMN C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 19945 FMN O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 19945 FMN N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 19945 FMN C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 19945 FMN O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 19945 FMN C4A C4A C4A C4A . C . . N 0 . . . 1 yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 19945 FMN N5 N5 N5 N5 . N . . N 0 . . . 1 yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 19945 FMN C5A C5A C5A C5A . C . . N 0 . . . 1 yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 19945 FMN C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 19945 FMN C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 19945 FMN C7M C7M C7M C7M . C . . N 0 . . . 1 no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 19945 FMN C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 19945 FMN C8M C8M C8M C8M . C . . N 0 . . . 1 no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 19945 FMN C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 19945 FMN C9A C9A C9A C9A . C . . N 0 . . . 1 yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 19945 FMN N10 N10 N10 N10 . N . . N 0 . . . 1 yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 19945 FMN C10 C10 C10 C10 . C . . N 0 . . . 1 yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 19945 FMN C1' C1' C1' C1* . C . . N 0 . . . 1 no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 19945 FMN C2' C2' C2' C2* . C . . S 0 . . . 1 no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 19945 FMN O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 19945 FMN C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 19945 FMN O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 19945 FMN C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 19945 FMN O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 19945 FMN C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 19945 FMN O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 19945 FMN P P P P . P . . N 0 . . . 1 no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 19945 FMN O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 19945 FMN O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 19945 FMN O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 19945 FMN HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 19945 FMN H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 19945 FMN HM71 HM71 HM71 1HM7 . H . . N 0 . . . 0 no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 19945 FMN HM72 HM72 HM72 2HM7 . H . . N 0 . . . 0 no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 19945 FMN HM73 HM73 HM73 3HM7 . H . . N 0 . . . 0 no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 19945 FMN HM81 HM81 HM81 1HM8 . H . . N 0 . . . 0 no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 19945 FMN HM82 HM82 HM82 2HM8 . H . . N 0 . . . 0 no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 19945 FMN HM83 HM83 HM83 3HM8 . H . . N 0 . . . 0 no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 19945 FMN H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 19945 FMN H1'1 H1'1 H1'1 1H1* . H . . N 0 . . . 0 no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 19945 FMN H1'2 H1'2 H1'2 2H1* . H . . N 0 . . . 0 no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 19945 FMN H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 19945 FMN HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 19945 FMN H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 19945 FMN HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 19945 FMN H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 19945 FMN HO4' HO4' HO4' *HO4 . H . . N 0 . . . 0 no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 19945 FMN H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 19945 FMN H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 19945 FMN HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 19945 FMN HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 19945 FMN 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 N1 C2 yes N 1 . 19945 FMN 2 . DOUB N1 C10 yes N 2 . 19945 FMN 3 . DOUB C2 O2 no N 3 . 19945 FMN 4 . SING C2 N3 yes N 4 . 19945 FMN 5 . SING N3 C4 yes N 5 . 19945 FMN 6 . SING N3 HN3 no N 6 . 19945 FMN 7 . DOUB C4 O4 no N 7 . 19945 FMN 8 . SING C4 C4A yes N 8 . 19945 FMN 9 . DOUB C4A N5 yes N 9 . 19945 FMN 10 . SING C4A C10 yes N 10 . 19945 FMN 11 . SING N5 C5A yes N 11 . 19945 FMN 12 . DOUB C5A C6 yes N 12 . 19945 FMN 13 . SING C5A C9A yes N 13 . 19945 FMN 14 . SING C6 C7 yes N 14 . 19945 FMN 15 . SING C6 H6 no N 15 . 19945 FMN 16 . SING C7 C7M no N 16 . 19945 FMN 17 . DOUB C7 C8 yes N 17 . 19945 FMN 18 . SING C7M HM71 no N 18 . 19945 FMN 19 . SING C7M HM72 no N 19 . 19945 FMN 20 . SING C7M HM73 no N 20 . 19945 FMN 21 . SING C8 C8M no N 21 . 19945 FMN 22 . SING C8 C9 yes N 22 . 19945 FMN 23 . SING C8M HM81 no N 23 . 19945 FMN 24 . SING C8M HM82 no N 24 . 19945 FMN 25 . SING C8M HM83 no N 25 . 19945 FMN 26 . DOUB C9 C9A yes N 26 . 19945 FMN 27 . SING C9 H9 no N 27 . 19945 FMN 28 . SING C9A N10 yes N 28 . 19945 FMN 29 . SING N10 C10 yes N 29 . 19945 FMN 30 . SING N10 C1' no N 30 . 19945 FMN 31 . SING C1' C2' no N 31 . 19945 FMN 32 . SING C1' H1'1 no N 32 . 19945 FMN 33 . SING C1' H1'2 no N 33 . 19945 FMN 34 . SING C2' O2' no N 34 . 19945 FMN 35 . SING C2' C3' no N 35 . 19945 FMN 36 . SING C2' H2' no N 36 . 19945 FMN 37 . SING O2' HO2' no N 37 . 19945 FMN 38 . SING C3' O3' no N 38 . 19945 FMN 39 . SING C3' C4' no N 39 . 19945 FMN 40 . SING C3' H3' no N 40 . 19945 FMN 41 . SING O3' HO3' no N 41 . 19945 FMN 42 . SING C4' O4' no N 42 . 19945 FMN 43 . SING C4' C5' no N 43 . 19945 FMN 44 . SING C4' H4' no N 44 . 19945 FMN 45 . SING O4' HO4' no N 45 . 19945 FMN 46 . SING C5' O5' no N 46 . 19945 FMN 47 . SING C5' H5'1 no N 47 . 19945 FMN 48 . SING C5' H5'2 no N 48 . 19945 FMN 49 . SING O5' P no N 49 . 19945 FMN 50 . DOUB P O1P no N 50 . 19945 FMN 51 . SING P O2P no N 51 . 19945 FMN 52 . SING P O3P no N 52 . 19945 FMN 53 . SING O2P HOP2 no N 53 . 19945 FMN 54 . SING O3P HOP3 no N 54 . 19945 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19945 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Protein '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 19945 1 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 19945 1 3 DTT 'natural abundance' . . . . . . 40 . . mM . . . . 19945 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19945 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19945 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19945 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Protein '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 19945 2 2 'sodium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 19945 2 3 DTT 'natural abundance' . . . . . . 40 . . mM . . . . 19945 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19945 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19945 2 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 19945 _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' 180 . mM 19945 1 pH 7 . pH 19945 1 pressure 1 . atm 19945 1 temperature 298 . K 19945 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19945 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19945 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19945 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19945 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19945 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19945 2 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 19945 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 19945 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 19945 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19945 1 2 spectrometer_2 Bruker Avance . 800 . . . 19945 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 19945 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 4 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19945 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19945 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19945 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19945 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25145 . . . . . . . . . 19945 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19945 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10133 . . . . . . . . . 19945 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 19945 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19945 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.252 . . . . . . A 2 ALA HA . 19945 1 2 . 1 1 2 2 ALA HB1 H 1 1.493 . . . . . . A 2 ALA HB1 . 19945 1 3 . 1 1 2 2 ALA HB2 H 1 1.493 . . . . . . A 2 ALA HB2 . 19945 1 4 . 1 1 2 2 ALA HB3 H 1 1.493 . . . . . . A 2 ALA HB3 . 19945 1 5 . 1 1 2 2 ALA C C 13 174.479 . . . . . . A 2 ALA C . 19945 1 6 . 1 1 2 2 ALA CA C 13 53.468 . . . . . . A 2 ALA CA . 19945 1 7 . 1 1 2 2 ALA CB C 13 19.167 . . . . . . A 2 ALA CB . 19945 1 8 . 1 1 3 3 ILE H H 1 8.456 . . . . . . A 3 ILE H . 19945 1 9 . 1 1 3 3 ILE HA H 1 4.545 . . . . . . A 3 ILE HA . 19945 1 10 . 1 1 3 3 ILE HB H 1 2.170 . . . . . . A 3 ILE HB . 19945 1 11 . 1 1 3 3 ILE HG12 H 1 1.507 . . . . . . A 3 ILE HG12 . 19945 1 12 . 1 1 3 3 ILE HG13 H 1 1.732 . . . . . . A 3 ILE HG13 . 19945 1 13 . 1 1 3 3 ILE HG21 H 1 1.175 . . . . . . A 3 ILE HG21 . 19945 1 14 . 1 1 3 3 ILE HG22 H 1 1.175 . . . . . . A 3 ILE HG22 . 19945 1 15 . 1 1 3 3 ILE HG23 H 1 1.175 . . . . . . A 3 ILE HG23 . 19945 1 16 . 1 1 3 3 ILE HD11 H 1 1.005 . . . . . . A 3 ILE HD11 . 19945 1 17 . 1 1 3 3 ILE HD12 H 1 1.005 . . . . . . A 3 ILE HD12 . 19945 1 18 . 1 1 3 3 ILE HD13 H 1 1.005 . . . . . . A 3 ILE HD13 . 19945 1 19 . 1 1 3 3 ILE C C 13 175.806 . . . . . . A 3 ILE C . 19945 1 20 . 1 1 3 3 ILE CA C 13 63.195 . . . . . . A 3 ILE CA . 19945 1 21 . 1 1 3 3 ILE CB C 13 39.410 . . . . . . A 3 ILE CB . 19945 1 22 . 1 1 3 3 ILE CG1 C 13 27.691 . . . . . . A 3 ILE CG1 . 19945 1 23 . 1 1 3 3 ILE CG2 C 13 17.900 . . . . . . A 3 ILE CG2 . 19945 1 24 . 1 1 3 3 ILE CD1 C 13 14.496 . . . . . . A 3 ILE CD1 . 19945 1 25 . 1 1 3 3 ILE N N 15 116.571 . . . . . . A 3 ILE N . 19945 1 26 . 1 1 4 4 THR H H 1 8.244 . . . . . . A 4 THR H . 19945 1 27 . 1 1 4 4 THR HA H 1 5.124 . . . . . . A 4 THR HA . 19945 1 28 . 1 1 4 4 THR HB H 1 3.969 . . . . . . A 4 THR HB . 19945 1 29 . 1 1 4 4 THR HG21 H 1 0.964 . . . . . . A 4 THR HG21 . 19945 1 30 . 1 1 4 4 THR HG22 H 1 0.964 . . . . . . A 4 THR HG22 . 19945 1 31 . 1 1 4 4 THR HG23 H 1 0.964 . . . . . . A 4 THR HG23 . 19945 1 32 . 1 1 4 4 THR C C 13 172.410 . . . . . . A 4 THR C . 19945 1 33 . 1 1 4 4 THR CA C 13 61.724 . . . . . . A 4 THR CA . 19945 1 34 . 1 1 4 4 THR CB C 13 70.059 . . . . . . A 4 THR CB . 19945 1 35 . 1 1 4 4 THR CG2 C 13 22.003 . . . . . . A 4 THR CG2 . 19945 1 36 . 1 1 4 4 THR N N 15 115.734 . . . . . . A 4 THR N . 19945 1 37 . 1 1 5 5 GLY H H 1 8.554 . . . . . . A 5 GLY H . 19945 1 38 . 1 1 5 5 GLY HA2 H 1 3.854 . . . . . . A 5 GLY HA2 . 19945 1 39 . 1 1 5 5 GLY HA3 H 1 1.935 . . . . . . A 5 GLY HA3 . 19945 1 40 . 1 1 5 5 GLY C C 13 171.077 . . . . . . A 5 GLY C . 19945 1 41 . 1 1 5 5 GLY CA C 13 43.509 . . . . . . A 5 GLY CA . 19945 1 42 . 1 1 5 5 GLY N N 15 116.016 . . . . . . A 5 GLY N . 19945 1 43 . 1 1 6 6 ILE H H 1 8.719 . . . . . . A 6 ILE H . 19945 1 44 . 1 1 6 6 ILE HA H 1 5.451 . . . . . . A 6 ILE HA . 19945 1 45 . 1 1 6 6 ILE HB H 1 2.133 . . . . . . A 6 ILE HB . 19945 1 46 . 1 1 6 6 ILE HG12 H 1 1.631 . . . . . . A 6 ILE HG12 . 19945 1 47 . 1 1 6 6 ILE HG13 H 1 1.005 . . . . . . A 6 ILE HG13 . 19945 1 48 . 1 1 6 6 ILE HG21 H 1 1.176 . . . . . . A 6 ILE HG21 . 19945 1 49 . 1 1 6 6 ILE HG22 H 1 1.176 . . . . . . A 6 ILE HG22 . 19945 1 50 . 1 1 6 6 ILE HG23 H 1 1.176 . . . . . . A 6 ILE HG23 . 19945 1 51 . 1 1 6 6 ILE HD11 H 1 0.652 . . . . . . A 6 ILE HD11 . 19945 1 52 . 1 1 6 6 ILE HD12 H 1 0.652 . . . . . . A 6 ILE HD12 . 19945 1 53 . 1 1 6 6 ILE HD13 H 1 0.652 . . . . . . A 6 ILE HD13 . 19945 1 54 . 1 1 6 6 ILE C C 13 175.245 . . . . . . A 6 ILE C . 19945 1 55 . 1 1 6 6 ILE CA C 13 59.918 . . . . . . A 6 ILE CA . 19945 1 56 . 1 1 6 6 ILE CB C 13 38.208 . . . . . . A 6 ILE CB . 19945 1 57 . 1 1 6 6 ILE CG1 C 13 27.582 . . . . . . A 6 ILE CG1 . 19945 1 58 . 1 1 6 6 ILE CG2 C 13 17.900 . . . . . . A 6 ILE CG2 . 19945 1 59 . 1 1 6 6 ILE CD1 C 13 14.830 . . . . . . A 6 ILE CD1 . 19945 1 60 . 1 1 6 6 ILE N N 15 126.504 . . . . . . A 6 ILE N . 19945 1 61 . 1 1 7 7 PHE H H 1 9.609 . . . . . . A 7 PHE H . 19945 1 62 . 1 1 7 7 PHE HA H 1 5.613 . . . . . . A 7 PHE HA . 19945 1 63 . 1 1 7 7 PHE HB2 H 1 2.449 . . . . . . A 7 PHE HB2 . 19945 1 64 . 1 1 7 7 PHE HB3 H 1 3.185 . . . . . . A 7 PHE HB3 . 19945 1 65 . 1 1 7 7 PHE HD1 H 1 6.869 . . . . . . A 7 PHE HD1 . 19945 1 66 . 1 1 7 7 PHE C C 13 174.634 . . . . . . A 7 PHE C . 19945 1 67 . 1 1 7 7 PHE CA C 13 55.663 . . . . . . A 7 PHE CA . 19945 1 68 . 1 1 7 7 PHE CB C 13 41.688 . . . . . . A 7 PHE CB . 19945 1 69 . 1 1 7 7 PHE CD1 C 13 132.224 . . . . . . A 7 PHE CD1 . 19945 1 70 . 1 1 7 7 PHE N N 15 127.559 . . . . . . A 7 PHE N . 19945 1 71 . 1 1 8 8 PHE H H 1 8.545 . . . . . . A 8 PHE H . 19945 1 72 . 1 1 8 8 PHE HA H 1 6.224 . . . . . . A 8 PHE HA . 19945 1 73 . 1 1 8 8 PHE HB2 H 1 2.992 . . . . . . A 8 PHE HB2 . 19945 1 74 . 1 1 8 8 PHE HB3 H 1 2.624 . . . . . . A 8 PHE HB3 . 19945 1 75 . 1 1 8 8 PHE HD1 H 1 6.640 . . . . . . A 8 PHE HD1 . 19945 1 76 . 1 1 8 8 PHE C C 13 171.212 . . . . . . A 8 PHE C . 19945 1 77 . 1 1 8 8 PHE CA C 13 54.679 . . . . . . A 8 PHE CA . 19945 1 78 . 1 1 8 8 PHE CB C 13 43.521 . . . . . . A 8 PHE CB . 19945 1 79 . 1 1 8 8 PHE N N 15 120.006 . . . . . . A 8 PHE N . 19945 1 80 . 1 1 9 9 GLY H H 1 7.701 . . . . . . A 9 GLY H . 19945 1 81 . 1 1 9 9 GLY HA2 H 1 4.702 . . . . . . A 9 GLY HA2 . 19945 1 82 . 1 1 9 9 GLY HA3 H 1 3.516 . . . . . . A 9 GLY HA3 . 19945 1 83 . 1 1 9 9 GLY C C 13 172.512 . . . . . . A 9 GLY C . 19945 1 84 . 1 1 9 9 GLY CA C 13 44.318 . . . . . . A 9 GLY CA . 19945 1 85 . 1 1 9 9 GLY N N 15 109.650 . . . . . . A 9 GLY N . 19945 1 86 . 1 1 10 10 SER H H 1 8.634 . . . . . . A 10 SER H . 19945 1 87 . 1 1 10 10 SER HA H 1 5.001 . . . . . . A 10 SER HA . 19945 1 88 . 1 1 10 10 SER HB2 H 1 3.914 . . . . . . A 10 SER HB2 . 19945 1 89 . 1 1 10 10 SER HB3 H 1 3.775 . . . . . . A 10 SER HB3 . 19945 1 90 . 1 1 10 10 SER C C 13 173.439 . . . . . . A 10 SER C . 19945 1 91 . 1 1 10 10 SER CA C 13 58.308 . . . . . . A 10 SER CA . 19945 1 92 . 1 1 10 10 SER CB C 13 66.423 . . . . . . A 10 SER CB . 19945 1 93 . 1 1 10 10 SER N N 15 115.953 . . . . . . A 10 SER N . 19945 1 94 . 1 1 11 11 ASP H H 1 11.201 . . . . . . A 11 ASP H . 19945 1 95 . 1 1 11 11 ASP HA H 1 4.974 . . . . . . A 11 ASP HA . 19945 1 96 . 1 1 11 11 ASP HB2 H 1 2.515 . . . . . . A 11 ASP HB2 . 19945 1 97 . 1 1 11 11 ASP HB3 H 1 2.046 . . . . . . A 11 ASP HB3 . 19945 1 98 . 1 1 11 11 ASP C C 13 179.108 . . . . . . A 11 ASP C . 19945 1 99 . 1 1 11 11 ASP CA C 13 55.549 . . . . . . A 11 ASP CA . 19945 1 100 . 1 1 11 11 ASP CB C 13 40.100 . . . . . . A 11 ASP CB . 19945 1 101 . 1 1 11 11 ASP N N 15 104.000 . . . . . . A 11 ASP N . 19945 1 102 . 1 1 12 12 THR H H 1 9.311 . . . . . . A 12 THR H . 19945 1 103 . 1 1 12 12 THR HA H 1 4.804 . . . . . . A 12 THR HA . 19945 1 104 . 1 1 12 12 THR HB H 1 4.804 . . . . . . A 12 THR HB . 19945 1 105 . 1 1 12 12 THR HG21 H 1 1.419 . . . . . . A 12 THR HG21 . 19945 1 106 . 1 1 12 12 THR HG22 H 1 1.419 . . . . . . A 12 THR HG22 . 19945 1 107 . 1 1 12 12 THR HG23 H 1 1.419 . . . . . . A 12 THR HG23 . 19945 1 108 . 1 1 12 12 THR C C 13 175.080 . . . . . . A 12 THR C . 19945 1 109 . 1 1 12 12 THR CA C 13 60.237 . . . . . . A 12 THR CA . 19945 1 110 . 1 1 12 12 THR CB C 13 68.567 . . . . . . A 12 THR CB . 19945 1 111 . 1 1 12 12 THR CG2 C 13 23.282 . . . . . . A 12 THR CG2 . 19945 1 112 . 1 1 12 12 THR N N 15 112.000 . . . . . . A 12 THR N . 19945 1 113 . 1 1 13 13 GLY H H 1 8.000 . . . . . . A 13 GLY H . 19945 1 114 . 1 1 13 13 GLY HA2 H 1 4.362 . . . . . . A 13 GLY HA2 . 19945 1 115 . 1 1 13 13 GLY HA3 H 1 3.769 . . . . . . A 13 GLY HA3 . 19945 1 116 . 1 1 13 13 GLY C C 13 176.690 . . . . . . A 13 GLY C . 19945 1 117 . 1 1 13 13 GLY CA C 13 46.300 . . . . . . A 13 GLY CA . 19945 1 118 . 1 1 13 13 GLY N N 15 112.221 . . . . . . A 13 GLY N . 19945 1 119 . 1 1 14 14 ASN H H 1 11.112 . . . . . . A 14 ASN H . 19945 1 120 . 1 1 14 14 ASN HA H 1 4.626 . . . . . . A 14 ASN HA . 19945 1 121 . 1 1 14 14 ASN HB2 H 1 3.597 . . . . . . A 14 ASN HB2 . 19945 1 122 . 1 1 14 14 ASN HB3 H 1 2.630 . . . . . . A 14 ASN HB3 . 19945 1 123 . 1 1 14 14 ASN HD21 H 1 7.407 . . . . . . A 14 ASN HD21 . 19945 1 124 . 1 1 14 14 ASN HD22 H 1 9.125 . . . . . . A 14 ASN HD22 . 19945 1 125 . 1 1 14 14 ASN C C 13 178.888 . . . . . . A 14 ASN C . 19945 1 126 . 1 1 14 14 ASN CA C 13 57.064 . . . . . . A 14 ASN CA . 19945 1 127 . 1 1 14 14 ASN CB C 13 36.834 . . . . . . A 14 ASN CB . 19945 1 128 . 1 1 14 14 ASN N N 15 128.520 . . . . . . A 14 ASN N . 19945 1 129 . 1 1 14 14 ASN ND2 N 15 117.820 . . . . . . A 14 ASN ND2 . 19945 1 130 . 1 1 15 15 THR H H 1 11.327 . . . . . . A 15 THR H . 19945 1 131 . 1 1 15 15 THR HA H 1 4.369 . . . . . . A 15 THR HA . 19945 1 132 . 1 1 15 15 THR HB H 1 3.614 . . . . . . A 15 THR HB . 19945 1 133 . 1 1 15 15 THR HG21 H 1 1.250 . . . . . . A 15 THR HG21 . 19945 1 134 . 1 1 15 15 THR HG22 H 1 1.250 . . . . . . A 15 THR HG22 . 19945 1 135 . 1 1 15 15 THR HG23 H 1 1.250 . . . . . . A 15 THR HG23 . 19945 1 136 . 1 1 15 15 THR C C 13 176.786 . . . . . . A 15 THR C . 19945 1 137 . 1 1 15 15 THR CA C 13 67.325 . . . . . . A 15 THR CA . 19945 1 138 . 1 1 15 15 THR CB C 13 67.961 . . . . . . A 15 THR CB . 19945 1 139 . 1 1 15 15 THR CG2 C 13 22.534 . . . . . . A 15 THR CG2 . 19945 1 140 . 1 1 15 15 THR N N 15 122.550 . . . . . . A 15 THR N . 19945 1 141 . 1 1 16 16 GLU H H 1 6.590 . . . . . . A 16 GLU H . 19945 1 142 . 1 1 16 16 GLU HA H 1 2.287 . . . . . . A 16 GLU HA . 19945 1 143 . 1 1 16 16 GLU HB2 H 1 1.453 . . . . . . A 16 GLU HB2 . 19945 1 144 . 1 1 16 16 GLU HB3 H 1 1.717 . . . . . . A 16 GLU HB3 . 19945 1 145 . 1 1 16 16 GLU HG2 H 1 1.335 . . . . . . A 16 GLU HG2 . 19945 1 146 . 1 1 16 16 GLU HG3 H 1 1.656 . . . . . . A 16 GLU HG3 . 19945 1 147 . 1 1 16 16 GLU C C 13 176.642 . . . . . . A 16 GLU C . 19945 1 148 . 1 1 16 16 GLU CA C 13 59.069 . . . . . . A 16 GLU CA . 19945 1 149 . 1 1 16 16 GLU CB C 13 28.377 . . . . . . A 16 GLU CB . 19945 1 150 . 1 1 16 16 GLU CG C 13 35.286 . . . . . . A 16 GLU CG . 19945 1 151 . 1 1 16 16 GLU N N 15 120.578 . . . . . . A 16 GLU N . 19945 1 152 . 1 1 17 17 ASN H H 1 7.705 . . . . . . A 17 ASN H . 19945 1 153 . 1 1 17 17 ASN HA H 1 4.310 . . . . . . A 17 ASN HA . 19945 1 154 . 1 1 17 17 ASN HB2 H 1 2.971 . . . . . . A 17 ASN HB2 . 19945 1 155 . 1 1 17 17 ASN HD21 H 1 6.759 . . . . . . A 17 ASN HD21 . 19945 1 156 . 1 1 17 17 ASN HD22 H 1 8.061 . . . . . . A 17 ASN HD22 . 19945 1 157 . 1 1 17 17 ASN C C 13 178.255 . . . . . . A 17 ASN C . 19945 1 158 . 1 1 17 17 ASN CA C 13 56.301 . . . . . . A 17 ASN CA . 19945 1 159 . 1 1 17 17 ASN CB C 13 37.638 . . . . . . A 17 ASN CB . 19945 1 160 . 1 1 17 17 ASN CG C 13 175.606 . . . . . . A 17 ASN CG . 19945 1 161 . 1 1 17 17 ASN N N 15 118.000 . . . . . . A 17 ASN N . 19945 1 162 . 1 1 17 17 ASN ND2 N 15 115.426 . . . . . . A 17 ASN ND2 . 19945 1 163 . 1 1 18 18 ILE H H 1 8.141 . . . . . . A 18 ILE H . 19945 1 164 . 1 1 18 18 ILE HA H 1 3.652 . . . . . . A 18 ILE HA . 19945 1 165 . 1 1 18 18 ILE HB H 1 2.128 . . . . . . A 18 ILE HB . 19945 1 166 . 1 1 18 18 ILE HG12 H 1 2.100 . . . . . . A 18 ILE HG12 . 19945 1 167 . 1 1 18 18 ILE HG13 H 1 1.007 . . . . . . A 18 ILE HG13 . 19945 1 168 . 1 1 18 18 ILE HG21 H 1 0.547 . . . . . . A 18 ILE HG21 . 19945 1 169 . 1 1 18 18 ILE HG22 H 1 0.547 . . . . . . A 18 ILE HG22 . 19945 1 170 . 1 1 18 18 ILE HG23 H 1 0.547 . . . . . . A 18 ILE HG23 . 19945 1 171 . 1 1 18 18 ILE HD11 H 1 0.642 . . . . . . A 18 ILE HD11 . 19945 1 172 . 1 1 18 18 ILE HD12 H 1 0.642 . . . . . . A 18 ILE HD12 . 19945 1 173 . 1 1 18 18 ILE HD13 H 1 0.642 . . . . . . A 18 ILE HD13 . 19945 1 174 . 1 1 18 18 ILE C C 13 177.564 . . . . . . A 18 ILE C . 19945 1 175 . 1 1 18 18 ILE CA C 13 62.500 . . . . . . A 18 ILE CA . 19945 1 176 . 1 1 18 18 ILE CB C 13 34.551 . . . . . . A 18 ILE CB . 19945 1 177 . 1 1 18 18 ILE CG1 C 13 27.316 . . . . . . A 18 ILE CG1 . 19945 1 178 . 1 1 18 18 ILE CG2 C 13 18.815 . . . . . . A 18 ILE CG2 . 19945 1 179 . 1 1 18 18 ILE CD1 C 13 78.206 . . . . . . A 18 ILE CD1 . 19945 1 180 . 1 1 18 18 ILE N N 15 119.430 . . . . . . A 18 ILE N . 19945 1 181 . 1 1 19 19 ALA H H 1 8.304 . . . . . . A 19 ALA H . 19945 1 182 . 1 1 19 19 ALA HA H 1 3.669 . . . . . . A 19 ALA HA . 19945 1 183 . 1 1 19 19 ALA HB1 H 1 1.465 . . . . . . A 19 ALA HB1 . 19945 1 184 . 1 1 19 19 ALA HB2 H 1 1.465 . . . . . . A 19 ALA HB2 . 19945 1 185 . 1 1 19 19 ALA HB3 H 1 1.465 . . . . . . A 19 ALA HB3 . 19945 1 186 . 1 1 19 19 ALA C C 13 178.888 . . . . . . A 19 ALA C . 19945 1 187 . 1 1 19 19 ALA CA C 13 55.655 . . . . . . A 19 ALA CA . 19945 1 188 . 1 1 19 19 ALA CB C 13 18.815 . . . . . . A 19 ALA CB . 19945 1 189 . 1 1 19 19 ALA N N 15 123.208 . . . . . . A 19 ALA N . 19945 1 190 . 1 1 20 20 LYS H H 1 7.722 . . . . . . A 20 LYS H . 19945 1 191 . 1 1 20 20 LYS HA H 1 3.816 . . . . . . A 20 LYS HA . 19945 1 192 . 1 1 20 20 LYS HB2 H 1 1.895 . . . . . . A 20 LYS HB2 . 19945 1 193 . 1 1 20 20 LYS HG2 H 1 1.530 . . . . . . A 20 LYS HG2 . 19945 1 194 . 1 1 20 20 LYS HG3 H 1 1.353 . . . . . . A 20 LYS HG3 . 19945 1 195 . 1 1 20 20 LYS HD2 H 1 1.636 . . . . . . A 20 LYS HD2 . 19945 1 196 . 1 1 20 20 LYS HE2 H 1 2.792 . . . . . . A 20 LYS HE2 . 19945 1 197 . 1 1 20 20 LYS HE3 H 1 2.919 . . . . . . A 20 LYS HE3 . 19945 1 198 . 1 1 20 20 LYS C C 13 179.666 . . . . . . A 20 LYS C . 19945 1 199 . 1 1 20 20 LYS CA C 13 59.822 . . . . . . A 20 LYS CA . 19945 1 200 . 1 1 20 20 LYS CB C 13 32.098 . . . . . . A 20 LYS CB . 19945 1 201 . 1 1 20 20 LYS CG C 13 26.650 . . . . . . A 20 LYS CG . 19945 1 202 . 1 1 20 20 LYS CD C 13 29.176 . . . . . . A 20 LYS CD . 19945 1 203 . 1 1 20 20 LYS CE C 13 41.987 . . . . . . A 20 LYS CE . 19945 1 204 . 1 1 20 20 LYS N N 15 116.460 . . . . . . A 20 LYS N . 19945 1 205 . 1 1 21 21 MET H H 1 8.336 . . . . . . A 21 MET H . 19945 1 206 . 1 1 21 21 MET HA H 1 3.946 . . . . . . A 21 MET HA . 19945 1 207 . 1 1 21 21 MET HB2 H 1 2.126 . . . . . . A 21 MET HB2 . 19945 1 208 . 1 1 21 21 MET HB3 H 1 2.287 . . . . . . A 21 MET HB3 . 19945 1 209 . 1 1 21 21 MET HG2 H 1 2.434 . . . . . . A 21 MET HG2 . 19945 1 210 . 1 1 21 21 MET HG3 H 1 2.735 . . . . . . A 21 MET HG3 . 19945 1 211 . 1 1 21 21 MET HE1 H 1 2.025 . . . . . . A 21 MET HE1 . 19945 1 212 . 1 1 21 21 MET HE2 H 1 2.025 . . . . . . A 21 MET HE2 . 19945 1 213 . 1 1 21 21 MET HE3 H 1 2.025 . . . . . . A 21 MET HE3 . 19945 1 214 . 1 1 21 21 MET C C 13 179.435 . . . . . . A 21 MET C . 19945 1 215 . 1 1 21 21 MET CA C 13 59.662 . . . . . . A 21 MET CA . 19945 1 216 . 1 1 21 21 MET CB C 13 34.262 . . . . . . A 21 MET CB . 19945 1 217 . 1 1 21 21 MET CG C 13 31.967 . . . . . . A 21 MET CG . 19945 1 218 . 1 1 21 21 MET CE C 13 16.424 . . . . . . A 21 MET CE . 19945 1 219 . 1 1 21 21 MET N N 15 123.880 . . . . . . A 21 MET N . 19945 1 220 . 1 1 22 22 ILE H H 1 8.500 . . . . . . A 22 ILE H . 19945 1 221 . 1 1 22 22 ILE HA H 1 3.245 . . . . . . A 22 ILE HA . 19945 1 222 . 1 1 22 22 ILE HB H 1 1.578 . . . . . . A 22 ILE HB . 19945 1 223 . 1 1 22 22 ILE HG12 H 1 0.469 . . . . . . A 22 ILE HG12 . 19945 1 224 . 1 1 22 22 ILE HG13 H 1 1.500 . . . . . . A 22 ILE HG13 . 19945 1 225 . 1 1 22 22 ILE HG21 H 1 0.618 . . . . . . A 22 ILE HG21 . 19945 1 226 . 1 1 22 22 ILE HG22 H 1 0.618 . . . . . . A 22 ILE HG22 . 19945 1 227 . 1 1 22 22 ILE HG23 H 1 0.618 . . . . . . A 22 ILE HG23 . 19945 1 228 . 1 1 22 22 ILE HD11 H 1 -0.275 . . . . . . A 22 ILE HD11 . 19945 1 229 . 1 1 22 22 ILE HD12 H 1 -0.275 . . . . . . A 22 ILE HD12 . 19945 1 230 . 1 1 22 22 ILE HD13 H 1 -0.275 . . . . . . A 22 ILE HD13 . 19945 1 231 . 1 1 22 22 ILE C C 13 177.592 . . . . . . A 22 ILE C . 19945 1 232 . 1 1 22 22 ILE CA C 13 65.724 . . . . . . A 22 ILE CA . 19945 1 233 . 1 1 22 22 ILE CB C 13 37.677 . . . . . . A 22 ILE CB . 19945 1 234 . 1 1 22 22 ILE CG1 C 13 29.362 . . . . . . A 22 ILE CG1 . 19945 1 235 . 1 1 22 22 ILE CG2 C 13 17.487 . . . . . . A 22 ILE CG2 . 19945 1 236 . 1 1 22 22 ILE CD1 C 13 13.502 . . . . . . A 22 ILE CD1 . 19945 1 237 . 1 1 22 22 ILE N N 15 122.065 . . . . . . A 22 ILE N . 19945 1 238 . 1 1 23 23 GLN H H 1 7.985 . . . . . . A 23 GLN H . 19945 1 239 . 1 1 23 23 GLN HA H 1 3.444 . . . . . . A 23 GLN HA . 19945 1 240 . 1 1 23 23 GLN HB2 H 1 2.213 . . . . . . A 23 GLN HB2 . 19945 1 241 . 1 1 23 23 GLN HB3 H 1 1.615 . . . . . . A 23 GLN HB3 . 19945 1 242 . 1 1 23 23 GLN HG2 H 1 2.022 . . . . . . A 23 GLN HG2 . 19945 1 243 . 1 1 23 23 GLN HG3 H 1 2.302 . . . . . . A 23 GLN HG3 . 19945 1 244 . 1 1 23 23 GLN HE21 H 1 8.332 . . . . . . A 23 GLN HE21 . 19945 1 245 . 1 1 23 23 GLN HE22 H 1 7.067 . . . . . . A 23 GLN HE22 . 19945 1 246 . 1 1 23 23 GLN C C 13 177.017 . . . . . . A 23 GLN C . 19945 1 247 . 1 1 23 23 GLN CA C 13 59.691 . . . . . . A 23 GLN CA . 19945 1 248 . 1 1 23 23 GLN CB C 13 27.848 . . . . . . A 23 GLN CB . 19945 1 249 . 1 1 23 23 GLN CG C 13 33.426 . . . . . . A 23 GLN CG . 19945 1 250 . 1 1 23 23 GLN CD C 13 178.057 . . . . . . A 23 GLN CD . 19945 1 251 . 1 1 23 23 GLN N N 15 119.264 . . . . . . A 23 GLN N . 19945 1 252 . 1 1 23 23 GLN NE2 N 15 114.700 . . . . . . A 23 GLN NE2 . 19945 1 253 . 1 1 24 24 LYS H H 1 7.942 . . . . . . A 24 LYS H . 19945 1 254 . 1 1 24 24 LYS HA H 1 3.920 . . . . . . A 24 LYS HA . 19945 1 255 . 1 1 24 24 LYS HB2 H 1 1.922 . . . . . . A 24 LYS HB2 . 19945 1 256 . 1 1 24 24 LYS HG2 H 1 1.415 . . . . . . A 24 LYS HG2 . 19945 1 257 . 1 1 24 24 LYS HG3 H 1 1.544 . . . . . . A 24 LYS HG3 . 19945 1 258 . 1 1 24 24 LYS HD2 H 1 1.690 . . . . . . A 24 LYS HD2 . 19945 1 259 . 1 1 24 24 LYS HE2 H 1 2.983 . . . . . . A 24 LYS HE2 . 19945 1 260 . 1 1 24 24 LYS C C 13 178.427 . . . . . . A 24 LYS C . 19945 1 261 . 1 1 24 24 LYS CA C 13 59.160 . . . . . . A 24 LYS CA . 19945 1 262 . 1 1 24 24 LYS CB C 13 32.364 . . . . . . A 24 LYS CB . 19945 1 263 . 1 1 24 24 LYS CG C 13 25.190 . . . . . . A 24 LYS CG . 19945 1 264 . 1 1 24 24 LYS CD C 13 29.441 . . . . . . A 24 LYS CD . 19945 1 265 . 1 1 24 24 LYS CE C 13 42.226 . . . . . . A 24 LYS CE . 19945 1 266 . 1 1 24 24 LYS N N 15 118.970 . . . . . . A 24 LYS N . 19945 1 267 . 1 1 25 25 GLN H H 1 7.636 . . . . . . A 25 GLN H . 19945 1 268 . 1 1 25 25 GLN HA H 1 4.003 . . . . . . A 25 GLN HA . 19945 1 269 . 1 1 25 25 GLN HB2 H 1 2.043 . . . . . . A 25 GLN HB2 . 19945 1 270 . 1 1 25 25 GLN HB3 H 1 2.133 . . . . . . A 25 GLN HB3 . 19945 1 271 . 1 1 25 25 GLN HG2 H 1 2.337 . . . . . . A 25 GLN HG2 . 19945 1 272 . 1 1 25 25 GLN HE21 H 1 7.026 . . . . . . A 25 GLN HE21 . 19945 1 273 . 1 1 25 25 GLN HE22 H 1 7.674 . . . . . . A 25 GLN HE22 . 19945 1 274 . 1 1 25 25 GLN C C 13 178.226 . . . . . . A 25 GLN C . 19945 1 275 . 1 1 25 25 GLN CA C 13 58.083 . . . . . . A 25 GLN CA . 19945 1 276 . 1 1 25 25 GLN CB C 13 28.910 . . . . . . A 25 GLN CB . 19945 1 277 . 1 1 25 25 GLN CG C 13 33.566 . . . . . . A 25 GLN CG . 19945 1 278 . 1 1 25 25 GLN CD C 13 178.168 . . . . . . A 25 GLN CD . 19945 1 279 . 1 1 25 25 GLN N N 15 118.400 . . . . . . A 25 GLN N . 19945 1 280 . 1 1 25 25 GLN NE2 N 15 111.530 . . . . . . A 25 GLN NE2 . 19945 1 281 . 1 1 26 26 LEU H H 1 8.098 . . . . . . A 26 LEU H . 19945 1 282 . 1 1 26 26 LEU HA H 1 4.019 . . . . . . A 26 LEU HA . 19945 1 283 . 1 1 26 26 LEU HB2 H 1 1.244 . . . . . . A 26 LEU HB2 . 19945 1 284 . 1 1 26 26 LEU HB3 H 1 1.689 . . . . . . A 26 LEU HB3 . 19945 1 285 . 1 1 26 26 LEU HG H 1 0.576 . . . . . . A 26 LEU HG . 19945 1 286 . 1 1 26 26 LEU HD11 H 1 0.631 . . . . . . A 26 LEU HD11 . 19945 1 287 . 1 1 26 26 LEU HD12 H 1 0.631 . . . . . . A 26 LEU HD12 . 19945 1 288 . 1 1 26 26 LEU HD13 H 1 0.631 . . . . . . A 26 LEU HD13 . 19945 1 289 . 1 1 26 26 LEU HD21 H 1 1.555 . . . . . . A 26 LEU HD21 . 19945 1 290 . 1 1 26 26 LEU HD22 H 1 1.555 . . . . . . A 26 LEU HD22 . 19945 1 291 . 1 1 26 26 LEU HD23 H 1 1.555 . . . . . . A 26 LEU HD23 . 19945 1 292 . 1 1 26 26 LEU C C 13 177.247 . . . . . . A 26 LEU C . 19945 1 293 . 1 1 26 26 LEU CA C 13 57.069 . . . . . . A 26 LEU CA . 19945 1 294 . 1 1 26 26 LEU CB C 13 43.149 . . . . . . A 26 LEU CB . 19945 1 295 . 1 1 26 26 LEU CG C 13 26.785 . . . . . . A 26 LEU CG . 19945 1 296 . 1 1 26 26 LEU CD1 C 13 23.240 . . . . . . A 26 LEU CD1 . 19945 1 297 . 1 1 26 26 LEU CD2 C 13 26.700 . . . . . . A 26 LEU CD2 . 19945 1 298 . 1 1 26 26 LEU N N 15 119.080 . . . . . . A 26 LEU N . 19945 1 299 . 1 1 27 27 GLY H H 1 8.050 . . . . . . A 27 GLY H . 19945 1 300 . 1 1 27 27 GLY HA2 H 1 3.660 . . . . . . A 27 GLY HA2 . 19945 1 301 . 1 1 27 27 GLY HA3 H 1 4.562 . . . . . . A 27 GLY HA3 . 19945 1 302 . 1 1 27 27 GLY C C 13 175.231 . . . . . . A 27 GLY C . 19945 1 303 . 1 1 27 27 GLY CA C 13 44.060 . . . . . . A 27 GLY CA . 19945 1 304 . 1 1 27 27 GLY N N 15 107.750 . . . . . . A 27 GLY N . 19945 1 305 . 1 1 28 28 LYS H H 1 8.786 . . . . . . A 28 LYS H . 19945 1 306 . 1 1 28 28 LYS HA H 1 4.223 . . . . . . A 28 LYS HA . 19945 1 307 . 1 1 28 28 LYS HB2 H 1 1.841 . . . . . . A 28 LYS HB2 . 19945 1 308 . 1 1 28 28 LYS HG2 H 1 1.375 . . . . . . A 28 LYS HG2 . 19945 1 309 . 1 1 28 28 LYS HG3 H 1 1.480 . . . . . . A 28 LYS HG3 . 19945 1 310 . 1 1 28 28 LYS HD2 H 1 1.694 . . . . . . A 28 LYS HD2 . 19945 1 311 . 1 1 28 28 LYS HE2 H 1 2.985 . . . . . . A 28 LYS HE2 . 19945 1 312 . 1 1 28 28 LYS C C 13 176.372 . . . . . . A 28 LYS C . 19945 1 313 . 1 1 28 28 LYS CA C 13 58.929 . . . . . . A 28 LYS CA . 19945 1 314 . 1 1 28 28 LYS CB C 13 32.098 . . . . . . A 28 LYS CB . 19945 1 315 . 1 1 28 28 LYS CG C 13 24.925 . . . . . . A 28 LYS CG . 19945 1 316 . 1 1 28 28 LYS CD C 13 29.426 . . . . . . A 28 LYS CD . 19945 1 317 . 1 1 28 28 LYS CE C 13 41.921 . . . . . . A 28 LYS CE . 19945 1 318 . 1 1 28 28 LYS N N 15 125.187 . . . . . . A 28 LYS N . 19945 1 319 . 1 1 29 29 ASP H H 1 8.919 . . . . . . A 29 ASP H . 19945 1 320 . 1 1 29 29 ASP HA H 1 4.575 . . . . . . A 29 ASP HA . 19945 1 321 . 1 1 29 29 ASP HB2 H 1 2.711 . . . . . . A 29 ASP HB2 . 19945 1 322 . 1 1 29 29 ASP HB3 H 1 2.819 . . . . . . A 29 ASP HB3 . 19945 1 323 . 1 1 29 29 ASP C C 13 176.437 . . . . . . A 29 ASP C . 19945 1 324 . 1 1 29 29 ASP CA C 13 55.210 . . . . . . A 29 ASP CA . 19945 1 325 . 1 1 29 29 ASP CB C 13 39.802 . . . . . . A 29 ASP CB . 19945 1 326 . 1 1 29 29 ASP N N 15 115.960 . . . . . . A 29 ASP N . 19945 1 327 . 1 1 30 30 VAL H H 1 7.573 . . . . . . A 30 VAL H . 19945 1 328 . 1 1 30 30 VAL HA H 1 4.056 . . . . . . A 30 VAL HA . 19945 1 329 . 1 1 30 30 VAL HB H 1 1.980 . . . . . . A 30 VAL HB . 19945 1 330 . 1 1 30 30 VAL HG11 H 1 0.990 . . . . . . A 30 VAL HG11 . 19945 1 331 . 1 1 30 30 VAL HG12 H 1 0.990 . . . . . . A 30 VAL HG12 . 19945 1 332 . 1 1 30 30 VAL HG13 H 1 0.990 . . . . . . A 30 VAL HG13 . 19945 1 333 . 1 1 30 30 VAL HG21 H 1 0.894 . . . . . . A 30 VAL HG21 . 19945 1 334 . 1 1 30 30 VAL HG22 H 1 0.894 . . . . . . A 30 VAL HG22 . 19945 1 335 . 1 1 30 30 VAL HG23 H 1 0.894 . . . . . . A 30 VAL HG23 . 19945 1 336 . 1 1 30 30 VAL C C 13 174.656 . . . . . . A 30 VAL C . 19945 1 337 . 1 1 30 30 VAL CA C 13 63.720 . . . . . . A 30 VAL CA . 19945 1 338 . 1 1 30 30 VAL CB C 13 32.838 . . . . . . A 30 VAL CB . 19945 1 339 . 1 1 30 30 VAL CG1 C 13 22.269 . . . . . . A 30 VAL CG1 . 19945 1 340 . 1 1 30 30 VAL CG2 C 13 22.003 . . . . . . A 30 VAL CG2 . 19945 1 341 . 1 1 30 30 VAL N N 15 120.609 . . . . . . A 30 VAL N . 19945 1 342 . 1 1 31 31 ALA H H 1 7.951 . . . . . . A 31 ALA H . 19945 1 343 . 1 1 31 31 ALA HA H 1 5.531 . . . . . . A 31 ALA HA . 19945 1 344 . 1 1 31 31 ALA HB1 H 1 1.076 . . . . . . A 31 ALA HB1 . 19945 1 345 . 1 1 31 31 ALA HB2 H 1 1.076 . . . . . . A 31 ALA HB2 . 19945 1 346 . 1 1 31 31 ALA HB3 H 1 1.076 . . . . . . A 31 ALA HB3 . 19945 1 347 . 1 1 31 31 ALA C C 13 175.174 . . . . . . A 31 ALA C . 19945 1 348 . 1 1 31 31 ALA CA C 13 50.162 . . . . . . A 31 ALA CA . 19945 1 349 . 1 1 31 31 ALA CB C 13 23.331 . . . . . . A 31 ALA CB . 19945 1 350 . 1 1 31 31 ALA N N 15 123.100 . . . . . . A 31 ALA N . 19945 1 351 . 1 1 32 32 ASP H H 1 8.175 . . . . . . A 32 ASP H . 19945 1 352 . 1 1 32 32 ASP HA H 1 4.869 . . . . . . A 32 ASP HA . 19945 1 353 . 1 1 32 32 ASP HB2 H 1 2.498 . . . . . . A 32 ASP HB2 . 19945 1 354 . 1 1 32 32 ASP C C 13 174.771 . . . . . . A 32 ASP C . 19945 1 355 . 1 1 32 32 ASP CA C 13 52.412 . . . . . . A 32 ASP CA . 19945 1 356 . 1 1 32 32 ASP CB C 13 43.787 . . . . . . A 32 ASP CB . 19945 1 357 . 1 1 32 32 ASP N N 15 121.576 . . . . . . A 32 ASP N . 19945 1 358 . 1 1 33 33 VAL H H 1 8.397 . . . . . . A 33 VAL H . 19945 1 359 . 1 1 33 33 VAL HA H 1 4.657 . . . . . . A 33 VAL HA . 19945 1 360 . 1 1 33 33 VAL HB H 1 1.705 . . . . . . A 33 VAL HB . 19945 1 361 . 1 1 33 33 VAL HG11 H 1 0.874 . . . . . . A 33 VAL HG11 . 19945 1 362 . 1 1 33 33 VAL HG12 H 1 0.874 . . . . . . A 33 VAL HG12 . 19945 1 363 . 1 1 33 33 VAL HG13 H 1 0.874 . . . . . . A 33 VAL HG13 . 19945 1 364 . 1 1 33 33 VAL HG21 H 1 0.737 . . . . . . A 33 VAL HG21 . 19945 1 365 . 1 1 33 33 VAL HG22 H 1 0.737 . . . . . . A 33 VAL HG22 . 19945 1 366 . 1 1 33 33 VAL HG23 H 1 0.737 . . . . . . A 33 VAL HG23 . 19945 1 367 . 1 1 33 33 VAL C C 13 174.252 . . . . . . A 33 VAL C . 19945 1 368 . 1 1 33 33 VAL CA C 13 61.303 . . . . . . A 33 VAL CA . 19945 1 369 . 1 1 33 33 VAL CB C 13 33.876 . . . . . . A 33 VAL CB . 19945 1 370 . 1 1 33 33 VAL CG1 C 13 22.269 . . . . . . A 33 VAL CG1 . 19945 1 371 . 1 1 33 33 VAL CG2 C 13 22.800 . . . . . . A 33 VAL CG2 . 19945 1 372 . 1 1 33 33 VAL N N 15 120.428 . . . . . . A 33 VAL N . 19945 1 373 . 1 1 34 34 HIS H H 1 8.945 . . . . . . A 34 HIS H . 19945 1 374 . 1 1 34 34 HIS HA H 1 4.553 . . . . . . A 34 HIS HA . 19945 1 375 . 1 1 34 34 HIS HB2 H 1 1.929 . . . . . . A 34 HIS HB2 . 19945 1 376 . 1 1 34 34 HIS HB3 H 1 2.541 . . . . . . A 34 HIS HB3 . 19945 1 377 . 1 1 34 34 HIS HD2 H 1 6.852 . . . . . . A 34 HIS HD2 . 19945 1 378 . 1 1 34 34 HIS C C 13 171.920 . . . . . . A 34 HIS C . 19945 1 379 . 1 1 34 34 HIS CA C 13 53.571 . . . . . . A 34 HIS CA . 19945 1 380 . 1 1 34 34 HIS CB C 13 33.420 . . . . . . A 34 HIS CB . 19945 1 381 . 1 1 34 34 HIS CD2 C 13 118.400 . . . . . . A 34 HIS CD2 . 19945 1 382 . 1 1 34 34 HIS N N 15 125.285 . . . . . . A 34 HIS N . 19945 1 383 . 1 1 35 35 ASP H H 1 8.589 . . . . . . A 35 ASP H . 19945 1 384 . 1 1 35 35 ASP HA H 1 3.297 . . . . . . A 35 ASP HA . 19945 1 385 . 1 1 35 35 ASP HB2 H 1 2.450 . . . . . . A 35 ASP HB2 . 19945 1 386 . 1 1 35 35 ASP HB3 H 1 2.287 . . . . . . A 35 ASP HB3 . 19945 1 387 . 1 1 35 35 ASP C C 13 179.780 . . . . . . A 35 ASP C . 19945 1 388 . 1 1 35 35 ASP CA C 13 51.756 . . . . . . A 35 ASP CA . 19945 1 389 . 1 1 35 35 ASP CB C 13 41.396 . . . . . . A 35 ASP CB . 19945 1 390 . 1 1 35 35 ASP N N 15 124.120 . . . . . . A 35 ASP N . 19945 1 391 . 1 1 36 36 ILE H H 1 9.705 . . . . . . A 36 ILE H . 19945 1 392 . 1 1 36 36 ILE HA H 1 3.554 . . . . . . A 36 ILE HA . 19945 1 393 . 1 1 36 36 ILE HB H 1 0.236 . . . . . . A 36 ILE HB . 19945 1 394 . 1 1 36 36 ILE HG12 H 1 -1.341 . . . . . . A 36 ILE HG12 . 19945 1 395 . 1 1 36 36 ILE HG13 H 1 -0.138 . . . . . . A 36 ILE HG13 . 19945 1 396 . 1 1 36 36 ILE HG21 H 1 -0.409 . . . . . . A 36 ILE HG21 . 19945 1 397 . 1 1 36 36 ILE HG22 H 1 -0.409 . . . . . . A 36 ILE HG22 . 19945 1 398 . 1 1 36 36 ILE HG23 H 1 -0.409 . . . . . . A 36 ILE HG23 . 19945 1 399 . 1 1 36 36 ILE HD11 H 1 -0.658 . . . . . . A 36 ILE HD11 . 19945 1 400 . 1 1 36 36 ILE HD12 H 1 -0.658 . . . . . . A 36 ILE HD12 . 19945 1 401 . 1 1 36 36 ILE HD13 H 1 -0.658 . . . . . . A 36 ILE HD13 . 19945 1 402 . 1 1 36 36 ILE C C 13 175.404 . . . . . . A 36 ILE C . 19945 1 403 . 1 1 36 36 ILE CA C 13 59.350 . . . . . . A 36 ILE CA . 19945 1 404 . 1 1 36 36 ILE CB C 13 39.271 . . . . . . A 36 ILE CB . 19945 1 405 . 1 1 36 36 ILE CG1 C 13 27.069 . . . . . . A 36 ILE CG1 . 19945 1 406 . 1 1 36 36 ILE CG2 C 13 18.442 . . . . . . A 36 ILE CG2 . 19945 1 407 . 1 1 36 36 ILE CD1 C 13 13.986 . . . . . . A 36 ILE CD1 . 19945 1 408 . 1 1 36 36 ILE N N 15 106.681 . . . . . . A 36 ILE N . 19945 1 409 . 1 1 37 37 ALA H H 1 8.261 . . . . . . A 37 ALA H . 19945 1 410 . 1 1 37 37 ALA HA H 1 4.089 . . . . . . A 37 ALA HA . 19945 1 411 . 1 1 37 37 ALA HB1 H 1 1.184 . . . . . . A 37 ALA HB1 . 19945 1 412 . 1 1 37 37 ALA HB2 H 1 1.184 . . . . . . A 37 ALA HB2 . 19945 1 413 . 1 1 37 37 ALA HB3 H 1 1.184 . . . . . . A 37 ALA HB3 . 19945 1 414 . 1 1 37 37 ALA C C 13 178.140 . . . . . . A 37 ALA C . 19945 1 415 . 1 1 37 37 ALA CA C 13 53.616 . . . . . . A 37 ALA CA . 19945 1 416 . 1 1 37 37 ALA CB C 13 19.346 . . . . . . A 37 ALA CB . 19945 1 417 . 1 1 37 37 ALA N N 15 123.095 . . . . . . A 37 ALA N . 19945 1 418 . 1 1 38 38 LYS H H 1 7.437 . . . . . . A 38 LYS H . 19945 1 419 . 1 1 38 38 LYS HA H 1 4.611 . . . . . . A 38 LYS HA . 19945 1 420 . 1 1 38 38 LYS HB2 H 1 1.662 . . . . . . A 38 LYS HB2 . 19945 1 421 . 1 1 38 38 LYS HB3 H 1 2.255 . . . . . . A 38 LYS HB3 . 19945 1 422 . 1 1 38 38 LYS HG2 H 1 1.288 . . . . . . A 38 LYS HG2 . 19945 1 423 . 1 1 38 38 LYS HD2 H 1 1.644 . . . . . . A 38 LYS HD2 . 19945 1 424 . 1 1 38 38 LYS HD3 H 1 1.720 . . . . . . A 38 LYS HD3 . 19945 1 425 . 1 1 38 38 LYS HE2 H 1 3.030 . . . . . . A 38 LYS HE2 . 19945 1 426 . 1 1 38 38 LYS HE3 H 1 2.981 . . . . . . A 38 LYS HE3 . 19945 1 427 . 1 1 38 38 LYS C C 13 176.498 . . . . . . A 38 LYS C . 19945 1 428 . 1 1 38 38 LYS CA C 13 54.147 . . . . . . A 38 LYS CA . 19945 1 429 . 1 1 38 38 LYS CB C 13 33.426 . . . . . . A 38 LYS CB . 19945 1 430 . 1 1 38 38 LYS CG C 13 25.191 . . . . . . A 38 LYS CG . 19945 1 431 . 1 1 38 38 LYS CD C 13 29.253 . . . . . . A 38 LYS CD . 19945 1 432 . 1 1 38 38 LYS CE C 13 42.182 . . . . . . A 38 LYS CE . 19945 1 433 . 1 1 38 38 LYS N N 15 115.312 . . . . . . A 38 LYS N . 19945 1 434 . 1 1 39 39 SER H H 1 7.051 . . . . . . A 39 SER H . 19945 1 435 . 1 1 39 39 SER HA H 1 5.019 . . . . . . A 39 SER HA . 19945 1 436 . 1 1 39 39 SER HB2 H 1 3.511 . . . . . . A 39 SER HB2 . 19945 1 437 . 1 1 39 39 SER HB3 H 1 3.771 . . . . . . A 39 SER HB3 . 19945 1 438 . 1 1 39 39 SER C C 13 171.402 . . . . . . A 39 SER C . 19945 1 439 . 1 1 39 39 SER CA C 13 58.929 . . . . . . A 39 SER CA . 19945 1 440 . 1 1 39 39 SER CB C 13 65.538 . . . . . . A 39 SER CB . 19945 1 441 . 1 1 39 39 SER N N 15 115.623 . . . . . . A 39 SER N . 19945 1 442 . 1 1 40 40 SER H H 1 9.377 . . . . . . A 40 SER H . 19945 1 443 . 1 1 40 40 SER HA H 1 5.025 . . . . . . A 40 SER HA . 19945 1 444 . 1 1 40 40 SER HB2 H 1 4.189 . . . . . . A 40 SER HB2 . 19945 1 445 . 1 1 40 40 SER HB3 H 1 3.983 . . . . . . A 40 SER HB3 . 19945 1 446 . 1 1 40 40 SER C C 13 174.741 . . . . . . A 40 SER C . 19945 1 447 . 1 1 40 40 SER CA C 13 56.003 . . . . . . A 40 SER CA . 19945 1 448 . 1 1 40 40 SER CB C 13 67.416 . . . . . . A 40 SER CB . 19945 1 449 . 1 1 40 40 SER N N 15 118.860 . . . . . . A 40 SER N . 19945 1 450 . 1 1 41 41 LYS H H 1 9.098 . . . . . . A 41 LYS H . 19945 1 451 . 1 1 41 41 LYS HA H 1 3.738 . . . . . . A 41 LYS HA . 19945 1 452 . 1 1 41 41 LYS HB2 H 1 1.716 . . . . . . A 41 LYS HB2 . 19945 1 453 . 1 1 41 41 LYS HG2 H 1 1.242 . . . . . . A 41 LYS HG2 . 19945 1 454 . 1 1 41 41 LYS HG3 H 1 1.106 . . . . . . A 41 LYS HG3 . 19945 1 455 . 1 1 41 41 LYS HD2 H 1 1.636 . . . . . . A 41 LYS HD2 . 19945 1 456 . 1 1 41 41 LYS HE2 H 1 2.833 . . . . . . A 41 LYS HE2 . 19945 1 457 . 1 1 41 41 LYS HE3 H 1 2.909 . . . . . . A 41 LYS HE3 . 19945 1 458 . 1 1 41 41 LYS C C 13 177.391 . . . . . . A 41 LYS C . 19945 1 459 . 1 1 41 41 LYS CA C 13 60.973 . . . . . . A 41 LYS CA . 19945 1 460 . 1 1 41 41 LYS CB C 13 33.307 . . . . . . A 41 LYS CB . 19945 1 461 . 1 1 41 41 LYS CG C 13 24.321 . . . . . . A 41 LYS CG . 19945 1 462 . 1 1 41 41 LYS CD C 13 29.973 . . . . . . A 41 LYS CD . 19945 1 463 . 1 1 41 41 LYS CE C 13 41.819 . . . . . . A 41 LYS CE . 19945 1 464 . 1 1 41 41 LYS N N 15 122.504 . . . . . . A 41 LYS N . 19945 1 465 . 1 1 42 42 GLU H H 1 8.839 . . . . . . A 42 GLU H . 19945 1 466 . 1 1 42 42 GLU HA H 1 4.128 . . . . . . A 42 GLU HA . 19945 1 467 . 1 1 42 42 GLU HB2 H 1 2.049 . . . . . . A 42 GLU HB2 . 19945 1 468 . 1 1 42 42 GLU HB3 H 1 1.965 . . . . . . A 42 GLU HB3 . 19945 1 469 . 1 1 42 42 GLU HG2 H 1 2.493 . . . . . . A 42 GLU HG2 . 19945 1 470 . 1 1 42 42 GLU HG3 H 1 2.286 . . . . . . A 42 GLU HG3 . 19945 1 471 . 1 1 42 42 GLU C C 13 178.773 . . . . . . A 42 GLU C . 19945 1 472 . 1 1 42 42 GLU CA C 13 59.992 . . . . . . A 42 GLU CA . 19945 1 473 . 1 1 42 42 GLU CB C 13 28.644 . . . . . . A 42 GLU CB . 19945 1 474 . 1 1 42 42 GLU CG C 13 37.280 . . . . . . A 42 GLU CG . 19945 1 475 . 1 1 42 42 GLU N N 15 115.836 . . . . . . A 42 GLU N . 19945 1 476 . 1 1 43 43 ASP H H 1 7.794 . . . . . . A 43 ASP H . 19945 1 477 . 1 1 43 43 ASP HA H 1 4.486 . . . . . . A 43 ASP HA . 19945 1 478 . 1 1 43 43 ASP HB2 H 1 2.529 . . . . . . A 43 ASP HB2 . 19945 1 479 . 1 1 43 43 ASP HB3 H 1 3.148 . . . . . . A 43 ASP HB3 . 19945 1 480 . 1 1 43 43 ASP C C 13 177.564 . . . . . . A 43 ASP C . 19945 1 481 . 1 1 43 43 ASP CA C 13 57.601 . . . . . . A 43 ASP CA . 19945 1 482 . 1 1 43 43 ASP CB C 13 40.806 . . . . . . A 43 ASP CB . 19945 1 483 . 1 1 43 43 ASP N N 15 119.589 . . . . . . A 43 ASP N . 19945 1 484 . 1 1 44 44 LEU H H 1 6.854 . . . . . . A 44 LEU H . 19945 1 485 . 1 1 44 44 LEU HA H 1 3.971 . . . . . . A 44 LEU HA . 19945 1 486 . 1 1 44 44 LEU HB2 H 1 1.436 . . . . . . A 44 LEU HB2 . 19945 1 487 . 1 1 44 44 LEU HG H 1 0.294 . . . . . . A 44 LEU HG . 19945 1 488 . 1 1 44 44 LEU HD11 H 1 0.276 . . . . . . A 44 LEU HD11 . 19945 1 489 . 1 1 44 44 LEU HD12 H 1 0.276 . . . . . . A 44 LEU HD12 . 19945 1 490 . 1 1 44 44 LEU HD13 H 1 0.276 . . . . . . A 44 LEU HD13 . 19945 1 491 . 1 1 44 44 LEU HD21 H 1 0.529 . . . . . . A 44 LEU HD21 . 19945 1 492 . 1 1 44 44 LEU HD22 H 1 0.529 . . . . . . A 44 LEU HD22 . 19945 1 493 . 1 1 44 44 LEU HD23 H 1 0.529 . . . . . . A 44 LEU HD23 . 19945 1 494 . 1 1 44 44 LEU C C 13 178.600 . . . . . . A 44 LEU C . 19945 1 495 . 1 1 44 44 LEU CA C 13 59.882 . . . . . . A 44 LEU CA . 19945 1 496 . 1 1 44 44 LEU CB C 13 42.724 . . . . . . A 44 LEU CB . 19945 1 497 . 1 1 44 44 LEU CG C 13 30.238 . . . . . . A 44 LEU CG . 19945 1 498 . 1 1 44 44 LEU CD1 C 13 26.785 . . . . . . A 44 LEU CD1 . 19945 1 499 . 1 1 44 44 LEU CD2 C 13 26.418 . . . . . . A 44 LEU CD2 . 19945 1 500 . 1 1 44 44 LEU N N 15 118.745 . . . . . . A 44 LEU N . 19945 1 501 . 1 1 45 45 GLU H H 1 7.571 . . . . . . A 45 GLU H . 19945 1 502 . 1 1 45 45 GLU HA H 1 3.627 . . . . . . A 45 GLU HA . 19945 1 503 . 1 1 45 45 GLU HB2 H 1 2.007 . . . . . . A 45 GLU HB2 . 19945 1 504 . 1 1 45 45 GLU HG2 H 1 2.453 . . . . . . A 45 GLU HG2 . 19945 1 505 . 1 1 45 45 GLU HG3 H 1 2.092 . . . . . . A 45 GLU HG3 . 19945 1 506 . 1 1 45 45 GLU C C 13 176.988 . . . . . . A 45 GLU C . 19945 1 507 . 1 1 45 45 GLU CA C 13 58.676 . . . . . . A 45 GLU CA . 19945 1 508 . 1 1 45 45 GLU CB C 13 30.238 . . . . . . A 45 GLU CB . 19945 1 509 . 1 1 45 45 GLU CG C 13 37.601 . . . . . . A 45 GLU CG . 19945 1 510 . 1 1 45 45 GLU N N 15 114.280 . . . . . . A 45 GLU N . 19945 1 511 . 1 1 46 46 ALA H H 1 7.026 . . . . . . A 46 ALA H . 19945 1 512 . 1 1 46 46 ALA HA H 1 4.038 . . . . . . A 46 ALA HA . 19945 1 513 . 1 1 46 46 ALA HB1 H 1 1.270 . . . . . . A 46 ALA HB1 . 19945 1 514 . 1 1 46 46 ALA HB2 H 1 1.270 . . . . . . A 46 ALA HB2 . 19945 1 515 . 1 1 46 46 ALA HB3 H 1 1.270 . . . . . . A 46 ALA HB3 . 19945 1 516 . 1 1 46 46 ALA C C 13 176.901 . . . . . . A 46 ALA C . 19945 1 517 . 1 1 46 46 ALA CA C 13 53.319 . . . . . . A 46 ALA CA . 19945 1 518 . 1 1 46 46 ALA CB C 13 19.081 . . . . . . A 46 ALA CB . 19945 1 519 . 1 1 46 46 ALA N N 15 118.860 . . . . . . A 46 ALA N . 19945 1 520 . 1 1 47 47 TYR H H 1 7.277 . . . . . . A 47 TYR H . 19945 1 521 . 1 1 47 47 TYR HA H 1 4.731 . . . . . . A 47 TYR HA . 19945 1 522 . 1 1 47 47 TYR HB2 H 1 3.417 . . . . . . A 47 TYR HB2 . 19945 1 523 . 1 1 47 47 TYR HB3 H 1 2.922 . . . . . . A 47 TYR HB3 . 19945 1 524 . 1 1 47 47 TYR HD2 H 1 7.416 . . . . . . A 47 TYR HD2 . 19945 1 525 . 1 1 47 47 TYR HE2 H 1 6.971 . . . . . . A 47 TYR HE2 . 19945 1 526 . 1 1 47 47 TYR C C 13 175.807 . . . . . . A 47 TYR C . 19945 1 527 . 1 1 47 47 TYR CA C 13 57.607 . . . . . . A 47 TYR CA . 19945 1 528 . 1 1 47 47 TYR CB C 13 41.662 . . . . . . A 47 TYR CB . 19945 1 529 . 1 1 47 47 TYR CD2 C 13 134.800 . . . . . . A 47 TYR CD2 . 19945 1 530 . 1 1 47 47 TYR CE2 C 13 118.000 . . . . . . A 47 TYR CE2 . 19945 1 531 . 1 1 47 47 TYR N N 15 115.674 . . . . . . A 47 TYR N . 19945 1 532 . 1 1 48 48 ASP H H 1 9.546 . . . . . . A 48 ASP H . 19945 1 533 . 1 1 48 48 ASP HA H 1 4.908 . . . . . . A 48 ASP HA . 19945 1 534 . 1 1 48 48 ASP HB2 H 1 2.737 . . . . . . A 48 ASP HB2 . 19945 1 535 . 1 1 48 48 ASP HB3 H 1 3.141 . . . . . . A 48 ASP HB3 . 19945 1 536 . 1 1 48 48 ASP C C 13 175.030 . . . . . . A 48 ASP C . 19945 1 537 . 1 1 48 48 ASP CA C 13 55.208 . . . . . . A 48 ASP CA . 19945 1 538 . 1 1 48 48 ASP CB C 13 41.646 . . . . . . A 48 ASP CB . 19945 1 539 . 1 1 48 48 ASP N N 15 121.598 . . . . . . A 48 ASP N . 19945 1 540 . 1 1 49 49 ILE H H 1 7.331 . . . . . . A 49 ILE H . 19945 1 541 . 1 1 49 49 ILE HA H 1 5.294 . . . . . . A 49 ILE HA . 19945 1 542 . 1 1 49 49 ILE HB H 1 2.085 . . . . . . A 49 ILE HB . 19945 1 543 . 1 1 49 49 ILE HG12 H 1 1.723 . . . . . . A 49 ILE HG12 . 19945 1 544 . 1 1 49 49 ILE HG13 H 1 1.153 . . . . . . A 49 ILE HG13 . 19945 1 545 . 1 1 49 49 ILE HG21 H 1 0.841 . . . . . . A 49 ILE HG21 . 19945 1 546 . 1 1 49 49 ILE HG22 H 1 0.841 . . . . . . A 49 ILE HG22 . 19945 1 547 . 1 1 49 49 ILE HG23 H 1 0.841 . . . . . . A 49 ILE HG23 . 19945 1 548 . 1 1 49 49 ILE HD11 H 1 0.939 . . . . . . A 49 ILE HD11 . 19945 1 549 . 1 1 49 49 ILE HD12 H 1 0.939 . . . . . . A 49 ILE HD12 . 19945 1 550 . 1 1 49 49 ILE HD13 H 1 0.939 . . . . . . A 49 ILE HD13 . 19945 1 551 . 1 1 49 49 ILE C C 13 175.059 . . . . . . A 49 ILE C . 19945 1 552 . 1 1 49 49 ILE CA C 13 60.530 . . . . . . A 49 ILE CA . 19945 1 553 . 1 1 49 49 ILE CB C 13 40.068 . . . . . . A 49 ILE CB . 19945 1 554 . 1 1 49 49 ILE CG1 C 13 27.491 . . . . . . A 49 ILE CG1 . 19945 1 555 . 1 1 49 49 ILE CG2 C 13 19.081 . . . . . . A 49 ILE CG2 . 19945 1 556 . 1 1 49 49 ILE CD1 C 13 14.033 . . . . . . A 49 ILE CD1 . 19945 1 557 . 1 1 49 49 ILE N N 15 119.608 . . . . . . A 49 ILE N . 19945 1 558 . 1 1 50 50 LEU H H 1 9.095 . . . . . . A 50 LEU H . 19945 1 559 . 1 1 50 50 LEU HA H 1 5.660 . . . . . . A 50 LEU HA . 19945 1 560 . 1 1 50 50 LEU HB2 H 1 1.962 . . . . . . A 50 LEU HB2 . 19945 1 561 . 1 1 50 50 LEU HB3 H 1 1.552 . . . . . . A 50 LEU HB3 . 19945 1 562 . 1 1 50 50 LEU HG H 1 1.794 . . . . . . A 50 LEU HG . 19945 1 563 . 1 1 50 50 LEU HD11 H 1 1.349 . . . . . . A 50 LEU HD11 . 19945 1 564 . 1 1 50 50 LEU HD12 H 1 1.349 . . . . . . A 50 LEU HD12 . 19945 1 565 . 1 1 50 50 LEU HD13 H 1 1.349 . . . . . . A 50 LEU HD13 . 19945 1 566 . 1 1 50 50 LEU HD21 H 1 1.077 . . . . . . A 50 LEU HD21 . 19945 1 567 . 1 1 50 50 LEU HD22 H 1 1.077 . . . . . . A 50 LEU HD22 . 19945 1 568 . 1 1 50 50 LEU HD23 H 1 1.077 . . . . . . A 50 LEU HD23 . 19945 1 569 . 1 1 50 50 LEU C C 13 174.598 . . . . . . A 50 LEU C . 19945 1 570 . 1 1 50 50 LEU CA C 13 52.819 . . . . . . A 50 LEU CA . 19945 1 571 . 1 1 50 50 LEU CB C 13 48.037 . . . . . . A 50 LEU CB . 19945 1 572 . 1 1 50 50 LEU CG C 13 26.520 . . . . . . A 50 LEU CG . 19945 1 573 . 1 1 50 50 LEU CD1 C 13 26.780 . . . . . . A 50 LEU CD1 . 19945 1 574 . 1 1 50 50 LEU CD2 C 13 27.051 . . . . . . A 50 LEU CD2 . 19945 1 575 . 1 1 50 50 LEU N N 15 127.901 . . . . . . A 50 LEU N . 19945 1 576 . 1 1 51 51 LEU H H 1 9.275 . . . . . . A 51 LEU H . 19945 1 577 . 1 1 51 51 LEU HA H 1 6.032 . . . . . . A 51 LEU HA . 19945 1 578 . 1 1 51 51 LEU HB2 H 1 1.941 . . . . . . A 51 LEU HB2 . 19945 1 579 . 1 1 51 51 LEU HB3 H 1 1.742 . . . . . . A 51 LEU HB3 . 19945 1 580 . 1 1 51 51 LEU HG H 1 1.801 . . . . . . A 51 LEU HG . 19945 1 581 . 1 1 51 51 LEU HD11 H 1 0.846 . . . . . . A 51 LEU HD11 . 19945 1 582 . 1 1 51 51 LEU HD12 H 1 0.846 . . . . . . A 51 LEU HD12 . 19945 1 583 . 1 1 51 51 LEU HD13 H 1 0.846 . . . . . . A 51 LEU HD13 . 19945 1 584 . 1 1 51 51 LEU HD21 H 1 0.737 . . . . . . A 51 LEU HD21 . 19945 1 585 . 1 1 51 51 LEU HD22 H 1 0.737 . . . . . . A 51 LEU HD22 . 19945 1 586 . 1 1 51 51 LEU HD23 H 1 0.737 . . . . . . A 51 LEU HD23 . 19945 1 587 . 1 1 51 51 LEU C C 13 175.894 . . . . . . A 51 LEU C . 19945 1 588 . 1 1 51 51 LEU CA C 13 53.311 . . . . . . A 51 LEU CA . 19945 1 589 . 1 1 51 51 LEU CB C 13 44.318 . . . . . . A 51 LEU CB . 19945 1 590 . 1 1 51 51 LEU CG C 13 29.441 . . . . . . A 51 LEU CG . 19945 1 591 . 1 1 51 51 LEU CD1 C 13 26.929 . . . . . . A 51 LEU CD1 . 19945 1 592 . 1 1 51 51 LEU CD2 C 13 24.660 . . . . . . A 51 LEU CD2 . 19945 1 593 . 1 1 51 51 LEU N N 15 123.440 . . . . . . A 51 LEU N . 19945 1 594 . 1 1 52 52 LEU H H 1 9.024 . . . . . . A 52 LEU H . 19945 1 595 . 1 1 52 52 LEU HA H 1 5.656 . . . . . . A 52 LEU HA . 19945 1 596 . 1 1 52 52 LEU HB2 H 1 1.134 . . . . . . A 52 LEU HB2 . 19945 1 597 . 1 1 52 52 LEU HB3 H 1 1.892 . . . . . . A 52 LEU HB3 . 19945 1 598 . 1 1 52 52 LEU HG H 1 1.792 . . . . . . A 52 LEU HG . 19945 1 599 . 1 1 52 52 LEU HD11 H 1 0.740 . . . . . . A 52 LEU HD11 . 19945 1 600 . 1 1 52 52 LEU HD12 H 1 0.740 . . . . . . A 52 LEU HD12 . 19945 1 601 . 1 1 52 52 LEU HD13 H 1 0.740 . . . . . . A 52 LEU HD13 . 19945 1 602 . 1 1 52 52 LEU HD21 H 1 1.256 . . . . . . A 52 LEU HD21 . 19945 1 603 . 1 1 52 52 LEU HD22 H 1 1.256 . . . . . . A 52 LEU HD22 . 19945 1 604 . 1 1 52 52 LEU HD23 H 1 1.256 . . . . . . A 52 LEU HD23 . 19945 1 605 . 1 1 52 52 LEU C C 13 173.763 . . . . . . A 52 LEU C . 19945 1 606 . 1 1 52 52 LEU CA C 13 52.877 . . . . . . A 52 LEU CA . 19945 1 607 . 1 1 52 52 LEU CB C 13 41.486 . . . . . . A 52 LEU CB . 19945 1 608 . 1 1 52 52 LEU CG C 13 26.784 . . . . . . A 52 LEU CG . 19945 1 609 . 1 1 52 52 LEU CD1 C 13 25.382 . . . . . . A 52 LEU CD1 . 19945 1 610 . 1 1 52 52 LEU CD2 C 13 24.680 . . . . . . A 52 LEU CD2 . 19945 1 611 . 1 1 52 52 LEU N N 15 123.320 . . . . . . A 52 LEU N . 19945 1 612 . 1 1 53 53 GLY H H 1 9.283 . . . . . . A 53 GLY H . 19945 1 613 . 1 1 53 53 GLY HA2 H 1 4.022 . . . . . . A 53 GLY HA2 . 19945 1 614 . 1 1 53 53 GLY HA3 H 1 1.791 . . . . . . A 53 GLY HA3 . 19945 1 615 . 1 1 53 53 GLY C C 13 174.530 . . . . . . A 53 GLY C . 19945 1 616 . 1 1 53 53 GLY CA C 13 42.989 . . . . . . A 53 GLY CA . 19945 1 617 . 1 1 53 53 GLY N N 15 110.739 . . . . . . A 53 GLY N . 19945 1 618 . 1 1 54 54 ILE H H 1 9.136 . . . . . . A 54 ILE H . 19945 1 619 . 1 1 54 54 ILE HA H 1 5.206 . . . . . . A 54 ILE HA . 19945 1 620 . 1 1 54 54 ILE HB H 1 0.812 . . . . . . A 54 ILE HB . 19945 1 621 . 1 1 54 54 ILE HG12 H 1 0.977 . . . . . . A 54 ILE HG12 . 19945 1 622 . 1 1 54 54 ILE HG21 H 1 0.567 . . . . . . A 54 ILE HG21 . 19945 1 623 . 1 1 54 54 ILE HG22 H 1 0.567 . . . . . . A 54 ILE HG22 . 19945 1 624 . 1 1 54 54 ILE HG23 H 1 0.567 . . . . . . A 54 ILE HG23 . 19945 1 625 . 1 1 54 54 ILE HD11 H 1 0.601 . . . . . . A 54 ILE HD11 . 19945 1 626 . 1 1 54 54 ILE HD12 H 1 0.601 . . . . . . A 54 ILE HD12 . 19945 1 627 . 1 1 54 54 ILE HD13 H 1 0.601 . . . . . . A 54 ILE HD13 . 19945 1 628 . 1 1 54 54 ILE CA C 13 56.007 . . . . . . A 54 ILE CA . 19945 1 629 . 1 1 54 54 ILE CB C 13 42.990 . . . . . . A 54 ILE CB . 19945 1 630 . 1 1 54 54 ILE CG1 C 13 27.466 . . . . . . A 54 ILE CG1 . 19945 1 631 . 1 1 54 54 ILE CG2 C 13 13.502 . . . . . . A 54 ILE CG2 . 19945 1 632 . 1 1 54 54 ILE CD1 C 13 15.000 . . . . . . A 54 ILE CD1 . 19945 1 633 . 1 1 54 54 ILE N N 15 126.032 . . . . . . A 54 ILE N . 19945 1 634 . 1 1 55 55 PRO HA H 1 5.317 . . . . . . A 55 PRO HA . 19945 1 635 . 1 1 55 55 PRO HB2 H 1 2.358 . . . . . . A 55 PRO HB2 . 19945 1 636 . 1 1 55 55 PRO HB3 H 1 1.997 . . . . . . A 55 PRO HB3 . 19945 1 637 . 1 1 55 55 PRO HG2 H 1 3.456 . . . . . . A 55 PRO HG2 . 19945 1 638 . 1 1 55 55 PRO HD2 H 1 4.480 . . . . . . A 55 PRO HD2 . 19945 1 639 . 1 1 55 55 PRO HD3 H 1 3.710 . . . . . . A 55 PRO HD3 . 19945 1 640 . 1 1 55 55 PRO C C 13 174.771 . . . . . . A 55 PRO C . 19945 1 641 . 1 1 55 55 PRO CA C 13 61.748 . . . . . . A 55 PRO CA . 19945 1 642 . 1 1 55 55 PRO CB C 13 33.014 . . . . . . A 55 PRO CB . 19945 1 643 . 1 1 55 55 PRO CG C 13 26.950 . . . . . . A 55 PRO CG . 19945 1 644 . 1 1 55 55 PRO CD C 13 51.900 . . . . . . A 55 PRO CD . 19945 1 645 . 1 1 56 56 THR H H 1 6.599 . . . . . . A 56 THR H . 19945 1 646 . 1 1 56 56 THR HA H 1 4.582 . . . . . . A 56 THR HA . 19945 1 647 . 1 1 56 56 THR HB H 1 3.606 . . . . . . A 56 THR HB . 19945 1 648 . 1 1 56 56 THR HG21 H 1 1.367 . . . . . . A 56 THR HG21 . 19945 1 649 . 1 1 56 56 THR HG22 H 1 1.367 . . . . . . A 56 THR HG22 . 19945 1 650 . 1 1 56 56 THR HG23 H 1 1.367 . . . . . . A 56 THR HG23 . 19945 1 651 . 1 1 56 56 THR C C 13 171.719 . . . . . . A 56 THR C . 19945 1 652 . 1 1 56 56 THR CA C 13 62.383 . . . . . . A 56 THR CA . 19945 1 653 . 1 1 56 56 THR CB C 13 69.692 . . . . . . A 56 THR CB . 19945 1 654 . 1 1 56 56 THR CG2 C 13 22.199 . . . . . . A 56 THR CG2 . 19945 1 655 . 1 1 56 56 THR N N 15 113.710 . . . . . . A 56 THR N . 19945 1 656 . 1 1 57 57 TRP H H 1 8.865 . . . . . . A 57 TRP H . 19945 1 657 . 1 1 57 57 TRP HA H 1 2.626 . . . . . . A 57 TRP HA . 19945 1 658 . 1 1 57 57 TRP HB2 H 1 1.995 . . . . . . A 57 TRP HB2 . 19945 1 659 . 1 1 57 57 TRP HB3 H 1 2.583 . . . . . . A 57 TRP HB3 . 19945 1 660 . 1 1 57 57 TRP HD1 H 1 6.210 . . . . . . A 57 TRP HD1 . 19945 1 661 . 1 1 57 57 TRP HE1 H 1 11.088 . . . . . . A 57 TRP HE1 . 19945 1 662 . 1 1 57 57 TRP HE3 H 1 5.450 . . . . . . A 57 TRP HE3 . 19945 1 663 . 1 1 57 57 TRP HZ2 H 1 7.940 . . . . . . A 57 TRP HZ2 . 19945 1 664 . 1 1 57 57 TRP HZ3 H 1 6.643 . . . . . . A 57 TRP HZ3 . 19945 1 665 . 1 1 57 57 TRP HH2 H 1 7.149 . . . . . . A 57 TRP HH2 . 19945 1 666 . 1 1 57 57 TRP C C 13 172.611 . . . . . . A 57 TRP C . 19945 1 667 . 1 1 57 57 TRP CA C 13 56.275 . . . . . . A 57 TRP CA . 19945 1 668 . 1 1 57 57 TRP CB C 13 34.754 . . . . . . A 57 TRP CB . 19945 1 669 . 1 1 57 57 TRP CD1 C 13 122.160 . . . . . . A 57 TRP CD1 . 19945 1 670 . 1 1 57 57 TRP CE3 C 13 122.960 . . . . . . A 57 TRP CE3 . 19945 1 671 . 1 1 57 57 TRP CZ2 C 13 115.770 . . . . . . A 57 TRP CZ2 . 19945 1 672 . 1 1 57 57 TRP CZ3 C 13 121.300 . . . . . . A 57 TRP CZ3 . 19945 1 673 . 1 1 57 57 TRP CH2 C 13 123.900 . . . . . . A 57 TRP CH2 . 19945 1 674 . 1 1 57 57 TRP N N 15 130.050 . . . . . . A 57 TRP N . 19945 1 675 . 1 1 57 57 TRP NE1 N 15 131.000 . . . . . . A 57 TRP NE1 . 19945 1 676 . 1 1 58 58 TYR H H 1 5.730 . . . . . . A 58 TYR H . 19945 1 677 . 1 1 58 58 TYR HA H 1 4.216 . . . . . . A 58 TYR HA . 19945 1 678 . 1 1 58 58 TYR HB2 H 1 3.261 . . . . . . A 58 TYR HB2 . 19945 1 679 . 1 1 58 58 TYR HB3 H 1 3.003 . . . . . . A 58 TYR HB3 . 19945 1 680 . 1 1 58 58 TYR HD1 H 1 7.323 . . . . . . A 58 TYR HD1 . 19945 1 681 . 1 1 58 58 TYR HE1 H 1 6.913 . . . . . . A 58 TYR HE1 . 19945 1 682 . 1 1 58 58 TYR C C 13 173.619 . . . . . . A 58 TYR C . 19945 1 683 . 1 1 58 58 TYR CA C 13 59.200 . . . . . . A 58 TYR CA . 19945 1 684 . 1 1 58 58 TYR CB C 13 36.200 . . . . . . A 58 TYR CB . 19945 1 685 . 1 1 58 58 TYR CD1 C 13 133.200 . . . . . . A 58 TYR CD1 . 19945 1 686 . 1 1 58 58 TYR CE1 C 13 119.229 . . . . . . A 58 TYR CE1 . 19945 1 687 . 1 1 58 58 TYR N N 15 112.793 . . . . . . A 58 TYR N . 19945 1 688 . 1 1 59 59 TYR H H 1 7.661 . . . . . . A 59 TYR H . 19945 1 689 . 1 1 59 59 TYR HA H 1 3.395 . . . . . . A 59 TYR HA . 19945 1 690 . 1 1 59 59 TYR HB2 H 1 2.168 . . . . . . A 59 TYR HB2 . 19945 1 691 . 1 1 59 59 TYR HB3 H 1 3.434 . . . . . . A 59 TYR HB3 . 19945 1 692 . 1 1 59 59 TYR HD2 H 1 7.060 . . . . . . A 59 TYR HD2 . 19945 1 693 . 1 1 59 59 TYR HE2 H 1 6.910 . . . . . . A 59 TYR HE2 . 19945 1 694 . 1 1 59 59 TYR C C 13 175.865 . . . . . . A 59 TYR C . 19945 1 695 . 1 1 59 59 TYR CA C 13 59.460 . . . . . . A 59 TYR CA . 19945 1 696 . 1 1 59 59 TYR CB C 13 33.610 . . . . . . A 59 TYR CB . 19945 1 697 . 1 1 59 59 TYR CD2 C 13 133.500 . . . . . . A 59 TYR CD2 . 19945 1 698 . 1 1 59 59 TYR CE2 C 13 118.700 . . . . . . A 59 TYR CE2 . 19945 1 699 . 1 1 59 59 TYR N N 15 112.220 . . . . . . A 59 TYR N . 19945 1 700 . 1 1 60 60 GLY H H 1 8.142 . . . . . . A 60 GLY H . 19945 1 701 . 1 1 60 60 GLY HA2 H 1 3.779 . . . . . . A 60 GLY HA2 . 19945 1 702 . 1 1 60 60 GLY HA3 H 1 4.725 . . . . . . A 60 GLY HA3 . 19945 1 703 . 1 1 60 60 GLY C C 13 174.483 . . . . . . A 60 GLY C . 19945 1 704 . 1 1 60 60 GLY CA C 13 46.178 . . . . . . A 60 GLY CA . 19945 1 705 . 1 1 60 60 GLY N N 15 104.550 . . . . . . A 60 GLY N . 19945 1 706 . 1 1 61 61 GLU H H 1 8.307 . . . . . . A 61 GLU H . 19945 1 707 . 1 1 61 61 GLU HA H 1 4.438 . . . . . . A 61 GLU HA . 19945 1 708 . 1 1 61 61 GLU HB2 H 1 2.320 . . . . . . A 61 GLU HB2 . 19945 1 709 . 1 1 61 61 GLU HG2 H 1 2.371 . . . . . . A 61 GLU HG2 . 19945 1 710 . 1 1 61 61 GLU HG3 H 1 2.608 . . . . . . A 61 GLU HG3 . 19945 1 711 . 1 1 61 61 GLU C C 13 175.548 . . . . . . A 61 GLU C . 19945 1 712 . 1 1 61 61 GLU CA C 13 55.476 . . . . . . A 61 GLU CA . 19945 1 713 . 1 1 61 61 GLU CB C 13 30.500 . . . . . . A 61 GLU CB . 19945 1 714 . 1 1 61 61 GLU CG C 13 35.817 . . . . . . A 61 GLU CG . 19945 1 715 . 1 1 61 61 GLU N N 15 120.991 . . . . . . A 61 GLU N . 19945 1 716 . 1 1 62 62 ALA H H 1 8.722 . . . . . . A 62 ALA H . 19945 1 717 . 1 1 62 62 ALA HA H 1 4.206 . . . . . . A 62 ALA HA . 19945 1 718 . 1 1 62 62 ALA HB1 H 1 1.506 . . . . . . A 62 ALA HB1 . 19945 1 719 . 1 1 62 62 ALA HB2 H 1 1.506 . . . . . . A 62 ALA HB2 . 19945 1 720 . 1 1 62 62 ALA HB3 H 1 1.506 . . . . . . A 62 ALA HB3 . 19945 1 721 . 1 1 62 62 ALA C C 13 176.671 . . . . . . A 62 ALA C . 19945 1 722 . 1 1 62 62 ALA CA C 13 51.810 . . . . . . A 62 ALA CA . 19945 1 723 . 1 1 62 62 ALA CB C 13 21.206 . . . . . . A 62 ALA CB . 19945 1 724 . 1 1 62 62 ALA N N 15 122.750 . . . . . . A 62 ALA N . 19945 1 725 . 1 1 63 63 GLN H H 1 6.302 . . . . . . A 63 GLN H . 19945 1 726 . 1 1 63 63 GLN HA H 1 3.886 . . . . . . A 63 GLN HA . 19945 1 727 . 1 1 63 63 GLN C C 13 176.757 . . . . . . A 63 GLN C . 19945 1 728 . 1 1 63 63 GLN CA C 13 57.609 . . . . . . A 63 GLN CA . 19945 1 729 . 1 1 63 63 GLN N N 15 120.579 . . . . . . A 63 GLN N . 19945 1 730 . 1 1 64 64 CYS H H 1 9.091 . . . . . . A 64 CYS H . 19945 1 731 . 1 1 64 64 CYS HA H 1 4.111 . . . . . . A 64 CYS HA . 19945 1 732 . 1 1 64 64 CYS HB2 H 1 2.856 . . . . . . A 64 CYS HB2 . 19945 1 733 . 1 1 64 64 CYS HB3 H 1 3.124 . . . . . . A 64 CYS HB3 . 19945 1 734 . 1 1 64 64 CYS C C 13 174.972 . . . . . . A 64 CYS C . 19945 1 735 . 1 1 64 64 CYS CA C 13 61.489 . . . . . . A 64 CYS CA . 19945 1 736 . 1 1 64 64 CYS CB C 13 27.582 . . . . . . A 64 CYS CB . 19945 1 737 . 1 1 64 64 CYS N N 15 125.487 . . . . . . A 64 CYS N . 19945 1 738 . 1 1 65 65 ASP H H 1 7.093 . . . . . . A 65 ASP H . 19945 1 739 . 1 1 65 65 ASP HA H 1 4.399 . . . . . . A 65 ASP HA . 19945 1 740 . 1 1 65 65 ASP HB2 H 1 2.200 . . . . . . A 65 ASP HB2 . 19945 1 741 . 1 1 65 65 ASP HB3 H 1 2.826 . . . . . . A 65 ASP HB3 . 19945 1 742 . 1 1 65 65 ASP C C 13 179.000 . . . . . . A 65 ASP C . 19945 1 743 . 1 1 65 65 ASP CA C 13 58.132 . . . . . . A 65 ASP CA . 19945 1 744 . 1 1 65 65 ASP CB C 13 41.223 . . . . . . A 65 ASP CB . 19945 1 745 . 1 1 65 65 ASP N N 15 120.298 . . . . . . A 65 ASP N . 19945 1 746 . 1 1 66 66 TRP H H 1 7.394 . . . . . . A 66 TRP H . 19945 1 747 . 1 1 66 66 TRP HA H 1 4.216 . . . . . . A 66 TRP HA . 19945 1 748 . 1 1 66 66 TRP HB2 H 1 3.045 . . . . . . A 66 TRP HB2 . 19945 1 749 . 1 1 66 66 TRP HB3 H 1 2.863 . . . . . . A 66 TRP HB3 . 19945 1 750 . 1 1 66 66 TRP HD1 H 1 7.089 . . . . . . A 66 TRP HD1 . 19945 1 751 . 1 1 66 66 TRP HE1 H 1 9.916 . . . . . . A 66 TRP HE1 . 19945 1 752 . 1 1 66 66 TRP HE3 H 1 7.841 . . . . . . A 66 TRP HE3 . 19945 1 753 . 1 1 66 66 TRP HZ2 H 1 7.270 . . . . . . A 66 TRP HZ2 . 19945 1 754 . 1 1 66 66 TRP HZ3 H 1 7.119 . . . . . . A 66 TRP HZ3 . 19945 1 755 . 1 1 66 66 TRP HH2 H 1 6.882 . . . . . . A 66 TRP HH2 . 19945 1 756 . 1 1 66 66 TRP C C 13 176.930 . . . . . . A 66 TRP C . 19945 1 757 . 1 1 66 66 TRP CA C 13 60.523 . . . . . . A 66 TRP CA . 19945 1 758 . 1 1 66 66 TRP CB C 13 29.961 . . . . . . A 66 TRP CB . 19945 1 759 . 1 1 66 66 TRP CD1 C 13 125.100 . . . . . . A 66 TRP CD1 . 19945 1 760 . 1 1 66 66 TRP CE3 C 13 122.000 . . . . . . A 66 TRP CE3 . 19945 1 761 . 1 1 66 66 TRP CZ2 C 13 114.100 . . . . . . A 66 TRP CZ2 . 19945 1 762 . 1 1 66 66 TRP CZ3 C 13 120.810 . . . . . . A 66 TRP CZ3 . 19945 1 763 . 1 1 66 66 TRP CH2 C 13 119.300 . . . . . . A 66 TRP CH2 . 19945 1 764 . 1 1 66 66 TRP N N 15 122.608 . . . . . . A 66 TRP N . 19945 1 765 . 1 1 66 66 TRP NE1 N 15 128.246 . . . . . . A 66 TRP NE1 . 19945 1 766 . 1 1 67 67 ASP H H 1 8.087 . . . . . . A 67 ASP H . 19945 1 767 . 1 1 67 67 ASP HA H 1 3.525 . . . . . . A 67 ASP HA . 19945 1 768 . 1 1 67 67 ASP HB2 H 1 2.674 . . . . . . A 67 ASP HB2 . 19945 1 769 . 1 1 67 67 ASP HB3 H 1 2.261 . . . . . . A 67 ASP HB3 . 19945 1 770 . 1 1 67 67 ASP C C 13 179.579 . . . . . . A 67 ASP C . 19945 1 771 . 1 1 67 67 ASP CA C 13 57.341 . . . . . . A 67 ASP CA . 19945 1 772 . 1 1 67 67 ASP CB C 13 42.400 . . . . . . A 67 ASP CB . 19945 1 773 . 1 1 67 67 ASP N N 15 118.860 . . . . . . A 67 ASP N . 19945 1 774 . 1 1 68 68 ASP H H 1 8.056 . . . . . . A 68 ASP H . 19945 1 775 . 1 1 68 68 ASP HA H 1 4.356 . . . . . . A 68 ASP HA . 19945 1 776 . 1 1 68 68 ASP HB2 H 1 2.822 . . . . . . A 68 ASP HB2 . 19945 1 777 . 1 1 68 68 ASP HB3 H 1 2.712 . . . . . . A 68 ASP HB3 . 19945 1 778 . 1 1 68 68 ASP C C 13 176.873 . . . . . . A 68 ASP C . 19945 1 779 . 1 1 68 68 ASP CA C 13 56.255 . . . . . . A 68 ASP CA . 19945 1 780 . 1 1 68 68 ASP CB C 13 40.807 . . . . . . A 68 ASP CB . 19945 1 781 . 1 1 68 68 ASP N N 15 116.220 . . . . . . A 68 ASP N . 19945 1 782 . 1 1 69 69 PHE H H 1 7.659 . . . . . . A 69 PHE H . 19945 1 783 . 1 1 69 69 PHE HA H 1 4.363 . . . . . . A 69 PHE HA . 19945 1 784 . 1 1 69 69 PHE HB2 H 1 3.037 . . . . . . A 69 PHE HB2 . 19945 1 785 . 1 1 69 69 PHE HD1 H 1 7.229 . . . . . . A 69 PHE HD1 . 19945 1 786 . 1 1 69 69 PHE HE1 H 1 6.975 . . . . . . A 69 PHE HE1 . 19945 1 787 . 1 1 69 69 PHE HZ H 1 6.616 . . . . . . A 69 PHE HZ . 19945 1 788 . 1 1 69 69 PHE C C 13 177.103 . . . . . . A 69 PHE C . 19945 1 789 . 1 1 69 69 PHE CA C 13 58.929 . . . . . . A 69 PHE CA . 19945 1 790 . 1 1 69 69 PHE CB C 13 41.530 . . . . . . A 69 PHE CB . 19945 1 791 . 1 1 69 69 PHE CD1 C 13 133.190 . . . . . . A 69 PHE CD1 . 19945 1 792 . 1 1 69 69 PHE CE1 C 13 129.600 . . . . . . A 69 PHE CE1 . 19945 1 793 . 1 1 69 69 PHE CZ C 13 128.650 . . . . . . A 69 PHE CZ . 19945 1 794 . 1 1 69 69 PHE N N 15 120.493 . . . . . . A 69 PHE N . 19945 1 795 . 1 1 70 70 PHE H H 1 8.197 . . . . . . A 70 PHE H . 19945 1 796 . 1 1 70 70 PHE HA H 1 5.018 . . . . . . A 70 PHE HA . 19945 1 797 . 1 1 70 70 PHE HB2 H 1 3.657 . . . . . . A 70 PHE HB2 . 19945 1 798 . 1 1 70 70 PHE HB3 H 1 3.393 . . . . . . A 70 PHE HB3 . 19945 1 799 . 1 1 70 70 PHE HD1 H 1 7.389 . . . . . . A 70 PHE HD1 . 19945 1 800 . 1 1 70 70 PHE HE1 H 1 7.099 . . . . . . A 70 PHE HE1 . 19945 1 801 . 1 1 70 70 PHE HZ H 1 6.625 . . . . . . A 70 PHE HZ . 19945 1 802 . 1 1 70 70 PHE C C 13 174.396 . . . . . . A 70 PHE C . 19945 1 803 . 1 1 70 70 PHE CA C 13 59.123 . . . . . . A 70 PHE CA . 19945 1 804 . 1 1 70 70 PHE CB C 13 34.755 . . . . . . A 70 PHE CB . 19945 1 805 . 1 1 70 70 PHE CD1 C 13 130.700 . . . . . . A 70 PHE CD1 . 19945 1 806 . 1 1 70 70 PHE CE1 C 13 130.690 . . . . . . A 70 PHE CE1 . 19945 1 807 . 1 1 70 70 PHE CZ C 13 127.070 . . . . . . A 70 PHE CZ . 19945 1 808 . 1 1 70 70 PHE N N 15 122.293 . . . . . . A 70 PHE N . 19945 1 809 . 1 1 71 71 PRO HA H 1 4.398 . . . . . . A 71 PRO HA . 19945 1 810 . 1 1 71 71 PRO HB2 H 1 1.828 . . . . . . A 71 PRO HB2 . 19945 1 811 . 1 1 71 71 PRO HB3 H 1 2.388 . . . . . . A 71 PRO HB3 . 19945 1 812 . 1 1 71 71 PRO HG2 H 1 2.143 . . . . . . A 71 PRO HG2 . 19945 1 813 . 1 1 71 71 PRO HG3 H 1 2.056 . . . . . . A 71 PRO HG3 . 19945 1 814 . 1 1 71 71 PRO HD2 H 1 3.863 . . . . . . A 71 PRO HD2 . 19945 1 815 . 1 1 71 71 PRO HD3 H 1 3.675 . . . . . . A 71 PRO HD3 . 19945 1 816 . 1 1 71 71 PRO C C 13 179.118 . . . . . . A 71 PRO C . 19945 1 817 . 1 1 71 71 PRO CA C 13 66.367 . . . . . . A 71 PRO CA . 19945 1 818 . 1 1 71 71 PRO CB C 13 30.930 . . . . . . A 71 PRO CB . 19945 1 819 . 1 1 71 71 PRO CG C 13 28.545 . . . . . . A 71 PRO CG . 19945 1 820 . 1 1 71 71 PRO CD C 13 50.428 . . . . . . A 71 PRO CD . 19945 1 821 . 1 1 72 72 THR H H 1 7.534 . . . . . . A 72 THR H . 19945 1 822 . 1 1 72 72 THR HA H 1 3.816 . . . . . . A 72 THR HA . 19945 1 823 . 1 1 72 72 THR HB H 1 3.006 . . . . . . A 72 THR HB . 19945 1 824 . 1 1 72 72 THR HG21 H 1 0.828 . . . . . . A 72 THR HG21 . 19945 1 825 . 1 1 72 72 THR HG22 H 1 0.828 . . . . . . A 72 THR HG22 . 19945 1 826 . 1 1 72 72 THR HG23 H 1 0.828 . . . . . . A 72 THR HG23 . 19945 1 827 . 1 1 72 72 THR C C 13 176.498 . . . . . . A 72 THR C . 19945 1 828 . 1 1 72 72 THR CA C 13 65.803 . . . . . . A 72 THR CA . 19945 1 829 . 1 1 72 72 THR CB C 13 67.203 . . . . . . A 72 THR CB . 19945 1 830 . 1 1 72 72 THR CG2 C 13 23.300 . . . . . . A 72 THR CG2 . 19945 1 831 . 1 1 72 72 THR N N 15 114.461 . . . . . . A 72 THR N . 19945 1 832 . 1 1 73 73 LEU H H 1 8.123 . . . . . . A 73 LEU H . 19945 1 833 . 1 1 73 73 LEU HA H 1 4.090 . . . . . . A 73 LEU HA . 19945 1 834 . 1 1 73 73 LEU HB2 H 1 2.437 . . . . . . A 73 LEU HB2 . 19945 1 835 . 1 1 73 73 LEU HB3 H 1 2.044 . . . . . . A 73 LEU HB3 . 19945 1 836 . 1 1 73 73 LEU HG H 1 2.069 . . . . . . A 73 LEU HG . 19945 1 837 . 1 1 73 73 LEU HD11 H 1 1.140 . . . . . . A 73 LEU HD11 . 19945 1 838 . 1 1 73 73 LEU HD12 H 1 1.140 . . . . . . A 73 LEU HD12 . 19945 1 839 . 1 1 73 73 LEU HD13 H 1 1.140 . . . . . . A 73 LEU HD13 . 19945 1 840 . 1 1 73 73 LEU HD21 H 1 1.415 . . . . . . A 73 LEU HD21 . 19945 1 841 . 1 1 73 73 LEU HD22 H 1 1.415 . . . . . . A 73 LEU HD22 . 19945 1 842 . 1 1 73 73 LEU HD23 H 1 1.415 . . . . . . A 73 LEU HD23 . 19945 1 843 . 1 1 73 73 LEU C C 13 177.996 . . . . . . A 73 LEU C . 19945 1 844 . 1 1 73 73 LEU CA C 13 58.151 . . . . . . A 73 LEU CA . 19945 1 845 . 1 1 73 73 LEU CB C 13 43.786 . . . . . . A 73 LEU CB . 19945 1 846 . 1 1 73 73 LEU CG C 13 26.785 . . . . . . A 73 LEU CG . 19945 1 847 . 1 1 73 73 LEU CD1 C 13 26.628 . . . . . . A 73 LEU CD1 . 19945 1 848 . 1 1 73 73 LEU CD2 C 13 25.622 . . . . . . A 73 LEU CD2 . 19945 1 849 . 1 1 73 73 LEU N N 15 124.812 . . . . . . A 73 LEU N . 19945 1 850 . 1 1 74 74 GLU H H 1 7.933 . . . . . . A 74 GLU H . 19945 1 851 . 1 1 74 74 GLU HA H 1 3.825 . . . . . . A 74 GLU HA . 19945 1 852 . 1 1 74 74 GLU HB2 H 1 2.145 . . . . . . A 74 GLU HB2 . 19945 1 853 . 1 1 74 74 GLU HG2 H 1 2.173 . . . . . . A 74 GLU HG2 . 19945 1 854 . 1 1 74 74 GLU HG3 H 1 2.598 . . . . . . A 74 GLU HG3 . 19945 1 855 . 1 1 74 74 GLU C C 13 176.930 . . . . . . A 74 GLU C . 19945 1 856 . 1 1 74 74 GLU CA C 13 57.675 . . . . . . A 74 GLU CA . 19945 1 857 . 1 1 74 74 GLU CB C 13 30.021 . . . . . . A 74 GLU CB . 19945 1 858 . 1 1 74 74 GLU CG C 13 37.234 . . . . . . A 74 GLU CG . 19945 1 859 . 1 1 74 74 GLU N N 15 111.877 . . . . . . A 74 GLU N . 19945 1 860 . 1 1 75 75 GLU H H 1 7.659 . . . . . . A 75 GLU H . 19945 1 861 . 1 1 75 75 GLU HA H 1 4.347 . . . . . . A 75 GLU HA . 19945 1 862 . 1 1 75 75 GLU HB2 H 1 2.176 . . . . . . A 75 GLU HB2 . 19945 1 863 . 1 1 75 75 GLU HG2 H 1 2.269 . . . . . . A 75 GLU HG2 . 19945 1 864 . 1 1 75 75 GLU HG3 H 1 2.623 . . . . . . A 75 GLU HG3 . 19945 1 865 . 1 1 75 75 GLU C C 13 177.045 . . . . . . A 75 GLU C . 19945 1 866 . 1 1 75 75 GLU CA C 13 56.026 . . . . . . A 75 GLU CA . 19945 1 867 . 1 1 75 75 GLU CB C 13 30.509 . . . . . . A 75 GLU CB . 19945 1 868 . 1 1 75 75 GLU CG C 13 36.083 . . . . . . A 75 GLU CG . 19945 1 869 . 1 1 75 75 GLU N N 15 116.571 . . . . . . A 75 GLU N . 19945 1 870 . 1 1 76 76 ILE H H 1 7.468 . . . . . . A 76 ILE H . 19945 1 871 . 1 1 76 76 ILE HA H 1 3.777 . . . . . . A 76 ILE HA . 19945 1 872 . 1 1 76 76 ILE HB H 1 1.920 . . . . . . A 76 ILE HB . 19945 1 873 . 1 1 76 76 ILE HG12 H 1 0.922 . . . . . . A 76 ILE HG12 . 19945 1 874 . 1 1 76 76 ILE HG13 H 1 1.912 . . . . . . A 76 ILE HG13 . 19945 1 875 . 1 1 76 76 ILE HG21 H 1 -0.115 . . . . . . A 76 ILE HG21 . 19945 1 876 . 1 1 76 76 ILE HG22 H 1 -0.115 . . . . . . A 76 ILE HG22 . 19945 1 877 . 1 1 76 76 ILE HG23 H 1 -0.115 . . . . . . A 76 ILE HG23 . 19945 1 878 . 1 1 76 76 ILE HD11 H 1 0.959 . . . . . . A 76 ILE HD11 . 19945 1 879 . 1 1 76 76 ILE HD12 H 1 0.959 . . . . . . A 76 ILE HD12 . 19945 1 880 . 1 1 76 76 ILE HD13 H 1 0.959 . . . . . . A 76 ILE HD13 . 19945 1 881 . 1 1 76 76 ILE C C 13 174.656 . . . . . . A 76 ILE C . 19945 1 882 . 1 1 76 76 ILE CA C 13 62.074 . . . . . . A 76 ILE CA . 19945 1 883 . 1 1 76 76 ILE CB C 13 39.005 . . . . . . A 76 ILE CB . 19945 1 884 . 1 1 76 76 ILE CG1 C 13 28.349 . . . . . . A 76 ILE CG1 . 19945 1 885 . 1 1 76 76 ILE CG2 C 13 15.294 . . . . . . A 76 ILE CG2 . 19945 1 886 . 1 1 76 76 ILE CD1 C 13 15.401 . . . . . . A 76 ILE CD1 . 19945 1 887 . 1 1 76 76 ILE N N 15 123.080 . . . . . . A 76 ILE N . 19945 1 888 . 1 1 77 77 ASP H H 1 8.605 . . . . . . A 77 ASP H . 19945 1 889 . 1 1 77 77 ASP HA H 1 4.813 . . . . . . A 77 ASP HA . 19945 1 890 . 1 1 77 77 ASP HB2 H 1 2.655 . . . . . . A 77 ASP HB2 . 19945 1 891 . 1 1 77 77 ASP HB3 H 1 2.919 . . . . . . A 77 ASP HB3 . 19945 1 892 . 1 1 77 77 ASP C C 13 176.614 . . . . . . A 77 ASP C . 19945 1 893 . 1 1 77 77 ASP CA C 13 53.141 . . . . . . A 77 ASP CA . 19945 1 894 . 1 1 77 77 ASP CB C 13 40.865 . . . . . . A 77 ASP CB . 19945 1 895 . 1 1 77 77 ASP N N 15 126.540 . . . . . . A 77 ASP N . 19945 1 896 . 1 1 78 78 PHE H H 1 8.053 . . . . . . A 78 PHE H . 19945 1 897 . 1 1 78 78 PHE HA H 1 4.160 . . . . . . A 78 PHE HA . 19945 1 898 . 1 1 78 78 PHE HB2 H 1 2.592 . . . . . . A 78 PHE HB2 . 19945 1 899 . 1 1 78 78 PHE HB3 H 1 3.167 . . . . . . A 78 PHE HB3 . 19945 1 900 . 1 1 78 78 PHE HD2 H 1 7.110 . . . . . . A 78 PHE HD2 . 19945 1 901 . 1 1 78 78 PHE HE2 H 1 7.370 . . . . . . A 78 PHE HE2 . 19945 1 902 . 1 1 78 78 PHE C C 13 175.347 . . . . . . A 78 PHE C . 19945 1 903 . 1 1 78 78 PHE CA C 13 59.142 . . . . . . A 78 PHE CA . 19945 1 904 . 1 1 78 78 PHE CB C 13 40.168 . . . . . . A 78 PHE CB . 19945 1 905 . 1 1 78 78 PHE CD2 C 13 132.190 . . . . . . A 78 PHE CD2 . 19945 1 906 . 1 1 78 78 PHE CE2 C 13 132.940 . . . . . . A 78 PHE CE2 . 19945 1 907 . 1 1 78 78 PHE N N 15 124.583 . . . . . . A 78 PHE N . 19945 1 908 . 1 1 79 79 ASN H H 1 8.695 . . . . . . A 79 ASN H . 19945 1 909 . 1 1 79 79 ASN HA H 1 4.517 . . . . . . A 79 ASN HA . 19945 1 910 . 1 1 79 79 ASN HB2 H 1 3.099 . . . . . . A 79 ASN HB2 . 19945 1 911 . 1 1 79 79 ASN HB3 H 1 2.643 . . . . . . A 79 ASN HB3 . 19945 1 912 . 1 1 79 79 ASN HD21 H 1 7.012 . . . . . . A 79 ASN HD21 . 19945 1 913 . 1 1 79 79 ASN HD22 H 1 8.631 . . . . . . A 79 ASN HD22 . 19945 1 914 . 1 1 79 79 ASN C C 13 176.815 . . . . . . A 79 ASN C . 19945 1 915 . 1 1 79 79 ASN CA C 13 56.452 . . . . . . A 79 ASN CA . 19945 1 916 . 1 1 79 79 ASN CB C 13 38.739 . . . . . . A 79 ASN CB . 19945 1 917 . 1 1 79 79 ASN CG C 13 177.161 . . . . . . A 79 ASN CG . 19945 1 918 . 1 1 79 79 ASN N N 15 121.321 . . . . . . A 79 ASN N . 19945 1 919 . 1 1 79 79 ASN ND2 N 15 117.588 . . . . . . A 79 ASN ND2 . 19945 1 920 . 1 1 80 80 GLY H H 1 8.646 . . . . . . A 80 GLY H . 19945 1 921 . 1 1 80 80 GLY HA2 H 1 3.812 . . . . . . A 80 GLY HA2 . 19945 1 922 . 1 1 80 80 GLY HA3 H 1 4.303 . . . . . . A 80 GLY HA3 . 19945 1 923 . 1 1 80 80 GLY C C 13 174.195 . . . . . . A 80 GLY C . 19945 1 924 . 1 1 80 80 GLY CA C 13 45.646 . . . . . . A 80 GLY CA . 19945 1 925 . 1 1 80 80 GLY N N 15 114.150 . . . . . . A 80 GLY N . 19945 1 926 . 1 1 81 81 LYS H H 1 8.295 . . . . . . A 81 LYS H . 19945 1 927 . 1 1 81 81 LYS HA H 1 5.037 . . . . . . A 81 LYS HA . 19945 1 928 . 1 1 81 81 LYS HB2 H 1 2.228 . . . . . . A 81 LYS HB2 . 19945 1 929 . 1 1 81 81 LYS HB3 H 1 1.610 . . . . . . A 81 LYS HB3 . 19945 1 930 . 1 1 81 81 LYS HG2 H 1 1.553 . . . . . . A 81 LYS HG2 . 19945 1 931 . 1 1 81 81 LYS HG3 H 1 1.363 . . . . . . A 81 LYS HG3 . 19945 1 932 . 1 1 81 81 LYS HD2 H 1 1.879 . . . . . . A 81 LYS HD2 . 19945 1 933 . 1 1 81 81 LYS HD3 H 1 1.499 . . . . . . A 81 LYS HD3 . 19945 1 934 . 1 1 81 81 LYS HE2 H 1 2.283 . . . . . . A 81 LYS HE2 . 19945 1 935 . 1 1 81 81 LYS HE3 H 1 2.403 . . . . . . A 81 LYS HE3 . 19945 1 936 . 1 1 81 81 LYS C C 13 176.268 . . . . . . A 81 LYS C . 19945 1 937 . 1 1 81 81 LYS CA C 13 55.996 . . . . . . A 81 LYS CA . 19945 1 938 . 1 1 81 81 LYS CB C 13 33.955 . . . . . . A 81 LYS CB . 19945 1 939 . 1 1 81 81 LYS CG C 13 25.949 . . . . . . A 81 LYS CG . 19945 1 940 . 1 1 81 81 LYS CD C 13 29.546 . . . . . . A 81 LYS CD . 19945 1 941 . 1 1 81 81 LYS CE C 13 42.416 . . . . . . A 81 LYS CE . 19945 1 942 . 1 1 81 81 LYS N N 15 119.318 . . . . . . A 81 LYS N . 19945 1 943 . 1 1 82 82 LEU H H 1 8.407 . . . . . . A 82 LEU H . 19945 1 944 . 1 1 82 82 LEU HA H 1 5.230 . . . . . . A 82 LEU HA . 19945 1 945 . 1 1 82 82 LEU HB2 H 1 1.365 . . . . . . A 82 LEU HB2 . 19945 1 946 . 1 1 82 82 LEU HB3 H 1 1.911 . . . . . . A 82 LEU HB3 . 19945 1 947 . 1 1 82 82 LEU HG H 1 1.850 . . . . . . A 82 LEU HG . 19945 1 948 . 1 1 82 82 LEU HD11 H 1 1.042 . . . . . . A 82 LEU HD11 . 19945 1 949 . 1 1 82 82 LEU HD12 H 1 1.042 . . . . . . A 82 LEU HD12 . 19945 1 950 . 1 1 82 82 LEU HD13 H 1 1.042 . . . . . . A 82 LEU HD13 . 19945 1 951 . 1 1 82 82 LEU HD21 H 1 0.975 . . . . . . A 82 LEU HD21 . 19945 1 952 . 1 1 82 82 LEU HD22 H 1 0.975 . . . . . . A 82 LEU HD22 . 19945 1 953 . 1 1 82 82 LEU HD23 H 1 0.975 . . . . . . A 82 LEU HD23 . 19945 1 954 . 1 1 82 82 LEU C C 13 175.347 . . . . . . A 82 LEU C . 19945 1 955 . 1 1 82 82 LEU CA C 13 53.804 . . . . . . A 82 LEU CA . 19945 1 956 . 1 1 82 82 LEU CB C 13 44.151 . . . . . . A 82 LEU CB . 19945 1 957 . 1 1 82 82 LEU CG C 13 27.582 . . . . . . A 82 LEU CG . 19945 1 958 . 1 1 82 82 LEU CD1 C 13 25.739 . . . . . . A 82 LEU CD1 . 19945 1 959 . 1 1 82 82 LEU CD2 C 13 23.661 . . . . . . A 82 LEU CD2 . 19945 1 960 . 1 1 82 82 LEU N N 15 127.000 . . . . . . A 82 LEU N . 19945 1 961 . 1 1 83 83 VAL H H 1 8.960 . . . . . . A 83 VAL H . 19945 1 962 . 1 1 83 83 VAL HA H 1 5.840 . . . . . . A 83 VAL HA . 19945 1 963 . 1 1 83 83 VAL HB H 1 1.638 . . . . . . A 83 VAL HB . 19945 1 964 . 1 1 83 83 VAL HG11 H 1 0.895 . . . . . . A 83 VAL HG11 . 19945 1 965 . 1 1 83 83 VAL HG12 H 1 0.895 . . . . . . A 83 VAL HG12 . 19945 1 966 . 1 1 83 83 VAL HG13 H 1 0.895 . . . . . . A 83 VAL HG13 . 19945 1 967 . 1 1 83 83 VAL HG21 H 1 0.988 . . . . . . A 83 VAL HG21 . 19945 1 968 . 1 1 83 83 VAL HG22 H 1 0.988 . . . . . . A 83 VAL HG22 . 19945 1 969 . 1 1 83 83 VAL HG23 H 1 0.988 . . . . . . A 83 VAL HG23 . 19945 1 970 . 1 1 83 83 VAL C C 13 173.417 . . . . . . A 83 VAL C . 19945 1 971 . 1 1 83 83 VAL CA C 13 59.202 . . . . . . A 83 VAL CA . 19945 1 972 . 1 1 83 83 VAL CB C 13 36.348 . . . . . . A 83 VAL CB . 19945 1 973 . 1 1 83 83 VAL CG1 C 13 22.003 . . . . . . A 83 VAL CG1 . 19945 1 974 . 1 1 83 83 VAL CG2 C 13 22.003 . . . . . . A 83 VAL CG2 . 19945 1 975 . 1 1 83 83 VAL N N 15 121.665 . . . . . . A 83 VAL N . 19945 1 976 . 1 1 84 84 ALA H H 1 9.021 . . . . . . A 84 ALA H . 19945 1 977 . 1 1 84 84 ALA HA H 1 5.333 . . . . . . A 84 ALA HA . 19945 1 978 . 1 1 84 84 ALA HB1 H 1 1.511 . . . . . . A 84 ALA HB1 . 19945 1 979 . 1 1 84 84 ALA HB2 H 1 1.511 . . . . . . A 84 ALA HB2 . 19945 1 980 . 1 1 84 84 ALA HB3 H 1 1.511 . . . . . . A 84 ALA HB3 . 19945 1 981 . 1 1 84 84 ALA C C 13 175.231 . . . . . . A 84 ALA C . 19945 1 982 . 1 1 84 84 ALA CA C 13 50.428 . . . . . . A 84 ALA CA . 19945 1 983 . 1 1 84 84 ALA CB C 13 24.128 . . . . . . A 84 ALA CB . 19945 1 984 . 1 1 84 84 ALA N N 15 128.017 . . . . . . A 84 ALA N . 19945 1 985 . 1 1 85 85 LEU H H 1 11.134 . . . . . . A 85 LEU H . 19945 1 986 . 1 1 85 85 LEU HA H 1 5.612 . . . . . . A 85 LEU HA . 19945 1 987 . 1 1 85 85 LEU HB2 H 1 1.699 . . . . . . A 85 LEU HB2 . 19945 1 988 . 1 1 85 85 LEU HB3 H 1 1.168 . . . . . . A 85 LEU HB3 . 19945 1 989 . 1 1 85 85 LEU HG H 1 1.731 . . . . . . A 85 LEU HG . 19945 1 990 . 1 1 85 85 LEU HD11 H 1 0.778 . . . . . . A 85 LEU HD11 . 19945 1 991 . 1 1 85 85 LEU HD12 H 1 0.778 . . . . . . A 85 LEU HD12 . 19945 1 992 . 1 1 85 85 LEU HD13 H 1 0.778 . . . . . . A 85 LEU HD13 . 19945 1 993 . 1 1 85 85 LEU C C 13 174.454 . . . . . . A 85 LEU C . 19945 1 994 . 1 1 85 85 LEU CA C 13 52.973 . . . . . . A 85 LEU CA . 19945 1 995 . 1 1 85 85 LEU CB C 13 45.912 . . . . . . A 85 LEU CB . 19945 1 996 . 1 1 85 85 LEU CG C 13 27.582 . . . . . . A 85 LEU CG . 19945 1 997 . 1 1 85 85 LEU CD1 C 13 25.990 . . . . . . A 85 LEU CD1 . 19945 1 998 . 1 1 85 85 LEU N N 15 124.220 . . . . . . A 85 LEU N . 19945 1 999 . 1 1 86 86 PHE H H 1 8.829 . . . . . . A 86 PHE H . 19945 1 1000 . 1 1 86 86 PHE HA H 1 5.222 . . . . . . A 86 PHE HA . 19945 1 1001 . 1 1 86 86 PHE HB2 H 1 2.464 . . . . . . A 86 PHE HB2 . 19945 1 1002 . 1 1 86 86 PHE HB3 H 1 2.147 . . . . . . A 86 PHE HB3 . 19945 1 1003 . 1 1 86 86 PHE HD1 H 1 7.021 . . . . . . A 86 PHE HD1 . 19945 1 1004 . 1 1 86 86 PHE C C 13 173.619 . . . . . . A 86 PHE C . 19945 1 1005 . 1 1 86 86 PHE CA C 13 54.678 . . . . . . A 86 PHE CA . 19945 1 1006 . 1 1 86 86 PHE CB C 13 42.980 . . . . . . A 86 PHE CB . 19945 1 1007 . 1 1 86 86 PHE CD1 C 13 132.180 . . . . . . A 86 PHE CD1 . 19945 1 1008 . 1 1 86 86 PHE N N 15 114.461 . . . . . . A 86 PHE N . 19945 1 1009 . 1 1 87 87 GLY H H 1 8.496 . . . . . . A 87 GLY H . 19945 1 1010 . 1 1 87 87 GLY HA2 H 1 4.012 . . . . . . A 87 GLY HA2 . 19945 1 1011 . 1 1 87 87 GLY HA3 H 1 3.626 . . . . . . A 87 GLY HA3 . 19945 1 1012 . 1 1 87 87 GLY C C 13 170.423 . . . . . . A 87 GLY C . 19945 1 1013 . 1 1 87 87 GLY CA C 13 45.930 . . . . . . A 87 GLY CA . 19945 1 1014 . 1 1 87 87 GLY N N 15 104.437 . . . . . . A 87 GLY N . 19945 1 1015 . 1 1 88 88 CYS H H 1 5.354 . . . . . . A 88 CYS H . 19945 1 1016 . 1 1 88 88 CYS HA H 1 6.003 . . . . . . A 88 CYS HA . 19945 1 1017 . 1 1 88 88 CYS HB2 H 1 3.156 . . . . . . A 88 CYS HB2 . 19945 1 1018 . 1 1 88 88 CYS HB3 H 1 2.803 . . . . . . A 88 CYS HB3 . 19945 1 1019 . 1 1 88 88 CYS C C 13 174.425 . . . . . . A 88 CYS C . 19945 1 1020 . 1 1 88 88 CYS CA C 13 56.538 . . . . . . A 88 CYS CA . 19945 1 1021 . 1 1 88 88 CYS CB C 13 31.301 . . . . . . A 88 CYS CB . 19945 1 1022 . 1 1 88 88 CYS N N 15 114.166 . . . . . . A 88 CYS N . 19945 1 1023 . 1 1 89 89 GLY H H 1 8.404 . . . . . . A 89 GLY H . 19945 1 1024 . 1 1 89 89 GLY HA2 H 1 5.301 . . . . . . A 89 GLY HA2 . 19945 1 1025 . 1 1 89 89 GLY HA3 H 1 4.306 . . . . . . A 89 GLY HA3 . 19945 1 1026 . 1 1 89 89 GLY C C 13 173.187 . . . . . . A 89 GLY C . 19945 1 1027 . 1 1 89 89 GLY CA C 13 46.443 . . . . . . A 89 GLY CA . 19945 1 1028 . 1 1 89 89 GLY N N 15 109.463 . . . . . . A 89 GLY N . 19945 1 1029 . 1 1 90 90 ASP H H 1 8.698 . . . . . . A 90 ASP H . 19945 1 1030 . 1 1 90 90 ASP HA H 1 5.799 . . . . . . A 90 ASP HA . 19945 1 1031 . 1 1 90 90 ASP HB2 H 1 2.863 . . . . . . A 90 ASP HB2 . 19945 1 1032 . 1 1 90 90 ASP HB3 H 1 3.181 . . . . . . A 90 ASP HB3 . 19945 1 1033 . 1 1 90 90 ASP C C 13 176.095 . . . . . . A 90 ASP C . 19945 1 1034 . 1 1 90 90 ASP CA C 13 52.553 . . . . . . A 90 ASP CA . 19945 1 1035 . 1 1 90 90 ASP CB C 13 43.255 . . . . . . A 90 ASP CB . 19945 1 1036 . 1 1 90 90 ASP N N 15 123.090 . . . . . . A 90 ASP N . 19945 1 1037 . 1 1 91 91 GLN H H 1 9.675 . . . . . . A 91 GLN H . 19945 1 1038 . 1 1 91 91 GLN HA H 1 3.696 . . . . . . A 91 GLN HA . 19945 1 1039 . 1 1 91 91 GLN HB2 H 1 2.161 . . . . . . A 91 GLN HB2 . 19945 1 1040 . 1 1 91 91 GLN HB3 H 1 0.485 . . . . . . A 91 GLN HB3 . 19945 1 1041 . 1 1 91 91 GLN HG2 H 1 1.792 . . . . . . A 91 GLN HG2 . 19945 1 1042 . 1 1 91 91 GLN HG3 H 1 2.175 . . . . . . A 91 GLN HG3 . 19945 1 1043 . 1 1 91 91 GLN HE21 H 1 6.467 . . . . . . A 91 GLN HE21 . 19945 1 1044 . 1 1 91 91 GLN HE22 H 1 9.594 . . . . . . A 91 GLN HE22 . 19945 1 1045 . 1 1 91 91 GLN C C 13 173.639 . . . . . . A 91 GLN C . 19945 1 1046 . 1 1 91 91 GLN CA C 13 57.060 . . . . . . A 91 GLN CA . 19945 1 1047 . 1 1 91 91 GLN CB C 13 29.441 . . . . . . A 91 GLN CB . 19945 1 1048 . 1 1 91 91 GLN CG C 13 32.879 . . . . . . A 91 GLN CG . 19945 1 1049 . 1 1 91 91 GLN CD C 13 181.105 . . . . . . A 91 GLN CD . 19945 1 1050 . 1 1 91 91 GLN N N 15 123.780 . . . . . . A 91 GLN N . 19945 1 1051 . 1 1 91 91 GLN NE2 N 15 111.492 . . . . . . A 91 GLN NE2 . 19945 1 1052 . 1 1 92 92 GLU H H 1 8.396 . . . . . . A 92 GLU H . 19945 1 1053 . 1 1 92 92 GLU HA H 1 4.591 . . . . . . A 92 GLU HA . 19945 1 1054 . 1 1 92 92 GLU HB2 H 1 1.793 . . . . . . A 92 GLU HB2 . 19945 1 1055 . 1 1 92 92 GLU HB3 H 1 2.044 . . . . . . A 92 GLU HB3 . 19945 1 1056 . 1 1 92 92 GLU HG2 H 1 2.182 . . . . . . A 92 GLU HG2 . 19945 1 1057 . 1 1 92 92 GLU HG3 H 1 2.327 . . . . . . A 92 GLU HG3 . 19945 1 1058 . 1 1 92 92 GLU C C 13 177.247 . . . . . . A 92 GLU C . 19945 1 1059 . 1 1 92 92 GLU CA C 13 57.336 . . . . . . A 92 GLU CA . 19945 1 1060 . 1 1 92 92 GLU CB C 13 30.770 . . . . . . A 92 GLU CB . 19945 1 1061 . 1 1 92 92 GLU CG C 13 36.576 . . . . . . A 92 GLU CG . 19945 1 1062 . 1 1 92 92 GLU N N 15 118.631 . . . . . . A 92 GLU N . 19945 1 1063 . 1 1 93 93 ASP H H 1 7.779 . . . . . . A 93 ASP H . 19945 1 1064 . 1 1 93 93 ASP HA H 1 4.282 . . . . . . A 93 ASP HA . 19945 1 1065 . 1 1 93 93 ASP HB2 H 1 2.287 . . . . . . A 93 ASP HB2 . 19945 1 1066 . 1 1 93 93 ASP HB3 H 1 1.619 . . . . . . A 93 ASP HB3 . 19945 1 1067 . 1 1 93 93 ASP C C 13 175.986 . . . . . . A 93 ASP C . 19945 1 1068 . 1 1 93 93 ASP CA C 13 55.425 . . . . . . A 93 ASP CA . 19945 1 1069 . 1 1 93 93 ASP CB C 13 40.250 . . . . . . A 93 ASP CB . 19945 1 1070 . 1 1 93 93 ASP N N 15 120.889 . . . . . . A 93 ASP N . 19945 1 1071 . 1 1 94 94 TYR H H 1 6.693 . . . . . . A 94 TYR H . 19945 1 1072 . 1 1 94 94 TYR HA H 1 4.685 . . . . . . A 94 TYR HA . 19945 1 1073 . 1 1 94 94 TYR HB2 H 1 2.877 . . . . . . A 94 TYR HB2 . 19945 1 1074 . 1 1 94 94 TYR HB3 H 1 2.722 . . . . . . A 94 TYR HB3 . 19945 1 1075 . 1 1 94 94 TYR HD1 H 1 6.460 . . . . . . A 94 TYR HD1 . 19945 1 1076 . 1 1 94 94 TYR HD2 H 1 5.970 . . . . . . A 94 TYR HD2 . 19945 1 1077 . 1 1 94 94 TYR HE1 H 1 5.460 . . . . . . A 94 TYR HE1 . 19945 1 1078 . 1 1 94 94 TYR HE2 H 1 5.420 . . . . . . A 94 TYR HE2 . 19945 1 1079 . 1 1 94 94 TYR C C 13 175.519 . . . . . . A 94 TYR C . 19945 1 1080 . 1 1 94 94 TYR CA C 13 56.379 . . . . . . A 94 TYR CA . 19945 1 1081 . 1 1 94 94 TYR CB C 13 36.842 . . . . . . A 94 TYR CB . 19945 1 1082 . 1 1 94 94 TYR CD1 C 13 132.690 . . . . . . A 94 TYR CD1 . 19945 1 1083 . 1 1 94 94 TYR CD2 C 13 132.690 . . . . . . A 94 TYR CD2 . 19945 1 1084 . 1 1 94 94 TYR N N 15 117.028 . . . . . . A 94 TYR N . 19945 1 1085 . 1 1 95 95 ALA H H 1 6.962 . . . . . . A 95 ALA H . 19945 1 1086 . 1 1 95 95 ALA HA H 1 4.156 . . . . . . A 95 ALA HA . 19945 1 1087 . 1 1 95 95 ALA HB1 H 1 1.637 . . . . . . A 95 ALA HB1 . 19945 1 1088 . 1 1 95 95 ALA HB2 H 1 1.637 . . . . . . A 95 ALA HB2 . 19945 1 1089 . 1 1 95 95 ALA HB3 H 1 1.637 . . . . . . A 95 ALA HB3 . 19945 1 1090 . 1 1 95 95 ALA C C 13 179.723 . . . . . . A 95 ALA C . 19945 1 1091 . 1 1 95 95 ALA CA C 13 55.923 . . . . . . A 95 ALA CA . 19945 1 1092 . 1 1 95 95 ALA CB C 13 20.555 . . . . . . A 95 ALA CB . 19945 1 1093 . 1 1 95 95 ALA N N 15 121.950 . . . . . . A 95 ALA N . 19945 1 1094 . 1 1 96 96 GLU H H 1 9.327 . . . . . . A 96 GLU H . 19945 1 1095 . 1 1 96 96 GLU HA H 1 4.306 . . . . . . A 96 GLU HA . 19945 1 1096 . 1 1 96 96 GLU HB2 H 1 1.805 . . . . . . A 96 GLU HB2 . 19945 1 1097 . 1 1 96 96 GLU HB3 H 1 1.640 . . . . . . A 96 GLU HB3 . 19945 1 1098 . 1 1 96 96 GLU HG2 H 1 2.112 . . . . . . A 96 GLU HG2 . 19945 1 1099 . 1 1 96 96 GLU HG3 H 1 1.992 . . . . . . A 96 GLU HG3 . 19945 1 1100 . 1 1 96 96 GLU C C 13 174.684 . . . . . . A 96 GLU C . 19945 1 1101 . 1 1 96 96 GLU CA C 13 56.985 . . . . . . A 96 GLU CA . 19945 1 1102 . 1 1 96 96 GLU CB C 13 29.176 . . . . . . A 96 GLU CB . 19945 1 1103 . 1 1 96 96 GLU CG C 13 37.145 . . . . . . A 96 GLU CG . 19945 1 1104 . 1 1 96 96 GLU N N 15 115.884 . . . . . . A 96 GLU N . 19945 1 1105 . 1 1 97 97 TYR H H 1 8.175 . . . . . . A 97 TYR H . 19945 1 1106 . 1 1 97 97 TYR HA H 1 5.409 . . . . . . A 97 TYR HA . 19945 1 1107 . 1 1 97 97 TYR HB2 H 1 3.729 . . . . . . A 97 TYR HB2 . 19945 1 1108 . 1 1 97 97 TYR HB3 H 1 2.605 . . . . . . A 97 TYR HB3 . 19945 1 1109 . 1 1 97 97 TYR HD1 H 1 7.230 . . . . . . A 97 TYR HD1 . 19945 1 1110 . 1 1 97 97 TYR HE1 H 1 7.040 . . . . . . A 97 TYR HE1 . 19945 1 1111 . 1 1 97 97 TYR C C 13 179.953 . . . . . . A 97 TYR C . 19945 1 1112 . 1 1 97 97 TYR CA C 13 56.442 . . . . . . A 97 TYR CA . 19945 1 1113 . 1 1 97 97 TYR CB C 13 41.292 . . . . . . A 97 TYR CB . 19945 1 1114 . 1 1 97 97 TYR CD1 C 13 133.691 . . . . . . A 97 TYR CD1 . 19945 1 1115 . 1 1 97 97 TYR CE1 C 13 118.940 . . . . . . A 97 TYR CE1 . 19945 1 1116 . 1 1 97 97 TYR N N 15 121.836 . . . . . . A 97 TYR N . 19945 1 1117 . 1 1 98 98 PHE H H 1 7.889 . . . . . . A 98 PHE H . 19945 1 1118 . 1 1 98 98 PHE HA H 1 5.137 . . . . . . A 98 PHE HA . 19945 1 1119 . 1 1 98 98 PHE HB2 H 1 3.312 . . . . . . A 98 PHE HB2 . 19945 1 1120 . 1 1 98 98 PHE HB3 H 1 2.796 . . . . . . A 98 PHE HB3 . 19945 1 1121 . 1 1 98 98 PHE C C 13 174.742 . . . . . . A 98 PHE C . 19945 1 1122 . 1 1 98 98 PHE CA C 13 58.663 . . . . . . A 98 PHE CA . 19945 1 1123 . 1 1 98 98 PHE CB C 13 38.655 . . . . . . A 98 PHE CB . 19945 1 1124 . 1 1 98 98 PHE N N 15 124.580 . . . . . . A 98 PHE N . 19945 1 1125 . 1 1 99 99 CYS H H 1 8.617 . . . . . . A 99 CYS H . 19945 1 1126 . 1 1 99 99 CYS HA H 1 3.652 . . . . . . A 99 CYS HA . 19945 1 1127 . 1 1 99 99 CYS HB2 H 1 2.394 . . . . . . A 99 CYS HB2 . 19945 1 1128 . 1 1 99 99 CYS HB3 H 1 1.792 . . . . . . A 99 CYS HB3 . 19945 1 1129 . 1 1 99 99 CYS C C 13 175.087 . . . . . . A 99 CYS C . 19945 1 1130 . 1 1 99 99 CYS CA C 13 62.876 . . . . . . A 99 CYS CA . 19945 1 1131 . 1 1 99 99 CYS CB C 13 24.000 . . . . . . A 99 CYS CB . 19945 1 1132 . 1 1 99 99 CYS N N 15 120.329 . . . . . . A 99 CYS N . 19945 1 1133 . 1 1 100 100 ASP H H 1 7.104 . . . . . . A 100 ASP H . 19945 1 1134 . 1 1 100 100 ASP HA H 1 3.945 . . . . . . A 100 ASP HA . 19945 1 1135 . 1 1 100 100 ASP HB2 H 1 2.683 . . . . . . A 100 ASP HB2 . 19945 1 1136 . 1 1 100 100 ASP HB3 H 1 2.522 . . . . . . A 100 ASP HB3 . 19945 1 1137 . 1 1 100 100 ASP C C 13 178.888 . . . . . . A 100 ASP C . 19945 1 1138 . 1 1 100 100 ASP CA C 13 58.128 . . . . . . A 100 ASP CA . 19945 1 1139 . 1 1 100 100 ASP CB C 13 41.950 . . . . . . A 100 ASP CB . 19945 1 1140 . 1 1 100 100 ASP N N 15 116.705 . . . . . . A 100 ASP N . 19945 1 1141 . 1 1 101 101 ALA H H 1 8.716 . . . . . . A 101 ALA H . 19945 1 1142 . 1 1 101 101 ALA HA H 1 4.151 . . . . . . A 101 ALA HA . 19945 1 1143 . 1 1 101 101 ALA HB1 H 1 1.158 . . . . . . A 101 ALA HB1 . 19945 1 1144 . 1 1 101 101 ALA HB2 H 1 1.158 . . . . . . A 101 ALA HB2 . 19945 1 1145 . 1 1 101 101 ALA HB3 H 1 1.158 . . . . . . A 101 ALA HB3 . 19945 1 1146 . 1 1 101 101 ALA C C 13 178.600 . . . . . . A 101 ALA C . 19945 1 1147 . 1 1 101 101 ALA CA C 13 54.397 . . . . . . A 101 ALA CA . 19945 1 1148 . 1 1 101 101 ALA CB C 13 18.810 . . . . . . A 101 ALA CB . 19945 1 1149 . 1 1 101 101 ALA N N 15 118.631 . . . . . . A 101 ALA N . 19945 1 1150 . 1 1 102 102 LEU H H 1 7.171 . . . . . . A 102 LEU H . 19945 1 1151 . 1 1 102 102 LEU HA H 1 3.614 . . . . . . A 102 LEU HA . 19945 1 1152 . 1 1 102 102 LEU HB2 H 1 1.653 . . . . . . A 102 LEU HB2 . 19945 1 1153 . 1 1 102 102 LEU HB3 H 1 1.016 . . . . . . A 102 LEU HB3 . 19945 1 1154 . 1 1 102 102 LEU HG H 1 1.407 . . . . . . A 102 LEU HG . 19945 1 1155 . 1 1 102 102 LEU HD11 H 1 0.332 . . . . . . A 102 LEU HD11 . 19945 1 1156 . 1 1 102 102 LEU HD12 H 1 0.332 . . . . . . A 102 LEU HD12 . 19945 1 1157 . 1 1 102 102 LEU HD13 H 1 0.332 . . . . . . A 102 LEU HD13 . 19945 1 1158 . 1 1 102 102 LEU HD21 H 1 0.290 . . . . . . A 102 LEU HD21 . 19945 1 1159 . 1 1 102 102 LEU HD22 H 1 0.290 . . . . . . A 102 LEU HD22 . 19945 1 1160 . 1 1 102 102 LEU HD23 H 1 0.290 . . . . . . A 102 LEU HD23 . 19945 1 1161 . 1 1 102 102 LEU C C 13 179.573 . . . . . . A 102 LEU C . 19945 1 1162 . 1 1 102 102 LEU CA C 13 57.844 . . . . . . A 102 LEU CA . 19945 1 1163 . 1 1 102 102 LEU CB C 13 42.714 . . . . . . A 102 LEU CB . 19945 1 1164 . 1 1 102 102 LEU CG C 13 26.519 . . . . . . A 102 LEU CG . 19945 1 1165 . 1 1 102 102 LEU CD1 C 13 24.820 . . . . . . A 102 LEU CD1 . 19945 1 1166 . 1 1 102 102 LEU CD2 C 13 22.235 . . . . . . A 102 LEU CD2 . 19945 1 1167 . 1 1 102 102 LEU N N 15 115.083 . . . . . . A 102 LEU N . 19945 1 1168 . 1 1 103 103 GLY H H 1 7.365 . . . . . . A 103 GLY H . 19945 1 1169 . 1 1 103 103 GLY HA2 H 1 3.921 . . . . . . A 103 GLY HA2 . 19945 1 1170 . 1 1 103 103 GLY HA3 H 1 3.523 . . . . . . A 103 GLY HA3 . 19945 1 1171 . 1 1 103 103 GLY C C 13 175.145 . . . . . . A 103 GLY C . 19945 1 1172 . 1 1 103 103 GLY CA C 13 46.708 . . . . . . A 103 GLY CA . 19945 1 1173 . 1 1 103 103 GLY N N 15 104.501 . . . . . . A 103 GLY N . 19945 1 1174 . 1 1 104 104 THR H H 1 7.343 . . . . . . A 104 THR H . 19945 1 1175 . 1 1 104 104 THR HA H 1 3.737 . . . . . . A 104 THR HA . 19945 1 1176 . 1 1 104 104 THR HB H 1 4.096 . . . . . . A 104 THR HB . 19945 1 1177 . 1 1 104 104 THR HG21 H 1 1.144 . . . . . . A 104 THR HG21 . 19945 1 1178 . 1 1 104 104 THR HG22 H 1 1.144 . . . . . . A 104 THR HG22 . 19945 1 1179 . 1 1 104 104 THR HG23 H 1 1.144 . . . . . . A 104 THR HG23 . 19945 1 1180 . 1 1 104 104 THR C C 13 176.354 . . . . . . A 104 THR C . 19945 1 1181 . 1 1 104 104 THR CA C 13 65.799 . . . . . . A 104 THR CA . 19945 1 1182 . 1 1 104 104 THR CB C 13 67.961 . . . . . . A 104 THR CB . 19945 1 1183 . 1 1 104 104 THR CG2 C 13 23.066 . . . . . . A 104 THR CG2 . 19945 1 1184 . 1 1 104 104 THR N N 15 118.860 . . . . . . A 104 THR N . 19945 1 1185 . 1 1 105 105 ILE H H 1 7.589 . . . . . . A 105 ILE H . 19945 1 1186 . 1 1 105 105 ILE HA H 1 3.504 . . . . . . A 105 ILE HA . 19945 1 1187 . 1 1 105 105 ILE HB H 1 1.365 . . . . . . A 105 ILE HB . 19945 1 1188 . 1 1 105 105 ILE HG12 H 1 1.171 . . . . . . A 105 ILE HG12 . 19945 1 1189 . 1 1 105 105 ILE HG13 H 1 0.706 . . . . . . A 105 ILE HG13 . 19945 1 1190 . 1 1 105 105 ILE HG21 H 1 0.736 . . . . . . A 105 ILE HG21 . 19945 1 1191 . 1 1 105 105 ILE HG22 H 1 0.736 . . . . . . A 105 ILE HG22 . 19945 1 1192 . 1 1 105 105 ILE HG23 H 1 0.736 . . . . . . A 105 ILE HG23 . 19945 1 1193 . 1 1 105 105 ILE HD11 H 1 -0.190 . . . . . . A 105 ILE HD11 . 19945 1 1194 . 1 1 105 105 ILE HD12 H 1 -0.190 . . . . . . A 105 ILE HD12 . 19945 1 1195 . 1 1 105 105 ILE HD13 H 1 -0.190 . . . . . . A 105 ILE HD13 . 19945 1 1196 . 1 1 105 105 ILE C C 13 177.391 . . . . . . A 105 ILE C . 19945 1 1197 . 1 1 105 105 ILE CA C 13 65.550 . . . . . . A 105 ILE CA . 19945 1 1198 . 1 1 105 105 ILE CB C 13 37.750 . . . . . . A 105 ILE CB . 19945 1 1199 . 1 1 105 105 ILE CG1 C 13 29.942 . . . . . . A 105 ILE CG1 . 19945 1 1200 . 1 1 105 105 ILE CG2 C 13 18.549 . . . . . . A 105 ILE CG2 . 19945 1 1201 . 1 1 105 105 ILE CD1 C 13 12.971 . . . . . . A 105 ILE CD1 . 19945 1 1202 . 1 1 105 105 ILE N N 15 118.663 . . . . . . A 105 ILE N . 19945 1 1203 . 1 1 106 106 ARG H H 1 7.307 . . . . . . A 106 ARG H . 19945 1 1204 . 1 1 106 106 ARG HA H 1 3.580 . . . . . . A 106 ARG HA . 19945 1 1205 . 1 1 106 106 ARG HB2 H 1 1.711 . . . . . . A 106 ARG HB2 . 19945 1 1206 . 1 1 106 106 ARG HB3 H 1 2.221 . . . . . . A 106 ARG HB3 . 19945 1 1207 . 1 1 106 106 ARG HG2 H 1 1.406 . . . . . . A 106 ARG HG2 . 19945 1 1208 . 1 1 106 106 ARG HG3 H 1 1.773 . . . . . . A 106 ARG HG3 . 19945 1 1209 . 1 1 106 106 ARG HD2 H 1 3.140 . . . . . . A 106 ARG HD2 . 19945 1 1210 . 1 1 106 106 ARG HD3 H 1 3.229 . . . . . . A 106 ARG HD3 . 19945 1 1211 . 1 1 106 106 ARG HE H 1 7.270 . . . . . . A 106 ARG HE . 19945 1 1212 . 1 1 106 106 ARG C C 13 176.614 . . . . . . A 106 ARG C . 19945 1 1213 . 1 1 106 106 ARG CA C 13 60.267 . . . . . . A 106 ARG CA . 19945 1 1214 . 1 1 106 106 ARG CB C 13 27.316 . . . . . . A 106 ARG CB . 19945 1 1215 . 1 1 106 106 ARG CG C 13 24.659 . . . . . . A 106 ARG CG . 19945 1 1216 . 1 1 106 106 ARG CD C 13 42.724 . . . . . . A 106 ARG CD . 19945 1 1217 . 1 1 106 106 ARG N N 15 126.041 . . . . . . A 106 ARG N . 19945 1 1218 . 1 1 106 106 ARG NE N 15 113.869 . . . . . . A 106 ARG NE . 19945 1 1219 . 1 1 107 107 ASP H H 1 8.202 . . . . . . A 107 ASP H . 19945 1 1220 . 1 1 107 107 ASP HA H 1 4.348 . . . . . . A 107 ASP HA . 19945 1 1221 . 1 1 107 107 ASP HB2 H 1 2.654 . . . . . . A 107 ASP HB2 . 19945 1 1222 . 1 1 107 107 ASP HB3 H 1 2.772 . . . . . . A 107 ASP HB3 . 19945 1 1223 . 1 1 107 107 ASP C C 13 177.189 . . . . . . A 107 ASP C . 19945 1 1224 . 1 1 107 107 ASP CA C 13 56.500 . . . . . . A 107 ASP CA . 19945 1 1225 . 1 1 107 107 ASP CB C 13 39.674 . . . . . . A 107 ASP CB . 19945 1 1226 . 1 1 107 107 ASP N N 15 117.480 . . . . . . A 107 ASP N . 19945 1 1227 . 1 1 108 108 ILE H H 1 7.107 . . . . . . A 108 ILE H . 19945 1 1228 . 1 1 108 108 ILE HA H 1 3.856 . . . . . . A 108 ILE HA . 19945 1 1229 . 1 1 108 108 ILE HB H 1 1.542 . . . . . . A 108 ILE HB . 19945 1 1230 . 1 1 108 108 ILE HG12 H 1 0.780 . . . . . . A 108 ILE HG12 . 19945 1 1231 . 1 1 108 108 ILE HG13 H 1 1.568 . . . . . . A 108 ILE HG13 . 19945 1 1232 . 1 1 108 108 ILE HG21 H 1 0.696 . . . . . . A 108 ILE HG21 . 19945 1 1233 . 1 1 108 108 ILE HG22 H 1 0.696 . . . . . . A 108 ILE HG22 . 19945 1 1234 . 1 1 108 108 ILE HG23 H 1 0.696 . . . . . . A 108 ILE HG23 . 19945 1 1235 . 1 1 108 108 ILE HD11 H 1 0.037 . . . . . . A 108 ILE HD11 . 19945 1 1236 . 1 1 108 108 ILE HD12 H 1 0.037 . . . . . . A 108 ILE HD12 . 19945 1 1237 . 1 1 108 108 ILE HD13 H 1 0.037 . . . . . . A 108 ILE HD13 . 19945 1 1238 . 1 1 108 108 ILE C C 13 178.427 . . . . . . A 108 ILE C . 19945 1 1239 . 1 1 108 108 ILE CA C 13 63.977 . . . . . . A 108 ILE CA . 19945 1 1240 . 1 1 108 108 ILE CB C 13 39.451 . . . . . . A 108 ILE CB . 19945 1 1241 . 1 1 108 108 ILE CG1 C 13 28.113 . . . . . . A 108 ILE CG1 . 19945 1 1242 . 1 1 108 108 ILE CG2 C 13 17.487 . . . . . . A 108 ILE CG2 . 19945 1 1243 . 1 1 108 108 ILE CD1 C 13 13.502 . . . . . . A 108 ILE CD1 . 19945 1 1244 . 1 1 108 108 ILE N N 15 117.715 . . . . . . A 108 ILE N . 19945 1 1245 . 1 1 109 109 ILE H H 1 7.501 . . . . . . A 109 ILE H . 19945 1 1246 . 1 1 109 109 ILE HA H 1 3.735 . . . . . . A 109 ILE HA . 19945 1 1247 . 1 1 109 109 ILE HB H 1 0.688 . . . . . . A 109 ILE HB . 19945 1 1248 . 1 1 109 109 ILE HG12 H 1 1.286 . . . . . . A 109 ILE HG12 . 19945 1 1249 . 1 1 109 109 ILE HG13 H 1 1.022 . . . . . . A 109 ILE HG13 . 19945 1 1250 . 1 1 109 109 ILE HG21 H 1 0.246 . . . . . . A 109 ILE HG21 . 19945 1 1251 . 1 1 109 109 ILE HG22 H 1 0.246 . . . . . . A 109 ILE HG22 . 19945 1 1252 . 1 1 109 109 ILE HG23 H 1 0.246 . . . . . . A 109 ILE HG23 . 19945 1 1253 . 1 1 109 109 ILE HD11 H 1 0.420 . . . . . . A 109 ILE HD11 . 19945 1 1254 . 1 1 109 109 ILE HD12 H 1 0.420 . . . . . . A 109 ILE HD12 . 19945 1 1255 . 1 1 109 109 ILE HD13 H 1 0.420 . . . . . . A 109 ILE HD13 . 19945 1 1256 . 1 1 109 109 ILE C C 13 177.305 . . . . . . A 109 ILE C . 19945 1 1257 . 1 1 109 109 ILE CA C 13 64.605 . . . . . . A 109 ILE CA . 19945 1 1258 . 1 1 109 109 ILE CB C 13 37.411 . . . . . . A 109 ILE CB . 19945 1 1259 . 1 1 109 109 ILE CG1 C 13 25.047 . . . . . . A 109 ILE CG1 . 19945 1 1260 . 1 1 109 109 ILE CG2 C 13 17.901 . . . . . . A 109 ILE CG2 . 19945 1 1261 . 1 1 109 109 ILE CD1 C 13 15.096 . . . . . . A 109 ILE CD1 . 19945 1 1262 . 1 1 109 109 ILE N N 15 111.534 . . . . . . A 109 ILE N . 19945 1 1263 . 1 1 110 110 GLU H H 1 8.867 . . . . . . A 110 GLU H . 19945 1 1264 . 1 1 110 110 GLU HA H 1 4.298 . . . . . . A 110 GLU HA . 19945 1 1265 . 1 1 110 110 GLU HB2 H 1 2.354 . . . . . . A 110 GLU HB2 . 19945 1 1266 . 1 1 110 110 GLU HB3 H 1 2.052 . . . . . . A 110 GLU HB3 . 19945 1 1267 . 1 1 110 110 GLU HG2 H 1 2.407 . . . . . . A 110 GLU HG2 . 19945 1 1268 . 1 1 110 110 GLU HG3 H 1 2.287 . . . . . . A 110 GLU HG3 . 19945 1 1269 . 1 1 110 110 GLU C C 13 177.391 . . . . . . A 110 GLU C . 19945 1 1270 . 1 1 110 110 GLU CA C 13 62.331 . . . . . . A 110 GLU CA . 19945 1 1271 . 1 1 110 110 GLU CB C 13 27.848 . . . . . . A 110 GLU CB . 19945 1 1272 . 1 1 110 110 GLU CG C 13 38.208 . . . . . . A 110 GLU CG . 19945 1 1273 . 1 1 110 110 GLU N N 15 127.123 . . . . . . A 110 GLU N . 19945 1 1274 . 1 1 111 111 PRO HA H 1 4.616 . . . . . . A 111 PRO HA . 19945 1 1275 . 1 1 111 111 PRO HB2 H 1 1.833 . . . . . . A 111 PRO HB2 . 19945 1 1276 . 1 1 111 111 PRO HB3 H 1 2.441 . . . . . . A 111 PRO HB3 . 19945 1 1277 . 1 1 111 111 PRO HG2 H 1 2.081 . . . . . . A 111 PRO HG2 . 19945 1 1278 . 1 1 111 111 PRO HD2 H 1 3.478 . . . . . . A 111 PRO HD2 . 19945 1 1279 . 1 1 111 111 PRO HD3 H 1 3.720 . . . . . . A 111 PRO HD3 . 19945 1 1280 . 1 1 111 111 PRO C C 13 177.417 . . . . . . A 111 PRO C . 19945 1 1281 . 1 1 111 111 PRO CA C 13 65.235 . . . . . . A 111 PRO CA . 19945 1 1282 . 1 1 111 111 PRO CB C 13 31.035 . . . . . . A 111 PRO CB . 19945 1 1283 . 1 1 111 111 PRO CG C 13 28.377 . . . . . . A 111 PRO CG . 19945 1 1284 . 1 1 111 111 PRO CD C 13 50.959 . . . . . . A 111 PRO CD . 19945 1 1285 . 1 1 112 112 ARG H H 1 6.542 . . . . . . A 112 ARG H . 19945 1 1286 . 1 1 112 112 ARG HA H 1 4.568 . . . . . . A 112 ARG HA . 19945 1 1287 . 1 1 112 112 ARG HB2 H 1 1.825 . . . . . . A 112 ARG HB2 . 19945 1 1288 . 1 1 112 112 ARG HB3 H 1 2.860 . . . . . . A 112 ARG HB3 . 19945 1 1289 . 1 1 112 112 ARG HG2 H 1 2.030 . . . . . . A 112 ARG HG2 . 19945 1 1290 . 1 1 112 112 ARG HG3 H 1 1.838 . . . . . . A 112 ARG HG3 . 19945 1 1291 . 1 1 112 112 ARG HD2 H 1 3.491 . . . . . . A 112 ARG HD2 . 19945 1 1292 . 1 1 112 112 ARG HD3 H 1 3.407 . . . . . . A 112 ARG HD3 . 19945 1 1293 . 1 1 112 112 ARG HE H 1 7.595 . . . . . . A 112 ARG HE . 19945 1 1294 . 1 1 112 112 ARG C C 13 175.792 . . . . . . A 112 ARG C . 19945 1 1295 . 1 1 112 112 ARG CA C 13 55.741 . . . . . . A 112 ARG CA . 19945 1 1296 . 1 1 112 112 ARG CB C 13 30.504 . . . . . . A 112 ARG CB . 19945 1 1297 . 1 1 112 112 ARG CG C 13 27.750 . . . . . . A 112 ARG CG . 19945 1 1298 . 1 1 112 112 ARG CD C 13 42.458 . . . . . . A 112 ARG CD . 19945 1 1299 . 1 1 112 112 ARG N N 15 114.612 . . . . . . A 112 ARG N . 19945 1 1300 . 1 1 112 112 ARG NE N 15 115.769 . . . . . . A 112 ARG NE . 19945 1 1301 . 1 1 113 113 GLY H H 1 7.845 . . . . . . A 113 GLY H . 19945 1 1302 . 1 1 113 113 GLY HA2 H 1 3.759 . . . . . . A 113 GLY HA2 . 19945 1 1303 . 1 1 113 113 GLY HA3 H 1 4.406 . . . . . . A 113 GLY HA3 . 19945 1 1304 . 1 1 113 113 GLY C C 13 174.347 . . . . . . A 113 GLY C . 19945 1 1305 . 1 1 113 113 GLY CA C 13 45.640 . . . . . . A 113 GLY CA . 19945 1 1306 . 1 1 113 113 GLY N N 15 106.474 . . . . . . A 113 GLY N . 19945 1 1307 . 1 1 114 114 ALA H H 1 7.535 . . . . . . A 114 ALA H . 19945 1 1308 . 1 1 114 114 ALA HA H 1 4.279 . . . . . . A 114 ALA HA . 19945 1 1309 . 1 1 114 114 ALA HB1 H 1 0.943 . . . . . . A 114 ALA HB1 . 19945 1 1310 . 1 1 114 114 ALA HB2 H 1 0.943 . . . . . . A 114 ALA HB2 . 19945 1 1311 . 1 1 114 114 ALA HB3 H 1 0.943 . . . . . . A 114 ALA HB3 . 19945 1 1312 . 1 1 114 114 ALA C C 13 176.785 . . . . . . A 114 ALA C . 19945 1 1313 . 1 1 114 114 ALA CA C 13 53.391 . . . . . . A 114 ALA CA . 19945 1 1314 . 1 1 114 114 ALA CB C 13 19.612 . . . . . . A 114 ALA CB . 19945 1 1315 . 1 1 114 114 ALA N N 15 122.280 . . . . . . A 114 ALA N . 19945 1 1316 . 1 1 115 115 THR H H 1 7.902 . . . . . . A 115 THR H . 19945 1 1317 . 1 1 115 115 THR HA H 1 4.478 . . . . . . A 115 THR HA . 19945 1 1318 . 1 1 115 115 THR HB H 1 4.332 . . . . . . A 115 THR HB . 19945 1 1319 . 1 1 115 115 THR HG21 H 1 1.202 . . . . . . A 115 THR HG21 . 19945 1 1320 . 1 1 115 115 THR HG22 H 1 1.202 . . . . . . A 115 THR HG22 . 19945 1 1321 . 1 1 115 115 THR HG23 H 1 1.202 . . . . . . A 115 THR HG23 . 19945 1 1322 . 1 1 115 115 THR C C 13 172.963 . . . . . . A 115 THR C . 19945 1 1323 . 1 1 115 115 THR CA C 13 62.825 . . . . . . A 115 THR CA . 19945 1 1324 . 1 1 115 115 THR CB C 13 69.501 . . . . . . A 115 THR CB . 19945 1 1325 . 1 1 115 115 THR CG2 C 13 20.940 . . . . . . A 115 THR CG2 . 19945 1 1326 . 1 1 115 115 THR N N 15 120.909 . . . . . . A 115 THR N . 19945 1 1327 . 1 1 116 116 ILE H H 1 8.784 . . . . . . A 116 ILE H . 19945 1 1328 . 1 1 116 116 ILE HA H 1 5.297 . . . . . . A 116 ILE HA . 19945 1 1329 . 1 1 116 116 ILE HB H 1 1.932 . . . . . . A 116 ILE HB . 19945 1 1330 . 1 1 116 116 ILE HG12 H 1 1.532 . . . . . . A 116 ILE HG12 . 19945 1 1331 . 1 1 116 116 ILE HG13 H 1 0.826 . . . . . . A 116 ILE HG13 . 19945 1 1332 . 1 1 116 116 ILE HG21 H 1 1.141 . . . . . . A 116 ILE HG21 . 19945 1 1333 . 1 1 116 116 ILE HG22 H 1 1.141 . . . . . . A 116 ILE HG22 . 19945 1 1334 . 1 1 116 116 ILE HG23 H 1 1.141 . . . . . . A 116 ILE HG23 . 19945 1 1335 . 1 1 116 116 ILE HD11 H 1 0.834 . . . . . . A 116 ILE HD11 . 19945 1 1336 . 1 1 116 116 ILE HD12 H 1 0.834 . . . . . . A 116 ILE HD12 . 19945 1 1337 . 1 1 116 116 ILE HD13 H 1 0.834 . . . . . . A 116 ILE HD13 . 19945 1 1338 . 1 1 116 116 ILE C C 13 177.056 . . . . . . A 116 ILE C . 19945 1 1339 . 1 1 116 116 ILE CA C 13 60.523 . . . . . . A 116 ILE CA . 19945 1 1340 . 1 1 116 116 ILE CB C 13 38.300 . . . . . . A 116 ILE CB . 19945 1 1341 . 1 1 116 116 ILE CG1 C 13 28.520 . . . . . . A 116 ILE CG1 . 19945 1 1342 . 1 1 116 116 ILE CG2 C 13 18.018 . . . . . . A 116 ILE CG2 . 19945 1 1343 . 1 1 116 116 ILE CD1 C 13 13.768 . . . . . . A 116 ILE CD1 . 19945 1 1344 . 1 1 116 116 ILE N N 15 129.162 . . . . . . A 116 ILE N . 19945 1 1345 . 1 1 117 117 VAL H H 1 8.812 . . . . . . A 117 VAL H . 19945 1 1346 . 1 1 117 117 VAL HA H 1 4.594 . . . . . . A 117 VAL HA . 19945 1 1347 . 1 1 117 117 VAL HB H 1 2.350 . . . . . . A 117 VAL HB . 19945 1 1348 . 1 1 117 117 VAL HG11 H 1 0.618 . . . . . . A 117 VAL HG11 . 19945 1 1349 . 1 1 117 117 VAL HG12 H 1 0.618 . . . . . . A 117 VAL HG12 . 19945 1 1350 . 1 1 117 117 VAL HG13 H 1 0.618 . . . . . . A 117 VAL HG13 . 19945 1 1351 . 1 1 117 117 VAL HG21 H 1 0.815 . . . . . . A 117 VAL HG21 . 19945 1 1352 . 1 1 117 117 VAL HG22 H 1 0.815 . . . . . . A 117 VAL HG22 . 19945 1 1353 . 1 1 117 117 VAL HG23 H 1 0.815 . . . . . . A 117 VAL HG23 . 19945 1 1354 . 1 1 117 117 VAL C C 13 175.190 . . . . . . A 117 VAL C . 19945 1 1355 . 1 1 117 117 VAL CA C 13 58.929 . . . . . . A 117 VAL CA . 19945 1 1356 . 1 1 117 117 VAL CB C 13 32.364 . . . . . . A 117 VAL CB . 19945 1 1357 . 1 1 117 117 VAL CG1 C 13 17.753 . . . . . . A 117 VAL CG1 . 19945 1 1358 . 1 1 117 117 VAL CG2 C 13 21.206 . . . . . . A 117 VAL CG2 . 19945 1 1359 . 1 1 117 117 VAL N N 15 122.981 . . . . . . A 117 VAL N . 19945 1 1360 . 1 1 118 118 GLY H H 1 9.297 . . . . . . A 118 GLY H . 19945 1 1361 . 1 1 118 118 GLY HA2 H 1 3.770 . . . . . . A 118 GLY HA2 . 19945 1 1362 . 1 1 118 118 GLY HA3 H 1 4.328 . . . . . . A 118 GLY HA3 . 19945 1 1363 . 1 1 118 118 GLY C C 13 175.792 . . . . . . A 118 GLY C . 19945 1 1364 . 1 1 118 118 GLY CA C 13 47.746 . . . . . . A 118 GLY CA . 19945 1 1365 . 1 1 118 118 GLY N N 15 108.558 . . . . . . A 118 GLY N . 19945 1 1366 . 1 1 119 119 HIS H H 1 8.901 . . . . . . A 119 HIS H . 19945 1 1367 . 1 1 119 119 HIS HA H 1 4.772 . . . . . . A 119 HIS HA . 19945 1 1368 . 1 1 119 119 HIS HB2 H 1 2.979 . . . . . . A 119 HIS HB2 . 19945 1 1369 . 1 1 119 119 HIS HB3 H 1 3.174 . . . . . . A 119 HIS HB3 . 19945 1 1370 . 1 1 119 119 HIS C C 13 175.866 . . . . . . A 119 HIS C . 19945 1 1371 . 1 1 119 119 HIS CA C 13 55.602 . . . . . . A 119 HIS CA . 19945 1 1372 . 1 1 119 119 HIS CB C 13 28.856 . . . . . . A 119 HIS CB . 19945 1 1373 . 1 1 119 119 HIS N N 15 118.402 . . . . . . A 119 HIS N . 19945 1 1374 . 1 1 120 120 TRP H H 1 8.455 . . . . . . A 120 TRP H . 19945 1 1375 . 1 1 120 120 TRP HA H 1 6.293 . . . . . . A 120 TRP HA . 19945 1 1376 . 1 1 120 120 TRP HB2 H 1 3.516 . . . . . . A 120 TRP HB2 . 19945 1 1377 . 1 1 120 120 TRP HB3 H 1 3.238 . . . . . . A 120 TRP HB3 . 19945 1 1378 . 1 1 120 120 TRP HD1 H 1 7.357 . . . . . . A 120 TRP HD1 . 19945 1 1379 . 1 1 120 120 TRP HE1 H 1 10.171 . . . . . . A 120 TRP HE1 . 19945 1 1380 . 1 1 120 120 TRP HE3 H 1 6.948 . . . . . . A 120 TRP HE3 . 19945 1 1381 . 1 1 120 120 TRP HZ2 H 1 7.709 . . . . . . A 120 TRP HZ2 . 19945 1 1382 . 1 1 120 120 TRP HZ3 H 1 7.370 . . . . . . A 120 TRP HZ3 . 19945 1 1383 . 1 1 120 120 TRP HH2 H 1 7.438 . . . . . . A 120 TRP HH2 . 19945 1 1384 . 1 1 120 120 TRP C C 13 173.113 . . . . . . A 120 TRP C . 19945 1 1385 . 1 1 120 120 TRP CA C 13 53.504 . . . . . . A 120 TRP CA . 19945 1 1386 . 1 1 120 120 TRP CB C 13 35.286 . . . . . . A 120 TRP CB . 19945 1 1387 . 1 1 120 120 TRP CD1 C 13 126.690 . . . . . . A 120 TRP CD1 . 19945 1 1388 . 1 1 120 120 TRP CE3 C 13 117.800 . . . . . . A 120 TRP CE3 . 19945 1 1389 . 1 1 120 120 TRP CZ2 C 13 114.314 . . . . . . A 120 TRP CZ2 . 19945 1 1390 . 1 1 120 120 TRP CZ3 C 13 126.810 . . . . . . A 120 TRP CZ3 . 19945 1 1391 . 1 1 120 120 TRP CH2 C 13 125.350 . . . . . . A 120 TRP CH2 . 19945 1 1392 . 1 1 120 120 TRP N N 15 124.300 . . . . . . A 120 TRP N . 19945 1 1393 . 1 1 120 120 TRP NE1 N 15 129.610 . . . . . . A 120 TRP NE1 . 19945 1 1394 . 1 1 121 121 PRO HA H 1 4.597 . . . . . . A 121 PRO HA . 19945 1 1395 . 1 1 121 121 PRO HB2 H 1 1.795 . . . . . . A 121 PRO HB2 . 19945 1 1396 . 1 1 121 121 PRO HB3 H 1 2.432 . . . . . . A 121 PRO HB3 . 19945 1 1397 . 1 1 121 121 PRO HG2 H 1 1.806 . . . . . . A 121 PRO HG2 . 19945 1 1398 . 1 1 121 121 PRO HD2 H 1 2.251 . . . . . . A 121 PRO HD2 . 19945 1 1399 . 1 1 121 121 PRO HD3 H 1 4.118 . . . . . . A 121 PRO HD3 . 19945 1 1400 . 1 1 121 121 PRO C C 13 176.243 . . . . . . A 121 PRO C . 19945 1 1401 . 1 1 121 121 PRO CA C 13 63.450 . . . . . . A 121 PRO CA . 19945 1 1402 . 1 1 121 121 PRO CB C 13 32.097 . . . . . . A 121 PRO CB . 19945 1 1403 . 1 1 121 121 PRO CG C 13 28.113 . . . . . . A 121 PRO CG . 19945 1 1404 . 1 1 121 121 PRO CD C 13 52.022 . . . . . . A 121 PRO CD . 19945 1 1405 . 1 1 122 122 THR H H 1 7.560 . . . . . . A 122 THR H . 19945 1 1406 . 1 1 122 122 THR HA H 1 4.232 . . . . . . A 122 THR HA . 19945 1 1407 . 1 1 122 122 THR HB H 1 4.411 . . . . . . A 122 THR HB . 19945 1 1408 . 1 1 122 122 THR HG21 H 1 0.169 . . . . . . A 122 THR HG21 . 19945 1 1409 . 1 1 122 122 THR HG22 H 1 0.169 . . . . . . A 122 THR HG22 . 19945 1 1410 . 1 1 122 122 THR HG23 H 1 0.169 . . . . . . A 122 THR HG23 . 19945 1 1411 . 1 1 122 122 THR C C 13 176.424 . . . . . . A 122 THR C . 19945 1 1412 . 1 1 122 122 THR CA C 13 62.079 . . . . . . A 122 THR CA . 19945 1 1413 . 1 1 122 122 THR CB C 13 68.758 . . . . . . A 122 THR CB . 19945 1 1414 . 1 1 122 122 THR CG2 C 13 21.737 . . . . . . A 122 THR CG2 . 19945 1 1415 . 1 1 122 122 THR N N 15 110.568 . . . . . . A 122 THR N . 19945 1 1416 . 1 1 123 123 ALA H H 1 7.144 . . . . . . A 123 ALA H . 19945 1 1417 . 1 1 123 123 ALA HA H 1 4.269 . . . . . . A 123 ALA HA . 19945 1 1418 . 1 1 123 123 ALA HB1 H 1 1.369 . . . . . . A 123 ALA HB1 . 19945 1 1419 . 1 1 123 123 ALA HB2 H 1 1.369 . . . . . . A 123 ALA HB2 . 19945 1 1420 . 1 1 123 123 ALA HB3 H 1 1.369 . . . . . . A 123 ALA HB3 . 19945 1 1421 . 1 1 123 123 ALA C C 13 178.862 . . . . . . A 123 ALA C . 19945 1 1422 . 1 1 123 123 ALA CA C 13 53.882 . . . . . . A 123 ALA CA . 19945 1 1423 . 1 1 123 123 ALA CB C 13 18.284 . . . . . . A 123 ALA CB . 19945 1 1424 . 1 1 123 123 ALA N N 15 126.038 . . . . . . A 123 ALA N . 19945 1 1425 . 1 1 124 124 GLY H H 1 9.058 . . . . . . A 124 GLY H . 19945 1 1426 . 1 1 124 124 GLY HA2 H 1 3.657 . . . . . . A 124 GLY HA2 . 19945 1 1427 . 1 1 124 124 GLY HA3 H 1 4.235 . . . . . . A 124 GLY HA3 . 19945 1 1428 . 1 1 124 124 GLY C C 13 173.775 . . . . . . A 124 GLY C . 19945 1 1429 . 1 1 124 124 GLY CA C 13 45.381 . . . . . . A 124 GLY CA . 19945 1 1430 . 1 1 124 124 GLY N N 15 111.468 . . . . . . A 124 GLY N . 19945 1 1431 . 1 1 125 125 TYR H H 1 8.008 . . . . . . A 125 TYR H . 19945 1 1432 . 1 1 125 125 TYR HA H 1 4.942 . . . . . . A 125 TYR HA . 19945 1 1433 . 1 1 125 125 TYR HB2 H 1 3.468 . . . . . . A 125 TYR HB2 . 19945 1 1434 . 1 1 125 125 TYR HB3 H 1 2.864 . . . . . . A 125 TYR HB3 . 19945 1 1435 . 1 1 125 125 TYR HD1 H 1 7.237 . . . . . . A 125 TYR HD1 . 19945 1 1436 . 1 1 125 125 TYR HE1 H 1 6.999 . . . . . . A 125 TYR HE1 . 19945 1 1437 . 1 1 125 125 TYR C C 13 175.581 . . . . . . A 125 TYR C . 19945 1 1438 . 1 1 125 125 TYR CA C 13 56.762 . . . . . . A 125 TYR CA . 19945 1 1439 . 1 1 125 125 TYR CB C 13 40.550 . . . . . . A 125 TYR CB . 19945 1 1440 . 1 1 125 125 TYR CD1 C 13 131.690 . . . . . . A 125 TYR CD1 . 19945 1 1441 . 1 1 125 125 TYR N N 15 119.088 . . . . . . A 125 TYR N . 19945 1 1442 . 1 1 126 126 HIS H H 1 9.512 . . . . . . A 126 HIS H . 19945 1 1443 . 1 1 126 126 HIS HA H 1 5.013 . . . . . . A 126 HIS HA . 19945 1 1444 . 1 1 126 126 HIS HB2 H 1 3.227 . . . . . . A 126 HIS HB2 . 19945 1 1445 . 1 1 126 126 HIS HB3 H 1 3.059 . . . . . . A 126 HIS HB3 . 19945 1 1446 . 1 1 126 126 HIS C C 13 171.969 . . . . . . A 126 HIS C . 19945 1 1447 . 1 1 126 126 HIS CA C 13 54.147 . . . . . . A 126 HIS CA . 19945 1 1448 . 1 1 126 126 HIS CB C 13 28.387 . . . . . . A 126 HIS CB . 19945 1 1449 . 1 1 126 126 HIS N N 15 121.799 . . . . . . A 126 HIS N . 19945 1 1450 . 1 1 127 127 PHE H H 1 7.397 . . . . . . A 127 PHE H . 19945 1 1451 . 1 1 127 127 PHE HA H 1 4.923 . . . . . . A 127 PHE HA . 19945 1 1452 . 1 1 127 127 PHE HB2 H 1 2.730 . . . . . . A 127 PHE HB2 . 19945 1 1453 . 1 1 127 127 PHE HB3 H 1 3.466 . . . . . . A 127 PHE HB3 . 19945 1 1454 . 1 1 127 127 PHE C C 13 172.722 . . . . . . A 127 PHE C . 19945 1 1455 . 1 1 127 127 PHE CA C 13 55.300 . . . . . . A 127 PHE CA . 19945 1 1456 . 1 1 127 127 PHE CB C 13 39.754 . . . . . . A 127 PHE CB . 19945 1 1457 . 1 1 127 127 PHE N N 15 117.258 . . . . . . A 127 PHE N . 19945 1 1458 . 1 1 128 128 GLU H H 1 8.492 . . . . . . A 128 GLU H . 19945 1 1459 . 1 1 128 128 GLU HA H 1 4.363 . . . . . . A 128 GLU HA . 19945 1 1460 . 1 1 128 128 GLU HB2 H 1 1.603 . . . . . . A 128 GLU HB2 . 19945 1 1461 . 1 1 128 128 GLU HB3 H 1 1.930 . . . . . . A 128 GLU HB3 . 19945 1 1462 . 1 1 128 128 GLU HG2 H 1 2.233 . . . . . . A 128 GLU HG2 . 19945 1 1463 . 1 1 128 128 GLU HG3 H 1 2.199 . . . . . . A 128 GLU HG3 . 19945 1 1464 . 1 1 128 128 GLU C C 13 176.033 . . . . . . A 128 GLU C . 19945 1 1465 . 1 1 128 128 GLU CA C 13 57.068 . . . . . . A 128 GLU CA . 19945 1 1466 . 1 1 128 128 GLU CB C 13 31.832 . . . . . . A 128 GLU CB . 19945 1 1467 . 1 1 128 128 GLU CG C 13 35.701 . . . . . . A 128 GLU CG . 19945 1 1468 . 1 1 128 128 GLU N N 15 120.484 . . . . . . A 128 GLU N . 19945 1 1469 . 1 1 129 129 ALA H H 1 9.155 . . . . . . A 129 ALA H . 19945 1 1470 . 1 1 129 129 ALA HA H 1 4.698 . . . . . . A 129 ALA HA . 19945 1 1471 . 1 1 129 129 ALA HB1 H 1 1.442 . . . . . . A 129 ALA HB1 . 19945 1 1472 . 1 1 129 129 ALA HB2 H 1 1.442 . . . . . . A 129 ALA HB2 . 19945 1 1473 . 1 1 129 129 ALA HB3 H 1 1.442 . . . . . . A 129 ALA HB3 . 19945 1 1474 . 1 1 129 129 ALA C C 13 174.016 . . . . . . A 129 ALA C . 19945 1 1475 . 1 1 129 129 ALA CA C 13 52.454 . . . . . . A 129 ALA CA . 19945 1 1476 . 1 1 129 129 ALA CB C 13 22.003 . . . . . . A 129 ALA CB . 19945 1 1477 . 1 1 129 129 ALA N N 15 123.500 . . . . . . A 129 ALA N . 19945 1 1478 . 1 1 130 130 SER H H 1 8.101 . . . . . . A 130 SER H . 19945 1 1479 . 1 1 130 130 SER HA H 1 4.942 . . . . . . A 130 SER HA . 19945 1 1480 . 1 1 130 130 SER HB2 H 1 3.241 . . . . . . A 130 SER HB2 . 19945 1 1481 . 1 1 130 130 SER HB3 H 1 3.889 . . . . . . A 130 SER HB3 . 19945 1 1482 . 1 1 130 130 SER C C 13 176.665 . . . . . . A 130 SER C . 19945 1 1483 . 1 1 130 130 SER CA C 13 57.471 . . . . . . A 130 SER CA . 19945 1 1484 . 1 1 130 130 SER CB C 13 67.205 . . . . . . A 130 SER CB . 19945 1 1485 . 1 1 130 130 SER N N 15 110.807 . . . . . . A 130 SER N . 19945 1 1486 . 1 1 131 131 LYS H H 1 9.690 . . . . . . A 131 LYS H . 19945 1 1487 . 1 1 131 131 LYS HA H 1 4.449 . . . . . . A 131 LYS HA . 19945 1 1488 . 1 1 131 131 LYS HB2 H 1 1.655 . . . . . . A 131 LYS HB2 . 19945 1 1489 . 1 1 131 131 LYS HB3 H 1 2.177 . . . . . . A 131 LYS HB3 . 19945 1 1490 . 1 1 131 131 LYS HG2 H 1 1.528 . . . . . . A 131 LYS HG2 . 19945 1 1491 . 1 1 131 131 LYS HG3 H 1 1.646 . . . . . . A 131 LYS HG3 . 19945 1 1492 . 1 1 131 131 LYS HD2 H 1 1.720 . . . . . . A 131 LYS HD2 . 19945 1 1493 . 1 1 131 131 LYS HE2 H 1 3.037 . . . . . . A 131 LYS HE2 . 19945 1 1494 . 1 1 131 131 LYS HE3 H 1 2.982 . . . . . . A 131 LYS HE3 . 19945 1 1495 . 1 1 131 131 LYS C C 13 176.533 . . . . . . A 131 LYS C . 19945 1 1496 . 1 1 131 131 LYS CA C 13 56.900 . . . . . . A 131 LYS CA . 19945 1 1497 . 1 1 131 131 LYS CB C 13 32.629 . . . . . . A 131 LYS CB . 19945 1 1498 . 1 1 131 131 LYS CG C 13 25.988 . . . . . . A 131 LYS CG . 19945 1 1499 . 1 1 131 131 LYS CD C 13 29.369 . . . . . . A 131 LYS CD . 19945 1 1500 . 1 1 131 131 LYS CE C 13 42.296 . . . . . . A 131 LYS CE . 19945 1 1501 . 1 1 131 131 LYS N N 15 129.963 . . . . . . A 131 LYS N . 19945 1 1502 . 1 1 132 132 GLY H H 1 9.187 . . . . . . A 132 GLY H . 19945 1 1503 . 1 1 132 132 GLY HA2 H 1 4.034 . . . . . . A 132 GLY HA2 . 19945 1 1504 . 1 1 132 132 GLY HA3 H 1 3.324 . . . . . . A 132 GLY HA3 . 19945 1 1505 . 1 1 132 132 GLY C C 13 173.354 . . . . . . A 132 GLY C . 19945 1 1506 . 1 1 132 132 GLY CA C 13 45.646 . . . . . . A 132 GLY CA . 19945 1 1507 . 1 1 132 132 GLY N N 15 107.870 . . . . . . A 132 GLY N . 19945 1 1508 . 1 1 133 133 LEU H H 1 7.098 . . . . . . A 133 LEU H . 19945 1 1509 . 1 1 133 133 LEU HA H 1 4.643 . . . . . . A 133 LEU HA . 19945 1 1510 . 1 1 133 133 LEU HB2 H 1 1.771 . . . . . . A 133 LEU HB2 . 19945 1 1511 . 1 1 133 133 LEU HB3 H 1 1.681 . . . . . . A 133 LEU HB3 . 19945 1 1512 . 1 1 133 133 LEU HG H 1 1.689 . . . . . . A 133 LEU HG . 19945 1 1513 . 1 1 133 133 LEU HD11 H 1 0.420 . . . . . . A 133 LEU HD11 . 19945 1 1514 . 1 1 133 133 LEU HD12 H 1 0.420 . . . . . . A 133 LEU HD12 . 19945 1 1515 . 1 1 133 133 LEU HD13 H 1 0.420 . . . . . . A 133 LEU HD13 . 19945 1 1516 . 1 1 133 133 LEU HD21 H 1 1.021 . . . . . . A 133 LEU HD21 . 19945 1 1517 . 1 1 133 133 LEU HD22 H 1 1.021 . . . . . . A 133 LEU HD22 . 19945 1 1518 . 1 1 133 133 LEU HD23 H 1 1.021 . . . . . . A 133 LEU HD23 . 19945 1 1519 . 1 1 133 133 LEU C C 13 177.748 . . . . . . A 133 LEU C . 19945 1 1520 . 1 1 133 133 LEU CA C 13 55.476 . . . . . . A 133 LEU CA . 19945 1 1521 . 1 1 133 133 LEU CB C 13 40.504 . . . . . . A 133 LEU CB . 19945 1 1522 . 1 1 133 133 LEU CG C 13 26.770 . . . . . . A 133 LEU CG . 19945 1 1523 . 1 1 133 133 LEU CD1 C 13 22.800 . . . . . . A 133 LEU CD1 . 19945 1 1524 . 1 1 133 133 LEU CD2 C 13 25.722 . . . . . . A 133 LEU CD2 . 19945 1 1525 . 1 1 133 133 LEU N N 15 119.088 . . . . . . A 133 LEU N . 19945 1 1526 . 1 1 134 134 ALA H H 1 9.154 . . . . . . A 134 ALA H . 19945 1 1527 . 1 1 134 134 ALA HA H 1 4.237 . . . . . . A 134 ALA HA . 19945 1 1528 . 1 1 134 134 ALA HB1 H 1 0.624 . . . . . . A 134 ALA HB1 . 19945 1 1529 . 1 1 134 134 ALA HB2 H 1 0.624 . . . . . . A 134 ALA HB2 . 19945 1 1530 . 1 1 134 134 ALA HB3 H 1 0.624 . . . . . . A 134 ALA HB3 . 19945 1 1531 . 1 1 134 134 ALA C C 13 176.695 . . . . . . A 134 ALA C . 19945 1 1532 . 1 1 134 134 ALA CA C 13 52.288 . . . . . . A 134 ALA CA . 19945 1 1533 . 1 1 134 134 ALA CB C 13 19.612 . . . . . . A 134 ALA CB . 19945 1 1534 . 1 1 134 134 ALA N N 15 125.720 . . . . . . A 134 ALA N . 19945 1 1535 . 1 1 135 135 ASP H H 1 8.299 . . . . . . A 135 ASP H . 19945 1 1536 . 1 1 135 135 ASP HA H 1 4.529 . . . . . . A 135 ASP HA . 19945 1 1537 . 1 1 135 135 ASP HB2 H 1 3.033 . . . . . . A 135 ASP HB2 . 19945 1 1538 . 1 1 135 135 ASP HB3 H 1 3.174 . . . . . . A 135 ASP HB3 . 19945 1 1539 . 1 1 135 135 ASP C C 13 175.130 . . . . . . A 135 ASP C . 19945 1 1540 . 1 1 135 135 ASP CA C 13 52.960 . . . . . . A 135 ASP CA . 19945 1 1541 . 1 1 135 135 ASP CB C 13 40.528 . . . . . . A 135 ASP CB . 19945 1 1542 . 1 1 135 135 ASP N N 15 114.952 . . . . . . A 135 ASP N . 19945 1 1543 . 1 1 136 136 ASP H H 1 8.433 . . . . . . A 136 ASP H . 19945 1 1544 . 1 1 136 136 ASP HA H 1 4.335 . . . . . . A 136 ASP HA . 19945 1 1545 . 1 1 136 136 ASP HB2 H 1 2.545 . . . . . . A 136 ASP HB2 . 19945 1 1546 . 1 1 136 136 ASP HB3 H 1 2.701 . . . . . . A 136 ASP HB3 . 19945 1 1547 . 1 1 136 136 ASP C C 13 176.303 . . . . . . A 136 ASP C . 19945 1 1548 . 1 1 136 136 ASP CA C 13 57.844 . . . . . . A 136 ASP CA . 19945 1 1549 . 1 1 136 136 ASP CB C 13 40.864 . . . . . . A 136 ASP CB . 19945 1 1550 . 1 1 136 136 ASP N N 15 114.870 . . . . . . A 136 ASP N . 19945 1 1551 . 1 1 137 137 ASP H H 1 8.232 . . . . . . A 137 ASP H . 19945 1 1552 . 1 1 137 137 ASP HA H 1 4.831 . . . . . . A 137 ASP HA . 19945 1 1553 . 1 1 137 137 ASP HB2 H 1 2.518 . . . . . . A 137 ASP HB2 . 19945 1 1554 . 1 1 137 137 ASP HB3 H 1 2.422 . . . . . . A 137 ASP HB3 . 19945 1 1555 . 1 1 137 137 ASP C C 13 176.514 . . . . . . A 137 ASP C . 19945 1 1556 . 1 1 137 137 ASP CA C 13 53.317 . . . . . . A 137 ASP CA . 19945 1 1557 . 1 1 137 137 ASP CB C 13 42.458 . . . . . . A 137 ASP CB . 19945 1 1558 . 1 1 137 137 ASP N N 15 113.709 . . . . . . A 137 ASP N . 19945 1 1559 . 1 1 138 138 HIS H H 1 7.764 . . . . . . A 138 HIS H . 19945 1 1560 . 1 1 138 138 HIS HA H 1 5.282 . . . . . . A 138 HIS HA . 19945 1 1561 . 1 1 138 138 HIS HB2 H 1 3.141 . . . . . . A 138 HIS HB2 . 19945 1 1562 . 1 1 138 138 HIS HB3 H 1 2.809 . . . . . . A 138 HIS HB3 . 19945 1 1563 . 1 1 138 138 HIS C C 13 175.130 . . . . . . A 138 HIS C . 19945 1 1564 . 1 1 138 138 HIS CA C 13 56.599 . . . . . . A 138 HIS CA . 19945 1 1565 . 1 1 138 138 HIS CB C 13 32.000 . . . . . . A 138 HIS CB . 19945 1 1566 . 1 1 138 138 HIS N N 15 117.829 . . . . . . A 138 HIS N . 19945 1 1567 . 1 1 139 139 PHE H H 1 9.955 . . . . . . A 139 PHE H . 19945 1 1568 . 1 1 139 139 PHE HA H 1 5.019 . . . . . . A 139 PHE HA . 19945 1 1569 . 1 1 139 139 PHE HB2 H 1 3.277 . . . . . . A 139 PHE HB2 . 19945 1 1570 . 1 1 139 139 PHE HB3 H 1 3.666 . . . . . . A 139 PHE HB3 . 19945 1 1571 . 1 1 139 139 PHE HD2 H 1 6.928 . . . . . . A 139 PHE HD2 . 19945 1 1572 . 1 1 139 139 PHE HE2 H 1 6.265 . . . . . . A 139 PHE HE2 . 19945 1 1573 . 1 1 139 139 PHE C C 13 177.477 . . . . . . A 139 PHE C . 19945 1 1574 . 1 1 139 139 PHE CA C 13 58.559 . . . . . . A 139 PHE CA . 19945 1 1575 . 1 1 139 139 PHE CB C 13 42.872 . . . . . . A 139 PHE CB . 19945 1 1576 . 1 1 139 139 PHE CD2 C 13 131.500 . . . . . . A 139 PHE CD2 . 19945 1 1577 . 1 1 139 139 PHE CE2 C 13 130.820 . . . . . . A 139 PHE CE2 . 19945 1 1578 . 1 1 139 139 PHE N N 15 123.553 . . . . . . A 139 PHE N . 19945 1 1579 . 1 1 140 140 VAL H H 1 9.178 . . . . . . A 140 VAL H . 19945 1 1580 . 1 1 140 140 VAL HA H 1 3.678 . . . . . . A 140 VAL HA . 19945 1 1581 . 1 1 140 140 VAL HB H 1 1.725 . . . . . . A 140 VAL HB . 19945 1 1582 . 1 1 140 140 VAL HG11 H 1 0.719 . . . . . . A 140 VAL HG11 . 19945 1 1583 . 1 1 140 140 VAL HG12 H 1 0.719 . . . . . . A 140 VAL HG12 . 19945 1 1584 . 1 1 140 140 VAL HG13 H 1 0.719 . . . . . . A 140 VAL HG13 . 19945 1 1585 . 1 1 140 140 VAL HG21 H 1 1.006 . . . . . . A 140 VAL HG21 . 19945 1 1586 . 1 1 140 140 VAL HG22 H 1 1.006 . . . . . . A 140 VAL HG22 . 19945 1 1587 . 1 1 140 140 VAL HG23 H 1 1.006 . . . . . . A 140 VAL HG23 . 19945 1 1588 . 1 1 140 140 VAL C C 13 173.023 . . . . . . A 140 VAL C . 19945 1 1589 . 1 1 140 140 VAL CA C 13 62.117 . . . . . . A 140 VAL CA . 19945 1 1590 . 1 1 140 140 VAL CB C 13 32.536 . . . . . . A 140 VAL CB . 19945 1 1591 . 1 1 140 140 VAL CG1 C 13 20.940 . . . . . . A 140 VAL CG1 . 19945 1 1592 . 1 1 140 140 VAL CG2 C 13 22.534 . . . . . . A 140 VAL CG2 . 19945 1 1593 . 1 1 140 140 VAL N N 15 119.420 . . . . . . A 140 VAL N . 19945 1 1594 . 1 1 141 141 GLY H H 1 6.837 . . . . . . A 141 GLY H . 19945 1 1595 . 1 1 141 141 GLY HA2 H 1 4.054 . . . . . . A 141 GLY HA2 . 19945 1 1596 . 1 1 141 141 GLY HA3 H 1 4.996 . . . . . . A 141 GLY HA3 . 19945 1 1597 . 1 1 141 141 GLY C C 13 171.284 . . . . . . A 141 GLY C . 19945 1 1598 . 1 1 141 141 GLY CA C 13 44.721 . . . . . . A 141 GLY CA . 19945 1 1599 . 1 1 141 141 GLY N N 15 105.680 . . . . . . A 141 GLY N . 19945 1 1600 . 1 1 142 142 LEU H H 1 7.423 . . . . . . A 142 LEU H . 19945 1 1601 . 1 1 142 142 LEU HA H 1 3.047 . . . . . . A 142 LEU HA . 19945 1 1602 . 1 1 142 142 LEU HB2 H 1 0.078 . . . . . . A 142 LEU HB2 . 19945 1 1603 . 1 1 142 142 LEU HB3 H 1 -1.701 . . . . . . A 142 LEU HB3 . 19945 1 1604 . 1 1 142 142 LEU HG H 1 -0.077 . . . . . . A 142 LEU HG . 19945 1 1605 . 1 1 142 142 LEU HD11 H 1 -0.684 . . . . . . A 142 LEU HD11 . 19945 1 1606 . 1 1 142 142 LEU HD12 H 1 -0.684 . . . . . . A 142 LEU HD12 . 19945 1 1607 . 1 1 142 142 LEU HD13 H 1 -0.684 . . . . . . A 142 LEU HD13 . 19945 1 1608 . 1 1 142 142 LEU HD21 H 1 0.500 . . . . . . A 142 LEU HD21 . 19945 1 1609 . 1 1 142 142 LEU HD22 H 1 0.500 . . . . . . A 142 LEU HD22 . 19945 1 1610 . 1 1 142 142 LEU HD23 H 1 0.500 . . . . . . A 142 LEU HD23 . 19945 1 1611 . 1 1 142 142 LEU C C 13 173.725 . . . . . . A 142 LEU C . 19945 1 1612 . 1 1 142 142 LEU CA C 13 55.704 . . . . . . A 142 LEU CA . 19945 1 1613 . 1 1 142 142 LEU CB C 13 38.739 . . . . . . A 142 LEU CB . 19945 1 1614 . 1 1 142 142 LEU CG C 13 24.925 . . . . . . A 142 LEU CG . 19945 1 1615 . 1 1 142 142 LEU CD1 C 13 20.144 . . . . . . A 142 LEU CD1 . 19945 1 1616 . 1 1 142 142 LEU CD2 C 13 24.925 . . . . . . A 142 LEU CD2 . 19945 1 1617 . 1 1 142 142 LEU N N 15 118.516 . . . . . . A 142 LEU N . 19945 1 1618 . 1 1 143 143 ALA H H 1 5.414 . . . . . . A 143 ALA H . 19945 1 1619 . 1 1 143 143 ALA HA H 1 4.474 . . . . . . A 143 ALA HA . 19945 1 1620 . 1 1 143 143 ALA HB1 H 1 0.161 . . . . . . A 143 ALA HB1 . 19945 1 1621 . 1 1 143 143 ALA HB2 H 1 0.161 . . . . . . A 143 ALA HB2 . 19945 1 1622 . 1 1 143 143 ALA HB3 H 1 0.161 . . . . . . A 143 ALA HB3 . 19945 1 1623 . 1 1 143 143 ALA C C 13 175.685 . . . . . . A 143 ALA C . 19945 1 1624 . 1 1 143 143 ALA CA C 13 49.631 . . . . . . A 143 ALA CA . 19945 1 1625 . 1 1 143 143 ALA CB C 13 19.847 . . . . . . A 143 ALA CB . 19945 1 1626 . 1 1 143 143 ALA N N 15 128.382 . . . . . . A 143 ALA N . 19945 1 1627 . 1 1 144 144 ILE H H 1 8.849 . . . . . . A 144 ILE H . 19945 1 1628 . 1 1 144 144 ILE HA H 1 4.315 . . . . . . A 144 ILE HA . 19945 1 1629 . 1 1 144 144 ILE HB H 1 2.284 . . . . . . A 144 ILE HB . 19945 1 1630 . 1 1 144 144 ILE HG12 H 1 0.854 . . . . . . A 144 ILE HG12 . 19945 1 1631 . 1 1 144 144 ILE HG13 H 1 1.012 . . . . . . A 144 ILE HG13 . 19945 1 1632 . 1 1 144 144 ILE HG21 H 1 0.941 . . . . . . A 144 ILE HG21 . 19945 1 1633 . 1 1 144 144 ILE HG22 H 1 0.941 . . . . . . A 144 ILE HG22 . 19945 1 1634 . 1 1 144 144 ILE HG23 H 1 0.941 . . . . . . A 144 ILE HG23 . 19945 1 1635 . 1 1 144 144 ILE HD11 H 1 0.641 . . . . . . A 144 ILE HD11 . 19945 1 1636 . 1 1 144 144 ILE HD12 H 1 0.641 . . . . . . A 144 ILE HD12 . 19945 1 1637 . 1 1 144 144 ILE HD13 H 1 0.641 . . . . . . A 144 ILE HD13 . 19945 1 1638 . 1 1 144 144 ILE C C 13 173.725 . . . . . . A 144 ILE C . 19945 1 1639 . 1 1 144 144 ILE CA C 13 56.721 . . . . . . A 144 ILE CA . 19945 1 1640 . 1 1 144 144 ILE CB C 13 37.630 . . . . . . A 144 ILE CB . 19945 1 1641 . 1 1 144 144 ILE CG1 C 13 25.722 . . . . . . A 144 ILE CG1 . 19945 1 1642 . 1 1 144 144 ILE CG2 C 13 19.546 . . . . . . A 144 ILE CG2 . 19945 1 1643 . 1 1 144 144 ILE CD1 C 13 78.322 . . . . . . A 144 ILE CD1 . 19945 1 1644 . 1 1 144 144 ILE N N 15 126.754 . . . . . . A 144 ILE N . 19945 1 1645 . 1 1 145 145 ASP H H 1 8.088 . . . . . . A 145 ASP H . 19945 1 1646 . 1 1 145 145 ASP HA H 1 5.796 . . . . . . A 145 ASP HA . 19945 1 1647 . 1 1 145 145 ASP HB2 H 1 2.489 . . . . . . A 145 ASP HB2 . 19945 1 1648 . 1 1 145 145 ASP HB3 H 1 2.989 . . . . . . A 145 ASP HB3 . 19945 1 1649 . 1 1 145 145 ASP C C 13 176.830 . . . . . . A 145 ASP C . 19945 1 1650 . 1 1 145 145 ASP CA C 13 52.553 . . . . . . A 145 ASP CA . 19945 1 1651 . 1 1 145 145 ASP CB C 13 43.502 . . . . . . A 145 ASP CB . 19945 1 1652 . 1 1 145 145 ASP N N 15 125.518 . . . . . . A 145 ASP N . 19945 1 1653 . 1 1 146 146 GLU H H 1 8.390 . . . . . . A 146 GLU H . 19945 1 1654 . 1 1 146 146 GLU HA H 1 4.663 . . . . . . A 146 GLU HA . 19945 1 1655 . 1 1 146 146 GLU HB2 H 1 1.663 . . . . . . A 146 GLU HB2 . 19945 1 1656 . 1 1 146 146 GLU HB3 H 1 2.224 . . . . . . A 146 GLU HB3 . 19945 1 1657 . 1 1 146 146 GLU C C 13 177.132 . . . . . . A 146 GLU C . 19945 1 1658 . 1 1 146 146 GLU CA C 13 56.273 . . . . . . A 146 GLU CA . 19945 1 1659 . 1 1 146 146 GLU CB C 13 32.250 . . . . . . A 146 GLU CB . 19945 1 1660 . 1 1 146 146 GLU N N 15 125.475 . . . . . . A 146 GLU N . 19945 1 1661 . 1 1 147 147 ASP H H 1 8.599 . . . . . . A 147 ASP H . 19945 1 1662 . 1 1 147 147 ASP HA H 1 4.567 . . . . . . A 147 ASP HA . 19945 1 1663 . 1 1 147 147 ASP HB2 H 1 2.479 . . . . . . A 147 ASP HB2 . 19945 1 1664 . 1 1 147 147 ASP HB3 H 1 3.065 . . . . . . A 147 ASP HB3 . 19945 1 1665 . 1 1 147 147 ASP C C 13 178.126 . . . . . . A 147 ASP C . 19945 1 1666 . 1 1 147 147 ASP CA C 13 58.001 . . . . . . A 147 ASP CA . 19945 1 1667 . 1 1 147 147 ASP CB C 13 43.250 . . . . . . A 147 ASP CB . 19945 1 1668 . 1 1 147 147 ASP N N 15 120.137 . . . . . . A 147 ASP N . 19945 1 1669 . 1 1 148 148 ARG H H 1 9.762 . . . . . . A 148 ARG H . 19945 1 1670 . 1 1 148 148 ARG HA H 1 4.698 . . . . . . A 148 ARG HA . 19945 1 1671 . 1 1 148 148 ARG HB2 H 1 2.129 . . . . . . A 148 ARG HB2 . 19945 1 1672 . 1 1 148 148 ARG HB3 H 1 1.960 . . . . . . A 148 ARG HB3 . 19945 1 1673 . 1 1 148 148 ARG HD2 H 1 3.084 . . . . . . A 148 ARG HD2 . 19945 1 1674 . 1 1 148 148 ARG HD3 H 1 2.875 . . . . . . A 148 ARG HD3 . 19945 1 1675 . 1 1 148 148 ARG HE H 1 8.174 . . . . . . A 148 ARG HE . 19945 1 1676 . 1 1 148 148 ARG C C 13 177.704 . . . . . . A 148 ARG C . 19945 1 1677 . 1 1 148 148 ARG CA C 13 52.960 . . . . . . A 148 ARG CA . 19945 1 1678 . 1 1 148 148 ARG CB C 13 30.814 . . . . . . A 148 ARG CB . 19945 1 1679 . 1 1 148 148 ARG CG C 13 26.787 . . . . . . A 148 ARG CG . 19945 1 1680 . 1 1 148 148 ARG CD C 13 40.862 . . . . . . A 148 ARG CD . 19945 1 1681 . 1 1 148 148 ARG N N 15 115.655 . . . . . . A 148 ARG N . 19945 1 1682 . 1 1 148 148 ARG NE N 15 114.330 . . . . . . A 148 ARG NE . 19945 1 1683 . 1 1 149 149 GLN H H 1 7.622 . . . . . . A 149 GLN H . 19945 1 1684 . 1 1 149 149 GLN HA H 1 5.299 . . . . . . A 149 GLN HA . 19945 1 1685 . 1 1 149 149 GLN HB2 H 1 2.197 . . . . . . A 149 GLN HB2 . 19945 1 1686 . 1 1 149 149 GLN HB3 H 1 1.971 . . . . . . A 149 GLN HB3 . 19945 1 1687 . 1 1 149 149 GLN HG2 H 1 2.555 . . . . . . A 149 GLN HG2 . 19945 1 1688 . 1 1 149 149 GLN HG3 H 1 1.987 . . . . . . A 149 GLN HG3 . 19945 1 1689 . 1 1 149 149 GLN C C 13 175.142 . . . . . . A 149 GLN C . 19945 1 1690 . 1 1 149 149 GLN CA C 13 53.401 . . . . . . A 149 GLN CA . 19945 1 1691 . 1 1 149 149 GLN CB C 13 30.841 . . . . . . A 149 GLN CB . 19945 1 1692 . 1 1 149 149 GLN CG C 13 33.465 . . . . . . A 149 GLN CG . 19945 1 1693 . 1 1 149 149 GLN N N 15 116.313 . . . . . . A 149 GLN N . 19945 1 1694 . 1 1 150 150 PRO HA H 1 4.681 . . . . . . A 150 PRO HA . 19945 1 1695 . 1 1 150 150 PRO HB2 H 1 2.121 . . . . . . A 150 PRO HB2 . 19945 1 1696 . 1 1 150 150 PRO HB3 H 1 2.515 . . . . . . A 150 PRO HB3 . 19945 1 1697 . 1 1 150 150 PRO HG2 H 1 2.110 . . . . . . A 150 PRO HG2 . 19945 1 1698 . 1 1 150 150 PRO HD2 H 1 3.477 . . . . . . A 150 PRO HD2 . 19945 1 1699 . 1 1 150 150 PRO HD3 H 1 3.726 . . . . . . A 150 PRO HD3 . 19945 1 1700 . 1 1 150 150 PRO C C 13 179.483 . . . . . . A 150 PRO C . 19945 1 1701 . 1 1 150 150 PRO CA C 13 65.326 . . . . . . A 150 PRO CA . 19945 1 1702 . 1 1 150 150 PRO CB C 13 30.652 . . . . . . A 150 PRO CB . 19945 1 1703 . 1 1 150 150 PRO CG C 13 27.316 . . . . . . A 150 PRO CG . 19945 1 1704 . 1 1 150 150 PRO CD C 13 50.959 . . . . . . A 150 PRO CD . 19945 1 1705 . 1 1 151 151 GLU H H 1 10.520 . . . . . . A 151 GLU H . 19945 1 1706 . 1 1 151 151 GLU HA H 1 4.401 . . . . . . A 151 GLU HA . 19945 1 1707 . 1 1 151 151 GLU HB2 H 1 2.134 . . . . . . A 151 GLU HB2 . 19945 1 1708 . 1 1 151 151 GLU HB3 H 1 2.094 . . . . . . A 151 GLU HB3 . 19945 1 1709 . 1 1 151 151 GLU HG2 H 1 2.186 . . . . . . A 151 GLU HG2 . 19945 1 1710 . 1 1 151 151 GLU HG3 H 1 2.533 . . . . . . A 151 GLU HG3 . 19945 1 1711 . 1 1 151 151 GLU C C 13 177.041 . . . . . . A 151 GLU C . 19945 1 1712 . 1 1 151 151 GLU CA C 13 58.398 . . . . . . A 151 GLU CA . 19945 1 1713 . 1 1 151 151 GLU CB C 13 27.582 . . . . . . A 151 GLU CB . 19945 1 1714 . 1 1 151 151 GLU CG C 13 35.551 . . . . . . A 151 GLU CG . 19945 1 1715 . 1 1 151 151 GLU N N 15 122.981 . . . . . . A 151 GLU N . 19945 1 1716 . 1 1 152 152 LEU H H 1 7.589 . . . . . . A 152 LEU H . 19945 1 1717 . 1 1 152 152 LEU HA H 1 4.691 . . . . . . A 152 LEU HA . 19945 1 1718 . 1 1 152 152 LEU HB2 H 1 1.627 . . . . . . A 152 LEU HB2 . 19945 1 1719 . 1 1 152 152 LEU HB3 H 1 1.680 . . . . . . A 152 LEU HB3 . 19945 1 1720 . 1 1 152 152 LEU HG H 1 1.525 . . . . . . A 152 LEU HG . 19945 1 1721 . 1 1 152 152 LEU HD11 H 1 0.824 . . . . . . A 152 LEU HD11 . 19945 1 1722 . 1 1 152 152 LEU HD12 H 1 0.824 . . . . . . A 152 LEU HD12 . 19945 1 1723 . 1 1 152 152 LEU HD13 H 1 0.824 . . . . . . A 152 LEU HD13 . 19945 1 1724 . 1 1 152 152 LEU HD21 H 1 0.901 . . . . . . A 152 LEU HD21 . 19945 1 1725 . 1 1 152 152 LEU HD22 H 1 0.901 . . . . . . A 152 LEU HD22 . 19945 1 1726 . 1 1 152 152 LEU HD23 H 1 0.901 . . . . . . A 152 LEU HD23 . 19945 1 1727 . 1 1 152 152 LEU C C 13 177.222 . . . . . . A 152 LEU C . 19945 1 1728 . 1 1 152 152 LEU CA C 13 54.309 . . . . . . A 152 LEU CA . 19945 1 1729 . 1 1 152 152 LEU CB C 13 41.935 . . . . . . A 152 LEU CB . 19945 1 1730 . 1 1 152 152 LEU CG C 13 26.568 . . . . . . A 152 LEU CG . 19945 1 1731 . 1 1 152 152 LEU CD1 C 13 25.628 . . . . . . A 152 LEU CD1 . 19945 1 1732 . 1 1 152 152 LEU CD2 C 13 22.068 . . . . . . A 152 LEU CD2 . 19945 1 1733 . 1 1 152 152 LEU N N 15 120.119 . . . . . . A 152 LEU N . 19945 1 1734 . 1 1 153 153 THR H H 1 7.469 . . . . . . A 153 THR H . 19945 1 1735 . 1 1 153 153 THR HA H 1 3.592 . . . . . . A 153 THR HA . 19945 1 1736 . 1 1 153 153 THR HB H 1 4.280 . . . . . . A 153 THR HB . 19945 1 1737 . 1 1 153 153 THR HG21 H 1 1.087 . . . . . . A 153 THR HG21 . 19945 1 1738 . 1 1 153 153 THR HG22 H 1 1.087 . . . . . . A 153 THR HG22 . 19945 1 1739 . 1 1 153 153 THR HG23 H 1 1.087 . . . . . . A 153 THR HG23 . 19945 1 1740 . 1 1 153 153 THR C C 13 174.178 . . . . . . A 153 THR C . 19945 1 1741 . 1 1 153 153 THR CA C 13 67.960 . . . . . . A 153 THR CA . 19945 1 1742 . 1 1 153 153 THR CB C 13 69.023 . . . . . . A 153 THR CB . 19945 1 1743 . 1 1 153 153 THR CG2 C 13 23.331 . . . . . . A 153 THR CG2 . 19945 1 1744 . 1 1 153 153 THR N N 15 119.637 . . . . . . A 153 THR N . 19945 1 1745 . 1 1 154 154 ALA H H 1 9.077 . . . . . . A 154 ALA H . 19945 1 1746 . 1 1 154 154 ALA HA H 1 3.888 . . . . . . A 154 ALA HA . 19945 1 1747 . 1 1 154 154 ALA HB1 H 1 1.442 . . . . . . A 154 ALA HB1 . 19945 1 1748 . 1 1 154 154 ALA HB2 H 1 1.442 . . . . . . A 154 ALA HB2 . 19945 1 1749 . 1 1 154 154 ALA HB3 H 1 1.442 . . . . . . A 154 ALA HB3 . 19945 1 1750 . 1 1 154 154 ALA C C 13 180.417 . . . . . . A 154 ALA C . 19945 1 1751 . 1 1 154 154 ALA CA C 13 56.538 . . . . . . A 154 ALA CA . 19945 1 1752 . 1 1 154 154 ALA CB C 13 17.222 . . . . . . A 154 ALA CB . 19945 1 1753 . 1 1 154 154 ALA N N 15 123.665 . . . . . . A 154 ALA N . 19945 1 1754 . 1 1 155 155 GLU H H 1 8.647 . . . . . . A 155 GLU H . 19945 1 1755 . 1 1 155 155 GLU HA H 1 4.252 . . . . . . A 155 GLU HA . 19945 1 1756 . 1 1 155 155 GLU HB2 H 1 2.139 . . . . . . A 155 GLU HB2 . 19945 1 1757 . 1 1 155 155 GLU HB3 H 1 2.228 . . . . . . A 155 GLU HB3 . 19945 1 1758 . 1 1 155 155 GLU HG2 H 1 2.396 . . . . . . A 155 GLU HG2 . 19945 1 1759 . 1 1 155 155 GLU HG3 H 1 2.487 . . . . . . A 155 GLU HG3 . 19945 1 1760 . 1 1 155 155 GLU C C 13 178.518 . . . . . . A 155 GLU C . 19945 1 1761 . 1 1 155 155 GLU CA C 13 58.818 . . . . . . A 155 GLU CA . 19945 1 1762 . 1 1 155 155 GLU CB C 13 29.707 . . . . . . A 155 GLU CB . 19945 1 1763 . 1 1 155 155 GLU CG C 13 36.614 . . . . . . A 155 GLU CG . 19945 1 1764 . 1 1 155 155 GLU N N 15 119.661 . . . . . . A 155 GLU N . 19945 1 1765 . 1 1 156 156 ARG H H 1 8.129 . . . . . . A 156 ARG H . 19945 1 1766 . 1 1 156 156 ARG HA H 1 4.218 . . . . . . A 156 ARG HA . 19945 1 1767 . 1 1 156 156 ARG HB2 H 1 1.686 . . . . . . A 156 ARG HB2 . 19945 1 1768 . 1 1 156 156 ARG HB3 H 1 1.966 . . . . . . A 156 ARG HB3 . 19945 1 1769 . 1 1 156 156 ARG HG2 H 1 2.171 . . . . . . A 156 ARG HG2 . 19945 1 1770 . 1 1 156 156 ARG HG3 H 1 2.364 . . . . . . A 156 ARG HG3 . 19945 1 1771 . 1 1 156 156 ARG HD2 H 1 2.920 . . . . . . A 156 ARG HD2 . 19945 1 1772 . 1 1 156 156 ARG HD3 H 1 3.165 . . . . . . A 156 ARG HD3 . 19945 1 1773 . 1 1 156 156 ARG HE H 1 7.581 . . . . . . A 156 ARG HE . 19945 1 1774 . 1 1 156 156 ARG C C 13 177.252 . . . . . . A 156 ARG C . 19945 1 1775 . 1 1 156 156 ARG CA C 13 60.469 . . . . . . A 156 ARG CA . 19945 1 1776 . 1 1 156 156 ARG CB C 13 31.023 . . . . . . A 156 ARG CB . 19945 1 1777 . 1 1 156 156 ARG CG C 13 29.191 . . . . . . A 156 ARG CG . 19945 1 1778 . 1 1 156 156 ARG CD C 13 43.629 . . . . . . A 156 ARG CD . 19945 1 1779 . 1 1 156 156 ARG CZ C 13 179.193 . . . . . . A 156 ARG CZ . 19945 1 1780 . 1 1 156 156 ARG N N 15 120.739 . . . . . . A 156 ARG N . 19945 1 1781 . 1 1 156 156 ARG NE N 15 114.980 . . . . . . A 156 ARG NE . 19945 1 1782 . 1 1 157 157 VAL H H 1 8.578 . . . . . . A 157 VAL H . 19945 1 1783 . 1 1 157 157 VAL HA H 1 3.319 . . . . . . A 157 VAL HA . 19945 1 1784 . 1 1 157 157 VAL HB H 1 2.053 . . . . . . A 157 VAL HB . 19945 1 1785 . 1 1 157 157 VAL HG11 H 1 0.709 . . . . . . A 157 VAL HG11 . 19945 1 1786 . 1 1 157 157 VAL HG12 H 1 0.709 . . . . . . A 157 VAL HG12 . 19945 1 1787 . 1 1 157 157 VAL HG13 H 1 0.709 . . . . . . A 157 VAL HG13 . 19945 1 1788 . 1 1 157 157 VAL HG21 H 1 0.923 . . . . . . A 157 VAL HG21 . 19945 1 1789 . 1 1 157 157 VAL HG22 H 1 0.923 . . . . . . A 157 VAL HG22 . 19945 1 1790 . 1 1 157 157 VAL HG23 H 1 0.923 . . . . . . A 157 VAL HG23 . 19945 1 1791 . 1 1 157 157 VAL C C 13 177.192 . . . . . . A 157 VAL C . 19945 1 1792 . 1 1 157 157 VAL CA C 13 67.400 . . . . . . A 157 VAL CA . 19945 1 1793 . 1 1 157 157 VAL CB C 13 31.832 . . . . . . A 157 VAL CB . 19945 1 1794 . 1 1 157 157 VAL CG1 C 13 22.003 . . . . . . A 157 VAL CG1 . 19945 1 1795 . 1 1 157 157 VAL CG2 C 13 24.128 . . . . . . A 157 VAL CG2 . 19945 1 1796 . 1 1 157 157 VAL N N 15 117.372 . . . . . . A 157 VAL N . 19945 1 1797 . 1 1 158 158 GLU H H 1 8.046 . . . . . . A 158 GLU H . 19945 1 1798 . 1 1 158 158 GLU HA H 1 4.197 . . . . . . A 158 GLU HA . 19945 1 1799 . 1 1 158 158 GLU HB2 H 1 2.475 . . . . . . A 158 GLU HB2 . 19945 1 1800 . 1 1 158 158 GLU HB3 H 1 2.406 . . . . . . A 158 GLU HB3 . 19945 1 1801 . 1 1 158 158 GLU HG2 H 1 2.391 . . . . . . A 158 GLU HG2 . 19945 1 1802 . 1 1 158 158 GLU HG3 H 1 2.150 . . . . . . A 158 GLU HG3 . 19945 1 1803 . 1 1 158 158 GLU C C 13 179.995 . . . . . . A 158 GLU C . 19945 1 1804 . 1 1 158 158 GLU CA C 13 59.738 . . . . . . A 158 GLU CA . 19945 1 1805 . 1 1 158 158 GLU CB C 13 29.177 . . . . . . A 158 GLU CB . 19945 1 1806 . 1 1 158 158 GLU CG C 13 36.348 . . . . . . A 158 GLU CG . 19945 1 1807 . 1 1 158 158 GLU N N 15 118.631 . . . . . . A 158 GLU N . 19945 1 1808 . 1 1 159 159 LYS H H 1 8.522 . . . . . . A 159 LYS H . 19945 1 1809 . 1 1 159 159 LYS HA H 1 4.186 . . . . . . A 159 LYS HA . 19945 1 1810 . 1 1 159 159 LYS HB2 H 1 2.395 . . . . . . A 159 LYS HB2 . 19945 1 1811 . 1 1 159 159 LYS HG2 H 1 1.790 . . . . . . A 159 LYS HG2 . 19945 1 1812 . 1 1 159 159 LYS HG3 H 1 1.999 . . . . . . A 159 LYS HG3 . 19945 1 1813 . 1 1 159 159 LYS HD2 H 1 1.983 . . . . . . A 159 LYS HD2 . 19945 1 1814 . 1 1 159 159 LYS HE2 H 1 3.163 . . . . . . A 159 LYS HE2 . 19945 1 1815 . 1 1 159 159 LYS C C 13 179.844 . . . . . . A 159 LYS C . 19945 1 1816 . 1 1 159 159 LYS CA C 13 59.995 . . . . . . A 159 LYS CA . 19945 1 1817 . 1 1 159 159 LYS CB C 13 33.692 . . . . . . A 159 LYS CB . 19945 1 1818 . 1 1 159 159 LYS CG C 13 26.519 . . . . . . A 159 LYS CG . 19945 1 1819 . 1 1 159 159 LYS CD C 13 29.598 . . . . . . A 159 LYS CD . 19945 1 1820 . 1 1 159 159 LYS CE C 13 42.458 . . . . . . A 159 LYS CE . 19945 1 1821 . 1 1 159 159 LYS N N 15 118.860 . . . . . . A 159 LYS N . 19945 1 1822 . 1 1 160 160 TRP H H 1 9.076 . . . . . . A 160 TRP H . 19945 1 1823 . 1 1 160 160 TRP HA H 1 4.370 . . . . . . A 160 TRP HA . 19945 1 1824 . 1 1 160 160 TRP HB2 H 1 2.401 . . . . . . A 160 TRP HB2 . 19945 1 1825 . 1 1 160 160 TRP HB3 H 1 2.892 . . . . . . A 160 TRP HB3 . 19945 1 1826 . 1 1 160 160 TRP HD1 H 1 7.410 . . . . . . A 160 TRP HD1 . 19945 1 1827 . 1 1 160 160 TRP HE1 H 1 11.260 . . . . . . A 160 TRP HE1 . 19945 1 1828 . 1 1 160 160 TRP HE3 H 1 6.990 . . . . . . A 160 TRP HE3 . 19945 1 1829 . 1 1 160 160 TRP HZ2 H 1 7.940 . . . . . . A 160 TRP HZ2 . 19945 1 1830 . 1 1 160 160 TRP HZ3 H 1 6.476 . . . . . . A 160 TRP HZ3 . 19945 1 1831 . 1 1 160 160 TRP HH2 H 1 6.698 . . . . . . A 160 TRP HH2 . 19945 1 1832 . 1 1 160 160 TRP C C 13 178.006 . . . . . . A 160 TRP C . 19945 1 1833 . 1 1 160 160 TRP CA C 13 62.814 . . . . . . A 160 TRP CA . 19945 1 1834 . 1 1 160 160 TRP CB C 13 28.792 . . . . . . A 160 TRP CB . 19945 1 1835 . 1 1 160 160 TRP CD1 C 13 126.600 . . . . . . A 160 TRP CD1 . 19945 1 1836 . 1 1 160 160 TRP CE3 C 13 119.060 . . . . . . A 160 TRP CE3 . 19945 1 1837 . 1 1 160 160 TRP CZ2 C 13 116.800 . . . . . . A 160 TRP CZ2 . 19945 1 1838 . 1 1 160 160 TRP CZ3 C 13 120.600 . . . . . . A 160 TRP CZ3 . 19945 1 1839 . 1 1 160 160 TRP CH2 C 13 123.300 . . . . . . A 160 TRP CH2 . 19945 1 1840 . 1 1 160 160 TRP N N 15 125.100 . . . . . . A 160 TRP N . 19945 1 1841 . 1 1 160 160 TRP NE1 N 15 103.522 . . . . . . A 160 TRP NE1 . 19945 1 1842 . 1 1 161 161 VAL H H 1 9.024 . . . . . . A 161 VAL H . 19945 1 1843 . 1 1 161 161 VAL HA H 1 3.370 . . . . . . A 161 VAL HA . 19945 1 1844 . 1 1 161 161 VAL HB H 1 2.199 . . . . . . A 161 VAL HB . 19945 1 1845 . 1 1 161 161 VAL HG11 H 1 0.711 . . . . . . A 161 VAL HG11 . 19945 1 1846 . 1 1 161 161 VAL HG12 H 1 0.711 . . . . . . A 161 VAL HG12 . 19945 1 1847 . 1 1 161 161 VAL HG13 H 1 0.711 . . . . . . A 161 VAL HG13 . 19945 1 1848 . 1 1 161 161 VAL HG21 H 1 1.107 . . . . . . A 161 VAL HG21 . 19945 1 1849 . 1 1 161 161 VAL HG22 H 1 1.107 . . . . . . A 161 VAL HG22 . 19945 1 1850 . 1 1 161 161 VAL HG23 H 1 1.107 . . . . . . A 161 VAL HG23 . 19945 1 1851 . 1 1 161 161 VAL C C 13 179.392 . . . . . . A 161 VAL C . 19945 1 1852 . 1 1 161 161 VAL CA C 13 67.004 . . . . . . A 161 VAL CA . 19945 1 1853 . 1 1 161 161 VAL CB C 13 30.350 . . . . . . A 161 VAL CB . 19945 1 1854 . 1 1 161 161 VAL CG1 C 13 22.034 . . . . . . A 161 VAL CG1 . 19945 1 1855 . 1 1 161 161 VAL CG2 C 13 26.700 . . . . . . A 161 VAL CG2 . 19945 1 1856 . 1 1 161 161 VAL N N 15 118.402 . . . . . . A 161 VAL N . 19945 1 1857 . 1 1 162 162 LYS H H 1 7.820 . . . . . . A 162 LYS H . 19945 1 1858 . 1 1 162 162 LYS HA H 1 4.002 . . . . . . A 162 LYS HA . 19945 1 1859 . 1 1 162 162 LYS HB2 H 1 2.045 . . . . . . A 162 LYS HB2 . 19945 1 1860 . 1 1 162 162 LYS HG2 H 1 1.635 . . . . . . A 162 LYS HG2 . 19945 1 1861 . 1 1 162 162 LYS HG3 H 1 1.528 . . . . . . A 162 LYS HG3 . 19945 1 1862 . 1 1 162 162 LYS HD2 H 1 1.770 . . . . . . A 162 LYS HD2 . 19945 1 1863 . 1 1 162 162 LYS HE2 H 1 3.037 . . . . . . A 162 LYS HE2 . 19945 1 1864 . 1 1 162 162 LYS HE3 H 1 2.983 . . . . . . A 162 LYS HE3 . 19945 1 1865 . 1 1 162 162 LYS C C 13 178.759 . . . . . . A 162 LYS C . 19945 1 1866 . 1 1 162 162 LYS CA C 13 60.372 . . . . . . A 162 LYS CA . 19945 1 1867 . 1 1 162 162 LYS CB C 13 32.364 . . . . . . A 162 LYS CB . 19945 1 1868 . 1 1 162 162 LYS CG C 13 25.750 . . . . . . A 162 LYS CG . 19945 1 1869 . 1 1 162 162 LYS CD C 13 29.441 . . . . . . A 162 LYS CD . 19945 1 1870 . 1 1 162 162 LYS CE C 13 42.429 . . . . . . A 162 LYS CE . 19945 1 1871 . 1 1 162 162 LYS N N 15 123.209 . . . . . . A 162 LYS N . 19945 1 1872 . 1 1 163 163 GLN H H 1 8.126 . . . . . . A 163 GLN H . 19945 1 1873 . 1 1 163 163 GLN HA H 1 4.190 . . . . . . A 163 GLN HA . 19945 1 1874 . 1 1 163 163 GLN HB2 H 1 2.413 . . . . . . A 163 GLN HB2 . 19945 1 1875 . 1 1 163 163 GLN HB3 H 1 2.478 . . . . . . A 163 GLN HB3 . 19945 1 1876 . 1 1 163 163 GLN HG2 H 1 2.534 . . . . . . A 163 GLN HG2 . 19945 1 1877 . 1 1 163 163 GLN HG3 H 1 2.267 . . . . . . A 163 GLN HG3 . 19945 1 1878 . 1 1 163 163 GLN C C 13 179.935 . . . . . . A 163 GLN C . 19945 1 1879 . 1 1 163 163 GLN CA C 13 59.726 . . . . . . A 163 GLN CA . 19945 1 1880 . 1 1 163 163 GLN CB C 13 29.022 . . . . . . A 163 GLN CB . 19945 1 1881 . 1 1 163 163 GLN CG C 13 32.595 . . . . . . A 163 GLN CG . 19945 1 1882 . 1 1 163 163 GLN N N 15 121.722 . . . . . . A 163 GLN N . 19945 1 1883 . 1 1 164 164 ILE H H 1 9.110 . . . . . . A 164 ILE H . 19945 1 1884 . 1 1 164 164 ILE HA H 1 3.990 . . . . . . A 164 ILE HA . 19945 1 1885 . 1 1 164 164 ILE HB H 1 1.366 . . . . . . A 164 ILE HB . 19945 1 1886 . 1 1 164 164 ILE HG12 H 1 1.022 . . . . . . A 164 ILE HG12 . 19945 1 1887 . 1 1 164 164 ILE HG13 H 1 0.852 . . . . . . A 164 ILE HG13 . 19945 1 1888 . 1 1 164 164 ILE HG21 H 1 -0.031 . . . . . . A 164 ILE HG21 . 19945 1 1889 . 1 1 164 164 ILE HG22 H 1 -0.031 . . . . . . A 164 ILE HG22 . 19945 1 1890 . 1 1 164 164 ILE HG23 H 1 -0.031 . . . . . . A 164 ILE HG23 . 19945 1 1891 . 1 1 164 164 ILE HD11 H 1 0.013 . . . . . . A 164 ILE HD11 . 19945 1 1892 . 1 1 164 164 ILE HD12 H 1 0.013 . . . . . . A 164 ILE HD12 . 19945 1 1893 . 1 1 164 164 ILE HD13 H 1 0.013 . . . . . . A 164 ILE HD13 . 19945 1 1894 . 1 1 164 164 ILE C C 13 178.156 . . . . . . A 164 ILE C . 19945 1 1895 . 1 1 164 164 ILE CA C 13 65.176 . . . . . . A 164 ILE CA . 19945 1 1896 . 1 1 164 164 ILE CB C 13 37.678 . . . . . . A 164 ILE CB . 19945 1 1897 . 1 1 164 164 ILE CG1 C 13 25.604 . . . . . . A 164 ILE CG1 . 19945 1 1898 . 1 1 164 164 ILE CG2 C 13 18.000 . . . . . . A 164 ILE CG2 . 19945 1 1899 . 1 1 164 164 ILE CD1 C 13 14.565 . . . . . . A 164 ILE CD1 . 19945 1 1900 . 1 1 164 164 ILE N N 15 114.390 . . . . . . A 164 ILE N . 19945 1 1901 . 1 1 165 165 SER H H 1 8.278 . . . . . . A 165 SER H . 19945 1 1902 . 1 1 165 165 SER HA H 1 3.976 . . . . . . A 165 SER HA . 19945 1 1903 . 1 1 165 165 SER HB2 H 1 4.087 . . . . . . A 165 SER HB2 . 19945 1 1904 . 1 1 165 165 SER HB3 H 1 3.837 . . . . . . A 165 SER HB3 . 19945 1 1905 . 1 1 165 165 SER C C 13 176.438 . . . . . . A 165 SER C . 19945 1 1906 . 1 1 165 165 SER CA C 13 63.180 . . . . . . A 165 SER CA . 19945 1 1907 . 1 1 165 165 SER CB C 13 62.383 . . . . . . A 165 SER CB . 19945 1 1908 . 1 1 165 165 SER N N 15 119.660 . . . . . . A 165 SER N . 19945 1 1909 . 1 1 166 166 GLU H H 1 7.345 . . . . . . A 166 GLU H . 19945 1 1910 . 1 1 166 166 GLU HA H 1 4.210 . . . . . . A 166 GLU HA . 19945 1 1911 . 1 1 166 166 GLU HB2 H 1 2.205 . . . . . . A 166 GLU HB2 . 19945 1 1912 . 1 1 166 166 GLU HB3 H 1 2.243 . . . . . . A 166 GLU HB3 . 19945 1 1913 . 1 1 166 166 GLU HG2 H 1 2.250 . . . . . . A 166 GLU HG2 . 19945 1 1914 . 1 1 166 166 GLU HG3 H 1 2.455 . . . . . . A 166 GLU HG3 . 19945 1 1915 . 1 1 166 166 GLU C C 13 179.965 . . . . . . A 166 GLU C . 19945 1 1916 . 1 1 166 166 GLU CA C 13 59.195 . . . . . . A 166 GLU CA . 19945 1 1917 . 1 1 166 166 GLU CB C 13 29.244 . . . . . . A 166 GLU CB . 19945 1 1918 . 1 1 166 166 GLU CG C 13 36.083 . . . . . . A 166 GLU CG . 19945 1 1919 . 1 1 166 166 GLU N N 15 122.290 . . . . . . A 166 GLU N . 19945 1 1920 . 1 1 167 167 GLU H H 1 8.413 . . . . . . A 167 GLU H . 19945 1 1921 . 1 1 167 167 GLU HA H 1 3.939 . . . . . . A 167 GLU HA . 19945 1 1922 . 1 1 167 167 GLU HB2 H 1 1.953 . . . . . . A 167 GLU HB2 . 19945 1 1923 . 1 1 167 167 GLU HB3 H 1 2.042 . . . . . . A 167 GLU HB3 . 19945 1 1924 . 1 1 167 167 GLU HG2 H 1 2.212 . . . . . . A 167 GLU HG2 . 19945 1 1925 . 1 1 167 167 GLU HG3 H 1 2.652 . . . . . . A 167 GLU HG3 . 19945 1 1926 . 1 1 167 167 GLU C C 13 178.518 . . . . . . A 167 GLU C . 19945 1 1927 . 1 1 167 167 GLU CA C 13 60.000 . . . . . . A 167 GLU CA . 19945 1 1928 . 1 1 167 167 GLU CB C 13 30.800 . . . . . . A 167 GLU CB . 19945 1 1929 . 1 1 167 167 GLU CG C 13 38.208 . . . . . . A 167 GLU CG . 19945 1 1930 . 1 1 167 167 GLU N N 15 120.787 . . . . . . A 167 GLU N . 19945 1 1931 . 1 1 168 168 LEU H H 1 8.553 . . . . . . A 168 LEU H . 19945 1 1932 . 1 1 168 168 LEU HA H 1 4.137 . . . . . . A 168 LEU HA . 19945 1 1933 . 1 1 168 168 LEU HB2 H 1 1.487 . . . . . . A 168 LEU HB2 . 19945 1 1934 . 1 1 168 168 LEU HB3 H 1 1.823 . . . . . . A 168 LEU HB3 . 19945 1 1935 . 1 1 168 168 LEU HG H 1 1.730 . . . . . . A 168 LEU HG . 19945 1 1936 . 1 1 168 168 LEU HD11 H 1 0.846 . . . . . . A 168 LEU HD11 . 19945 1 1937 . 1 1 168 168 LEU HD12 H 1 0.846 . . . . . . A 168 LEU HD12 . 19945 1 1938 . 1 1 168 168 LEU HD13 H 1 0.846 . . . . . . A 168 LEU HD13 . 19945 1 1939 . 1 1 168 168 LEU HD21 H 1 0.580 . . . . . . A 168 LEU HD21 . 19945 1 1940 . 1 1 168 168 LEU HD22 H 1 0.580 . . . . . . A 168 LEU HD22 . 19945 1 1941 . 1 1 168 168 LEU HD23 H 1 0.580 . . . . . . A 168 LEU HD23 . 19945 1 1942 . 1 1 168 168 LEU C C 13 175.896 . . . . . . A 168 LEU C . 19945 1 1943 . 1 1 168 168 LEU CA C 13 54.780 . . . . . . A 168 LEU CA . 19945 1 1944 . 1 1 168 168 LEU CB C 13 43.300 . . . . . . A 168 LEU CB . 19945 1 1945 . 1 1 168 168 LEU CG C 13 25.592 . . . . . . A 168 LEU CG . 19945 1 1946 . 1 1 168 168 LEU CD1 C 13 25.988 . . . . . . A 168 LEU CD1 . 19945 1 1947 . 1 1 168 168 LEU CD2 C 13 25.191 . . . . . . A 168 LEU CD2 . 19945 1 1948 . 1 1 168 168 LEU N N 15 115.420 . . . . . . A 168 LEU N . 19945 1 1949 . 1 1 169 169 HIS H H 1 7.550 . . . . . . A 169 HIS H . 19945 1 1950 . 1 1 169 169 HIS HA H 1 4.351 . . . . . . A 169 HIS HA . 19945 1 1951 . 1 1 169 169 HIS HB2 H 1 3.361 . . . . . . A 169 HIS HB2 . 19945 1 1952 . 1 1 169 169 HIS HB3 H 1 3.598 . . . . . . A 169 HIS HB3 . 19945 1 1953 . 1 1 169 169 HIS HD2 H 1 7.237 . . . . . . A 169 HIS HD2 . 19945 1 1954 . 1 1 169 169 HIS C C 13 175.835 . . . . . . A 169 HIS C . 19945 1 1955 . 1 1 169 169 HIS CA C 13 56.273 . . . . . . A 169 HIS CA . 19945 1 1956 . 1 1 169 169 HIS CB C 13 25.722 . . . . . . A 169 HIS CB . 19945 1 1957 . 1 1 169 169 HIS CD2 C 13 120.700 . . . . . . A 169 HIS CD2 . 19945 1 1958 . 1 1 169 169 HIS N N 15 113.347 . . . . . . A 169 HIS N . 19945 1 1959 . 1 1 170 170 LEU H H 1 8.069 . . . . . . A 170 LEU H . 19945 1 1960 . 1 1 170 170 LEU HA H 1 4.003 . . . . . . A 170 LEU HA . 19945 1 1961 . 1 1 170 170 LEU HB2 H 1 1.619 . . . . . . A 170 LEU HB2 . 19945 1 1962 . 1 1 170 170 LEU HB3 H 1 1.705 . . . . . . A 170 LEU HB3 . 19945 1 1963 . 1 1 170 170 LEU HG H 1 1.744 . . . . . . A 170 LEU HG . 19945 1 1964 . 1 1 170 170 LEU HD11 H 1 0.829 . . . . . . A 170 LEU HD11 . 19945 1 1965 . 1 1 170 170 LEU HD12 H 1 0.829 . . . . . . A 170 LEU HD12 . 19945 1 1966 . 1 1 170 170 LEU HD13 H 1 0.829 . . . . . . A 170 LEU HD13 . 19945 1 1967 . 1 1 170 170 LEU HD21 H 1 0.797 . . . . . . A 170 LEU HD21 . 19945 1 1968 . 1 1 170 170 LEU HD22 H 1 0.797 . . . . . . A 170 LEU HD22 . 19945 1 1969 . 1 1 170 170 LEU HD23 H 1 0.797 . . . . . . A 170 LEU HD23 . 19945 1 1970 . 1 1 170 170 LEU C C 13 178.096 . . . . . . A 170 LEU C . 19945 1 1971 . 1 1 170 170 LEU CA C 13 57.968 . . . . . . A 170 LEU CA . 19945 1 1972 . 1 1 170 170 LEU CB C 13 41.858 . . . . . . A 170 LEU CB . 19945 1 1973 . 1 1 170 170 LEU CG C 13 27.000 . . . . . . A 170 LEU CG . 19945 1 1974 . 1 1 170 170 LEU CD1 C 13 24.877 . . . . . . A 170 LEU CD1 . 19945 1 1975 . 1 1 170 170 LEU CD2 C 13 23.597 . . . . . . A 170 LEU CD2 . 19945 1 1976 . 1 1 170 170 LEU N N 15 117.250 . . . . . . A 170 LEU N . 19945 1 1977 . 1 1 171 171 ASP H H 1 8.732 . . . . . . A 171 ASP H . 19945 1 1978 . 1 1 171 171 ASP HA H 1 4.335 . . . . . . A 171 ASP HA . 19945 1 1979 . 1 1 171 171 ASP HB2 H 1 2.654 . . . . . . A 171 ASP HB2 . 19945 1 1980 . 1 1 171 171 ASP C C 13 177.915 . . . . . . A 171 ASP C . 19945 1 1981 . 1 1 171 171 ASP CA C 13 56.690 . . . . . . A 171 ASP CA . 19945 1 1982 . 1 1 171 171 ASP CB C 13 40.060 . . . . . . A 171 ASP CB . 19945 1 1983 . 1 1 171 171 ASP N N 15 117.300 . . . . . . A 171 ASP N . 19945 1 1984 . 1 1 172 172 GLU H H 1 7.804 . . . . . . A 172 GLU H . 19945 1 1985 . 1 1 172 172 GLU HA H 1 4.227 . . . . . . A 172 GLU HA . 19945 1 1986 . 1 1 172 172 GLU HB2 H 1 2.190 . . . . . . A 172 GLU HB2 . 19945 1 1987 . 1 1 172 172 GLU HG2 H 1 2.362 . . . . . . A 172 GLU HG2 . 19945 1 1988 . 1 1 172 172 GLU C C 13 178.277 . . . . . . A 172 GLU C . 19945 1 1989 . 1 1 172 172 GLU CA C 13 58.132 . . . . . . A 172 GLU CA . 19945 1 1990 . 1 1 172 172 GLU CB C 13 30.000 . . . . . . A 172 GLU CB . 19945 1 1991 . 1 1 172 172 GLU CG C 13 36.660 . . . . . . A 172 GLU CG . 19945 1 1992 . 1 1 172 172 GLU N N 15 119.203 . . . . . . A 172 GLU N . 19945 1 1993 . 1 1 173 173 ILE H H 1 7.787 . . . . . . A 173 ILE H . 19945 1 1994 . 1 1 173 173 ILE HA H 1 4.053 . . . . . . A 173 ILE HA . 19945 1 1995 . 1 1 173 173 ILE HB H 1 1.986 . . . . . . A 173 ILE HB . 19945 1 1996 . 1 1 173 173 ILE HG12 H 1 1.728 . . . . . . A 173 ILE HG12 . 19945 1 1997 . 1 1 173 173 ILE HG13 H 1 1.274 . . . . . . A 173 ILE HG13 . 19945 1 1998 . 1 1 173 173 ILE HG21 H 1 1.016 . . . . . . A 173 ILE HG21 . 19945 1 1999 . 1 1 173 173 ILE HG22 H 1 1.016 . . . . . . A 173 ILE HG22 . 19945 1 2000 . 1 1 173 173 ILE HG23 H 1 1.016 . . . . . . A 173 ILE HG23 . 19945 1 2001 . 1 1 173 173 ILE HD11 H 1 0.964 . . . . . . A 173 ILE HD11 . 19945 1 2002 . 1 1 173 173 ILE HD12 H 1 0.964 . . . . . . A 173 ILE HD12 . 19945 1 2003 . 1 1 173 173 ILE HD13 H 1 0.964 . . . . . . A 173 ILE HD13 . 19945 1 2004 . 1 1 173 173 ILE C C 13 178.006 . . . . . . A 173 ILE C . 19945 1 2005 . 1 1 173 173 ILE CA C 13 63.600 . . . . . . A 173 ILE CA . 19945 1 2006 . 1 1 173 173 ILE CB C 13 39.000 . . . . . . A 173 ILE CB . 19945 1 2007 . 1 1 173 173 ILE CG1 C 13 27.848 . . . . . . A 173 ILE CG1 . 19945 1 2008 . 1 1 173 173 ILE CG2 C 13 17.753 . . . . . . A 173 ILE CG2 . 19945 1 2009 . 1 1 173 173 ILE CD1 C 13 13.700 . . . . . . A 173 ILE CD1 . 19945 1 2010 . 1 1 173 173 ILE N N 15 119.519 . . . . . . A 173 ILE N . 19945 1 2011 . 1 1 174 174 LEU H H 1 8.241 . . . . . . A 174 LEU H . 19945 1 2012 . 1 1 174 174 LEU HA H 1 4.286 . . . . . . A 174 LEU HA . 19945 1 2013 . 1 1 174 174 LEU HB2 H 1 1.799 . . . . . . A 174 LEU HB2 . 19945 1 2014 . 1 1 174 174 LEU HB3 H 1 1.589 . . . . . . A 174 LEU HB3 . 19945 1 2015 . 1 1 174 174 LEU HG H 1 1.794 . . . . . . A 174 LEU HG . 19945 1 2016 . 1 1 174 174 LEU HD11 H 1 0.955 . . . . . . A 174 LEU HD11 . 19945 1 2017 . 1 1 174 174 LEU HD12 H 1 0.955 . . . . . . A 174 LEU HD12 . 19945 1 2018 . 1 1 174 174 LEU HD13 H 1 0.955 . . . . . . A 174 LEU HD13 . 19945 1 2019 . 1 1 174 174 LEU HD21 H 1 0.976 . . . . . . A 174 LEU HD21 . 19945 1 2020 . 1 1 174 174 LEU HD22 H 1 0.976 . . . . . . A 174 LEU HD22 . 19945 1 2021 . 1 1 174 174 LEU HD23 H 1 0.976 . . . . . . A 174 LEU HD23 . 19945 1 2022 . 1 1 174 174 LEU C C 13 177.704 . . . . . . A 174 LEU C . 19945 1 2023 . 1 1 174 174 LEU CA C 13 56.273 . . . . . . A 174 LEU CA . 19945 1 2024 . 1 1 174 174 LEU CB C 13 42.459 . . . . . . A 174 LEU CB . 19945 1 2025 . 1 1 174 174 LEU CG C 13 26.935 . . . . . . A 174 LEU CG . 19945 1 2026 . 1 1 174 174 LEU CD1 C 13 25.722 . . . . . . A 174 LEU CD1 . 19945 1 2027 . 1 1 174 174 LEU CD2 C 13 23.597 . . . . . . A 174 LEU CD2 . 19945 1 2028 . 1 1 174 174 LEU N N 15 121.260 . . . . . . A 174 LEU N . 19945 1 2029 . 1 1 175 175 ASN H H 1 7.883 . . . . . . A 175 ASN H . 19945 1 2030 . 1 1 175 175 ASN HA H 1 4.829 . . . . . . A 175 ASN HA . 19945 1 2031 . 1 1 175 175 ASN HB2 H 1 2.760 . . . . . . A 175 ASN HB2 . 19945 1 2032 . 1 1 175 175 ASN HB3 H 1 2.926 . . . . . . A 175 ASN HB3 . 19945 1 2033 . 1 1 175 175 ASN HD21 H 1 7.726 . . . . . . A 175 ASN HD21 . 19945 1 2034 . 1 1 175 175 ASN HD22 H 1 6.932 . . . . . . A 175 ASN HD22 . 19945 1 2035 . 1 1 175 175 ASN C C 13 173.846 . . . . . . A 175 ASN C . 19945 1 2036 . 1 1 175 175 ASN CA C 13 53.222 . . . . . . A 175 ASN CA . 19945 1 2037 . 1 1 175 175 ASN CB C 13 39.271 . . . . . . A 175 ASN CB . 19945 1 2038 . 1 1 175 175 ASN N N 15 118.280 . . . . . . A 175 ASN N . 19945 1 2039 . 1 1 175 175 ASN ND2 N 15 114.499 . . . . . . A 175 ASN ND2 . 19945 1 2040 . 1 1 176 176 ALA H H 1 7.588 . . . . . . A 176 ALA H . 19945 1 2041 . 1 1 176 176 ALA HA H 1 4.146 . . . . . . A 176 ALA HA . 19945 1 2042 . 1 1 176 176 ALA HB1 H 1 1.428 . . . . . . A 176 ALA HB1 . 19945 1 2043 . 1 1 176 176 ALA HB2 H 1 1.428 . . . . . . A 176 ALA HB2 . 19945 1 2044 . 1 1 176 176 ALA HB3 H 1 1.428 . . . . . . A 176 ALA HB3 . 19945 1 2045 . 1 1 176 176 ALA C C 13 182.708 . . . . . . A 176 ALA C . 19945 1 2046 . 1 1 176 176 ALA CA C 13 54.413 . . . . . . A 176 ALA CA . 19945 1 2047 . 1 1 176 176 ALA CB C 13 20.140 . . . . . . A 176 ALA CB . 19945 1 2048 . 1 1 176 176 ALA N N 15 129.933 . . . . . . A 176 ALA N . 19945 1 stop_ save_