data_5062 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5062 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignment for Unfolded HIV-1 protease tethered dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-06-19 _Entry.Accession_date 2001-06-19 _Entry.Last_release_date 2002-01-23 _Entry.Original_release_date 2002-01-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Neel Bhavesh . Sarovar . 5062 2 Sanjay Panchal . C. . 5062 3 Rohit Mittal . . . 5062 4 Ramkrishna Hosur . V. . 5062 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5062 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 569 5062 '15N chemical shifts' 191 5062 '1H chemical shifts' 190 5062 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 . . 2002-01-23 2001-06-19 original author . 5062 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5062 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21617172 _Citation.DOI . _Citation.PubMed_ID 11741592 _Citation.Full_citation . _Citation.Title ; NMR Identification of local Structural Preferences in HIV-I Protease Tethered Heterodimer in 6 M Guanidine Hydrochloride ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 509 _Citation.Journal_issue 2 _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 218 _Citation.Page_last 224 _Citation.Year 2001 _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 Neel Bhavesh . Sarovar . 5062 1 2 Sanjay Panchal . C. . 5062 1 3 Rohit Mittal . . . 5062 1 4 Ramkrishna Hosur . V. . 5062 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'denatured/unfolded protein' 5062 1 'Guanidine hydrochloride' 5062 1 'HIV-1 protease' 5062 1 HN(C)N 5062 1 HNN 5062 1 'residual structure' 5062 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HIV-1_protease _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HIV-1_protease _Assembly.Entry_ID 5062 _Assembly.ID 1 _Assembly.Name 'HIV-1 protease tethered dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5062 1 stop_ 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 'HIV-1 protease' 1 $HIV-1_protease . . . denatured . . . . . 5062 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1G6L . . . . . 'X-ray structure of C195A mutation' 5062 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HIV-1 protease' abbreviation 5062 1 'HIV-1 protease tethered dimer' system 5062 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-1_protease _Entity.Sf_category entity _Entity.Sf_framecode HIV-1_protease _Entity.Entry_ID 5062 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HIV-1 protease' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PQVTLWQRPLVTIKIGGQLK EALLDTGADDTVLEEMSLPG RWKPKMIGGIGGFIKVRQYD QILIEICAHKAIGTVLVGPT PVNIIGRNLLTQIGMTLNFG GSSGPQVTLWQRPLVTIKIG GQLKEALLDTGADDTVLEEM SLPGRWKPKMIGGIGGFIKV RQYDQILIEICAHKAIGTVL VGPTPVNIIGRNLLTQIGAT LNF ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 203 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21971 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4356 . HIV-1_protease . . . . . 100.00 203 98.03 98.03 5.12e-136 . . . . 5062 1 2 no PDB 1G6L . "1.9a Crystal Structure Of Tethered Hiv-1 Protease" . . . . . 100.00 203 98.52 98.52 3.75e-137 . . . . 5062 1 3 no PDB 1LV1 . "Crystal Structure Analysis Of The Non-Active Site Mutant Of Tethered Hiv-1 Protease To 2.1a Resolution" . . . . . 100.00 203 99.01 99.01 4.60e-138 . . . . 5062 1 4 no PDB 2WHH . "Hiv-1 Protease Tethered Dimer Q-Product Complex Along With Nucleophilic Water Molecule" . . . . . 100.00 203 99.01 99.01 4.60e-138 . . . . 5062 1 5 no PDB 3DOX . "X-Ray Structure Of Hiv-1 Protease In Situ Product Complex" . . . . . 100.00 203 99.01 99.01 4.60e-138 . . . . 5062 1 6 no PDB 3KT2 . "Crystal Structure Of N88d Mutant Hiv-1 Protease" . . . . . 100.00 203 97.54 98.52 7.03e-136 . . . . 5062 1 7 no PDB 3KT5 . "Crystal Structure Of N88s Mutant Hiv-1 Protease" . . . . . 100.00 203 97.54 98.52 1.02e-135 . . . . 5062 1 8 no PDB 3N3I . "Crystal Structure Of G48v/c95f Tethered Hiv-1 Protease/saquinavir Complex" . . . . . 100.00 203 97.04 97.04 5.45e-134 . . . . 5062 1 9 no PDB 4QLH . "Crystal Structure Of Drug Resistant V82s/v1082s Hiv-1 Protease" . . . . . 100.00 203 97.54 97.54 7.92e-136 . . . . 5062 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C95M, C195A' variant 5062 1 'HIV-1 protease' common 5062 1 Protease abbreviation 5062 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 . PRO . 5062 1 2 . GLN . 5062 1 3 . VAL . 5062 1 4 . THR . 5062 1 5 . LEU . 5062 1 6 . TRP . 5062 1 7 . GLN . 5062 1 8 . ARG . 5062 1 9 . PRO . 5062 1 10 . LEU . 5062 1 11 . VAL . 5062 1 12 . THR . 5062 1 13 . ILE . 5062 1 14 . LYS . 5062 1 15 . ILE . 5062 1 16 . GLY . 5062 1 17 . GLY . 5062 1 18 . GLN . 5062 1 19 . LEU . 5062 1 20 . LYS . 5062 1 21 . GLU . 5062 1 22 . ALA . 5062 1 23 . LEU . 5062 1 24 . LEU . 5062 1 25 . ASP . 5062 1 26 . THR . 5062 1 27 . GLY . 5062 1 28 . ALA . 5062 1 29 . ASP . 5062 1 30 . ASP . 5062 1 31 . THR . 5062 1 32 . VAL . 5062 1 33 . LEU . 5062 1 34 . GLU . 5062 1 35 . GLU . 5062 1 36 . MET . 5062 1 37 . SER . 5062 1 38 . LEU . 5062 1 39 . PRO . 5062 1 40 . GLY . 5062 1 41 . ARG . 5062 1 42 . TRP . 5062 1 43 . LYS . 5062 1 44 . PRO . 5062 1 45 . LYS . 5062 1 46 . MET . 5062 1 47 . ILE . 5062 1 48 . GLY . 5062 1 49 . GLY . 5062 1 50 . ILE . 5062 1 51 . GLY . 5062 1 52 . GLY . 5062 1 53 . PHE . 5062 1 54 . ILE . 5062 1 55 . LYS . 5062 1 56 . VAL . 5062 1 57 . ARG . 5062 1 58 . GLN . 5062 1 59 . TYR . 5062 1 60 . ASP . 5062 1 61 . GLN . 5062 1 62 . ILE . 5062 1 63 . LEU . 5062 1 64 . ILE . 5062 1 65 . GLU . 5062 1 66 . ILE . 5062 1 67 . CYS . 5062 1 68 . ALA . 5062 1 69 . HIS . 5062 1 70 . LYS . 5062 1 71 . ALA . 5062 1 72 . ILE . 5062 1 73 . GLY . 5062 1 74 . THR . 5062 1 75 . VAL . 5062 1 76 . LEU . 5062 1 77 . VAL . 5062 1 78 . GLY . 5062 1 79 . PRO . 5062 1 80 . THR . 5062 1 81 . PRO . 5062 1 82 . VAL . 5062 1 83 . ASN . 5062 1 84 . ILE . 5062 1 85 . ILE . 5062 1 86 . GLY . 5062 1 87 . ARG . 5062 1 88 . ASN . 5062 1 89 . LEU . 5062 1 90 . LEU . 5062 1 91 . THR . 5062 1 92 . GLN . 5062 1 93 . ILE . 5062 1 94 . GLY . 5062 1 95 . MET . 5062 1 96 . THR . 5062 1 97 . LEU . 5062 1 98 . ASN . 5062 1 99 . PHE . 5062 1 100 . GLY . 5062 1 101 . GLY . 5062 1 102 . SER . 5062 1 103 . SER . 5062 1 104 . GLY . 5062 1 105 . PRO . 5062 1 106 . GLN . 5062 1 107 . VAL . 5062 1 108 . THR . 5062 1 109 . LEU . 5062 1 110 . TRP . 5062 1 111 . GLN . 5062 1 112 . ARG . 5062 1 113 . PRO . 5062 1 114 . LEU . 5062 1 115 . VAL . 5062 1 116 . THR . 5062 1 117 . ILE . 5062 1 118 . LYS . 5062 1 119 . ILE . 5062 1 120 . GLY . 5062 1 121 . GLY . 5062 1 122 . GLN . 5062 1 123 . LEU . 5062 1 124 . LYS . 5062 1 125 . GLU . 5062 1 126 . ALA . 5062 1 127 . LEU . 5062 1 128 . LEU . 5062 1 129 . ASP . 5062 1 130 . THR . 5062 1 131 . GLY . 5062 1 132 . ALA . 5062 1 133 . ASP . 5062 1 134 . ASP . 5062 1 135 . THR . 5062 1 136 . VAL . 5062 1 137 . LEU . 5062 1 138 . GLU . 5062 1 139 . GLU . 5062 1 140 . MET . 5062 1 141 . SER . 5062 1 142 . LEU . 5062 1 143 . PRO . 5062 1 144 . GLY . 5062 1 145 . ARG . 5062 1 146 . TRP . 5062 1 147 . LYS . 5062 1 148 . PRO . 5062 1 149 . LYS . 5062 1 150 . MET . 5062 1 151 . ILE . 5062 1 152 . GLY . 5062 1 153 . GLY . 5062 1 154 . ILE . 5062 1 155 . GLY . 5062 1 156 . GLY . 5062 1 157 . PHE . 5062 1 158 . ILE . 5062 1 159 . LYS . 5062 1 160 . VAL . 5062 1 161 . ARG . 5062 1 162 . GLN . 5062 1 163 . TYR . 5062 1 164 . ASP . 5062 1 165 . GLN . 5062 1 166 . ILE . 5062 1 167 . LEU . 5062 1 168 . ILE . 5062 1 169 . GLU . 5062 1 170 . ILE . 5062 1 171 . CYS . 5062 1 172 . ALA . 5062 1 173 . HIS . 5062 1 174 . LYS . 5062 1 175 . ALA . 5062 1 176 . ILE . 5062 1 177 . GLY . 5062 1 178 . THR . 5062 1 179 . VAL . 5062 1 180 . LEU . 5062 1 181 . VAL . 5062 1 182 . GLY . 5062 1 183 . PRO . 5062 1 184 . THR . 5062 1 185 . PRO . 5062 1 186 . VAL . 5062 1 187 . ASN . 5062 1 188 . ILE . 5062 1 189 . ILE . 5062 1 190 . GLY . 5062 1 191 . ARG . 5062 1 192 . ASN . 5062 1 193 . LEU . 5062 1 194 . LEU . 5062 1 195 . THR . 5062 1 196 . GLN . 5062 1 197 . ILE . 5062 1 198 . GLY . 5062 1 199 . ALA . 5062 1 200 . THR . 5062 1 201 . LEU . 5062 1 202 . ASN . 5062 1 203 . PHE . 5062 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 . PRO 1 1 5062 1 . GLN 2 2 5062 1 . VAL 3 3 5062 1 . THR 4 4 5062 1 . LEU 5 5 5062 1 . TRP 6 6 5062 1 . GLN 7 7 5062 1 . ARG 8 8 5062 1 . PRO 9 9 5062 1 . LEU 10 10 5062 1 . VAL 11 11 5062 1 . THR 12 12 5062 1 . ILE 13 13 5062 1 . LYS 14 14 5062 1 . ILE 15 15 5062 1 . GLY 16 16 5062 1 . GLY 17 17 5062 1 . GLN 18 18 5062 1 . LEU 19 19 5062 1 . LYS 20 20 5062 1 . GLU 21 21 5062 1 . ALA 22 22 5062 1 . LEU 23 23 5062 1 . LEU 24 24 5062 1 . ASP 25 25 5062 1 . THR 26 26 5062 1 . GLY 27 27 5062 1 . ALA 28 28 5062 1 . ASP 29 29 5062 1 . ASP 30 30 5062 1 . THR 31 31 5062 1 . VAL 32 32 5062 1 . LEU 33 33 5062 1 . GLU 34 34 5062 1 . GLU 35 35 5062 1 . MET 36 36 5062 1 . SER 37 37 5062 1 . LEU 38 38 5062 1 . PRO 39 39 5062 1 . GLY 40 40 5062 1 . ARG 41 41 5062 1 . TRP 42 42 5062 1 . LYS 43 43 5062 1 . PRO 44 44 5062 1 . LYS 45 45 5062 1 . MET 46 46 5062 1 . ILE 47 47 5062 1 . GLY 48 48 5062 1 . GLY 49 49 5062 1 . ILE 50 50 5062 1 . GLY 51 51 5062 1 . GLY 52 52 5062 1 . PHE 53 53 5062 1 . ILE 54 54 5062 1 . LYS 55 55 5062 1 . VAL 56 56 5062 1 . ARG 57 57 5062 1 . GLN 58 58 5062 1 . TYR 59 59 5062 1 . ASP 60 60 5062 1 . GLN 61 61 5062 1 . ILE 62 62 5062 1 . LEU 63 63 5062 1 . ILE 64 64 5062 1 . GLU 65 65 5062 1 . ILE 66 66 5062 1 . CYS 67 67 5062 1 . ALA 68 68 5062 1 . HIS 69 69 5062 1 . LYS 70 70 5062 1 . ALA 71 71 5062 1 . ILE 72 72 5062 1 . GLY 73 73 5062 1 . THR 74 74 5062 1 . VAL 75 75 5062 1 . LEU 76 76 5062 1 . VAL 77 77 5062 1 . GLY 78 78 5062 1 . PRO 79 79 5062 1 . THR 80 80 5062 1 . PRO 81 81 5062 1 . VAL 82 82 5062 1 . ASN 83 83 5062 1 . ILE 84 84 5062 1 . ILE 85 85 5062 1 . GLY 86 86 5062 1 . ARG 87 87 5062 1 . ASN 88 88 5062 1 . LEU 89 89 5062 1 . LEU 90 90 5062 1 . THR 91 91 5062 1 . GLN 92 92 5062 1 . ILE 93 93 5062 1 . GLY 94 94 5062 1 . MET 95 95 5062 1 . THR 96 96 5062 1 . LEU 97 97 5062 1 . ASN 98 98 5062 1 . PHE 99 99 5062 1 . GLY 100 100 5062 1 . GLY 101 101 5062 1 . SER 102 102 5062 1 . SER 103 103 5062 1 . GLY 104 104 5062 1 . PRO 105 105 5062 1 . GLN 106 106 5062 1 . VAL 107 107 5062 1 . THR 108 108 5062 1 . LEU 109 109 5062 1 . TRP 110 110 5062 1 . GLN 111 111 5062 1 . ARG 112 112 5062 1 . PRO 113 113 5062 1 . LEU 114 114 5062 1 . VAL 115 115 5062 1 . THR 116 116 5062 1 . ILE 117 117 5062 1 . LYS 118 118 5062 1 . ILE 119 119 5062 1 . GLY 120 120 5062 1 . GLY 121 121 5062 1 . GLN 122 122 5062 1 . LEU 123 123 5062 1 . LYS 124 124 5062 1 . GLU 125 125 5062 1 . ALA 126 126 5062 1 . LEU 127 127 5062 1 . LEU 128 128 5062 1 . ASP 129 129 5062 1 . THR 130 130 5062 1 . GLY 131 131 5062 1 . ALA 132 132 5062 1 . ASP 133 133 5062 1 . ASP 134 134 5062 1 . THR 135 135 5062 1 . VAL 136 136 5062 1 . LEU 137 137 5062 1 . GLU 138 138 5062 1 . GLU 139 139 5062 1 . MET 140 140 5062 1 . SER 141 141 5062 1 . LEU 142 142 5062 1 . PRO 143 143 5062 1 . GLY 144 144 5062 1 . ARG 145 145 5062 1 . TRP 146 146 5062 1 . LYS 147 147 5062 1 . PRO 148 148 5062 1 . LYS 149 149 5062 1 . MET 150 150 5062 1 . ILE 151 151 5062 1 . GLY 152 152 5062 1 . GLY 153 153 5062 1 . ILE 154 154 5062 1 . GLY 155 155 5062 1 . GLY 156 156 5062 1 . PHE 157 157 5062 1 . ILE 158 158 5062 1 . LYS 159 159 5062 1 . VAL 160 160 5062 1 . ARG 161 161 5062 1 . GLN 162 162 5062 1 . TYR 163 163 5062 1 . ASP 164 164 5062 1 . GLN 165 165 5062 1 . ILE 166 166 5062 1 . LEU 167 167 5062 1 . ILE 168 168 5062 1 . GLU 169 169 5062 1 . ILE 170 170 5062 1 . CYS 171 171 5062 1 . ALA 172 172 5062 1 . HIS 173 173 5062 1 . LYS 174 174 5062 1 . ALA 175 175 5062 1 . ILE 176 176 5062 1 . GLY 177 177 5062 1 . THR 178 178 5062 1 . VAL 179 179 5062 1 . LEU 180 180 5062 1 . VAL 181 181 5062 1 . GLY 182 182 5062 1 . PRO 183 183 5062 1 . THR 184 184 5062 1 . PRO 185 185 5062 1 . VAL 186 186 5062 1 . ASN 187 187 5062 1 . ILE 188 188 5062 1 . ILE 189 189 5062 1 . GLY 190 190 5062 1 . ARG 191 191 5062 1 . ASN 192 192 5062 1 . LEU 193 193 5062 1 . LEU 194 194 5062 1 . THR 195 195 5062 1 . GLN 196 196 5062 1 . ILE 197 197 5062 1 . GLY 198 198 5062 1 . ALA 199 199 5062 1 . THR 200 200 5062 1 . LEU 201 201 5062 1 . ASN 202 202 5062 1 . PHE 203 203 5062 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5062 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HIV-1_protease . 11676 organism . 'Lentivirus Lentivirus' HIV-1 . . Viruses . Lentivirus Lentivirus . . . . . . . . 11676 . . . . . . . gag-pol . . . . 5062 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 5062 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HIV-1_protease . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . 37762 plasmid . . pET11a . . . . . . 5062 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5062 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'HIV-1 protease' '[U-95% 13C; U-90% 15N]' . . 1 $HIV-1_protease . . 1.2 . . mM . . . . 5062 1 2 'guanidine hydrochloride' . . . . . . . 6 . . M . . . . 5062 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5062 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.2 0.1 n/a 5062 1 temperature 305 0.1 K 5062 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5062 _Software.ID 1 _Software.Name FELIX _Software.Version 97 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5062 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5062 _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 NMR_spectrometer Varian UNITYplus . 600 . . . 5062 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 5062 _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 'Two new pulse sequences HNN, HN(C)N were used to get HN, NH assignments' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5062 1 2 'in this poorly amide proton dispersed spectra in unfolded condition.' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5062 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__6_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__6_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__6_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__6_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__7_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__7_1 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__7_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__7_2 _NMR_spec_expt.Entry_ID 5062 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $FELIX _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5062 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 external indirect 1.0 external cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5062 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.10132905 external cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5062 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5062 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5062 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CB C 13 37.23 0.10 . 1 . . . . . . . . 5062 1 2 . 1 1 1 1 PRO C C 13 176.69 0.10 . 1 . . . . . . . . 5062 1 3 . 1 1 1 1 PRO CA C 13 56.20 0.10 . 1 . . . . . . . . 5062 1 4 . 1 1 2 2 GLN H H 1 8.72 0.02 . 1 . . . . . . . . 5062 1 5 . 1 1 2 2 GLN CB C 13 33.57 0.10 . 1 . . . . . . . . 5062 1 6 . 1 1 2 2 GLN C C 13 176.05 0.10 . 1 . . . . . . . . 5062 1 7 . 1 1 2 2 GLN CA C 13 53.15 0.10 . 1 . . . . . . . . 5062 1 8 . 1 1 2 2 GLN N N 15 120.53 0.05 . 1 . . . . . . . . 5062 1 9 . 1 1 3 3 VAL H H 1 8.34 0.02 . 1 . . . . . . . . 5062 1 10 . 1 1 3 3 VAL CB C 13 33.92 0.10 . 1 . . . . . . . . 5062 1 11 . 1 1 3 3 VAL C C 13 176.23 0.10 . 1 . . . . . . . . 5062 1 12 . 1 1 3 3 VAL CA C 13 60.63 0.10 . 1 . . . . . . . . 5062 1 13 . 1 1 3 3 VAL N N 15 120.58 0.05 . 1 . . . . . . . . 5062 1 14 . 1 1 4 4 THR H H 1 8.39 0.02 . 1 . . . . . . . . 5062 1 15 . 1 1 4 4 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 16 . 1 1 4 4 THR C C 13 177.02 0.10 . 1 . . . . . . . . 5062 1 17 . 1 1 4 4 THR CA C 13 61.38 0.10 . 1 . . . . . . . . 5062 1 18 . 1 1 4 4 THR N N 15 118.98 0.05 . 1 . . . . . . . . 5062 1 19 . 1 1 5 5 LEU H H 1 8.61 0.03 . 1 . . . . . . . . 5062 1 20 . 1 1 5 5 LEU CB C 13 43.63 0.10 . 1 . . . . . . . . 5062 1 21 . 1 1 5 5 LEU C C 13 175.34 0.10 . 1 . . . . . . . . 5062 1 22 . 1 1 5 5 LEU CA C 13 52.84 0.10 . 1 . . . . . . . . 5062 1 23 . 1 1 5 5 LEU N N 15 122.41 0.10 . 1 . . . . . . . . 5062 1 24 . 1 1 6 6 TRP H H 1 8.45 0.02 . 1 . . . . . . . . 5062 1 25 . 1 1 6 6 TRP CB C 13 31.92 0.10 . 1 . . . . . . . . 5062 1 26 . 1 1 6 6 TRP C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 27 . 1 1 6 6 TRP CA C 13 57.65 0.10 . 1 . . . . . . . . 5062 1 28 . 1 1 6 6 TRP N N 15 121.84 0.05 . 1 . . . . . . . . 5062 1 29 . 1 1 7 7 GLN H H 1 8.53 0.02 . 1 . . . . . . . . 5062 1 30 . 1 1 7 7 GLN CB C 13 31.27 0.10 . 1 . . . . . . . . 5062 1 31 . 1 1 7 7 GLN C C 13 176.37 0.10 . 1 . . . . . . . . 5062 1 32 . 1 1 7 7 GLN CA C 13 52.68 0.10 . 1 . . . . . . . . 5062 1 33 . 1 1 7 7 GLN N N 15 120.64 0.05 . 1 . . . . . . . . 5062 1 34 . 1 1 8 8 ARG H H 1 7.98 0.02 . 1 . . . . . . . . 5062 1 35 . 1 1 8 8 ARG CB C 13 31.27 0.10 . 1 . . . . . . . . 5062 1 36 . 1 1 8 8 ARG CA C 13 59.21 0.10 . 1 . . . . . . . . 5062 1 37 . 1 1 8 8 ARG N N 15 126.14 0.05 . 1 . . . . . . . . 5062 1 38 . 1 1 9 9 PRO CB C 13 32.28 0.10 . 1 . . . . . . . . 5062 1 39 . 1 1 9 9 PRO C C 13 177.60 0.10 . 1 . . . . . . . . 5062 1 40 . 1 1 9 9 PRO CA C 13 62.93 0.10 . 1 . . . . . . . . 5062 1 41 . 1 1 10 10 LEU H H 1 8.75 0.02 . 1 . . . . . . . . 5062 1 42 . 1 1 10 10 LEU CB C 13 43.48 0.10 . 1 . . . . . . . . 5062 1 43 . 1 1 10 10 LEU C C 13 177.40 0.10 . 1 . . . . . . . . 5062 1 44 . 1 1 10 10 LEU CA C 13 55.95 0.10 . 1 . . . . . . . . 5062 1 45 . 1 1 10 10 LEU N N 15 122.83 0.05 . 1 . . . . . . . . 5062 1 46 . 1 1 11 11 VAL H H 1 8.22 0.02 . 1 . . . . . . . . 5062 1 47 . 1 1 11 11 VAL CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 48 . 1 1 11 11 VAL C C 13 176.63 0.10 . 1 . . . . . . . . 5062 1 49 . 1 1 11 11 VAL CA C 13 61.85 0.10 . 1 . . . . . . . . 5062 1 50 . 1 1 11 11 VAL N N 15 122.22 0.05 . 1 . . . . . . . . 5062 1 51 . 1 1 12 12 THR H H 1 8.36 0.02 . 1 . . . . . . . . 5062 1 52 . 1 1 12 12 THR CB C 13 69.67 0.10 . 1 . . . . . . . . 5062 1 53 . 1 1 12 12 THR C C 13 174.88 0.10 . 1 . . . . . . . . 5062 1 54 . 1 1 12 12 THR CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 55 . 1 1 12 12 THR N N 15 118.76 0.05 . 1 . . . . . . . . 5062 1 56 . 1 1 13 13 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 5062 1 57 . 1 1 13 13 ILE CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 58 . 1 1 13 13 ILE C C 13 176.36 0.10 . 1 . . . . . . . . 5062 1 59 . 1 1 13 13 ILE CA C 13 60.76 0.10 . 1 . . . . . . . . 5062 1 60 . 1 1 13 13 ILE N N 15 124.63 0.05 . 1 . . . . . . . . 5062 1 61 . 1 1 14 14 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 5062 1 62 . 1 1 14 14 LYS CB C 13 33.33 0.10 . 1 . . . . . . . . 5062 1 63 . 1 1 14 14 LYS C C 13 175.79 0.10 . 1 . . . . . . . . 5062 1 64 . 1 1 14 14 LYS CA C 13 55.95 0.10 . 1 . . . . . . . . 5062 1 65 . 1 1 14 14 LYS N N 15 126.72 0.05 . 1 . . . . . . . . 5062 1 66 . 1 1 15 15 ILE H H 1 8.45 0.02 . 1 . . . . . . . . 5062 1 67 . 1 1 15 15 ILE CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 68 . 1 1 15 15 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 69 . 1 1 15 15 ILE CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 70 . 1 1 15 15 ILE N N 15 124.11 0.05 . 1 . . . . . . . . 5062 1 71 . 1 1 16 16 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 5062 1 72 . 1 1 16 16 GLY C C 13 175.07 0.10 . 1 . . . . . . . . 5062 1 73 . 1 1 16 16 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 74 . 1 1 16 16 GLY N N 15 114.21 0.05 . 1 . . . . . . . . 5062 1 75 . 1 1 17 17 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 5062 1 76 . 1 1 17 17 GLY C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 77 . 1 1 17 17 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 78 . 1 1 17 17 GLY N N 15 109.95 0.05 . 1 . . . . . . . . 5062 1 79 . 1 1 18 18 GLN H H 1 8.56 0.02 . 1 . . . . . . . . 5062 1 80 . 1 1 18 18 GLN CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 81 . 1 1 18 18 GLN C C 13 176.63 0.10 . 1 . . . . . . . . 5062 1 82 . 1 1 18 18 GLN CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 83 . 1 1 18 18 GLN N N 15 120.97 0.05 . 1 . . . . . . . . 5062 1 84 . 1 1 19 19 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 5062 1 85 . 1 1 19 19 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 86 . 1 1 19 19 LEU C C 13 175.14 0.10 . 1 . . . . . . . . 5062 1 87 . 1 1 19 19 LEU CA C 13 55.01 0.10 . 1 . . . . . . . . 5062 1 88 . 1 1 19 19 LEU N N 15 124.37 0.05 . 1 . . . . . . . . 5062 1 89 . 1 1 20 20 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 5062 1 90 . 1 1 20 20 LYS CB C 13 33.33 0.10 . 1 . . . . . . . . 5062 1 91 . 1 1 20 20 LYS C C 13 176.39 0.10 . 1 . . . . . . . . 5062 1 92 . 1 1 20 20 LYS CA C 13 56.05 0.10 . 1 . . . . . . . . 5062 1 93 . 1 1 20 20 LYS N N 15 123.41 0.05 . 1 . . . . . . . . 5062 1 94 . 1 1 21 21 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 5062 1 95 . 1 1 21 21 GLU CB C 13 30.53 0.10 . 1 . . . . . . . . 5062 1 96 . 1 1 21 21 GLU C C 13 175.01 0.10 . 1 . . . . . . . . 5062 1 97 . 1 1 21 21 GLU CA C 13 55.25 0.10 . 1 . . . . . . . . 5062 1 98 . 1 1 21 21 GLU N N 15 122.84 0.05 . 1 . . . . . . . . 5062 1 99 . 1 1 22 22 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 5062 1 100 . 1 1 22 22 ALA CB C 13 19.69 0.10 . 1 . . . . . . . . 5062 1 101 . 1 1 22 22 ALA C C 13 176.53 0.10 . 1 . . . . . . . . 5062 1 102 . 1 1 22 22 ALA CA C 13 52.06 0.10 . 1 . . . . . . . . 5062 1 103 . 1 1 22 22 ALA N N 15 125.33 0.05 . 1 . . . . . . . . 5062 1 104 . 1 1 23 23 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 5062 1 105 . 1 1 23 23 LEU CB C 13 43.33 0.10 . 1 . . . . . . . . 5062 1 106 . 1 1 23 23 LEU C C 13 176.50 0.10 . 1 . . . . . . . . 5062 1 107 . 1 1 23 23 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 108 . 1 1 23 23 LEU N N 15 122.60 0.05 . 1 . . . . . . . . 5062 1 109 . 1 1 24 24 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 5062 1 110 . 1 1 24 24 LEU CB C 13 42.53 0.10 . 1 . . . . . . . . 5062 1 111 . 1 1 24 24 LEU C C 13 177.60 0.10 . 1 . . . . . . . . 5062 1 112 . 1 1 24 24 LEU CA C 13 57.07 0.10 . 1 . . . . . . . . 5062 1 113 . 1 1 24 24 LEU N N 15 123.30 0.05 . 1 . . . . . . . . 5062 1 114 . 1 1 25 25 ASP H H 1 8.58 0.02 . 1 . . . . . . . . 5062 1 115 . 1 1 25 25 ASP CB C 13 40.02 0.10 . 1 . . . . . . . . 5062 1 116 . 1 1 25 25 ASP C C 13 176.95 0.10 . 1 . . . . . . . . 5062 1 117 . 1 1 25 25 ASP CA C 13 52.84 0.10 . 1 . . . . . . . . 5062 1 118 . 1 1 25 25 ASP N N 15 122.21 0.05 . 1 . . . . . . . . 5062 1 119 . 1 1 26 26 THR H H 1 8.30 0.02 . 1 . . . . . . . . 5062 1 120 . 1 1 26 26 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 121 . 1 1 26 26 THR C C 13 175.91 0.10 . 1 . . . . . . . . 5062 1 122 . 1 1 26 26 THR CA C 13 61.54 0.10 . 1 . . . . . . . . 5062 1 123 . 1 1 26 26 THR N N 15 114.21 0.05 . 1 . . . . . . . . 5062 1 124 . 1 1 27 27 GLY H H 1 8.69 0.02 . 1 . . . . . . . . 5062 1 125 . 1 1 27 27 GLY C C 13 174.88 0.10 . 1 . . . . . . . . 5062 1 126 . 1 1 27 27 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 127 . 1 1 27 27 GLY N N 15 111.89 0.05 . 1 . . . . . . . . 5062 1 128 . 1 1 28 28 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 5062 1 129 . 1 1 28 28 ALA CB C 13 20.04 0.10 . 1 . . . . . . . . 5062 1 130 . 1 1 28 28 ALA C C 13 174.29 0.10 . 1 . . . . . . . . 5062 1 131 . 1 1 28 28 ALA CA C 13 52.37 0.10 . 1 . . . . . . . . 5062 1 132 . 1 1 28 28 ALA N N 15 124.37 0.05 . 1 . . . . . . . . 5062 1 133 . 1 1 29 29 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 5062 1 134 . 1 1 29 29 ASP CB C 13 39.36 0.10 . 1 . . . . . . . . 5062 1 135 . 1 1 29 29 ASP C C 13 176.56 0.10 . 1 . . . . . . . . 5062 1 136 . 1 1 29 29 ASP CA C 13 54.06 0.10 . 1 . . . . . . . . 5062 1 137 . 1 1 29 29 ASP N N 15 119.20 0.05 . 1 . . . . . . . . 5062 1 138 . 1 1 30 30 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 5062 1 139 . 1 1 30 30 ASP CB C 13 39.36 0.10 . 1 . . . . . . . . 5062 1 140 . 1 1 30 30 ASP C C 13 177.02 0.10 . 1 . . . . . . . . 5062 1 141 . 1 1 30 30 ASP CA C 13 54.48 0.10 . 1 . . . . . . . . 5062 1 142 . 1 1 30 30 ASP N N 15 121.54 0.05 . 1 . . . . . . . . 5062 1 143 . 1 1 31 31 THR H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 144 . 1 1 31 31 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 145 . 1 1 31 31 THR C C 13 177.47 0.10 . 1 . . . . . . . . 5062 1 146 . 1 1 31 31 THR CA C 13 62.00 0.10 . 1 . . . . . . . . 5062 1 147 . 1 1 31 31 THR N N 15 114.66 0.05 . 1 . . . . . . . . 5062 1 148 . 1 1 32 32 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5062 1 149 . 1 1 32 32 VAL CB C 13 33.73 0.10 . 1 . . . . . . . . 5062 1 150 . 1 1 32 32 VAL C C 13 175.89 0.10 . 1 . . . . . . . . 5062 1 151 . 1 1 32 32 VAL CA C 13 61.18 0.10 . 1 . . . . . . . . 5062 1 152 . 1 1 32 32 VAL N N 15 122.99 0.05 . 1 . . . . . . . . 5062 1 153 . 1 1 33 33 LEU H H 1 8.42 0.02 . 1 . . . . . . . . 5062 1 154 . 1 1 33 33 LEU CB C 13 43.38 0.10 . 1 . . . . . . . . 5062 1 155 . 1 1 33 33 LEU C C 13 177.18 0.10 . 1 . . . . . . . . 5062 1 156 . 1 1 33 33 LEU CA C 13 55.17 0.10 . 1 . . . . . . . . 5062 1 157 . 1 1 33 33 LEU N N 15 126.49 0.05 . 1 . . . . . . . . 5062 1 158 . 1 1 34 34 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 5062 1 159 . 1 1 34 34 GLU CB C 13 30.36 0.10 . 1 . . . . . . . . 5062 1 160 . 1 1 34 34 GLU C C 13 175.86 0.10 . 1 . . . . . . . . 5062 1 161 . 1 1 34 34 GLU CA C 13 54.70 0.10 . 1 . . . . . . . . 5062 1 162 . 1 1 34 34 GLU N N 15 122.56 0.10 . 1 . . . . . . . . 5062 1 163 . 1 1 35 35 GLU H H 1 8.43 0.03 . 1 . . . . . . . . 5062 1 164 . 1 1 35 35 GLU CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 165 . 1 1 35 35 GLU C C 13 175.83 0.10 . 1 . . . . . . . . 5062 1 166 . 1 1 35 35 GLU CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 167 . 1 1 35 35 GLU N N 15 121.03 0.05 . 1 . . . . . . . . 5062 1 168 . 1 1 36 36 MET H H 1 8.37 0.02 . 1 . . . . . . . . 5062 1 169 . 1 1 36 36 MET CB C 13 34.41 0.10 . 1 . . . . . . . . 5062 1 170 . 1 1 36 36 MET C C 13 176.12 0.10 . 1 . . . . . . . . 5062 1 171 . 1 1 36 36 MET CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 172 . 1 1 36 36 MET N N 15 122.75 0.05 . 1 . . . . . . . . 5062 1 173 . 1 1 37 37 SER H H 1 8.55 0.02 . 1 . . . . . . . . 5062 1 174 . 1 1 37 37 SER CB C 13 65.07 0.10 . 1 . . . . . . . . 5062 1 175 . 1 1 37 37 SER C C 13 174.22 0.10 . 1 . . . . . . . . 5062 1 176 . 1 1 37 37 SER CA C 13 56.93 0.10 . 1 . . . . . . . . 5062 1 177 . 1 1 37 37 SER N N 15 121.82 0.05 . 1 . . . . . . . . 5062 1 178 . 1 1 38 38 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 5062 1 179 . 1 1 38 38 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 180 . 1 1 38 38 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 181 . 1 1 38 38 LEU N N 15 127.21 0.05 . 1 . . . . . . . . 5062 1 182 . 1 1 39 39 PRO CB C 13 32.27 0.10 . 1 . . . . . . . . 5062 1 183 . 1 1 39 39 PRO C C 13 177.92 0.10 . 1 . . . . . . . . 5062 1 184 . 1 1 39 39 PRO CA C 13 63.09 0.10 . 1 . . . . . . . . 5062 1 185 . 1 1 40 40 GLY H H 1 8.59 0.02 . 1 . . . . . . . . 5062 1 186 . 1 1 40 40 GLY C C 13 178.18 0.10 . 1 . . . . . . . . 5062 1 187 . 1 1 40 40 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 188 . 1 1 40 40 GLY N N 15 110.17 0.05 . 1 . . . . . . . . 5062 1 189 . 1 1 41 41 ARG H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 190 . 1 1 41 41 ARG CB C 13 30.88 0.10 . 1 . . . . . . . . 5062 1 191 . 1 1 41 41 ARG C C 13 177.86 0.10 . 1 . . . . . . . . 5062 1 192 . 1 1 41 41 ARG CA C 13 55.94 0.10 . 1 . . . . . . . . 5062 1 193 . 1 1 41 41 ARG N N 15 121.53 0.05 . 1 . . . . . . . . 5062 1 194 . 1 1 42 42 TRP H H 1 8.47 0.02 . 1 . . . . . . . . 5062 1 195 . 1 1 42 42 TRP CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 196 . 1 1 42 42 TRP C C 13 176.17 0.10 . 1 . . . . . . . . 5062 1 197 . 1 1 42 42 TRP CA C 13 57.34 0.10 . 1 . . . . . . . . 5062 1 198 . 1 1 42 42 TRP N N 15 123.24 0.05 . 1 . . . . . . . . 5062 1 199 . 1 1 43 43 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 5062 1 200 . 1 1 43 43 LYS CB C 13 32.63 0.10 . 1 . . . . . . . . 5062 1 201 . 1 1 43 43 LYS CA C 13 53.61 0.10 . 1 . . . . . . . . 5062 1 202 . 1 1 43 43 LYS N N 15 125.48 0.05 . 1 . . . . . . . . 5062 1 203 . 1 1 44 44 PRO CB C 13 30.18 0.10 . 1 . . . . . . . . 5062 1 204 . 1 1 44 44 PRO C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 205 . 1 1 44 44 PRO CA C 13 56.25 0.10 . 1 . . . . . . . . 5062 1 206 . 1 1 45 45 LYS H H 1 8.42 0.02 . 1 . . . . . . . . 5062 1 207 . 1 1 45 45 LYS CB C 13 30.53 0.10 . 1 . . . . . . . . 5062 1 208 . 1 1 45 45 LYS C C 13 176.62 0.10 . 1 . . . . . . . . 5062 1 209 . 1 1 45 45 LYS CA C 13 51.91 0.10 . 1 . . . . . . . . 5062 1 210 . 1 1 45 45 LYS N N 15 125.76 0.05 . 1 . . . . . . . . 5062 1 211 . 1 1 46 46 MET H H 1 8.31 0.02 . 1 . . . . . . . . 5062 1 212 . 1 1 46 46 MET CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 213 . 1 1 46 46 MET C C 13 175.60 0.10 . 1 . . . . . . . . 5062 1 214 . 1 1 46 46 MET CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 215 . 1 1 46 46 MET N N 15 122.10 0.05 . 1 . . . . . . . . 5062 1 216 . 1 1 47 47 ILE H H 1 8.38 0.03 . 1 . . . . . . . . 5062 1 217 . 1 1 47 47 ILE CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 218 . 1 1 47 47 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 219 . 1 1 47 47 ILE CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 220 . 1 1 47 47 ILE N N 15 123.28 0.10 . 1 . . . . . . . . 5062 1 221 . 1 1 48 48 GLY H H 1 8.67 0.10 . 1 . . . . . . . . 5062 1 222 . 1 1 48 48 GLY C C 13 174.94 0.10 . 1 . . . . . . . . 5062 1 223 . 1 1 48 48 GLY CA C 13 44.92 0.10 . 1 . . . . . . . . 5062 1 224 . 1 1 48 48 GLY N N 15 114.03 0.05 . 1 . . . . . . . . 5062 1 225 . 1 1 49 49 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 5062 1 226 . 1 1 49 49 GLY C C 13 174.75 0.10 . 1 . . . . . . . . 5062 1 227 . 1 1 49 49 GLY CA C 13 44.92 0.10 . 1 . . . . . . . . 5062 1 228 . 1 1 49 49 GLY N N 15 109.80 0.05 . 1 . . . . . . . . 5062 1 229 . 1 1 50 50 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 5062 1 230 . 1 1 50 50 ILE CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 231 . 1 1 50 50 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 232 . 1 1 50 50 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 233 . 1 1 50 50 ILE N N 15 120.51 0.05 . 1 . . . . . . . . 5062 1 234 . 1 1 51 51 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 5062 1 235 . 1 1 51 51 GLY C C 13 174.94 0.10 . 1 . . . . . . . . 5062 1 236 . 1 1 51 51 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 237 . 1 1 51 51 GLY N N 15 113.40 0.05 . 1 . . . . . . . . 5062 1 238 . 1 1 52 52 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 5062 1 239 . 1 1 52 52 GLY C C 13 178.18 0.10 . 1 . . . . . . . . 5062 1 240 . 1 1 52 52 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 241 . 1 1 52 52 GLY N N 15 109.76 0.05 . 1 . . . . . . . . 5062 1 242 . 1 1 53 53 PHE H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 243 . 1 1 53 53 PHE CB C 13 39.96 0.10 . 1 . . . . . . . . 5062 1 244 . 1 1 53 53 PHE C C 13 176.17 0.10 . 1 . . . . . . . . 5062 1 245 . 1 1 53 53 PHE CA C 13 55.95 0.10 . 1 . . . . . . . . 5062 1 246 . 1 1 53 53 PHE N N 15 121.30 0.05 . 1 . . . . . . . . 5062 1 247 . 1 1 54 54 ILE H H 1 8.28 0.02 . 1 . . . . . . . . 5062 1 248 . 1 1 54 54 ILE CB C 13 37.62 0.10 . 1 . . . . . . . . 5062 1 249 . 1 1 54 54 ILE C C 13 174.62 0.10 . 1 . . . . . . . . 5062 1 250 . 1 1 54 54 ILE CA C 13 60.61 0.10 . 1 . . . . . . . . 5062 1 251 . 1 1 54 54 ILE N N 15 123.52 0.05 . 1 . . . . . . . . 5062 1 252 . 1 1 55 55 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 5062 1 253 . 1 1 55 55 LYS CB C 13 34.41 0.10 . 1 . . . . . . . . 5062 1 254 . 1 1 55 55 LYS C C 13 175.40 0.10 . 1 . . . . . . . . 5062 1 255 . 1 1 55 55 LYS CA C 13 54.70 0.10 . 1 . . . . . . . . 5062 1 256 . 1 1 55 55 LYS N N 15 126.97 0.05 . 1 . . . . . . . . 5062 1 257 . 1 1 56 56 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5062 1 258 . 1 1 56 56 VAL CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 259 . 1 1 56 56 VAL C C 13 176.50 0.10 . 1 . . . . . . . . 5062 1 260 . 1 1 56 56 VAL CA C 13 60.92 0.10 . 1 . . . . . . . . 5062 1 261 . 1 1 56 56 VAL N N 15 122.76 0.05 . 1 . . . . . . . . 5062 1 262 . 1 1 57 57 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 5062 1 263 . 1 1 57 57 ARG CB C 13 30.88 0.10 . 1 . . . . . . . . 5062 1 264 . 1 1 57 57 ARG C C 13 176.62 0.10 . 1 . . . . . . . . 5062 1 265 . 1 1 57 57 ARG CA C 13 56.10 0.10 . 1 . . . . . . . . 5062 1 266 . 1 1 57 57 ARG N N 15 125.51 0.05 . 1 . . . . . . . . 5062 1 267 . 1 1 58 58 GLN H H 1 8.54 0.03 . 1 . . . . . . . . 5062 1 268 . 1 1 58 58 GLN CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 269 . 1 1 58 58 GLN C C 13 176.24 0.10 . 1 . . . . . . . . 5062 1 270 . 1 1 58 58 GLN CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 271 . 1 1 58 58 GLN N N 15 122.58 0.10 . 1 . . . . . . . . 5062 1 272 . 1 1 59 59 TYR H H 1 8.38 0.03 . 1 . . . . . . . . 5062 1 273 . 1 1 59 59 TYR CB C 13 37.18 0.10 . 1 . . . . . . . . 5062 1 274 . 1 1 59 59 TYR C C 13 177.11 0.10 . 1 . . . . . . . . 5062 1 275 . 1 1 59 59 TYR CA C 13 57.50 0.10 . 1 . . . . . . . . 5062 1 276 . 1 1 59 59 TYR N N 15 121.56 0.05 . 1 . . . . . . . . 5062 1 277 . 1 1 60 60 ASP H H 1 8.39 0.02 . 1 . . . . . . . . 5062 1 278 . 1 1 60 60 ASP CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 279 . 1 1 60 60 ASP C C 13 176.17 0.10 . 1 . . . . . . . . 5062 1 280 . 1 1 60 60 ASP CA C 13 54.23 0.10 . 1 . . . . . . . . 5062 1 281 . 1 1 60 60 ASP N N 15 122.49 0.05 . 1 . . . . . . . . 5062 1 282 . 1 1 61 61 GLN H H 1 8.59 0.02 . 1 . . . . . . . . 5062 1 283 . 1 1 61 61 GLN CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 284 . 1 1 61 61 GLN C C 13 177.62 0.10 . 1 . . . . . . . . 5062 1 285 . 1 1 61 61 GLN CA C 13 58.43 0.10 . 1 . . . . . . . . 5062 1 286 . 1 1 61 61 GLN N N 15 123.08 0.05 . 1 . . . . . . . . 5062 1 287 . 1 1 62 62 ILE H H 1 8.57 0.02 . 1 . . . . . . . . 5062 1 288 . 1 1 62 62 ILE CB C 13 39.83 0.10 . 1 . . . . . . . . 5062 1 289 . 1 1 62 62 ILE C C 13 177.53 0.10 . 1 . . . . . . . . 5062 1 290 . 1 1 62 62 ILE CA C 13 60.10 0.10 . 1 . . . . . . . . 5062 1 291 . 1 1 62 62 ILE N N 15 125.63 0.05 . 1 . . . . . . . . 5062 1 292 . 1 1 63 63 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5062 1 293 . 1 1 63 63 LEU CB C 13 42.98 0.10 . 1 . . . . . . . . 5062 1 294 . 1 1 63 63 LEU C C 13 176.69 0.10 . 1 . . . . . . . . 5062 1 295 . 1 1 63 63 LEU CA C 13 56.85 0.10 . 1 . . . . . . . . 5062 1 296 . 1 1 63 63 LEU N N 15 121.47 0.05 . 1 . . . . . . . . 5062 1 297 . 1 1 64 64 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 5062 1 298 . 1 1 64 64 ILE CB C 13 38.56 0.10 . 1 . . . . . . . . 5062 1 299 . 1 1 64 64 ILE C C 13 174.43 0.10 . 1 . . . . . . . . 5062 1 300 . 1 1 64 64 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 301 . 1 1 64 64 ILE N N 15 117.85 0.05 . 1 . . . . . . . . 5062 1 302 . 1 1 65 65 GLU H H 1 8.32 0.02 . 1 . . . . . . . . 5062 1 303 . 1 1 65 65 GLU CB C 13 29.92 0.10 . 1 . . . . . . . . 5062 1 304 . 1 1 65 65 GLU C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 305 . 1 1 65 65 GLU CA C 13 57.38 0.10 . 1 . . . . . . . . 5062 1 306 . 1 1 65 65 GLU N N 15 124.22 0.05 . 1 . . . . . . . . 5062 1 307 . 1 1 66 66 ILE H H 1 8.44 0.02 . 1 . . . . . . . . 5062 1 308 . 1 1 66 66 ILE CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 309 . 1 1 66 66 ILE C C 13 176.89 0.10 . 1 . . . . . . . . 5062 1 310 . 1 1 66 66 ILE CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 311 . 1 1 66 66 ILE N N 15 125.90 0.05 . 1 . . . . . . . . 5062 1 312 . 1 1 67 67 CYS H H 1 8.39 0.02 . 1 . . . . . . . . 5062 1 313 . 1 1 67 67 CYS CB C 13 30.18 0.10 . 1 . . . . . . . . 5062 1 314 . 1 1 67 67 CYS C C 13 176.37 0.10 . 1 . . . . . . . . 5062 1 315 . 1 1 67 67 CYS CA C 13 59.91 0.10 . 1 . . . . . . . . 5062 1 316 . 1 1 67 67 CYS N N 15 123.76 0.05 . 1 . . . . . . . . 5062 1 317 . 1 1 68 68 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 5062 1 318 . 1 1 68 68 ALA CB C 13 18.64 0.10 . 1 . . . . . . . . 5062 1 319 . 1 1 68 68 ALA C C 13 176.69 0.10 . 1 . . . . . . . . 5062 1 320 . 1 1 68 68 ALA CA C 13 55.32 0.10 . 1 . . . . . . . . 5062 1 321 . 1 1 68 68 ALA N N 15 122.45 0.05 . 1 . . . . . . . . 5062 1 322 . 1 1 69 69 HIS H H 1 8.51 0.02 . 1 . . . . . . . . 5062 1 323 . 1 1 69 69 HIS CB C 13 32.97 0.10 . 1 . . . . . . . . 5062 1 324 . 1 1 69 69 HIS C C 13 177.86 0.10 . 1 . . . . . . . . 5062 1 325 . 1 1 69 69 HIS CA C 13 54.70 0.10 . 1 . . . . . . . . 5062 1 326 . 1 1 69 69 HIS N N 15 125.72 0.05 . 1 . . . . . . . . 5062 1 327 . 1 1 70 70 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5062 1 328 . 1 1 70 70 LYS CB C 13 33.33 0.10 . 1 . . . . . . . . 5062 1 329 . 1 1 70 70 LYS C C 13 176.76 0.10 . 1 . . . . . . . . 5062 1 330 . 1 1 70 70 LYS CA C 13 56.05 0.10 . 1 . . . . . . . . 5062 1 331 . 1 1 70 70 LYS N N 15 123.35 0.05 . 1 . . . . . . . . 5062 1 332 . 1 1 71 71 ALA H H 1 8.61 0.02 . 1 . . . . . . . . 5062 1 333 . 1 1 71 71 ALA CB C 13 19.34 0.10 . 1 . . . . . . . . 5062 1 334 . 1 1 71 71 ALA C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 335 . 1 1 71 71 ALA CA C 13 52.06 0.10 . 1 . . . . . . . . 5062 1 336 . 1 1 71 71 ALA N N 15 126.94 0.05 . 1 . . . . . . . . 5062 1 337 . 1 1 72 72 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 5062 1 338 . 1 1 72 72 ILE CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 339 . 1 1 72 72 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 340 . 1 1 72 72 ILE CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 341 . 1 1 72 72 ILE N N 15 121.16 0.05 . 1 . . . . . . . . 5062 1 342 . 1 1 73 73 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 5062 1 343 . 1 1 73 73 GLY C C 13 174.62 0.10 . 1 . . . . . . . . 5062 1 344 . 1 1 73 73 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 345 . 1 1 73 73 GLY N N 15 113.66 0.05 . 1 . . . . . . . . 5062 1 346 . 1 1 74 74 THR H H 1 8.22 0.02 . 1 . . . . . . . . 5062 1 347 . 1 1 74 74 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 348 . 1 1 74 74 THR C C 13 175.07 0.10 . 1 . . . . . . . . 5062 1 349 . 1 1 74 74 THR CA C 13 60.86 0.10 . 1 . . . . . . . . 5062 1 350 . 1 1 74 74 THR N N 15 115.02 0.05 . 1 . . . . . . . . 5062 1 351 . 1 1 75 75 VAL H H 1 8.35 0.02 . 1 . . . . . . . . 5062 1 352 . 1 1 75 75 VAL CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 353 . 1 1 75 75 VAL C C 13 176.37 0.10 . 1 . . . . . . . . 5062 1 354 . 1 1 75 75 VAL CA C 13 62.00 0.10 . 1 . . . . . . . . 5062 1 355 . 1 1 75 75 VAL N N 15 122.39 0.05 . 1 . . . . . . . . 5062 1 356 . 1 1 76 76 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5062 1 357 . 1 1 76 76 LEU CB C 13 42.16 0.10 . 1 . . . . . . . . 5062 1 358 . 1 1 76 76 LEU C C 13 177.53 0.10 . 1 . . . . . . . . 5062 1 359 . 1 1 76 76 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 360 . 1 1 76 76 LEU N N 15 127.27 0.05 . 1 . . . . . . . . 5062 1 361 . 1 1 77 77 VAL H H 1 8.23 0.02 . 1 . . . . . . . . 5062 1 362 . 1 1 77 77 VAL CB C 13 32.62 0.10 . 1 . . . . . . . . 5062 1 363 . 1 1 77 77 VAL C C 13 175.76 0.10 . 1 . . . . . . . . 5062 1 364 . 1 1 77 77 VAL CA C 13 61.84 0.10 . 1 . . . . . . . . 5062 1 365 . 1 1 77 77 VAL N N 15 121.51 0.05 . 1 . . . . . . . . 5062 1 366 . 1 1 78 78 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 5062 1 367 . 1 1 78 78 GLY CA C 13 44.45 0.10 . 1 . . . . . . . . 5062 1 368 . 1 1 78 78 GLY N N 15 113.35 0.05 . 1 . . . . . . . . 5062 1 369 . 1 1 79 79 PRO CB C 13 43.11 0.10 . 1 . . . . . . . . 5062 1 370 . 1 1 79 79 PRO C C 13 175.18 0.10 . 1 . . . . . . . . 5062 1 371 . 1 1 79 79 PRO CA C 13 60.91 0.10 . 1 . . . . . . . . 5062 1 372 . 1 1 80 80 THR H H 1 8.19 0.02 . 1 . . . . . . . . 5062 1 373 . 1 1 80 80 THR CA C 13 56.72 0.10 . 1 . . . . . . . . 5062 1 374 . 1 1 80 80 THR N N 15 132.55 0.05 . 1 . . . . . . . . 5062 1 375 . 1 1 81 81 PRO CB C 13 29.82 0.10 . 1 . . . . . . . . 5062 1 376 . 1 1 81 81 PRO C C 13 176.86 0.10 . 1 . . . . . . . . 5062 1 377 . 1 1 81 81 PRO CA C 13 55.33 0.10 . 1 . . . . . . . . 5062 1 378 . 1 1 82 82 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 5062 1 379 . 1 1 82 82 VAL CB C 13 33.58 0.10 . 1 . . . . . . . . 5062 1 380 . 1 1 82 82 VAL C C 13 176.18 0.10 . 1 . . . . . . . . 5062 1 381 . 1 1 82 82 VAL CA C 13 61.25 0.10 . 1 . . . . . . . . 5062 1 382 . 1 1 82 82 VAL N N 15 123.37 0.05 . 1 . . . . . . . . 5062 1 383 . 1 1 83 83 ASN H H 1 8.60 0.03 . 1 . . . . . . . . 5062 1 384 . 1 1 83 83 ASN CB C 13 39.82 0.10 . 1 . . . . . . . . 5062 1 385 . 1 1 83 83 ASN C C 13 175.11 0.10 . 1 . . . . . . . . 5062 1 386 . 1 1 83 83 ASN CA C 13 50.94 0.10 . 1 . . . . . . . . 5062 1 387 . 1 1 83 83 ASN N N 15 122.45 0.10 . 1 . . . . . . . . 5062 1 388 . 1 1 84 84 ILE H H 1 8.59 0.10 . 1 . . . . . . . . 5062 1 389 . 1 1 84 84 ILE CB C 13 39.70 0.10 . 1 . . . . . . . . 5062 1 390 . 1 1 84 84 ILE C C 13 176.26 0.10 . 1 . . . . . . . . 5062 1 391 . 1 1 84 84 ILE CA C 13 59.79 0.10 . 1 . . . . . . . . 5062 1 392 . 1 1 84 84 ILE N N 15 123.54 0.05 . 1 . . . . . . . . 5062 1 393 . 1 1 85 85 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 5062 1 394 . 1 1 85 85 ILE CB C 13 38.21 0.10 . 1 . . . . . . . . 5062 1 395 . 1 1 85 85 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 396 . 1 1 85 85 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 397 . 1 1 85 85 ILE N N 15 121.36 0.05 . 1 . . . . . . . . 5062 1 398 . 1 1 86 86 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5062 1 399 . 1 1 86 86 GLY C C 13 176.24 0.10 . 1 . . . . . . . . 5062 1 400 . 1 1 86 86 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 401 . 1 1 86 86 GLY N N 15 113.80 0.05 . 1 . . . . . . . . 5062 1 402 . 1 1 87 87 ARG H H 1 8.40 0.02 . 1 . . . . . . . . 5062 1 403 . 1 1 87 87 ARG CB C 13 30.53 0.10 . 1 . . . . . . . . 5062 1 404 . 1 1 87 87 ARG C C 13 176.76 0.10 . 1 . . . . . . . . 5062 1 405 . 1 1 87 87 ARG CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 406 . 1 1 87 87 ARG N N 15 121.49 0.05 . 1 . . . . . . . . 5062 1 407 . 1 1 88 88 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5062 1 408 . 1 1 88 88 ASN CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 409 . 1 1 88 88 ASN C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 410 . 1 1 88 88 ASN CA C 13 55.07 0.10 . 1 . . . . . . . . 5062 1 411 . 1 1 88 88 ASN N N 15 122.54 0.10 . 1 . . . . . . . . 5062 1 412 . 1 1 89 89 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 5062 1 413 . 1 1 89 89 LEU CB C 13 41.71 0.10 . 1 . . . . . . . . 5062 1 414 . 1 1 89 89 LEU C C 13 175.53 0.10 . 1 . . . . . . . . 5062 1 415 . 1 1 89 89 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 416 . 1 1 89 89 LEU N N 15 125.76 0.05 . 1 . . . . . . . . 5062 1 417 . 1 1 90 90 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5062 1 418 . 1 1 90 90 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 419 . 1 1 90 90 LEU C C 13 178.18 0.10 . 1 . . . . . . . . 5062 1 420 . 1 1 90 90 LEU CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 421 . 1 1 90 90 LEU N N 15 123.06 0.05 . 1 . . . . . . . . 5062 1 422 . 1 1 91 91 THR H H 1 8.18 0.02 . 1 . . . . . . . . 5062 1 423 . 1 1 91 91 THR CB C 13 69.67 0.10 . 1 . . . . . . . . 5062 1 424 . 1 1 91 91 THR C C 13 177.86 0.10 . 1 . . . . . . . . 5062 1 425 . 1 1 91 91 THR CA C 13 61.54 0.10 . 1 . . . . . . . . 5062 1 426 . 1 1 91 91 THR N N 15 114.80 0.05 . 1 . . . . . . . . 5062 1 427 . 1 1 92 92 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 5062 1 428 . 1 1 92 92 GLN CB C 13 28.92 0.10 . 1 . . . . . . . . 5062 1 429 . 1 1 92 92 GLN C C 13 176.56 0.10 . 1 . . . . . . . . 5062 1 430 . 1 1 92 92 GLN CA C 13 57.27 0.10 . 1 . . . . . . . . 5062 1 431 . 1 1 92 92 GLN N N 15 122.08 0.05 . 1 . . . . . . . . 5062 1 432 . 1 1 93 93 ILE H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 433 . 1 1 93 93 ILE CB C 13 38.56 0.10 . 1 . . . . . . . . 5062 1 434 . 1 1 93 93 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 435 . 1 1 93 93 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 436 . 1 1 93 93 ILE N N 15 125.18 0.05 . 1 . . . . . . . . 5062 1 437 . 1 1 94 94 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5062 1 438 . 1 1 94 94 GLY C C 13 174.56 0.10 . 1 . . . . . . . . 5062 1 439 . 1 1 94 94 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 440 . 1 1 94 94 GLY N N 15 113.56 0.05 . 1 . . . . . . . . 5062 1 441 . 1 1 95 95 MET H H 1 8.38 0.10 . 1 . . . . . . . . 5062 1 442 . 1 1 95 95 MET CB C 13 33.33 0.10 . 1 . . . . . . . . 5062 1 443 . 1 1 95 95 MET C C 13 176.95 0.10 . 1 . . . . . . . . 5062 1 444 . 1 1 95 95 MET CA C 13 55.48 0.10 . 1 . . . . . . . . 5062 1 445 . 1 1 95 95 MET N N 15 121.01 0.05 . 1 . . . . . . . . 5062 1 446 . 1 1 96 96 THR H H 1 8.38 0.02 . 1 . . . . . . . . 5062 1 447 . 1 1 96 96 THR CB C 13 69.67 0.10 . 1 . . . . . . . . 5062 1 448 . 1 1 96 96 THR C C 13 175.01 0.10 . 1 . . . . . . . . 5062 1 449 . 1 1 96 96 THR CA C 13 61.38 0.10 . 1 . . . . . . . . 5062 1 450 . 1 1 96 96 THR N N 15 116.24 0.05 . 1 . . . . . . . . 5062 1 451 . 1 1 97 97 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 5062 1 452 . 1 1 97 97 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 453 . 1 1 97 97 LEU C C 13 177.14 0.10 . 1 . . . . . . . . 5062 1 454 . 1 1 97 97 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 455 . 1 1 97 97 LEU N N 15 125.04 0.05 . 1 . . . . . . . . 5062 1 456 . 1 1 98 98 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 5062 1 457 . 1 1 98 98 ASN CB C 13 39.27 0.10 . 1 . . . . . . . . 5062 1 458 . 1 1 98 98 ASN C C 13 176.24 0.10 . 1 . . . . . . . . 5062 1 459 . 1 1 98 98 ASN CA C 13 52.68 0.10 . 1 . . . . . . . . 5062 1 460 . 1 1 98 98 ASN N N 15 120.18 0.05 . 1 . . . . . . . . 5062 1 461 . 1 1 99 99 PHE H H 1 8.41 0.02 . 1 . . . . . . . . 5062 1 462 . 1 1 99 99 PHE CB C 13 39.27 0.10 . 1 . . . . . . . . 5062 1 463 . 1 1 99 99 PHE C C 13 176.62 0.10 . 1 . . . . . . . . 5062 1 464 . 1 1 99 99 PHE CA C 13 57.65 0.10 . 1 . . . . . . . . 5062 1 465 . 1 1 99 99 PHE N N 15 122.08 0.05 . 1 . . . . . . . . 5062 1 466 . 1 1 100 100 GLY H H 1 8.64 0.02 . 1 . . . . . . . . 5062 1 467 . 1 1 100 100 GLY C C 13 175.14 0.10 . 1 . . . . . . . . 5062 1 468 . 1 1 100 100 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 469 . 1 1 100 100 GLY N N 15 111.31 0.05 . 1 . . . . . . . . 5062 1 470 . 1 1 101 101 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 5062 1 471 . 1 1 101 101 GLY C C 13 174.81 0.10 . 1 . . . . . . . . 5062 1 472 . 1 1 101 101 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 473 . 1 1 101 101 GLY N N 15 109.85 0.05 . 1 . . . . . . . . 5062 1 474 . 1 1 102 102 SER H H 1 8.49 0.02 . 1 . . . . . . . . 5062 1 475 . 1 1 102 102 SER CB C 13 63.38 0.10 . 1 . . . . . . . . 5062 1 476 . 1 1 102 102 SER C C 13 175.20 0.10 . 1 . . . . . . . . 5062 1 477 . 1 1 102 102 SER CA C 13 57.96 0.10 . 1 . . . . . . . . 5062 1 478 . 1 1 102 102 SER N N 15 116.80 0.05 . 1 . . . . . . . . 5062 1 479 . 1 1 103 103 SER H H 1 8.59 0.02 . 1 . . . . . . . . 5062 1 480 . 1 1 103 103 SER CB C 13 63.73 0.10 . 1 . . . . . . . . 5062 1 481 . 1 1 103 103 SER C C 13 175.14 0.10 . 1 . . . . . . . . 5062 1 482 . 1 1 103 103 SER CA C 13 58.12 0.10 . 1 . . . . . . . . 5062 1 483 . 1 1 103 103 SER N N 15 118.48 0.05 . 1 . . . . . . . . 5062 1 484 . 1 1 104 104 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 5062 1 485 . 1 1 104 104 GLY CA C 13 44.60 0.10 . 1 . . . . . . . . 5062 1 486 . 1 1 104 104 GLY N N 15 111.26 0.05 . 1 . . . . . . . . 5062 1 487 . 1 1 105 105 PRO CB C 13 39.83 0.10 . 1 . . . . . . . . 5062 1 488 . 1 1 105 105 PRO C C 13 176.69 0.10 . 1 . . . . . . . . 5062 1 489 . 1 1 105 105 PRO CA C 13 56.91 0.10 . 1 . . . . . . . . 5062 1 490 . 1 1 106 106 GLN H H 1 8.57 0.03 . 1 . . . . . . . . 5062 1 491 . 1 1 106 106 GLN CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 492 . 1 1 106 106 GLN C C 13 175.40 0.10 . 1 . . . . . . . . 5062 1 493 . 1 1 106 106 GLN CA C 13 53.43 0.10 . 1 . . . . . . . . 5062 1 494 . 1 1 106 106 GLN N N 15 123.54 0.05 . 1 . . . . . . . . 5062 1 495 . 1 1 107 107 VAL H H 1 8.57 0.02 . 1 . . . . . . . . 5062 1 496 . 1 1 107 107 VAL CB C 13 34.41 0.10 . 1 . . . . . . . . 5062 1 497 . 1 1 107 107 VAL C C 13 176.23 0.10 . 1 . . . . . . . . 5062 1 498 . 1 1 107 107 VAL CA C 13 60.94 0.10 . 1 . . . . . . . . 5062 1 499 . 1 1 107 107 VAL N N 15 120.36 0.05 . 1 . . . . . . . . 5062 1 500 . 1 1 108 108 THR H H 1 8.39 0.02 . 1 . . . . . . . . 5062 1 501 . 1 1 108 108 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 502 . 1 1 108 108 THR C C 13 177.02 0.10 . 1 . . . . . . . . 5062 1 503 . 1 1 108 108 THR CA C 13 61.38 0.10 . 1 . . . . . . . . 5062 1 504 . 1 1 108 108 THR N N 15 119.16 0.05 . 1 . . . . . . . . 5062 1 505 . 1 1 109 109 LEU H H 1 8.61 0.02 . 1 . . . . . . . . 5062 1 506 . 1 1 109 109 LEU CB C 13 43.63 0.10 . 1 . . . . . . . . 5062 1 507 . 1 1 109 109 LEU C C 13 175.34 0.10 . 1 . . . . . . . . 5062 1 508 . 1 1 109 109 LEU CA C 13 52.84 0.10 . 1 . . . . . . . . 5062 1 509 . 1 1 109 109 LEU N N 15 122.41 0.05 . 1 . . . . . . . . 5062 1 510 . 1 1 110 110 TRP H H 1 8.45 0.02 . 1 . . . . . . . . 5062 1 511 . 1 1 110 110 TRP CB C 13 31.92 0.10 . 1 . . . . . . . . 5062 1 512 . 1 1 110 110 TRP C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 513 . 1 1 110 110 TRP CA C 13 57.65 0.10 . 1 . . . . . . . . 5062 1 514 . 1 1 110 110 TRP N N 15 121.84 0.05 . 1 . . . . . . . . 5062 1 515 . 1 1 111 111 GLN H H 1 8.53 0.02 . 1 . . . . . . . . 5062 1 516 . 1 1 111 111 GLN CB C 13 31.27 0.10 . 1 . . . . . . . . 5062 1 517 . 1 1 111 111 GLN C C 13 176.37 0.10 . 1 . . . . . . . . 5062 1 518 . 1 1 111 111 GLN CA C 13 52.68 0.10 . 1 . . . . . . . . 5062 1 519 . 1 1 111 111 GLN N N 15 120.64 0.05 . 1 . . . . . . . . 5062 1 520 . 1 1 112 112 ARG H H 1 7.98 0.02 . 1 . . . . . . . . 5062 1 521 . 1 1 112 112 ARG CB C 13 31.27 0.10 . 1 . . . . . . . . 5062 1 522 . 1 1 112 112 ARG CA C 13 59.21 0.10 . 1 . . . . . . . . 5062 1 523 . 1 1 112 112 ARG N N 15 126.14 0.05 . 1 . . . . . . . . 5062 1 524 . 1 1 113 113 PRO CB C 13 32.28 0.10 . 1 . . . . . . . . 5062 1 525 . 1 1 113 113 PRO C C 13 177.60 0.10 . 1 . . . . . . . . 5062 1 526 . 1 1 113 113 PRO CA C 13 62.93 0.10 . 1 . . . . . . . . 5062 1 527 . 1 1 114 114 LEU H H 1 8.75 0.02 . 1 . . . . . . . . 5062 1 528 . 1 1 114 114 LEU CB C 13 43.48 0.10 . 1 . . . . . . . . 5062 1 529 . 1 1 114 114 LEU C C 13 177.40 0.10 . 1 . . . . . . . . 5062 1 530 . 1 1 114 114 LEU CA C 13 55.95 0.10 . 1 . . . . . . . . 5062 1 531 . 1 1 114 114 LEU N N 15 122.83 0.05 . 1 . . . . . . . . 5062 1 532 . 1 1 115 115 VAL H H 1 8.22 0.02 . 1 . . . . . . . . 5062 1 533 . 1 1 115 115 VAL CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 534 . 1 1 115 115 VAL C C 13 176.63 0.10 . 1 . . . . . . . . 5062 1 535 . 1 1 115 115 VAL CA C 13 61.85 0.10 . 1 . . . . . . . . 5062 1 536 . 1 1 115 115 VAL N N 15 122.22 0.05 . 1 . . . . . . . . 5062 1 537 . 1 1 116 116 THR H H 1 8.36 0.02 . 1 . . . . . . . . 5062 1 538 . 1 1 116 116 THR CB C 13 69.67 0.10 . 1 . . . . . . . . 5062 1 539 . 1 1 116 116 THR C C 13 174.88 0.10 . 1 . . . . . . . . 5062 1 540 . 1 1 116 116 THR CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 541 . 1 1 116 116 THR N N 15 118.76 0.05 . 1 . . . . . . . . 5062 1 542 . 1 1 117 117 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 5062 1 543 . 1 1 117 117 ILE CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 544 . 1 1 117 117 ILE C C 13 176.36 0.10 . 1 . . . . . . . . 5062 1 545 . 1 1 117 117 ILE CA C 13 60.76 0.10 . 1 . . . . . . . . 5062 1 546 . 1 1 117 117 ILE N N 15 124.63 0.05 . 1 . . . . . . . . 5062 1 547 . 1 1 118 118 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 5062 1 548 . 1 1 118 118 LYS CB C 13 33.33 0.10 . 1 . . . . . . . . 5062 1 549 . 1 1 118 118 LYS C C 13 175.79 0.10 . 1 . . . . . . . . 5062 1 550 . 1 1 118 118 LYS CA C 13 55.95 0.10 . 1 . . . . . . . . 5062 1 551 . 1 1 118 118 LYS N N 15 126.72 0.05 . 1 . . . . . . . . 5062 1 552 . 1 1 119 119 ILE H H 1 8.45 0.02 . 1 . . . . . . . . 5062 1 553 . 1 1 119 119 ILE CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 554 . 1 1 119 119 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 555 . 1 1 119 119 ILE CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 556 . 1 1 119 119 ILE N N 15 124.11 0.05 . 1 . . . . . . . . 5062 1 557 . 1 1 120 120 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 5062 1 558 . 1 1 120 120 GLY C C 13 175.07 0.10 . 1 . . . . . . . . 5062 1 559 . 1 1 120 120 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 560 . 1 1 120 120 GLY N N 15 114.21 0.05 . 1 . . . . . . . . 5062 1 561 . 1 1 121 121 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 5062 1 562 . 1 1 121 121 GLY C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 563 . 1 1 121 121 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 564 . 1 1 121 121 GLY N N 15 109.95 0.05 . 1 . . . . . . . . 5062 1 565 . 1 1 122 122 GLN H H 1 8.56 0.02 . 1 . . . . . . . . 5062 1 566 . 1 1 122 122 GLN CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 567 . 1 1 122 122 GLN C C 13 176.63 0.10 . 1 . . . . . . . . 5062 1 568 . 1 1 122 122 GLN CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 569 . 1 1 122 122 GLN N N 15 120.97 0.05 . 1 . . . . . . . . 5062 1 570 . 1 1 123 123 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 5062 1 571 . 1 1 123 123 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 572 . 1 1 123 123 LEU C C 13 175.14 0.10 . 1 . . . . . . . . 5062 1 573 . 1 1 123 123 LEU CA C 13 55.01 0.10 . 1 . . . . . . . . 5062 1 574 . 1 1 123 123 LEU N N 15 124.37 0.05 . 1 . . . . . . . . 5062 1 575 . 1 1 124 124 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 5062 1 576 . 1 1 124 124 LYS CB C 13 33.33 0.10 . 1 . . . . . . . . 5062 1 577 . 1 1 124 124 LYS C C 13 176.39 0.10 . 1 . . . . . . . . 5062 1 578 . 1 1 124 124 LYS CA C 13 56.05 0.10 . 1 . . . . . . . . 5062 1 579 . 1 1 124 124 LYS N N 15 123.41 0.05 . 1 . . . . . . . . 5062 1 580 . 1 1 125 125 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 5062 1 581 . 1 1 125 125 GLU CB C 13 30.53 0.10 . 1 . . . . . . . . 5062 1 582 . 1 1 125 125 GLU C C 13 175.01 0.10 . 1 . . . . . . . . 5062 1 583 . 1 1 125 125 GLU CA C 13 55.25 0.10 . 1 . . . . . . . . 5062 1 584 . 1 1 125 125 GLU N N 15 122.84 0.05 . 1 . . . . . . . . 5062 1 585 . 1 1 126 126 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 5062 1 586 . 1 1 126 126 ALA CB C 13 19.69 0.10 . 1 . . . . . . . . 5062 1 587 . 1 1 126 126 ALA C C 13 176.53 0.10 . 1 . . . . . . . . 5062 1 588 . 1 1 126 126 ALA CA C 13 52.06 0.10 . 1 . . . . . . . . 5062 1 589 . 1 1 126 126 ALA N N 15 125.33 0.05 . 1 . . . . . . . . 5062 1 590 . 1 1 127 127 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 5062 1 591 . 1 1 127 127 LEU CB C 13 43.33 0.10 . 1 . . . . . . . . 5062 1 592 . 1 1 127 127 LEU C C 13 176.50 0.10 . 1 . . . . . . . . 5062 1 593 . 1 1 127 127 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 594 . 1 1 127 127 LEU N N 15 122.60 0.05 . 1 . . . . . . . . 5062 1 595 . 1 1 128 128 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 5062 1 596 . 1 1 128 128 LEU CB C 13 42.53 0.10 . 1 . . . . . . . . 5062 1 597 . 1 1 128 128 LEU C C 13 177.60 0.10 . 1 . . . . . . . . 5062 1 598 . 1 1 128 128 LEU CA C 13 57.07 0.10 . 1 . . . . . . . . 5062 1 599 . 1 1 128 128 LEU N N 15 123.30 0.05 . 1 . . . . . . . . 5062 1 600 . 1 1 129 129 ASP H H 1 8.58 0.02 . 1 . . . . . . . . 5062 1 601 . 1 1 129 129 ASP CB C 13 40.02 0.10 . 1 . . . . . . . . 5062 1 602 . 1 1 129 129 ASP C C 13 176.95 0.10 . 1 . . . . . . . . 5062 1 603 . 1 1 129 129 ASP CA C 13 52.84 0.10 . 1 . . . . . . . . 5062 1 604 . 1 1 129 129 ASP N N 15 122.21 0.05 . 1 . . . . . . . . 5062 1 605 . 1 1 130 130 THR H H 1 8.30 0.02 . 1 . . . . . . . . 5062 1 606 . 1 1 130 130 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 607 . 1 1 130 130 THR C C 13 175.91 0.10 . 1 . . . . . . . . 5062 1 608 . 1 1 130 130 THR CA C 13 61.54 0.10 . 1 . . . . . . . . 5062 1 609 . 1 1 130 130 THR N N 15 114.21 0.05 . 1 . . . . . . . . 5062 1 610 . 1 1 131 131 GLY H H 1 8.69 0.02 . 1 . . . . . . . . 5062 1 611 . 1 1 131 131 GLY C C 13 174.88 0.10 . 1 . . . . . . . . 5062 1 612 . 1 1 131 131 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 613 . 1 1 131 131 GLY N N 15 111.89 0.05 . 1 . . . . . . . . 5062 1 614 . 1 1 132 132 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 5062 1 615 . 1 1 132 132 ALA CB C 13 20.04 0.10 . 1 . . . . . . . . 5062 1 616 . 1 1 132 132 ALA C C 13 174.29 0.10 . 1 . . . . . . . . 5062 1 617 . 1 1 132 132 ALA CA C 13 52.37 0.10 . 1 . . . . . . . . 5062 1 618 . 1 1 132 132 ALA N N 15 124.37 0.05 . 1 . . . . . . . . 5062 1 619 . 1 1 133 133 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 5062 1 620 . 1 1 133 133 ASP CB C 13 39.36 0.10 . 1 . . . . . . . . 5062 1 621 . 1 1 133 133 ASP C C 13 176.56 0.10 . 1 . . . . . . . . 5062 1 622 . 1 1 133 133 ASP CA C 13 54.06 0.10 . 1 . . . . . . . . 5062 1 623 . 1 1 133 133 ASP N N 15 119.20 0.05 . 1 . . . . . . . . 5062 1 624 . 1 1 134 134 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 5062 1 625 . 1 1 134 134 ASP CB C 13 39.36 0.10 . 1 . . . . . . . . 5062 1 626 . 1 1 134 134 ASP C C 13 177.02 0.10 . 1 . . . . . . . . 5062 1 627 . 1 1 134 134 ASP CA C 13 54.48 0.10 . 1 . . . . . . . . 5062 1 628 . 1 1 134 134 ASP N N 15 121.54 0.05 . 1 . . . . . . . . 5062 1 629 . 1 1 135 135 THR H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 630 . 1 1 135 135 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 631 . 1 1 135 135 THR C C 13 177.47 0.10 . 1 . . . . . . . . 5062 1 632 . 1 1 135 135 THR CA C 13 62.00 0.10 . 1 . . . . . . . . 5062 1 633 . 1 1 135 135 THR N N 15 114.66 0.05 . 1 . . . . . . . . 5062 1 634 . 1 1 136 136 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5062 1 635 . 1 1 136 136 VAL CB C 13 33.73 0.10 . 1 . . . . . . . . 5062 1 636 . 1 1 136 136 VAL C C 13 175.89 0.10 . 1 . . . . . . . . 5062 1 637 . 1 1 136 136 VAL CA C 13 61.18 0.10 . 1 . . . . . . . . 5062 1 638 . 1 1 136 136 VAL N N 15 122.99 0.05 . 1 . . . . . . . . 5062 1 639 . 1 1 137 137 LEU H H 1 8.42 0.02 . 1 . . . . . . . . 5062 1 640 . 1 1 137 137 LEU CB C 13 43.38 0.10 . 1 . . . . . . . . 5062 1 641 . 1 1 137 137 LEU C C 13 177.18 0.10 . 1 . . . . . . . . 5062 1 642 . 1 1 137 137 LEU CA C 13 55.17 0.10 . 1 . . . . . . . . 5062 1 643 . 1 1 137 137 LEU N N 15 126.49 0.05 . 1 . . . . . . . . 5062 1 644 . 1 1 138 138 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 5062 1 645 . 1 1 138 138 GLU CB C 13 30.36 0.10 . 1 . . . . . . . . 5062 1 646 . 1 1 138 138 GLU C C 13 175.86 0.10 . 1 . . . . . . . . 5062 1 647 . 1 1 138 138 GLU CA C 13 54.70 0.10 . 1 . . . . . . . . 5062 1 648 . 1 1 138 138 GLU N N 15 122.56 0.05 . 1 . . . . . . . . 5062 1 649 . 1 1 139 139 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 5062 1 650 . 1 1 139 139 GLU CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 651 . 1 1 139 139 GLU C C 13 175.83 0.10 . 1 . . . . . . . . 5062 1 652 . 1 1 139 139 GLU CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 653 . 1 1 139 139 GLU N N 15 121.03 0.05 . 1 . . . . . . . . 5062 1 654 . 1 1 140 140 MET H H 1 8.37 0.02 . 1 . . . . . . . . 5062 1 655 . 1 1 140 140 MET CB C 13 34.41 0.10 . 1 . . . . . . . . 5062 1 656 . 1 1 140 140 MET C C 13 176.12 0.10 . 1 . . . . . . . . 5062 1 657 . 1 1 140 140 MET CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 658 . 1 1 140 140 MET N N 15 122.75 0.05 . 1 . . . . . . . . 5062 1 659 . 1 1 141 141 SER H H 1 8.55 0.02 . 1 . . . . . . . . 5062 1 660 . 1 1 141 141 SER CB C 13 65.07 0.10 . 1 . . . . . . . . 5062 1 661 . 1 1 141 141 SER C C 13 174.22 0.10 . 1 . . . . . . . . 5062 1 662 . 1 1 141 141 SER CA C 13 56.93 0.10 . 1 . . . . . . . . 5062 1 663 . 1 1 141 141 SER N N 15 121.82 0.05 . 1 . . . . . . . . 5062 1 664 . 1 1 142 142 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 5062 1 665 . 1 1 142 142 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 666 . 1 1 142 142 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 667 . 1 1 142 142 LEU N N 15 127.21 0.05 . 1 . . . . . . . . 5062 1 668 . 1 1 143 143 PRO CB C 13 32.27 0.10 . 1 . . . . . . . . 5062 1 669 . 1 1 143 143 PRO C C 13 177.92 0.10 . 1 . . . . . . . . 5062 1 670 . 1 1 143 143 PRO CA C 13 63.09 0.10 . 1 . . . . . . . . 5062 1 671 . 1 1 144 144 GLY H H 1 8.59 0.02 . 1 . . . . . . . . 5062 1 672 . 1 1 144 144 GLY C C 13 178.18 0.10 . 1 . . . . . . . . 5062 1 673 . 1 1 144 144 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 674 . 1 1 144 144 GLY N N 15 110.17 0.05 . 1 . . . . . . . . 5062 1 675 . 1 1 145 145 ARG H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 676 . 1 1 145 145 ARG CB C 13 30.88 0.10 . 1 . . . . . . . . 5062 1 677 . 1 1 145 145 ARG C C 13 177.86 0.10 . 1 . . . . . . . . 5062 1 678 . 1 1 145 145 ARG CA C 13 55.94 0.10 . 1 . . . . . . . . 5062 1 679 . 1 1 145 145 ARG N N 15 121.53 0.05 . 1 . . . . . . . . 5062 1 680 . 1 1 146 146 TRP H H 1 8.47 0.02 . 1 . . . . . . . . 5062 1 681 . 1 1 146 146 TRP CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 682 . 1 1 146 146 TRP C C 13 176.17 0.10 . 1 . . . . . . . . 5062 1 683 . 1 1 146 146 TRP CA C 13 57.34 0.10 . 1 . . . . . . . . 5062 1 684 . 1 1 146 146 TRP N N 15 123.24 0.05 . 1 . . . . . . . . 5062 1 685 . 1 1 147 147 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 5062 1 686 . 1 1 147 147 LYS CB C 13 32.63 0.10 . 1 . . . . . . . . 5062 1 687 . 1 1 147 147 LYS CA C 13 53.61 0.10 . 1 . . . . . . . . 5062 1 688 . 1 1 147 147 LYS N N 15 125.48 0.05 . 1 . . . . . . . . 5062 1 689 . 1 1 148 148 PRO CB C 13 30.18 0.10 . 1 . . . . . . . . 5062 1 690 . 1 1 148 148 PRO C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 691 . 1 1 148 148 PRO CA C 13 56.25 0.10 . 1 . . . . . . . . 5062 1 692 . 1 1 149 149 LYS CB C 13 30.53 0.10 . 1 . . . . . . . . 5062 1 693 . 1 1 149 149 LYS C C 13 176.62 0.10 . 1 . . . . . . . . 5062 1 694 . 1 1 149 149 LYS CA C 13 51.91 0.10 . 1 . . . . . . . . 5062 1 695 . 1 1 149 149 LYS N N 15 125.76 0.05 . 1 . . . . . . . . 5062 1 696 . 1 1 150 150 MET H H 1 8.31 0.02 . 1 . . . . . . . . 5062 1 697 . 1 1 150 150 MET CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 698 . 1 1 150 150 MET C C 13 175.60 0.10 . 1 . . . . . . . . 5062 1 699 . 1 1 150 150 MET CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 700 . 1 1 150 150 MET N N 15 122.10 0.05 . 1 . . . . . . . . 5062 1 701 . 1 1 151 151 ILE H H 1 8.38 0.02 . 1 . . . . . . . . 5062 1 702 . 1 1 151 151 ILE CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 703 . 1 1 151 151 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 704 . 1 1 151 151 ILE CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 705 . 1 1 151 151 ILE N N 15 123.28 0.05 . 1 . . . . . . . . 5062 1 706 . 1 1 152 152 GLY H H 1 8.67 0.02 . 1 . . . . . . . . 5062 1 707 . 1 1 152 152 GLY C C 13 174.94 0.10 . 1 . . . . . . . . 5062 1 708 . 1 1 152 152 GLY CA C 13 44.92 0.10 . 1 . . . . . . . . 5062 1 709 . 1 1 152 152 GLY N N 15 114.03 0.05 . 1 . . . . . . . . 5062 1 710 . 1 1 153 153 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 5062 1 711 . 1 1 153 153 GLY C C 13 174.75 0.10 . 1 . . . . . . . . 5062 1 712 . 1 1 153 153 GLY CA C 13 44.92 0.10 . 1 . . . . . . . . 5062 1 713 . 1 1 153 153 GLY N N 15 109.80 0.05 . 1 . . . . . . . . 5062 1 714 . 1 1 154 154 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 5062 1 715 . 1 1 154 154 ILE CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 716 . 1 1 154 154 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 717 . 1 1 154 154 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 718 . 1 1 154 154 ILE N N 15 120.51 0.05 . 1 . . . . . . . . 5062 1 719 . 1 1 155 155 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 5062 1 720 . 1 1 155 155 GLY C C 13 174.94 0.10 . 1 . . . . . . . . 5062 1 721 . 1 1 155 155 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 722 . 1 1 155 155 GLY N N 15 113.40 0.05 . 1 . . . . . . . . 5062 1 723 . 1 1 156 156 GLY H H 1 8.37 0.02 . 1 . . . . . . . . 5062 1 724 . 1 1 156 156 GLY C C 13 178.18 0.10 . 1 . . . . . . . . 5062 1 725 . 1 1 156 156 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 726 . 1 1 156 156 GLY N N 15 109.76 0.05 . 1 . . . . . . . . 5062 1 727 . 1 1 157 157 PHE H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 728 . 1 1 157 157 PHE CB C 13 39.96 0.10 . 1 . . . . . . . . 5062 1 729 . 1 1 157 157 PHE C C 13 176.17 0.10 . 1 . . . . . . . . 5062 1 730 . 1 1 157 157 PHE CA C 13 55.95 0.10 . 1 . . . . . . . . 5062 1 731 . 1 1 157 157 PHE N N 15 121.30 0.05 . 1 . . . . . . . . 5062 1 732 . 1 1 158 158 ILE H H 1 8.28 0.02 . 1 . . . . . . . . 5062 1 733 . 1 1 158 158 ILE CB C 13 37.62 0.10 . 1 . . . . . . . . 5062 1 734 . 1 1 158 158 ILE C C 13 174.62 0.10 . 1 . . . . . . . . 5062 1 735 . 1 1 158 158 ILE CA C 13 60.61 0.10 . 1 . . . . . . . . 5062 1 736 . 1 1 158 158 ILE N N 15 123.52 0.05 . 1 . . . . . . . . 5062 1 737 . 1 1 159 159 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 5062 1 738 . 1 1 159 159 LYS CB C 13 34.41 0.10 . 1 . . . . . . . . 5062 1 739 . 1 1 159 159 LYS C C 13 175.40 0.10 . 1 . . . . . . . . 5062 1 740 . 1 1 159 159 LYS CA C 13 54.70 0.10 . 1 . . . . . . . . 5062 1 741 . 1 1 159 159 LYS N N 15 126.97 0.05 . 1 . . . . . . . . 5062 1 742 . 1 1 160 160 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5062 1 743 . 1 1 160 160 VAL CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 744 . 1 1 160 160 VAL C C 13 176.50 0.10 . 1 . . . . . . . . 5062 1 745 . 1 1 160 160 VAL CA C 13 60.92 0.10 . 1 . . . . . . . . 5062 1 746 . 1 1 160 160 VAL N N 15 122.76 0.05 . 1 . . . . . . . . 5062 1 747 . 1 1 161 161 ARG H H 1 8.60 0.02 . 1 . . . . . . . . 5062 1 748 . 1 1 161 161 ARG CB C 13 30.88 0.10 . 1 . . . . . . . . 5062 1 749 . 1 1 161 161 ARG C C 13 176.62 0.10 . 1 . . . . . . . . 5062 1 750 . 1 1 161 161 ARG CA C 13 56.10 0.10 . 1 . . . . . . . . 5062 1 751 . 1 1 161 161 ARG N N 15 125.51 0.05 . 1 . . . . . . . . 5062 1 752 . 1 1 162 162 GLN H H 1 8.54 0.02 . 1 . . . . . . . . 5062 1 753 . 1 1 162 162 GLN CB C 13 29.83 0.10 . 1 . . . . . . . . 5062 1 754 . 1 1 162 162 GLN C C 13 176.24 0.10 . 1 . . . . . . . . 5062 1 755 . 1 1 162 162 GLN CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 756 . 1 1 162 162 GLN N N 15 122.58 0.05 . 1 . . . . . . . . 5062 1 757 . 1 1 163 163 TYR H H 1 8.38 0.02 . 1 . . . . . . . . 5062 1 758 . 1 1 163 163 TYR CB C 13 37.18 0.10 . 1 . . . . . . . . 5062 1 759 . 1 1 163 163 TYR C C 13 177.11 0.10 . 1 . . . . . . . . 5062 1 760 . 1 1 163 163 TYR CA C 13 57.50 0.10 . 1 . . . . . . . . 5062 1 761 . 1 1 163 163 TYR N N 15 121.56 0.05 . 1 . . . . . . . . 5062 1 762 . 1 1 164 164 ASP H H 1 8.39 0.02 . 1 . . . . . . . . 5062 1 763 . 1 1 164 164 ASP CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 764 . 1 1 164 164 ASP C C 13 176.17 0.10 . 1 . . . . . . . . 5062 1 765 . 1 1 164 164 ASP CA C 13 54.23 0.10 . 1 . . . . . . . . 5062 1 766 . 1 1 164 164 ASP N N 15 122.49 0.05 . 1 . . . . . . . . 5062 1 767 . 1 1 165 165 GLN H H 1 8.59 0.02 . 1 . . . . . . . . 5062 1 768 . 1 1 165 165 GLN CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 769 . 1 1 165 165 GLN C C 13 177.62 0.10 . 1 . . . . . . . . 5062 1 770 . 1 1 165 165 GLN CA C 13 58.43 0.10 . 1 . . . . . . . . 5062 1 771 . 1 1 165 165 GLN N N 15 123.08 0.05 . 1 . . . . . . . . 5062 1 772 . 1 1 166 166 ILE H H 1 8.57 0.02 . 1 . . . . . . . . 5062 1 773 . 1 1 166 166 ILE CB C 13 39.83 0.10 . 1 . . . . . . . . 5062 1 774 . 1 1 166 166 ILE C C 13 177.53 0.10 . 1 . . . . . . . . 5062 1 775 . 1 1 166 166 ILE CA C 13 60.10 0.10 . 1 . . . . . . . . 5062 1 776 . 1 1 166 166 ILE N N 15 125.63 0.05 . 1 . . . . . . . . 5062 1 777 . 1 1 167 167 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5062 1 778 . 1 1 167 167 LEU CB C 13 42.98 0.10 . 1 . . . . . . . . 5062 1 779 . 1 1 167 167 LEU C C 13 176.69 0.10 . 1 . . . . . . . . 5062 1 780 . 1 1 167 167 LEU CA C 13 56.85 0.10 . 1 . . . . . . . . 5062 1 781 . 1 1 167 167 LEU N N 15 121.47 0.05 . 1 . . . . . . . . 5062 1 782 . 1 1 168 168 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 5062 1 783 . 1 1 168 168 ILE CB C 13 38.56 0.10 . 1 . . . . . . . . 5062 1 784 . 1 1 168 168 ILE C C 13 174.43 0.10 . 1 . . . . . . . . 5062 1 785 . 1 1 168 168 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 786 . 1 1 168 168 ILE N N 15 117.85 0.05 . 1 . . . . . . . . 5062 1 787 . 1 1 169 169 GLU H H 1 8.32 0.10 . 1 . . . . . . . . 5062 1 788 . 1 1 169 169 GLU CB C 13 29.92 0.10 . 1 . . . . . . . . 5062 1 789 . 1 1 169 169 GLU C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 790 . 1 1 169 169 GLU CA C 13 57.38 0.10 . 1 . . . . . . . . 5062 1 791 . 1 1 169 169 GLU N N 15 124.22 0.05 . 1 . . . . . . . . 5062 1 792 . 1 1 170 170 ILE H H 1 8.44 0.02 . 1 . . . . . . . . 5062 1 793 . 1 1 170 170 ILE CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 794 . 1 1 170 170 ILE C C 13 176.89 0.10 . 1 . . . . . . . . 5062 1 795 . 1 1 170 170 ILE CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 796 . 1 1 170 170 ILE N N 15 125.90 0.05 . 1 . . . . . . . . 5062 1 797 . 1 1 171 171 CYS H H 1 8.39 0.02 . 1 . . . . . . . . 5062 1 798 . 1 1 171 171 CYS CB C 13 30.18 0.10 . 1 . . . . . . . . 5062 1 799 . 1 1 171 171 CYS C C 13 176.37 0.10 . 1 . . . . . . . . 5062 1 800 . 1 1 171 171 CYS CA C 13 59.91 0.10 . 1 . . . . . . . . 5062 1 801 . 1 1 171 171 CYS N N 15 123.76 0.05 . 1 . . . . . . . . 5062 1 802 . 1 1 172 172 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 5062 1 803 . 1 1 172 172 ALA CB C 13 18.64 0.10 . 1 . . . . . . . . 5062 1 804 . 1 1 172 172 ALA C C 13 176.69 0.10 . 1 . . . . . . . . 5062 1 805 . 1 1 172 172 ALA CA C 13 55.32 0.10 . 1 . . . . . . . . 5062 1 806 . 1 1 172 172 ALA N N 15 122.45 0.05 . 1 . . . . . . . . 5062 1 807 . 1 1 173 173 HIS H H 1 8.51 0.02 . 1 . . . . . . . . 5062 1 808 . 1 1 173 173 HIS CB C 13 32.97 0.10 . 1 . . . . . . . . 5062 1 809 . 1 1 173 173 HIS C C 13 177.86 0.10 . 1 . . . . . . . . 5062 1 810 . 1 1 173 173 HIS CA C 13 54.70 0.10 . 1 . . . . . . . . 5062 1 811 . 1 1 173 173 HIS N N 15 125.72 0.05 . 1 . . . . . . . . 5062 1 812 . 1 1 174 174 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5062 1 813 . 1 1 174 174 LYS CB C 13 33.33 0.10 . 1 . . . . . . . . 5062 1 814 . 1 1 174 174 LYS C C 13 176.76 0.10 . 1 . . . . . . . . 5062 1 815 . 1 1 174 174 LYS CA C 13 56.05 0.10 . 1 . . . . . . . . 5062 1 816 . 1 1 174 174 LYS N N 15 123.35 0.05 . 1 . . . . . . . . 5062 1 817 . 1 1 175 175 ALA H H 1 8.61 0.02 . 1 . . . . . . . . 5062 1 818 . 1 1 175 175 ALA CB C 13 19.34 0.10 . 1 . . . . . . . . 5062 1 819 . 1 1 175 175 ALA C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 820 . 1 1 175 175 ALA CA C 13 52.06 0.10 . 1 . . . . . . . . 5062 1 821 . 1 1 175 175 ALA N N 15 126.94 0.05 . 1 . . . . . . . . 5062 1 822 . 1 1 176 176 ILE H H 1 8.31 0.02 . 1 . . . . . . . . 5062 1 823 . 1 1 176 176 ILE CB C 13 38.92 0.10 . 1 . . . . . . . . 5062 1 824 . 1 1 176 176 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 825 . 1 1 176 176 ILE CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 826 . 1 1 176 176 ILE N N 15 121.16 0.05 . 1 . . . . . . . . 5062 1 827 . 1 1 177 177 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 5062 1 828 . 1 1 177 177 GLY C C 13 174.62 0.10 . 1 . . . . . . . . 5062 1 829 . 1 1 177 177 GLY CA C 13 45.07 0.10 . 1 . . . . . . . . 5062 1 830 . 1 1 177 177 GLY N N 15 113.66 0.05 . 1 . . . . . . . . 5062 1 831 . 1 1 178 178 THR H H 1 8.22 0.02 . 1 . . . . . . . . 5062 1 832 . 1 1 178 178 THR CB C 13 70.02 0.10 . 1 . . . . . . . . 5062 1 833 . 1 1 178 178 THR C C 13 175.07 0.10 . 1 . . . . . . . . 5062 1 834 . 1 1 178 178 THR CA C 13 60.86 0.10 . 1 . . . . . . . . 5062 1 835 . 1 1 178 178 THR N N 15 115.02 0.05 . 1 . . . . . . . . 5062 1 836 . 1 1 179 179 VAL H H 1 8.35 0.02 . 1 . . . . . . . . 5062 1 837 . 1 1 179 179 VAL CB C 13 32.98 0.10 . 1 . . . . . . . . 5062 1 838 . 1 1 179 179 VAL C C 13 176.37 0.10 . 1 . . . . . . . . 5062 1 839 . 1 1 179 179 VAL CA C 13 62.00 0.10 . 1 . . . . . . . . 5062 1 840 . 1 1 179 179 VAL N N 15 122.39 0.05 . 1 . . . . . . . . 5062 1 841 . 1 1 180 180 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5062 1 842 . 1 1 180 180 LEU CB C 13 42.16 0.10 . 1 . . . . . . . . 5062 1 843 . 1 1 180 180 LEU C C 13 177.53 0.10 . 1 . . . . . . . . 5062 1 844 . 1 1 180 180 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 845 . 1 1 180 180 LEU N N 15 127.27 0.05 . 1 . . . . . . . . 5062 1 846 . 1 1 181 181 VAL H H 1 8.23 0.02 . 1 . . . . . . . . 5062 1 847 . 1 1 181 181 VAL CB C 13 32.62 0.10 . 1 . . . . . . . . 5062 1 848 . 1 1 181 181 VAL C C 13 175.76 0.10 . 1 . . . . . . . . 5062 1 849 . 1 1 181 181 VAL CA C 13 61.84 0.10 . 1 . . . . . . . . 5062 1 850 . 1 1 181 181 VAL N N 15 121.51 0.05 . 1 . . . . . . . . 5062 1 851 . 1 1 182 182 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 5062 1 852 . 1 1 182 182 GLY CA C 13 44.45 0.10 . 1 . . . . . . . . 5062 1 853 . 1 1 182 182 GLY N N 15 113.35 0.05 . 1 . . . . . . . . 5062 1 854 . 1 1 183 183 PRO CB C 13 43.11 0.10 . 1 . . . . . . . . 5062 1 855 . 1 1 183 183 PRO C C 13 175.18 0.10 . 1 . . . . . . . . 5062 1 856 . 1 1 183 183 PRO CA C 13 60.91 0.10 . 1 . . . . . . . . 5062 1 857 . 1 1 184 184 THR H H 1 8.19 0.02 . 1 . . . . . . . . 5062 1 858 . 1 1 184 184 THR CA C 13 56.72 0.10 . 1 . . . . . . . . 5062 1 859 . 1 1 184 184 THR N N 15 132.55 0.05 . 1 . . . . . . . . 5062 1 860 . 1 1 185 185 PRO CB C 13 29.82 0.10 . 1 . . . . . . . . 5062 1 861 . 1 1 185 185 PRO C C 13 176.86 0.10 . 1 . . . . . . . . 5062 1 862 . 1 1 185 185 PRO CA C 13 55.33 0.10 . 1 . . . . . . . . 5062 1 863 . 1 1 186 186 VAL H H 1 8.51 0.02 . 1 . . . . . . . . 5062 1 864 . 1 1 186 186 VAL CB C 13 33.58 0.10 . 1 . . . . . . . . 5062 1 865 . 1 1 186 186 VAL C C 13 176.18 0.10 . 1 . . . . . . . . 5062 1 866 . 1 1 186 186 VAL CA C 13 61.25 0.10 . 1 . . . . . . . . 5062 1 867 . 1 1 186 186 VAL N N 15 123.37 0.05 . 1 . . . . . . . . 5062 1 868 . 1 1 187 187 ASN H H 1 8.60 0.02 . 1 . . . . . . . . 5062 1 869 . 1 1 187 187 ASN CB C 13 39.82 0.10 . 1 . . . . . . . . 5062 1 870 . 1 1 187 187 ASN C C 13 175.11 0.10 . 1 . . . . . . . . 5062 1 871 . 1 1 187 187 ASN CA C 13 50.94 0.10 . 1 . . . . . . . . 5062 1 872 . 1 1 187 187 ASN N N 15 122.45 0.05 . 1 . . . . . . . . 5062 1 873 . 1 1 188 188 ILE H H 1 8.59 0.02 . 1 . . . . . . . . 5062 1 874 . 1 1 188 188 ILE CB C 13 39.70 0.10 . 1 . . . . . . . . 5062 1 875 . 1 1 188 188 ILE C C 13 176.26 0.10 . 1 . . . . . . . . 5062 1 876 . 1 1 188 188 ILE CA C 13 59.79 0.10 . 1 . . . . . . . . 5062 1 877 . 1 1 188 188 ILE N N 15 123.54 0.05 . 1 . . . . . . . . 5062 1 878 . 1 1 189 189 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 5062 1 879 . 1 1 189 189 ILE CB C 13 38.21 0.10 . 1 . . . . . . . . 5062 1 880 . 1 1 189 189 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 881 . 1 1 189 189 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 882 . 1 1 189 189 ILE N N 15 121.36 0.05 . 1 . . . . . . . . 5062 1 883 . 1 1 190 190 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5062 1 884 . 1 1 190 190 GLY C C 13 176.24 0.10 . 1 . . . . . . . . 5062 1 885 . 1 1 190 190 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 886 . 1 1 190 190 GLY N N 15 113.80 0.05 . 1 . . . . . . . . 5062 1 887 . 1 1 191 191 ARG H H 1 8.40 0.02 . 1 . . . . . . . . 5062 1 888 . 1 1 191 191 ARG CB C 13 30.53 0.10 . 1 . . . . . . . . 5062 1 889 . 1 1 191 191 ARG C C 13 176.76 0.10 . 1 . . . . . . . . 5062 1 890 . 1 1 191 191 ARG CA C 13 55.79 0.10 . 1 . . . . . . . . 5062 1 891 . 1 1 191 191 ARG N N 15 121.49 0.05 . 1 . . . . . . . . 5062 1 892 . 1 1 192 192 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5062 1 893 . 1 1 192 192 ASN CB C 13 38.57 0.10 . 1 . . . . . . . . 5062 1 894 . 1 1 192 192 ASN C C 13 174.69 0.10 . 1 . . . . . . . . 5062 1 895 . 1 1 192 192 ASN CA C 13 55.07 0.10 . 1 . . . . . . . . 5062 1 896 . 1 1 192 192 ASN N N 15 122.54 0.05 . 1 . . . . . . . . 5062 1 897 . 1 1 193 193 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 5062 1 898 . 1 1 193 193 LEU CB C 13 41.71 0.10 . 1 . . . . . . . . 5062 1 899 . 1 1 193 193 LEU C C 13 175.53 0.10 . 1 . . . . . . . . 5062 1 900 . 1 1 193 193 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 901 . 1 1 193 193 LEU N N 15 125.76 0.05 . 1 . . . . . . . . 5062 1 902 . 1 1 194 194 LEU H H 1 8.35 0.02 . 1 . . . . . . . . 5062 1 903 . 1 1 194 194 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 904 . 1 1 194 194 LEU C C 13 178.18 0.10 . 1 . . . . . . . . 5062 1 905 . 1 1 194 194 LEU CA C 13 61.07 0.10 . 1 . . . . . . . . 5062 1 906 . 1 1 194 194 LEU N N 15 123.06 0.05 . 1 . . . . . . . . 5062 1 907 . 1 1 195 195 THR H H 1 8.18 0.02 . 1 . . . . . . . . 5062 1 908 . 1 1 195 195 THR CB C 13 69.67 0.10 . 1 . . . . . . . . 5062 1 909 . 1 1 195 195 THR C C 13 177.86 0.10 . 1 . . . . . . . . 5062 1 910 . 1 1 195 195 THR CA C 13 61.54 0.10 . 1 . . . . . . . . 5062 1 911 . 1 1 195 195 THR N N 15 114.80 0.05 . 1 . . . . . . . . 5062 1 912 . 1 1 196 196 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 5062 1 913 . 1 1 196 196 GLN CB C 13 28.92 0.10 . 1 . . . . . . . . 5062 1 914 . 1 1 196 196 GLN C C 13 176.56 0.10 . 1 . . . . . . . . 5062 1 915 . 1 1 196 196 GLN CA C 13 57.27 0.10 . 1 . . . . . . . . 5062 1 916 . 1 1 196 196 GLN N N 15 122.08 0.05 . 1 . . . . . . . . 5062 1 917 . 1 1 197 197 ILE H H 1 8.33 0.02 . 1 . . . . . . . . 5062 1 918 . 1 1 197 197 ILE CB C 13 38.56 0.10 . 1 . . . . . . . . 5062 1 919 . 1 1 197 197 ILE C C 13 177.27 0.10 . 1 . . . . . . . . 5062 1 920 . 1 1 197 197 ILE CA C 13 61.23 0.10 . 1 . . . . . . . . 5062 1 921 . 1 1 197 197 ILE N N 15 125.18 0.05 . 1 . . . . . . . . 5062 1 922 . 1 1 198 198 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 5062 1 923 . 1 1 198 198 GLY C C 13 177.15 0.10 . 1 . . . . . . . . 5062 1 924 . 1 1 198 198 GLY CA C 13 45.23 0.10 . 1 . . . . . . . . 5062 1 925 . 1 1 198 198 GLY N N 15 113.66 0.05 . 1 . . . . . . . . 5062 1 926 . 1 1 199 199 ALA H H 1 8.54 0.02 . 1 . . . . . . . . 5062 1 927 . 1 1 199 199 ALA CB C 13 19.69 0.10 . 1 . . . . . . . . 5062 1 928 . 1 1 199 199 ALA C C 13 178.50 0.10 . 1 . . . . . . . . 5062 1 929 . 1 1 199 199 ALA CA C 13 55.17 0.10 . 1 . . . . . . . . 5062 1 930 . 1 1 199 199 ALA N N 15 124.13 0.05 . 1 . . . . . . . . 5062 1 931 . 1 1 200 200 THR H H 1 8.32 0.02 . 1 . . . . . . . . 5062 1 932 . 1 1 200 200 THR CB C 13 69.67 0.10 . 1 . . . . . . . . 5062 1 933 . 1 1 200 200 THR C C 13 175.01 0.10 . 1 . . . . . . . . 5062 1 934 . 1 1 200 200 THR CA C 13 61.54 0.10 . 1 . . . . . . . . 5062 1 935 . 1 1 200 200 THR N N 15 114.07 0.05 . 1 . . . . . . . . 5062 1 936 . 1 1 201 201 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 5062 1 937 . 1 1 201 201 LEU CB C 13 42.06 0.10 . 1 . . . . . . . . 5062 1 938 . 1 1 201 201 LEU C C 13 177.14 0.10 . 1 . . . . . . . . 5062 1 939 . 1 1 201 201 LEU CA C 13 54.86 0.10 . 1 . . . . . . . . 5062 1 940 . 1 1 201 201 LEU N N 15 125.04 0.05 . 1 . . . . . . . . 5062 1 941 . 1 1 202 202 ASN H H 1 8.49 0.02 . 1 . . . . . . . . 5062 1 942 . 1 1 202 202 ASN CB C 13 39.27 0.10 . 1 . . . . . . . . 5062 1 943 . 1 1 202 202 ASN C C 13 176.24 0.10 . 1 . . . . . . . . 5062 1 944 . 1 1 202 202 ASN CA C 13 52.68 0.10 . 1 . . . . . . . . 5062 1 945 . 1 1 202 202 ASN N N 15 120.18 0.05 . 1 . . . . . . . . 5062 1 946 . 1 1 203 203 PHE H H 1 8.41 0.02 . 1 . . . . . . . . 5062 1 947 . 1 1 203 203 PHE CB C 13 39.27 0.10 . 1 . . . . . . . . 5062 1 948 . 1 1 203 203 PHE C C 13 176.62 0.10 . 1 . . . . . . . . 5062 1 949 . 1 1 203 203 PHE CA C 13 57.65 0.10 . 1 . . . . . . . . 5062 1 950 . 1 1 203 203 PHE N N 15 122.08 0.05 . 1 . . . . . . . . 5062 1 stop_ save_