data_19072 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease Bmut5 ; _BMRB_accession_number 19072 _BMRB_flat_file_name bmr19072.str _Entry_type original _Submission_date 2013-03-04 _Accession_date 2013-03-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Xi . . 2 Fanucci Gail . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 89 "T2 relaxation values" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-07 update BMRB 'update entry citation' 2013-03-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17964 'Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease CRF01_AE' 17994 'Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease Bmut5' stop_ save_ ############################# # Citation for this entry # ############################# save_Backbone_1H_13C_and_15N_Chemical_Shift_Assignment_for_HIV-1_protease_Variants _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone H, C, and N chemical shift assignment for HIV-1 protease subtypes and multi-drug resistant variant MDR 769.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22752791 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Xi . . 2 'de Vera' 'Ian Mitchelle S' . . 3 Veloro Angelo M. . 4 Rocca James R. . 5 Simmerling Carlos . . 6 Dunn Ben M. . 7 Fanucci Gail E. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 199 _Page_last 202 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-1 PR Homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 Protease Bmut5, 1' $HIV-1_PR_Homodimer_Bmut5 'HIV-1 Protease Bmut5, 2' $HIV-1_PR_Homodimer_Bmut5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_PR_Homodimer_Bmut5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HIV-1_PR_Homodimer_Bmut5 _Molecular_mass 21115.04 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; PQITLWKRPLVTIKVGGQLK EALLNTGADDTVIEDMNLPG KWKPKMIGGIGGFIKVKQYD QIIIEIAGHKAIGTVLVGPT PVNIIGRNLLTQIGATLNF ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 GLN 3 ILE 4 THR 5 LEU 6 TRP 7 LYS 8 ARG 9 PRO 10 LEU 11 VAL 12 THR 13 ILE 14 LYS 15 VAL 16 GLY 17 GLY 18 GLN 19 LEU 20 LYS 21 GLU 22 ALA 23 LEU 24 LEU 25 ASN 26 THR 27 GLY 28 ALA 29 ASP 30 ASP 31 THR 32 VAL 33 ILE 34 GLU 35 ASP 36 MET 37 ASN 38 LEU 39 PRO 40 GLY 41 LYS 42 TRP 43 LYS 44 PRO 45 LYS 46 MET 47 ILE 48 GLY 49 GLY 50 ILE 51 GLY 52 GLY 53 PHE 54 ILE 55 LYS 56 VAL 57 LYS 58 GLN 59 TYR 60 ASP 61 GLN 62 ILE 63 ILE 64 ILE 65 GLU 66 ILE 67 ALA 68 GLY 69 HIS 70 LYS 71 ALA 72 ILE 73 GLY 74 THR 75 VAL 76 LEU 77 VAL 78 GLY 79 PRO 80 THR 81 PRO 82 VAL 83 ASN 84 ILE 85 ILE 86 GLY 87 ARG 88 ASN 89 LEU 90 LEU 91 THR 92 GLN 93 ILE 94 GLY 95 ALA 96 THR 97 LEU 98 ASN 99 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17994 HIV-1_PR_Homodimer_Bmut5 100.00 99 100.00 100.00 1.59e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_PR_Homodimer_Bmut5 HIV-1 11676 Viruses . Lentivirus HIV-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HIV-1_PR_Homodimer_Bmut5 'chemical synthesis' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_PR_Homodimer_Bmut5 0.1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_AMRIS _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_1H-15N_heteronuclear_NOE_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronuclear NOE' _Sample_label $sample_1 save_ save_1H-15N_heteronuclear_T1_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronuclear T1' _Sample_label $sample_1 save_ save_1H-15N_heteronuclear_T2_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronuclear T2' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 2 . mM pH 5.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.101329118 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name 'HIV-1 Protease Bmut5, 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLN N 0.9505225538 0.0201054696 2 3 ILE N 0.8541628617 0.043005433 3 4 THR N 0.8152867469 0.0488763741 4 6 TRP N 0.8957315581 0.0356854288 5 7 LYS N 0.8266974694 0.0142431728 6 8 ARG N 0.9360638222 0.0298575852 7 10 LEU N 0.6949628499 0.0246316296 8 12 THR N 0.8182988871 0.026466708 9 13 ILE N 0.9041806567 0.0451737765 10 14 LYS N 0.9183295201 0.0463891179 11 15 VAL N 0.8755434881 0.0357346198 12 16 GLY N 0.9597998346 0.0315381818 13 17 GLY N 0.9465588538 0.0286026186 14 18 GLN N 0.977359817 0.0200446904 15 19 LEU N 0.8802381316 0.0232229927 16 20 LYS N 0.8525994954 0.0405043919 17 21 GLU N 0.8845838678 0.0243386336 18 22 ALA N 0.8381260715 0.0295986795 19 23 LEU N 0.8435878455 0.0579188292 20 25 ASN N 0.6673766568 0.0532295054 21 26 THR N 0.7968534339 0.0650764816 22 27 GLY N 0.9145897181 0.0409208054 23 28 ALA N 0.830557456 0.0237461292 24 29 ASP N 0.7855984327 0.0318283452 25 30 ASP N 0.8266974694 0.0146328022 26 31 THR N 0.859511775 0.0318649423 27 32 VAL N 0.8102864584 0.0408812367 28 33 ILE N 0.8401595293 0.0476144105 29 34 GLU N 0.7538369937 0.0327674713 30 35 ASP N 0.7699660238 0.0278786501 31 36 MET N 0.8532300833 0.029351332 32 37 ASN N 1.0330227079 0.0224758119 33 38 LEU N 0.7958490653 0.0186457056 34 40 GLY N 0.8815932211 0.0115036501 35 41 LYS N 0.8407781004 0.0109484551 36 42 TRP N 0.8137367067 0.0172074151 37 43 LYS N 0.8039828435 0.0374522942 38 45 LYS N 1.0258903456 0.0199610654 39 46 MET N 0.8445150403 0.0246154169 40 47 ILE N 0.8616923465 0.0378030772 41 48 GLY N 0.9004958511 0.0218891616 42 49 GLY N 0.9436215802 0.013544253 43 50 ILE N 1.160503394 0.0098299211 44 51 GLY N 1.186844668 0.0159872687 45 52 GLY N 1.0653612034 0.0108412965 46 53 PHE N 0.9178908407 0.0123889375 47 54 ILE N 0.8813626879 0.0374589173 48 55 LYS N 0.9159319742 0.0204837864 49 56 VAL N 0.939138659 0.037310777 50 57 LYS N 1.0330227079 0.0221363165 51 58 GLN N 0.8232775552 0.0472438904 52 59 TYR N 0.6605129751 0.0569621813 53 60 ASP N 0.69580309 0.0228883239 54 61 GLN N 0.7317679737 0.0375153326 55 62 ILE N 0.7889079863 0.0198013927 56 63 ILE N 0.7359198102 0.0310707335 57 64 ILE N 0.9626521308 0.0396498916 58 65 GLU N 0.9374019722 0.0289466495 59 66 ILE N 0.7466256252 0.0483466582 60 67 ALA N 0.9094114503 0.0374733427 61 68 GLY N 0.8916297326 0.0250160113 62 70 LYS N 0.846873935 0.0239346772 63 71 ALA N 0.8543666851 0.0327559868 64 72 ILE N 0.8407781004 0.0113085436 65 73 GLY N 0.8386732251 0.0262877388 66 74 THR N 0.8451197611 0.0263262331 67 75 VAL N 0.7177151556 0.0474488115 68 76 LEU N 0.7733567762 0.0539672182 69 77 VAL N 0.774706342 0.0449869596 70 78 GLY N 0.9587651923 0.0265249351 71 80 THR N 0.8215127481 0.0151257937 72 82 VAL N 0.913219544 0.0215049526 73 83 ASN N 0.7919732356 0.0268195537 74 84 ILE N 0.7684203613 0.0433386122 75 85 ILE N 0.7704685184 0.0516261735 76 86 GLY N 0.7388294411 0.0762975692 77 87 ARG N 0.807877689 0.0231132384 78 88 ASN N 0.8845575964 0.0220425643 79 89 LEU N 0.8318831709 0.0385665169 80 90 LEU N 0.977359817 0.0204356416 81 91 THR N 0.9102464184 0.0328642135 82 92 GLN N 0.8443850785 0.0307725405 83 93 ILE N 0.7914339641 0.0379012886 84 94 GLY N 0.8766230694 0.0295765156 85 95 ALA N 0.783192286 0.024622335 86 96 THR N 0.8449763591 0.0516883668 87 97 LEU N 0.7889079863 0.0206667341 88 98 ASN N 0.8972108675 0.059772596 89 99 PHE N 0.8596627053 0.0272522453 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name 'HIV-1 Protease Bmut5, 1' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 GLN N 18.307089242 0.1868483699 . . 2 3 ILE N 17.0830919711 0.4194290932 . . 3 4 THR N 19.2986876489 0.5683885939 . . 4 6 TRP N 19.8161843827 0.4019388762 . . 5 7 LYS N 18.8065713377 0.1589710679 . . 6 8 ARG N 15.9355514682 0.2932887827 . . 7 10 LEU N 18.523016279 0.3162178896 . . 8 12 THR N 17.7298657115 0.2871016231 . . 9 13 ILE N 17.5942105964 0.45662819 . . 10 14 LYS N 19.773051842 0.4501928162 . . 11 15 VAL N 17.2788137623 0.3395443875 . . 12 16 GLY N 18.0035227369 0.3495903323 . . 13 17 GLY N 19.839574636 0.3146332179 . . 14 18 GLN N 17.1433380785 0.1976119985 . . 15 19 LEU N 14.9661397489 0.2121972312 . . 16 20 LYS N 16.1480958876 0.3949473935 . . 17 21 GLU N 16.6750049146 0.2781928869 . . 18 22 ALA N 17.0084913238 0.313202835 . . 19 23 LEU N 16.4457674547 0.5805893515 . . 20 25 ASN N 19.5527684005 0.7095458191 . . 21 26 THR N 18.3635765909 0.7078775731 . . 22 27 GLY N 20.0468121345 0.4618484994 . . 23 28 ALA N 17.3782321621 0.256688839 . . 24 29 ASP N 16.7739480177 0.3655032607 . . 25 30 ASP N 18.6860153676 0.1602623991 . . 26 31 THR N 16.9223419303 0.3877609421 . . 27 32 VAL N 21.5519655871 0.6057866705 . . 28 33 ILE N 18.1428825186 0.5805858341 . . 29 34 GLU N 17.9380844812 0.4172617951 . . 30 35 ASP N 18.4779101582 0.3250854404 . . 31 36 MET N 16.9668888767 0.3193466883 . . 32 37 ASN N 16.0056557651 0.2026390306 . . 33 38 LEU N 11.818430804 0.1387816792 . . 34 40 GLY N 12.0871397985 0.1071412036 . . 35 41 LYS N 13.3554420931 0.0990195231 . . 36 42 TRP N 14.812460491 0.1852703117 . . 37 43 LYS N 17.4070584961 0.4701878256 . . 38 45 LYS N 15.183179711 0.1867350217 . . 39 46 MET N 14.0073675731 0.1974887175 . . 40 47 ILE N 16.1536792293 0.428524416 . . 41 48 GLY N 14.5184071188 0.2136675263 . . 42 49 GLY N 11.5110482883 0.1046998065 . . 43 50 ILE N 10.7085415538 0.0728723733 . . 44 51 GLY N 12.3774353135 0.1203554293 . . 45 52 GLY N 10.669710988 0.078321014 . . 46 53 PHE N 11.5106449671 0.095121545 . . 47 54 ILE N 17.9952293356 0.3669888102 . . 48 55 LYS N 14.4722748138 0.1887430091 . . 49 56 VAL N 16.262843879 0.3552768647 . . 50 57 LYS N 15.7877461281 0.1899112421 . . 51 58 GLN N 16.9788798371 0.4668257954 . . 52 59 TYR N 18.3668266736 0.7376494909 . . 53 60 ASP N 17.7190798102 0.2506246058 . . 54 61 GLN N 17.6392142409 0.3971633854 . . 55 62 ILE N 20.3614034421 0.2725786635 . . 56 63 ILE N 15.8009840365 0.3526018932 . . 57 64 ILE N 18.755943045 0.4348595264 . . 58 65 GLU N 15.9413644523 0.3417978366 . . 59 66 ILE N 15.6175490863 0.4617616497 . . 60 67 ALA N 17.0687193258 0.3557167398 . . 61 68 GLY N 15.8133255473 0.2564059773 . . 62 70 LYS N 15.697317574 0.2320478818 . . 63 71 ALA N 16.0885881199 0.3810552954 . . 64 72 ILE N 13.4168062315 0.0991175795 . . 65 73 GLY N 18.5209990598 0.3425016615 . . 66 74 THR N 18.0484671247 0.2938502579 . . 67 75 VAL N 17.6209807557 0.5116185294 . . 68 76 LEU N 16.2393737791 0.6022989653 . . 69 77 VAL N 16.3375398134 0.5077036785 . . 70 78 GLY N 17.3576495965 0.2306604896 . . 71 80 THR N 13.0755125096 0.1481606037 . . 72 82 VAL N 16.5910264332 0.2112546834 . . 73 83 ASN N 15.8125193385 0.2603224083 . . 74 84 ILE N 17.5616364889 0.528119255 . . 75 85 ILE N 18.6818493513 0.6353016147 . . 76 86 GLY N 17.41418652 0.8772162812 . . 77 87 ARG N 18.4256920273 0.2436915152 . . 78 88 ASN N 18.8830865851 0.2565383313 . . 79 89 LEU N 18.37188824 0.4750961413 . . 80 90 LEU N 17.2284972373 0.1961847619 . . 81 91 THR N 20.0719692327 0.4069062723 . . 82 92 GLN N 17.7651380823 0.3440607334 . . 83 93 ILE N 17.5431216099 0.4595183471 . . 84 94 GLY N 17.471183187 0.3175094838 . . 85 95 ALA N 19.0083864951 0.2972724142 . . 86 96 THR N 17.8317822829 0.5169682697 . . 87 97 LEU N 20.3230448103 0.2583370726 . . 88 98 ASN N 20.1439604923 0.8011473835 . . 89 99 PHE N 18.6811054607 0.2617733556 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '1H-15N heteronuclear NOE' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'HIV-1 Protease Bmut5, 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 2.00E+07 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 GLN 0.6625463791 0.0356670155 3 ILE 0.7481711179 0.0172909776 4 THR 0.7871802829 0.0261406839 6 TRP 0.7905648752 0.0292534118 7 LYS 0.7587402063 0.0176046624 8 ARG 0.7856396371 0.0309433334 10 LEU 0.7736800797 0.0339994497 12 THR 0.8079834975 0.0082487433 13 ILE 0.7574500473 0.0825250939 14 LYS 0.8024870446 0.1001440904 15 VAL 0.8178583602 0.0360473717 16 GLY 0.7496643591 0.0156477382 17 GLY 0.7820210185 0.0036339132 18 GLN 0.73897134 0.0423804851 19 LEU 0.6588021192 0.0338770668 20 LYS 0.7165690932 0.0511363236 21 GLU 0.7230105755 0.0287578465 22 ALA 0.7984263623 0.0564684189 23 LEU 0.801379658 0.0137680252 25 ASN 0.8270570551 0.0339518696 26 THR 0.8338894385 0.0481052884 27 GLY 0.8130128055 0.0238969366 28 ALA 0.8050940981 0.0097064896 29 ASP 0.8342958633 0.0393003992 30 ASP 0.7587402063 0.0176046624 31 THR 0.6862482874 0.0177814288 32 VAL 0.8381043977 0.0493929192 33 ILE 0.7881402956 0.0752657025 34 GLU 0.8032266554 0.0778696471 35 ASP 0.7204367185 0.0229379353 36 MET 0.6622337772 0.0038874162 37 ASN 0.6920782474 0.0139259022 38 LEU 0.495113697 0.0083421098 40 GLY 0.4317097477 0.0172397483 41 LYS 0.5674050168 0.0176488943 42 TRP 0.5218811588 0.0330312844 43 LYS 0.7445366721 0.0475527137 45 LYS 0.6934402392 0.0588269312 46 MET 0.6751534635 0.0497292633 47 ILE 0.6779784483 0.0365602863 48 GLY 0.656300065 0.0121579259 49 GLY 0.4398318449 0.0104870275 50 ILE 0.3465391361 0.0057596081 51 GLY 0.3753586787 0.0103470269 52 GLY 0.4067978281 0.0068111999 53 PHE 0.4945914928 0.0052799197 54 ILE 0.6558593822 0.0276066057 55 LYS 0.6872261067 0.0283487318 56 VAL 0.6939405534 0.0365693125 57 LYS 0.7420263552 0.0413710482 58 GLN 0.7907355546 0.0821880685 59 TYR 0.821909473 0.0381038033 60 ASP 0.7477518181 0.0300668725 61 GLN 0.7601631411 0.0155025737 62 ILE 0.8155161215 0.021913494 63 ILE 0.7533097688 0.0227634228 64 ILE 0.7764801841 0.0677851247 65 GLU 0.7223859369 0.0601267146 66 ILE 0.7736120617 0.0337322955 67 ALA 0.7308508948 0.0209603964 68 GLY 0.7887950324 0.007117261 70 LYS 0.7112822229 0.0135102465 71 ALA 0.7457087227 0.00811813 72 ILE 0.7058461567 0.0350420301 73 GLY 0.7970586627 0.0365410571 74 THR 0.7917504955 0.0439076514 75 VAL 0.8368584917 0.0273962055 76 LEU 0.7866988463 0.0261920475 77 VAL 0.845907695 0.0801924381 78 GLY 0.7989946969 0.0991535318 80 THR 0.2850376664 0.0099123324 82 VAL 0.7550214211 0.0372914549 83 ASN 0.7697497158 0.016343213 84 ILE 0.8284589792 0.1016385036 85 ILE 0.8550758263 0.057254121 86 GLY 0.7885584307 0.0533707488 87 ARG 0.8175498658 0.0245385254 88 ASN 0.8195888195 0.0220357206 89 LEU 0.7864100947 0.0131834604 90 LEU 0.8146867551 0.0335812467 91 THR 0.8045104024 0.0201300065 92 GLN 0.7829160631 0.0078748715 93 ILE 0.8114909622 0.0135115415 94 GLY 0.8940360857 0.0176139495 95 ALA 0.8090079008 0.0092717867 96 THR 0.7705933115 0.0294223308 97 LEU 0.8155161215 0.021913494 98 ASN 0.8715312067 0.059331825 99 PHE 0.7980319143 0.0266214581 stop_ save_