data_15638 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N and 13C assignment of Rv1567c, an integral membrane protein from Mycobacterium tuberculosis ; _BMRB_accession_number 15638 _BMRB_flat_file_name bmr15638.str _Entry_type original _Submission_date 2008-01-25 _Accession_date 2008-01-25 _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 Nguyen Hau B. . 2 Cross Timothy A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 83 "13C chemical shifts" 166 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C backbone resonance assignment of Rv1567c, an integral membrane protein from Mycobacterium tuberculosis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636922 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nguyen Hau B. . 2 Cross Timothy A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 47 _Page_last 49 _Year 2008 _Details . loop_ _Keyword 'backbone assignment' 'integral membrane protein' 'Mycobacterium tuberculosis' 'solution NMR' 'structural genomics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rv1567c monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rv1567c $Rv1567c 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_Rv1567c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rv1567c _Molecular_mass 10362.2 _Mol_thiol_state unknown _Details 'Integral membrane protein from Mycobacterium tuberculosis strain H37Rv' ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GSHMVTMTSWPSRLFAFTDN VCPPDACPLVPFGVNYYIYP VMWGGIGAAIATAVIGPFVS MLKGWYMSFWPIISIAVITV TSIAGYAIAGFSERYWH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 VAL 6 3 THR 7 4 MET 8 5 THR 9 6 SER 10 7 TRP 11 8 PRO 12 9 SER 13 10 ARG 14 11 LEU 15 12 PHE 16 13 ALA 17 14 PHE 18 15 THR 19 16 ASP 20 17 ASN 21 18 VAL 22 19 CYS 23 20 PRO 24 21 PRO 25 22 ASP 26 23 ALA 27 24 CYS 28 25 PRO 29 26 LEU 30 27 VAL 31 28 PRO 32 29 PHE 33 30 GLY 34 31 VAL 35 32 ASN 36 33 TYR 37 34 TYR 38 35 ILE 39 36 TYR 40 37 PRO 41 38 VAL 42 39 MET 43 40 TRP 44 41 GLY 45 42 GLY 46 43 ILE 47 44 GLY 48 45 ALA 49 46 ALA 50 47 ILE 51 48 ALA 52 49 THR 53 50 ALA 54 51 VAL 55 52 ILE 56 53 GLY 57 54 PRO 58 55 PHE 59 56 VAL 60 57 SER 61 58 MET 62 59 LEU 63 60 LYS 64 61 GLY 65 62 TRP 66 63 TYR 67 64 MET 68 65 SER 69 66 PHE 70 67 TRP 71 68 PRO 72 69 ILE 73 70 ILE 74 71 SER 75 72 ILE 76 73 ALA 77 74 VAL 78 75 ILE 79 76 THR 80 77 VAL 81 78 THR 82 79 SER 83 80 ILE 84 81 ALA 85 82 GLY 86 83 TYR 87 84 ALA 88 85 ILE 89 86 ALA 90 87 GLY 91 88 PHE 92 89 SER 93 90 GLU 94 91 ARG 95 92 TYR 96 93 TRP 97 94 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 DBJ BAH25883 "hypothetical membrane protein [Mycobacterium bovis BCG str. Tokyo 172]" 96.91 94 100.00 100.00 2.65e-59 DBJ BAL65539 "hypothetical protein ERDMAN_1743 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 96.91 94 100.00 100.00 2.65e-59 DBJ BAQ05567 "hypothetical protein KURONO_1768 [Mycobacterium tuberculosis str. Kurono]" 96.91 94 100.00 100.00 2.65e-59 DBJ GAA45311 "hypothetical protein NCGM2209_1934 [Mycobacterium tuberculosis NCGM2209]" 96.91 107 100.00 100.00 1.17e-59 EMBL CAL71607 "hypothetical membrane protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" 96.91 94 100.00 100.00 2.65e-59 EMBL CCC26666 "putative hypothetical membrane protein [Mycobacterium africanum GM041182]" 96.91 94 98.94 100.00 4.47e-59 EMBL CCC43922 "putative hypothetical membrane protein [Mycobacterium canettii CIPT 140010059]" 96.91 94 100.00 100.00 2.65e-59 EMBL CCC64180 "hypothetical membrane protein [Mycobacterium bovis BCG str. Moreau RDJ]" 96.91 94 100.00 100.00 2.65e-59 EMBL CCE37081 "unnamed protein product [Mycobacterium tuberculosis UT205]" 96.91 94 100.00 100.00 2.65e-59 GB AAB96955 "unknown [Mycobacterium bovis BCG]" 96.91 190 100.00 100.00 1.48e-59 GB AAK45885 "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" 96.91 94 100.00 100.00 2.65e-59 GB ABQ73324 "putative hypothetical membrane protein [Mycobacterium tuberculosis H37Ra]" 96.91 94 100.00 100.00 2.65e-59 GB ABR05943 "hypothetical membrane protein [Mycobacterium tuberculosis F11]" 96.91 190 100.00 100.00 1.34e-59 GB ACT25484 "hypothetical membrane protein [Mycobacterium tuberculosis KZN 1435]" 96.91 190 100.00 100.00 1.40e-59 REF NP_216083 "membrane protein [Mycobacterium tuberculosis H37Rv]" 96.91 94 100.00 100.00 2.65e-59 REF NP_855246 "hypothetical protein Mb1594c [Mycobacterium bovis AF2122/97]" 96.91 94 100.00 100.00 2.65e-59 REF WP_003407802 "MULTISPECIES: membrane protein [Mycobacterium tuberculosis complex]" 96.91 94 100.00 100.00 2.65e-59 REF WP_003911567 "MULTISPECIES: membrane protein [Mycobacterium tuberculosis complex]" 96.91 149 100.00 100.00 1.28e-59 REF WP_020424437 "MULTISPECIES: membrane protein [Mycobacterium tuberculosis complex]" 96.91 149 100.00 100.00 1.30e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $Rv1567c 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis H37Rv Rv1567c 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 $Rv1567c 'recombinant technology' . Escherichia coli 'BL21(DE3) RP plus' pET15b 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 $Rv1567c 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rv1567c 1 mM '[U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 720 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 10 . mM pH 4 . pH pressure 1 . atm temperature 323 . 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Rv1567c _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 MET H H 8.398 0.02 1 2 1 4 MET C C 175.992 0.4 1 3 1 4 MET CA C 56.518 0.45 1 4 1 4 MET N N 120.079 0.2 1 5 2 5 VAL H H 7.791 0.02 1 6 2 5 VAL C C 175.656 0.4 1 7 2 5 VAL CA C 62.458 0.45 1 8 2 5 VAL N N 118.419 0.2 1 9 3 6 THR H H 7.991 0.02 1 10 3 6 THR C C 174.896 0.4 1 11 3 6 THR CA C 61.971 0.45 1 12 3 6 THR N N 116.064 0.2 1 13 4 7 MET H H 8.220 0.02 1 14 4 7 MET C C 176.324 0.4 1 15 4 7 MET CA C 56.477 0.45 1 16 4 7 MET N N 121.586 0.2 1 17 5 8 THR H H 7.757 0.02 1 18 5 8 THR C C 174.937 0.4 1 19 5 8 THR CA C 63.030 0.45 1 20 5 8 THR N N 110.419 0.2 1 21 6 9 SER H H 8.088 0.02 1 22 6 9 SER C C 174.994 0.4 1 23 6 9 SER CA C 58.782 0.45 1 24 6 9 SER N N 115.615 0.2 1 25 7 10 TRP H H 8.115 0.02 1 26 7 10 TRP CA C 60.017 0.45 1 27 7 10 TRP N N 122.566 0.2 1 28 8 11 PRO C C 177.071 0.4 1 29 8 11 PRO CA C 66.048 0.45 1 30 9 12 SER H H 7.854 0.02 1 31 9 12 SER CA C 61.530 0.45 1 32 9 12 SER N N 112.186 0.2 1 33 10 13 ARG H H 7.950 0.02 1 34 10 13 ARG C C 177.889 0.4 1 35 10 13 ARG CA C 58.442 0.45 1 36 10 13 ARG N N 121.309 0.2 1 37 11 14 LEU H H 7.889 0.02 1 38 11 14 LEU C C 180.229 0.4 1 39 11 14 LEU CA C 57.789 0.45 1 40 11 14 LEU N N 119.370 0.2 1 41 12 15 PHE H H 8.108 0.02 1 42 12 15 PHE C C 177.084 0.4 1 43 12 15 PHE CA C 59.459 0.45 1 44 12 15 PHE N N 117.754 0.2 1 45 13 16 ALA H H 7.856 0.02 1 46 13 16 ALA C C 179.274 0.4 1 47 13 16 ALA CA C 54.667 0.45 1 48 13 16 ALA N N 121.796 0.2 1 49 14 17 PHE H H 7.876 0.02 1 50 14 17 PHE C C 177.328 0.4 1 51 14 17 PHE CA C 60.252 0.45 1 52 14 17 PHE N N 116.986 0.2 1 53 15 18 THR H H 8.145 0.02 1 54 15 18 THR C C 175.583 0.4 1 55 15 18 THR CA C 65.383 0.45 1 56 15 18 THR N N 112.087 0.2 1 57 16 19 ASP H H 8.071 0.02 1 58 16 19 ASP C C 175.524 0.4 1 59 16 19 ASP CA C 54.941 0.45 1 60 16 19 ASP N N 118.759 0.2 1 61 17 20 ASN H H 7.685 0.02 1 62 17 20 ASN C C 175.555 0.4 1 63 17 20 ASN CA C 54.534 0.45 1 64 17 20 ASN N N 115.656 0.2 1 65 18 21 VAL H H 7.485 0.02 1 66 18 21 VAL C C 174.744 0.4 1 67 18 21 VAL CA C 63.060 0.45 1 68 18 21 VAL N N 115.346 0.2 1 69 19 22 CYS H H 8.078 0.02 1 70 19 22 CYS CA C 54.417 0.45 1 71 19 22 CYS N N 119.815 0.2 1 72 21 24 PRO C C 177.150 0.4 1 73 21 24 PRO CA C 64.915 0.45 1 74 22 25 ASP H H 8.364 0.02 1 75 22 25 ASP C C 175.085 0.4 1 76 22 25 ASP CA C 54.448 0.45 1 77 22 25 ASP N N 113.868 0.2 1 78 23 26 ALA H H 8.016 0.02 1 79 23 26 ALA C C 175.722 0.4 1 80 23 26 ALA CA C 52.372 0.45 1 81 23 26 ALA N N 122.425 0.2 1 82 24 27 CYS H H 8.189 0.02 1 83 24 27 CYS CA C 53.321 0.45 1 84 24 27 CYS N N 118.171 0.2 1 85 25 28 PRO C C 176.840 0.4 1 86 25 28 PRO CA C 64.111 0.45 1 87 26 29 LEU H H 7.931 0.02 1 88 26 29 LEU C C 176.096 0.4 1 89 26 29 LEU CA C 55.842 0.45 1 90 26 29 LEU N N 119.448 0.2 1 91 27 30 VAL H H 7.534 0.02 1 92 27 30 VAL CA C 61.299 0.45 1 93 27 30 VAL N N 117.084 0.2 1 94 28 31 PRO CA C 63.785 0.45 1 95 29 32 PHE H H 7.607 0.02 1 96 29 32 PHE C C 176.012 0.4 1 97 29 32 PHE CA C 58.256 0.45 1 98 29 32 PHE N N 117.463 0.2 1 99 30 33 GLY H H 8.185 0.02 1 100 30 33 GLY C C 174.376 0.4 1 101 30 33 GLY CA C 46.140 0.45 1 102 30 33 GLY N N 108.294 0.2 1 103 31 34 VAL H H 7.840 0.02 1 104 31 34 VAL C C 175.807 0.4 1 105 31 34 VAL CA C 63.488 0.45 1 106 31 34 VAL N N 117.667 0.2 1 107 32 35 ASN H H 8.136 0.02 1 108 32 35 ASN C C 175.112 0.4 1 109 32 35 ASN CA C 54.214 0.45 1 110 32 35 ASN N N 118.840 0.2 1 111 33 36 TYR H H 7.658 0.02 1 112 33 36 TYR C C 173.937 0.4 1 113 33 36 TYR CA C 59.011 0.45 1 114 33 36 TYR N N 118.095 0.2 1 115 34 37 TYR H H 7.578 0.02 1 116 34 37 TYR C C 175.215 0.4 1 117 34 37 TYR CA C 58.791 0.45 1 118 34 37 TYR N N 116.928 0.2 1 119 35 38 ILE H H 7.320 0.02 1 120 35 38 ILE C C 177.122 0.4 1 121 35 38 ILE CA C 62.489 0.45 1 122 35 38 ILE N N 116.159 0.2 1 123 36 39 TYR H H 7.745 0.02 1 124 36 39 TYR CA C 58.361 0.45 1 125 36 39 TYR N N 121.928 0.2 1 126 37 40 PRO C C 177.171 0.4 1 127 37 40 PRO CA C 64.889 0.45 1 128 38 41 VAL H H 7.304 0.02 1 129 38 41 VAL C C 175.669 0.4 1 130 38 41 VAL CA C 63.770 0.45 1 131 38 41 VAL N N 115.799 0.2 1 132 39 42 MET H H 7.387 0.02 1 133 39 42 MET C C 178.034 0.4 1 134 39 42 MET CA C 56.868 0.45 1 135 39 42 MET N N 117.951 0.2 1 136 40 43 TRP H H 8.005 0.02 1 137 40 43 TRP CA C 58.155 0.45 1 138 40 43 TRP N N 119.274 0.2 1 139 41 44 GLY H H 8.140 0.02 1 140 41 44 GLY C C 175.390 0.4 1 141 41 44 GLY CA C 46.786 0.45 1 142 41 44 GLY N N 107.407 0.2 1 143 42 45 GLY H H 8.037 0.02 1 144 42 45 GLY CA C 46.457 0.45 1 145 42 45 GLY N N 108.414 0.2 1 146 43 46 ILE H H 7.941 0.02 1 147 43 46 ILE C C 177.315 0.4 1 148 43 46 ILE CA C 63.607 0.45 1 149 43 46 ILE N N 121.287 0.2 1 150 44 47 GLY H H 8.342 0.02 1 151 44 47 GLY CA C 47.535 0.45 1 152 44 47 GLY N N 107.954 0.2 1 153 45 48 ALA H H 8.066 0.02 1 154 45 48 ALA C C 179.698 0.4 1 155 45 48 ALA CA C 54.992 0.45 1 156 45 48 ALA N N 122.467 0.2 1 157 46 49 ALA H H 7.846 0.02 1 158 46 49 ALA C C 178.464 0.4 1 159 46 49 ALA CA C 54.976 0.45 1 160 46 49 ALA N N 121.054 0.2 1 161 47 50 ILE H H 8.080 0.02 1 162 47 50 ILE C C 174.424 0.4 1 163 47 50 ILE CA C 64.229 0.45 1 164 47 50 ILE N N 117.621 0.2 1 165 48 51 ALA H H 8.285 0.02 1 166 48 51 ALA C C 176.245 0.4 1 167 48 51 ALA CA C 55.530 0.45 1 168 48 51 ALA N N 121.705 0.2 1 169 49 52 THR H H 8.040 0.02 1 170 49 52 THR C C 175.935 0.4 1 171 49 52 THR CA C 65.530 0.45 1 172 49 52 THR N N 110.097 0.2 1 173 50 53 ALA H H 7.839 0.02 1 174 50 53 ALA C C 178.315 0.4 1 175 50 53 ALA CA C 54.264 0.45 1 176 50 53 ALA N N 122.692 0.2 1 177 51 54 VAL H H 7.755 0.02 1 178 51 54 VAL C C 176.233 0.4 1 179 51 54 VAL CA C 63.838 0.45 1 180 51 54 VAL N N 112.601 0.2 1 181 52 55 ILE H H 7.927 0.02 1 182 52 55 ILE C C 177.452 0.4 1 183 52 55 ILE CA C 63.804 0.45 1 184 52 55 ILE N N 116.938 0.2 1 185 53 56 GLY H H 8.194 0.02 1 186 53 56 GLY CA C 48.367 0.45 1 187 53 56 GLY N N 107.312 0.2 1 188 54 57 PRO CA C 65.164 0.45 1 189 55 58 PHE H H 7.857 0.02 1 190 55 58 PHE C C 177.042 0.4 1 191 55 58 PHE CA C 60.526 0.45 1 192 55 58 PHE N N 116.924 0.2 1 193 56 59 VAL H H 8.386 0.02 1 194 56 59 VAL C C 177.882 0.4 1 195 56 59 VAL CA C 67.172 0.45 1 196 56 59 VAL N N 119.047 0.2 1 197 57 60 SER H H 8.142 0.02 1 198 57 60 SER CA C 61.892 0.45 1 199 57 60 SER N N 114.202 0.2 1 200 58 61 MET C C 176.993 0.4 1 201 58 61 MET CA C 58.425 0.45 1 202 59 62 LEU H H 7.963 0.02 1 203 59 62 LEU CA C 57.914 0.45 1 204 59 62 LEU N N 119.135 0.2 1 205 60 63 LYS H H 8.260 0.02 1 206 60 63 LYS C C 178.659 0.4 1 207 60 63 LYS CA C 60.243 0.45 1 208 60 63 LYS N N 118.143 0.2 1 209 61 64 GLY H H 7.862 0.02 1 210 61 64 GLY C C 176.853 0.4 1 211 61 64 GLY CA C 47.151 0.45 1 212 61 64 GLY N N 105.797 0.2 1 213 62 65 TRP H H 8.148 0.02 1 214 62 65 TRP CA C 59.241 0.45 1 215 62 65 TRP N N 122.838 0.2 1 216 63 66 TYR C C 174.847 0.4 1 217 63 66 TYR CA C 61.877 0.45 1 218 64 67 MET H H 8.144 0.02 1 219 64 67 MET C C 178.685 0.4 1 220 64 67 MET CA C 57.875 0.45 1 221 64 67 MET N N 116.007 0.2 1 222 65 68 SER H H 7.920 0.02 1 223 65 68 SER C C 175.265 0.4 1 224 65 68 SER CA C 61.080 0.45 1 225 65 68 SER N N 113.564 0.2 1 226 66 69 PHE H H 8.088 0.02 1 227 66 69 PHE CA C 58.019 0.45 1 228 66 69 PHE N N 117.050 0.2 1 229 67 70 TRP H H 8.318 0.02 1 230 67 70 TRP CA C 61.851 0.45 1 231 67 70 TRP N N 122.762 0.2 1 232 68 71 PRO C C 176.266 0.4 1 233 68 71 PRO CA C 62.118 0.45 1 234 69 72 ILE H H 7.144 0.02 1 235 69 72 ILE C C 177.162 0.4 1 236 69 72 ILE CA C 62.933 0.45 1 237 69 72 ILE N N 119.356 0.2 1 238 70 73 ILE H H 7.776 0.02 1 239 70 73 ILE C C 177.345 0.4 1 240 70 73 ILE CA C 64.443 0.45 1 241 70 73 ILE N N 119.586 0.2 1 242 71 74 SER H H 8.143 0.02 1 243 71 74 SER CA C 61.798 0.45 1 244 71 74 SER N N 113.634 0.2 1 245 72 75 ILE C C 178.901 0.4 1 246 72 75 ILE CA C 63.538 0.45 1 247 73 76 ALA H H 8.084 0.02 1 248 73 76 ALA C C 178.818 0.4 1 249 73 76 ALA CA C 55.606 0.45 1 250 73 76 ALA N N 125.588 0.2 1 251 74 77 VAL H H 8.339 0.02 1 252 74 77 VAL C C 178.817 0.4 1 253 74 77 VAL CA C 67.094 0.45 1 254 74 77 VAL N N 116.697 0.2 1 255 75 78 ILE H H 8.166 0.02 1 256 75 78 ILE C C 180.289 0.4 1 257 75 78 ILE CA C 64.703 0.45 1 258 75 78 ILE N N 121.229 0.2 1 259 76 79 THR H H 8.142 0.02 1 260 76 79 THR C C 176.297 0.4 1 261 76 79 THR CA C 67.477 0.45 1 262 76 79 THR N N 118.113 0.2 1 263 77 80 VAL H H 8.426 0.02 1 264 77 80 VAL C C 177.413 0.4 1 265 77 80 VAL CA C 66.904 0.45 1 266 77 80 VAL N N 119.453 0.2 1 267 78 81 THR H H 8.294 0.02 1 268 78 81 THR C C 177.108 0.4 1 269 78 81 THR CA C 66.870 0.45 1 270 78 81 THR N N 112.880 0.2 1 271 79 82 SER H H 7.930 0.02 1 272 79 82 SER CA C 61.792 0.45 1 273 79 82 SER N N 117.437 0.2 1 274 80 83 ILE H H 7.847 0.02 1 275 80 83 ILE C C 177.536 0.4 1 276 80 83 ILE CA C 63.924 0.45 1 277 80 83 ILE N N 120.047 0.2 1 278 81 84 ALA H H 8.410 0.02 1 279 81 84 ALA C C 178.986 0.4 1 280 81 84 ALA CA C 55.098 0.45 1 281 81 84 ALA N N 121.707 0.2 1 282 82 85 GLY H H 8.250 0.02 1 283 82 85 GLY C C 176.224 0.4 1 284 82 85 GLY CA C 47.689 0.45 1 285 82 85 GLY N N 104.336 0.2 1 286 83 86 TYR H H 7.853 0.02 1 287 83 86 TYR C C 178.268 0.4 1 288 83 86 TYR CA C 60.525 0.45 1 289 83 86 TYR N N 121.051 0.2 1 290 84 87 ALA H H 8.159 0.02 1 291 84 87 ALA C C 179.146 0.4 1 292 84 87 ALA CA C 54.822 0.45 1 293 84 87 ALA N N 122.436 0.2 1 294 85 88 ILE H H 8.373 0.02 1 295 85 88 ILE C C 178.141 0.4 1 296 85 88 ILE CA C 64.689 0.45 1 297 85 88 ILE N N 117.076 0.2 1 298 86 89 ALA H H 8.034 0.02 1 299 86 89 ALA C C 180.105 0.4 1 300 86 89 ALA CA C 55.202 0.45 1 301 86 89 ALA N N 123.334 0.2 1 302 87 90 GLY H H 8.119 0.02 1 303 87 90 GLY C C 175.833 0.4 1 304 87 90 GLY CA C 47.009 0.45 1 305 87 90 GLY N N 105.344 0.2 1 306 88 91 PHE H H 8.298 0.02 1 307 88 91 PHE C C 177.375 0.4 1 308 88 91 PHE CA C 60.966 0.45 1 309 88 91 PHE N N 121.309 0.2 1 310 89 92 SER H H 8.428 0.02 1 311 89 92 SER C C 175.878 0.4 1 312 89 92 SER CA C 61.443 0.45 1 313 89 92 SER N N 114.530 0.2 1 314 90 93 GLU H H 7.886 0.02 1 315 90 93 GLU C C 176.890 0.4 1 316 90 93 GLU CA C 57.692 0.45 1 317 90 93 GLU N N 118.901 0.2 1 318 91 94 ARG H H 7.496 0.02 1 319 91 94 ARG C C 176.650 0.4 1 320 91 94 ARG CA C 57.440 0.45 1 321 91 94 ARG N N 116.894 0.2 1 322 92 95 TYR H H 7.657 0.02 1 323 92 95 TYR C C 175.179 0.4 1 324 92 95 TYR CA C 58.884 0.45 1 325 92 95 TYR N N 115.899 0.2 1 326 93 96 TRP H H 7.738 0.02 1 327 93 96 TRP C C 174.859 0.4 1 328 93 96 TRP CA C 57.217 0.45 1 329 93 96 TRP N N 119.856 0.2 1 330 94 97 HIS H H 7.616 0.02 1 331 94 97 HIS CA C 55.403 0.45 1 332 94 97 HIS N N 121.072 0.2 1 stop_ save_