data_18326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of Ni(II)-NmtR ; _BMRB_accession_number 18326 _BMRB_flat_file_name bmr18326.str _Entry_type original _Submission_date 2012-03-13 _Accession_date 2012-03-13 _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 Lee 'Chul Won' . . 2 Giedroc David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 81 "13C chemical shifts" 69 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 update BMRB 'update entry citation' 2012-06-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18003 'apo form' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of NmtR, a Ni(II)/Co(II) metalloregulatory protein of Mycobacterium tuberculosis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22618866 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee 'Chul Won' . . 2 Giedroc David P. . 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 145 _Page_last 148 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ni(II)-bound NmtR homedimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NmtR, chain 1' $entity_NmtR 'NmtR, chain 2' $entity_NmtR 'Ni (II), 1' $entity_NI 'Ni (II), 2' $entity_NI 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_entity_NmtR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_NmtR _Molecular_mass 12720.436 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GHGVEGRNRPSAPLDSQAAA QVASTLQALATPSRLMILTQ LRNGPLPVTDLAEAIGMEQS AVSHQLRVLRNLGLVVGDRA GRSIVYSLYDTHVAQLLDEA IYHSEHLHLGLSDRHPSAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 HIS 3 4 GLY 4 5 VAL 5 6 GLU 6 7 GLY 7 8 ARG 8 9 ASN 9 10 ARG 10 11 PRO 11 12 SER 12 13 ALA 13 14 PRO 14 15 LEU 15 16 ASP 16 17 SER 17 18 GLN 18 19 ALA 19 20 ALA 20 21 ALA 21 22 GLN 22 23 VAL 23 24 ALA 24 25 SER 25 26 THR 26 27 LEU 27 28 GLN 28 29 ALA 29 30 LEU 30 31 ALA 31 32 THR 32 33 PRO 33 34 SER 34 35 ARG 35 36 LEU 36 37 MET 37 38 ILE 38 39 LEU 39 40 THR 40 41 GLN 41 42 LEU 42 43 ARG 43 44 ASN 44 45 GLY 45 46 PRO 46 47 LEU 47 48 PRO 48 49 VAL 49 50 THR 50 51 ASP 51 52 LEU 52 53 ALA 53 54 GLU 54 55 ALA 55 56 ILE 56 57 GLY 57 58 MET 58 59 GLU 59 60 GLN 60 61 SER 61 62 ALA 62 63 VAL 63 64 SER 64 65 HIS 65 66 GLN 66 67 LEU 67 68 ARG 68 69 VAL 69 70 LEU 70 71 ARG 71 72 ASN 72 73 LEU 73 74 GLY 74 75 LEU 75 76 VAL 76 77 VAL 77 78 GLY 78 79 ASP 79 80 ARG 80 81 ALA 81 82 GLY 82 83 ARG 83 84 SER 84 85 ILE 85 86 VAL 86 87 TYR 87 88 SER 88 89 LEU 89 90 TYR 90 91 ASP 91 92 THR 92 93 HIS 93 94 VAL 94 95 ALA 95 96 GLN 96 97 LEU 97 98 LEU 98 99 ASP 99 100 GLU 100 101 ALA 101 102 ILE 102 103 TYR 103 104 HIS 104 105 SER 105 106 GLU 106 107 HIS 107 108 LEU 108 109 HIS 109 110 LEU 110 111 GLY 111 112 LEU 112 113 SER 113 114 ASP 114 115 ARG 115 116 HIS 116 117 PRO 117 118 SER 118 119 ALA 119 120 GLY 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 BMRB 18003 entity 100.00 119 100.00 100.00 8.08e-77 PDB 2LKP "Solution Structure Of Apo-Nmtr" 100.00 119 100.00 100.00 8.08e-77 DBJ BAH28075 "transcriptional regulatory protein [Mycobacterium bovis BCG str. Tokyo 172]" 100.00 120 100.00 100.00 7.08e-77 DBJ BAL67871 "transcriptional regulator [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 100.00 120 100.00 100.00 7.08e-77 DBJ BAQ07970 "transcriptional regulator [Mycobacterium tuberculosis str. Kurono]" 100.00 120 100.00 100.00 7.08e-77 DBJ GAA43630 "ArsR-family transcriptional regulatory protein [Mycobacterium tuberculosis NCGM2209]" 89.08 106 99.06 100.00 4.66e-66 EMBL CAL73793 "Transcriptional regulatory protein (probably arsR-family) [Mycobacterium bovis BCG str. Pasteur 1173P2]" 100.00 120 100.00 100.00 7.08e-77 EMBL CCC28822 "transcriptional regulatory protein (probably ArsR-family) [Mycobacterium africanum GM041182]" 100.00 120 100.00 100.00 7.08e-77 EMBL CCC46095 "transcriptional regulatory protein (probably ARSR-family) [Mycobacterium canettii CIPT 140010059]" 100.00 120 100.00 100.00 7.08e-77 EMBL CCC66360 "Transcriptional regulatory protein (probably arsR-family) [Mycobacterium bovis BCG str. Moreau RDJ]" 100.00 120 100.00 100.00 7.08e-77 EMBL CCE39167 "unnamed protein product [Mycobacterium tuberculosis UT205]" 100.00 120 100.00 100.00 7.08e-77 GB AAK48216 "transcriptional regulator, ArsR family [Mycobacterium tuberculosis CDC1551]" 100.00 135 100.00 100.00 3.61e-77 GB ABQ75571 "ArsR family transcriptional regulator [Mycobacterium tuberculosis H37Ra]" 100.00 120 100.00 100.00 7.08e-77 GB ABR08101 "transcriptional regulatory protein, arsR-family [Mycobacterium tuberculosis F11]" 100.00 135 100.00 100.00 3.61e-77 GB ACT26897 "transcriptional regulator, arsR-family [Mycobacterium tuberculosis KZN 1435]" 100.00 135 100.00 100.00 3.61e-77 GB AEB05941 "transcriptional regulator, arsR-family [Mycobacterium tuberculosis KZN 4207]" 100.00 135 100.00 100.00 3.61e-77 REF NP_218261 "HTH-type transcriptional regulator NmtR [Mycobacterium tuberculosis H37Rv]" 100.00 120 100.00 100.00 7.08e-77 REF NP_857407 "transcriptional regulatory protein ArsR-family [Mycobacterium bovis AF2122/97]" 100.00 120 100.00 100.00 7.08e-77 REF WP_003901716 "MULTISPECIES: transcriptional regulator [Mycobacterium tuberculosis complex]" 100.00 120 100.00 100.00 7.08e-77 REF WP_003906203 "ArsR family transcriptional regulator [Mycobacterium tuberculosis]" 100.00 120 99.16 99.16 4.06e-76 REF WP_031667682 "ArsR family transcriptional regulator [Mycobacterium africanum]" 100.00 120 99.16 99.16 2.02e-75 SP O69711 "RecName: Full=HTH-type transcriptional regulator NmtR" 100.00 120 100.00 100.00 7.08e-77 stop_ save_ ############# # Ligands # ############# save_NI _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_NI (NICKEL (II) ION)" _BMRB_code NI _PDB_code NI _Molecular_mass 58.693 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons NI NI NI . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_NmtR 'High GC Gram+' 1773 Bacteria . Mycobacterium tuberculosis 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 $entity_NmtR 'recombinant technology' . Escherichia coli . pET 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 $entity_NmtR 0.5-1 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_NmtR 0.5-1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_xplor-nih _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 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 800 _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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.1 . M pH 7.0 . pH pressure 1 . atm temperature 310 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NmtR, chain 1' _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 13 12 ALA H H 8.1058 . 1 2 13 12 ALA CA C 50.6531 . 1 3 13 12 ALA N N 126.6263 . 1 4 15 14 LEU H H 8.0218 . 1 5 15 14 LEU CA C 55.4258 . 1 6 15 14 LEU N N 121.8485 . 1 7 16 15 ASP H H 7.8034 . 1 8 16 15 ASP CA C 52.5720 . 1 9 16 15 ASP N N 121.4814 . 1 10 17 16 SER H H 8.6726 . 1 11 17 16 SER CA C 62.7078 . 1 12 17 16 SER N N 114.3404 . 1 13 18 17 GLN H H 8.1400 . 1 14 18 17 GLN CA C 59.0176 . 1 15 18 17 GLN N N 122.4026 . 1 16 19 18 ALA H H 8.4844 . 1 17 19 18 ALA CA C 55.0813 . 1 18 19 18 ALA N N 124.7691 . 1 19 20 19 ALA H H 8.9711 . 1 20 20 19 ALA CA C 55.2289 . 1 21 20 19 ALA N N 119.0343 . 1 22 21 20 ALA H H 7.7142 . 1 23 21 20 ALA CA C 55.4750 . 1 24 21 20 ALA N N 119.1734 . 1 25 22 21 GLN H H 7.6127 . 1 26 22 21 GLN CA C 58.9191 . 1 27 22 21 GLN N N 119.0038 . 1 28 23 22 VAL H H 8.4053 . 1 29 23 22 VAL CA C 66.5456 . 1 30 23 22 VAL N N 121.5352 . 1 31 24 23 ALA H H 8.5420 . 1 32 24 23 ALA CA C 56.1638 . 1 33 24 23 ALA N N 121.5297 . 1 34 25 24 SER H H 7.7587 . 1 35 25 24 SER CA C 62.0189 . 1 36 25 24 SER N N 111.9819 . 1 37 26 25 THR H H 7.6387 . 1 38 26 25 THR CA C 67.0376 . 1 39 26 25 THR N N 119.7518 . 1 40 27 26 LEU H H 8.0056 . 1 41 27 26 LEU CA C 58.0827 . 1 42 27 26 LEU N N 119.2698 . 1 43 28 27 GLN H H 8.4457 . 1 44 28 27 GLN CA C 58.8699 . 1 45 28 27 GLN N N 116.0178 . 1 46 29 28 ALA H H 7.4088 . 1 47 29 28 ALA CA C 54.1456 . 1 48 29 28 ALA N N 118.9847 . 1 49 30 29 LEU H H 7.3540 . 1 50 30 29 LEU CA C 55.8686 . 1 51 30 29 LEU N N 113.0808 . 1 52 31 30 ALA H H 7.1048 . 1 53 31 30 ALA CA C 52.3260 . 1 54 31 30 ALA N N 119.5464 . 1 55 32 31 THR H H 8.4821 . 1 56 32 31 THR CA C 58.5255 . 1 57 32 31 THR N N 114.9399 . 1 58 35 34 ARG H H 7.3411 . 1 59 35 34 ARG CA C 60.6904 . 1 60 35 34 ARG N N 120.0127 . 1 61 36 35 LEU H H 8.2036 . 1 62 36 35 LEU CA C 58.1319 . 1 63 36 35 LEU N N 118.6129 . 1 64 37 36 MET H H 8.3550 . 1 65 37 36 MET CA C 60.5428 . 1 66 37 36 MET N N 121.0726 . 1 67 38 37 ILE H H 7.6639 . 1 68 38 37 ILE CA C 66.0043 . 1 69 38 37 ILE N N 117.9963 . 1 70 39 38 LEU H H 8.6173 . 1 71 39 38 LEU CA C 58.2795 . 1 72 39 38 LEU N N 116.2105 . 1 73 40 39 THR H H 8.1631 . 1 74 40 39 THR CA C 65.4631 . 1 75 40 39 THR N N 106.1878 . 1 76 41 40 GLN H H 7.4862 . 1 77 41 40 GLN CA C 58.2795 . 1 78 41 40 GLN N N 122.1164 . 1 79 42 41 LEU H H 7.5268 . 1 80 42 41 LEU CA C 55.6226 . 1 81 42 41 LEU N N 116.7186 . 1 82 43 42 ARG H H 7.5630 . 1 83 43 42 ARG N N 119.9434 . 1 84 44 43 ASN H H 7.6703 . 1 85 44 43 ASN CA C 54.0973 . 1 86 44 43 ASN N N 114.9870 . 1 87 45 44 GLY H H 7.3616 . 1 88 45 44 GLY CA C 44.5028 . 1 89 45 44 GLY N N 109.0510 . 1 90 47 46 LEU H H 8.1739 . 1 91 47 46 LEU CA C 52.6704 . 1 92 47 46 LEU N N 120.4405 . 1 93 49 48 VAL H H 9.0045 . 1 94 49 48 VAL CA C 67.0376 . 1 95 49 48 VAL N N 119.3200 . 1 96 50 49 THR H H 7.8526 . 1 97 50 49 THR CA C 65.3647 . 1 98 50 49 THR N N 111.0490 . 1 99 51 50 ASP H H 7.1092 . 1 100 51 50 ASP CA C 57.0002 . 1 101 51 50 ASP N N 120.2607 . 1 102 52 51 LEU H H 7.9016 . 1 103 52 51 LEU CA C 58.6239 . 1 104 52 51 LEU N N 121.1463 . 1 105 53 52 ALA H H 8.5000 . 1 106 53 52 ALA CA C 56.1638 . 1 107 53 52 ALA N N 119.3525 . 1 108 54 53 GLU H H 7.7084 . 1 109 54 53 GLU CA C 58.8207 . 1 110 54 53 GLU N N 115.7078 . 1 111 55 54 ALA H H 7.8948 . 1 112 55 54 ALA CA C 54.9337 . 1 113 55 54 ALA N N 120.2562 . 1 114 56 55 ILE H H 7.4969 . 1 115 56 55 ILE CA C 60.8381 . 1 116 56 55 ILE N N 107.2583 . 1 117 57 56 GLY H H 7.7687 . 1 118 57 56 GLY CA C 47.3073 . 1 119 57 56 GLY N N 111.2161 . 1 120 58 57 MET H H 7.6472 . 1 121 58 57 MET CA C 54.3433 . 1 122 58 57 MET N N 118.1500 . 1 123 59 58 GLU H H 8.5291 . 1 124 59 58 GLU CA C 56.7542 . 1 125 59 58 GLU N N 121.7413 . 1 126 62 61 ALA H H 7.0797 . 1 127 62 61 ALA CA C 54.7861 . 1 128 62 61 ALA N N 126.0576 . 1 129 63 62 VAL H H 7.9368 . 1 130 63 62 VAL CA C 66.8900 . 1 131 63 62 VAL N N 119.2554 . 1 132 64 63 SER H H 8.7316 . 1 133 64 63 SER CA C 62.7078 . 1 134 64 63 SER N N 115.3449 . 1 135 65 64 HIS H H 7.7670 . 1 136 65 64 HIS CA C 60.1492 . 1 137 65 64 HIS N N 120.1999 . 1 138 66 65 GLN H H 7.7351 . 1 139 66 65 GLN CA C 58.2303 . 1 140 66 65 GLN N N 115.5262 . 1 141 67 66 LEU H H 8.5680 . 1 142 67 66 LEU CA C 58.1811 . 1 143 67 66 LEU N N 118.6807 . 1 144 68 67 ARG H H 7.6025 . 1 145 68 67 ARG CA C 60.0016 . 1 146 68 67 ARG N N 119.6432 . 1 147 69 68 VAL H H 7.2930 . 1 148 69 68 VAL CA C 66.4472 . 1 149 69 68 VAL N N 119.9421 . 1 150 70 69 LEU H H 8.4448 . 1 151 70 69 LEU CA C 58.2795 . 1 152 70 69 LEU N N 117.8139 . 1 153 71 70 ARG H H 8.7592 . 1 154 71 70 ARG CA C 58.9191 . 1 155 71 70 ARG N N 122.6517 . 1 156 72 71 ASN H H 8.1034 . 1 157 72 71 ASN CA C 56.1146 . 1 158 72 71 ASN N N 121.8074 . 1 159 73 72 LEU H H 7.8392 . 1 160 73 72 LEU CA C 54.9829 . 1 161 73 72 LEU N N 116.8588 . 1 162 74 73 GLY H H 7.7939 . 1 163 74 73 GLY N N 108.2480 . 1 164 75 74 LEU H H 7.8323 . 1 165 75 74 LEU N N 113.9104 . 1 166 76 75 VAL H H 7.1175 . 1 167 76 75 VAL CA C 58.1811 . 1 168 76 75 VAL N N 110.7360 . 1 169 77 76 VAL H H 9.0344 . 1 170 77 76 VAL CA C 60.3460 . 1 171 77 76 VAL N N 117.8174 . 1 172 78 77 GLY H H 8.2073 . 1 173 78 77 GLY CA C 44.6504 . 1 174 78 77 GLY N N 109.2635 . 1 175 79 78 ASP H H 8.4392 . 1 176 79 78 ASP CA C 53.2116 . 1 177 79 78 ASP N N 122.6370 . 1 178 80 79 ARG H H 8.5622 . 1 179 80 79 ARG N N 122.6230 . 1 180 81 80 ALA H H 8.3770 . 1 181 81 80 ALA CA C 51.8340 . 1 182 81 80 ALA N N 129.0459 . 1 183 84 83 SER H H 7.8158 . 1 184 84 83 SER CA C 57.3447 . 1 185 84 83 SER N N 114.7307 . 1 186 85 84 ILE H H 8.2512 . 1 187 85 84 ILE CA C 60.6412 . 1 188 85 84 ILE N N 123.0506 . 1 189 86 85 VAL H H 8.4591 . 1 190 86 85 VAL CA C 60.1000 . 1 191 86 85 VAL N N 121.9428 . 1 192 87 86 TYR H H 8.4333 . 1 193 87 86 TYR CA C 57.6399 . 1 194 87 86 TYR N N 124.7898 . 1 195 88 87 SER H H 8.6588 . 1 196 88 87 SER CA C 56.2622 . 1 197 88 87 SER N N 110.8055 . 1 198 89 88 LEU H H 9.0178 . 1 199 89 88 LEU CA C 55.4258 . 1 200 89 88 LEU N N 120.1285 . 1 201 90 89 TYR H H 8.0455 . 1 202 90 89 TYR CA C 61.7729 . 1 203 90 89 TYR N N 120.3488 . 1 204 95 94 ALA H H 6.5450 . 1 205 95 94 ALA N N 117.8125 . 1 206 98 97 LEU H H 7.3742 . 1 207 98 97 LEU N N 118.3844 . 1 208 99 98 ASP H H 7.8684 . 1 209 99 98 ASP N N 118.7071 . 1 210 100 99 GLU H H 8.4736 . 1 211 100 99 GLU N N 117.7837 . 1 212 111 110 GLY H H 7.8928 . 1 213 111 110 GLY N N 110.1782 . 1 214 112 111 LEU H H 7.9680 . 1 215 112 111 LEU N N 121.1310 . 1 216 113 112 SER H H 8.1058 . 1 217 113 112 SER N N 115.8524 . 1 218 114 113 ASP H H 8.1952 . 1 219 114 113 ASP CA C 54.1465 . 1 220 114 113 ASP N N 121.8208 . 1 221 115 114 ARG H H 8.0109 . 1 222 115 114 ARG CA C 55.4750 . 1 223 115 114 ARG N N 120.1921 . 1 224 118 117 SER H H 8.5812 . 1 225 118 117 SER N N 116.5143 . 1 226 119 118 ALA H H 8.2909 . 1 227 119 118 ALA CA C 52.6212 . 1 228 119 118 ALA N N 126.3175 . 1 229 120 119 GLY H H 7.8877 . 1 230 120 119 GLY CA C 46.5693 . 1 231 120 119 GLY N N 114.2952 . 1 stop_ save_