data_10140 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone NMR assignments of of RimM complexed with rS19 ; _BMRB_accession_number 10140 _BMRB_flat_file_name bmr10140.str _Entry_type original _Submission_date 2007-06-13 _Accession_date 2007-06-15 _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 Suzuki S. . . 2 Tatsuguchi A. . . 3 Matsumoto E. . . 4 Kawazoe M. . . 5 Kaminishi T. . . 6 Shirouzu M. . . 7 Muto Y. . . 8 Takemoto C. . . 9 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 141 "13C chemical shifts" 156 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-12 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 10138 'N-terminal construct of RimM (residues 1-85)' 10139 'full-length RimM (residues 1-162) in free state' stop_ _Original_release_date 2008-06-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of the ribosome maturation protein, RimM' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17616598 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Suzuki S. . . 2 Tatsuguchi A. . . 3 Matsumoto E. . . 4 Kawazoe M. . . 5 Kaminishi T. . . 6 Shirouzu M. . . 7 Muto Y. . . 8 Takemoto C. . . 9 Yokoyama S. . . stop_ _Journal_abbreviation 'J. Bacteriol.' _Journal_volume 189 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last 6397 _Year 6406 _Details 2007 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RimM complexed to S19' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RimM $entity_1 rS19 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein-protein complex' _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'RimM complexed to ribosomal protein S19 from T. thermophilus' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RimM _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; MRLVEIGRFGAPYALKGGLR FRGEPVVLHLERVYVEGHGW RAIEDLYRVGEELVVHLAGV TDRTLAEALVGLRVYAEVAD LPPLEEGRYYYFALIGLPVY VEGRQVGEVVDILDAGAQDV LIIRGVGERLRDRAERLVPL QAPYVRVEEGSIHVDPIPGL FD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 LEU 4 VAL 5 GLU 6 ILE 7 GLY 8 ARG 9 PHE 10 GLY 11 ALA 12 PRO 13 TYR 14 ALA 15 LEU 16 LYS 17 GLY 18 GLY 19 LEU 20 ARG 21 PHE 22 ARG 23 GLY 24 GLU 25 PRO 26 VAL 27 VAL 28 LEU 29 HIS 30 LEU 31 GLU 32 ARG 33 VAL 34 TYR 35 VAL 36 GLU 37 GLY 38 HIS 39 GLY 40 TRP 41 ARG 42 ALA 43 ILE 44 GLU 45 ASP 46 LEU 47 TYR 48 ARG 49 VAL 50 GLY 51 GLU 52 GLU 53 LEU 54 VAL 55 VAL 56 HIS 57 LEU 58 ALA 59 GLY 60 VAL 61 THR 62 ASP 63 ARG 64 THR 65 LEU 66 ALA 67 GLU 68 ALA 69 LEU 70 VAL 71 GLY 72 LEU 73 ARG 74 VAL 75 TYR 76 ALA 77 GLU 78 VAL 79 ALA 80 ASP 81 LEU 82 PRO 83 PRO 84 LEU 85 GLU 86 GLU 87 GLY 88 ARG 89 TYR 90 TYR 91 TYR 92 PHE 93 ALA 94 LEU 95 ILE 96 GLY 97 LEU 98 PRO 99 VAL 100 TYR 101 VAL 102 GLU 103 GLY 104 ARG 105 GLN 106 VAL 107 GLY 108 GLU 109 VAL 110 VAL 111 ASP 112 ILE 113 LEU 114 ASP 115 ALA 116 GLY 117 ALA 118 GLN 119 ASP 120 VAL 121 LEU 122 ILE 123 ILE 124 ARG 125 GLY 126 VAL 127 GLY 128 GLU 129 ARG 130 LEU 131 ARG 132 ASP 133 ARG 134 ALA 135 GLU 136 ARG 137 LEU 138 VAL 139 PRO 140 LEU 141 GLN 142 ALA 143 PRO 144 TYR 145 VAL 146 ARG 147 VAL 148 GLU 149 GLU 150 GLY 151 SER 152 ILE 153 HIS 154 VAL 155 ASP 156 PRO 157 ILE 158 PRO 159 GLY 160 LEU 161 PHE 162 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 10138 "RIEF fold" 52.47 85 100.00 100.00 2.78e-48 BMRB 10139 RimM 100.00 162 100.00 100.00 1.44e-103 PDB 2DOG "Solution Structure Of The N-Terminal Domain Of Rimm From Thermus Thermophilus Hb8" 52.47 85 100.00 100.00 2.78e-48 PDB 2DYI "Crystal Structure Of 16s Ribosomal Rna Processing Protein Rimm From Thermus Thermophilus Hb8" 100.00 162 100.00 100.00 1.44e-103 PDB 3A1P "Structure Of Ribosome Maturation Protein Rimm And Ribosomal Protein S19" 100.00 162 100.00 100.00 1.44e-103 DBJ BAD70856 "16S rRNA processing protein RimM [Thermus thermophilus HB8]" 100.00 162 100.00 100.00 1.44e-103 GB AAS81019 "16S rRNA processing protein rimM [Thermus thermophilus HB27]" 100.00 162 99.38 99.38 1.30e-102 GB AEG33454 "16S rRNA processing protein RimM [Thermus thermophilus SG0.5JP17-16]" 100.00 162 99.38 99.38 1.30e-102 GB AFH38925 "16S rRNA processing protein RimM [Thermus thermophilus JL-18]" 100.00 162 99.38 99.38 1.30e-102 GB EIA39096 "16S rRNA-processing protein RimM [Thermus sp. RL]" 100.00 162 99.38 99.38 1.30e-102 REF WP_008632437 "MULTISPECIES: ribosome maturation factor RimM [Thermus]" 100.00 162 99.38 99.38 1.30e-102 REF WP_011228392 "ribosome maturation factor RimM [Thermus thermophilus]" 100.00 162 100.00 100.00 1.44e-103 REF YP_144299 "16S rRNA-processing protein RimM [Thermus thermophilus HB8]" 100.00 162 100.00 100.00 1.44e-103 SP Q5SJH5 "RecName: Full=Ribosome maturation factor RimM" 100.00 162 100.00 100.00 1.44e-103 SP Q72JU7 "RecName: Full=Ribosome maturation factor RimM" 100.00 162 99.38 99.38 1.30e-102 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rS19 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 93 _Mol_residue_sequence ; MPRSLKKGVFVDDHLLEKVL ELNAKGEKRLIKTWSRRSTI VPEMVGHTIAVYNGKQHVPV YITENMVGHKLGEFAPTRTY RGHGKEAKATKKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 ARG 4 SER 5 LEU 6 LYS 7 LYS 8 GLY 9 VAL 10 PHE 11 VAL 12 ASP 13 ASP 14 HIS 15 LEU 16 LEU 17 GLU 18 LYS 19 VAL 20 LEU 21 GLU 22 LEU 23 ASN 24 ALA 25 LYS 26 GLY 27 GLU 28 LYS 29 ARG 30 LEU 31 ILE 32 LYS 33 THR 34 TRP 35 SER 36 ARG 37 ARG 38 SER 39 THR 40 ILE 41 VAL 42 PRO 43 GLU 44 MET 45 VAL 46 GLY 47 HIS 48 THR 49 ILE 50 ALA 51 VAL 52 TYR 53 ASN 54 GLY 55 LYS 56 GLN 57 HIS 58 VAL 59 PRO 60 VAL 61 TYR 62 ILE 63 THR 64 GLU 65 ASN 66 MET 67 VAL 68 GLY 69 HIS 70 LYS 71 LEU 72 GLY 73 GLU 74 PHE 75 ALA 76 PRO 77 THR 78 ARG 79 THR 80 TYR 81 ARG 82 GLY 83 HIS 84 GLY 85 LYS 86 GLU 87 ALA 88 LYS 89 ALA 90 THR 91 LYS 92 LYS 93 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_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_1 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus $entity_2 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' 'E. coli' Escherichia coli . plasmid PC011033-04 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_1 0.03 mM '[U-13C; U-15N]' $entity_2 0.03 mM . HEPES 20 mM . D2O 10 % . H2O 90 % . NaCl 300 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name Olivia _Version 1.10.5 loop_ _Vendor _Address _Electronic_address 'Yokochi, M.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address 'Goddard, T.D.' . . 'Kneller, D.G.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 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_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 320 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 318 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name RimM _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 2 2 ARG CA C 56.462 0.300 1 2 3 3 LEU H H 8.262 0.030 1 3 3 3 LEU CA C 53.391 0.300 1 4 3 3 LEU N N 125.016 0.300 1 5 4 4 VAL H H 9.095 0.030 1 6 4 4 VAL CA C 59.303 0.300 1 7 4 4 VAL N N 118.528 0.300 1 8 5 5 GLU H H 9.366 0.030 1 9 5 5 GLU CA C 57.345 0.300 1 10 5 5 GLU N N 129.549 0.300 1 11 6 6 ILE CA C 61.104 0.300 1 12 7 7 GLY H H 7.523 0.030 1 13 7 7 GLY CA C 46.924 0.300 1 14 7 7 GLY N N 108.219 0.300 1 15 8 8 ARG H H 8.335 0.030 1 16 8 8 ARG CA C 54.510 0.300 1 17 8 8 ARG N N 119.201 0.300 1 18 9 9 PHE H H 8.192 0.030 1 19 9 9 PHE CA C 58.573 0.300 1 20 9 9 PHE N N 121.108 0.300 1 21 10 10 GLY H H 9.127 0.030 1 22 10 10 GLY CA C 43.717 0.300 1 23 10 10 GLY N N 114.078 0.300 1 24 11 11 ALA H H 7.865 0.030 1 25 11 11 ALA CA C 50.972 0.300 1 26 11 11 ALA N N 119.135 0.300 1 27 12 12 PRO CA C 62.489 0.300 1 28 13 13 TYR H H 8.466 0.030 1 29 13 13 TYR CA C 56.406 0.300 1 30 13 13 TYR N N 123.921 0.300 1 31 14 14 ALA H H 8.423 0.030 1 32 14 14 ALA CA C 52.879 0.300 1 33 14 14 ALA N N 129.547 0.300 1 34 15 15 LEU H H 8.107 0.030 1 35 15 15 LEU CA C 56.217 0.300 1 36 15 15 LEU N N 118.761 0.300 1 37 16 16 LYS H H 8.445 0.030 1 38 16 16 LYS CA C 56.065 0.300 1 39 16 16 LYS N N 120.625 0.300 1 40 17 17 GLY H H 7.656 0.030 1 41 17 17 GLY CA C 44.952 0.300 1 42 17 17 GLY N N 105.877 0.300 1 43 18 18 GLY H H 8.018 0.030 1 44 18 18 GLY CA C 45.369 0.300 1 45 18 18 GLY N N 108.219 0.300 1 46 19 19 LEU H H 8.334 0.030 1 47 19 19 LEU CA C 54.207 0.300 1 48 19 19 LEU N N 124.862 0.300 1 49 20 20 ARG H H 7.612 0.030 1 50 20 20 ARG CA C 57.089 0.300 1 51 20 20 ARG N N 120.172 0.300 1 52 21 21 PHE H H 9.070 0.030 1 53 21 21 PHE CA C 57.582 0.300 1 54 21 21 PHE N N 124.394 0.300 1 55 22 22 ARG H H 7.783 0.030 1 56 22 22 ARG CA C 53.600 0.300 1 57 22 22 ARG N N 129.079 0.300 1 58 23 23 GLY H H 7.724 0.030 1 59 23 23 GLY CA C 45.900 0.300 1 60 23 23 GLY N N 109.627 0.300 1 61 24 24 GLU H H 8.364 0.030 1 62 24 24 GLU CA C 54.320 0.300 1 63 24 24 GLU N N 120.399 0.300 1 64 25 25 PRO CA C 64.524 0.300 1 65 26 26 VAL H H 6.895 0.030 1 66 26 26 VAL CA C 63.841 0.300 1 67 26 26 VAL N N 117.400 0.300 1 68 27 27 VAL H H 6.877 0.030 1 69 27 27 VAL CA C 63.575 0.300 1 70 27 27 VAL N N 118.767 0.300 1 71 28 28 LEU H H 7.250 0.030 1 72 28 28 LEU CA C 57.013 0.300 1 73 28 28 LEU N N 118.064 0.300 1 74 29 29 HIS H H 7.692 0.030 1 75 29 29 HIS CA C 55.307 0.300 1 76 29 29 HIS N N 115.017 0.300 1 77 30 30 LEU H H 7.127 0.030 1 78 30 30 LEU CA C 53.903 0.300 1 79 30 30 LEU N N 118.767 0.300 1 80 31 31 GLU H H 8.864 0.030 1 81 31 31 GLU CA C 56.444 0.300 1 82 31 31 GLU N N 116.651 0.300 1 83 32 32 ARG H H 7.801 0.030 1 84 32 32 ARG CA C 54.776 0.300 1 85 32 32 ARG N N 116.656 0.300 1 86 33 33 VAL H H 8.762 0.030 1 87 33 33 VAL CA C 59.100 0.300 1 88 33 33 VAL N N 111.031 0.300 1 89 34 34 TYR H H 9.074 0.030 1 90 34 34 TYR CA C 56.293 0.300 1 91 34 34 TYR N N 125.071 0.300 1 92 35 35 VAL H H 8.235 0.030 1 93 35 35 VAL CA C 61.641 0.300 1 94 35 35 VAL N N 129.079 0.300 1 95 36 36 GLU H H 8.752 0.030 1 96 36 36 GLU CA C 58.265 0.300 1 97 36 36 GLU N N 130.017 0.300 1 98 37 37 GLY CA C 46.053 0.300 1 99 38 38 HIS H H 8.319 0.030 1 100 38 38 HIS CA C 57.886 0.300 1 101 38 38 HIS N N 118.310 0.300 1 102 39 39 GLY H H 7.767 0.030 1 103 39 39 GLY CA C 43.472 0.300 1 104 39 39 GLY N N 107.288 0.300 1 105 40 40 TRP H H 8.176 0.030 1 106 40 40 TRP CA C 57.848 0.300 1 107 40 40 TRP N N 120.172 0.300 1 108 41 41 ARG H H 9.838 0.030 1 109 41 41 ARG CA C 53.562 0.300 1 110 41 41 ARG N N 122.749 0.300 1 111 42 42 ALA H H 8.489 0.030 1 112 42 42 ALA CA C 51.855 0.300 1 113 42 42 ALA N N 124.393 0.300 1 114 43 43 ILE H H 7.916 0.030 1 115 43 43 ILE CA C 62.020 0.300 1 116 43 43 ILE N N 121.111 0.300 1 117 44 44 GLU H H 9.073 0.030 1 118 44 44 GLU CA C 57.089 0.300 1 119 44 44 GLU N N 128.846 0.300 1 120 45 45 ASP H H 7.846 0.030 1 121 45 45 ASP CA C 53.751 0.300 1 122 45 45 ASP N N 115.958 0.300 1 123 46 46 LEU H H 8.376 0.030 1 124 46 46 LEU CA C 55.420 0.300 1 125 46 46 LEU N N 123.219 0.300 1 126 47 47 TYR H H 8.253 0.030 1 127 47 47 TYR CA C 56.065 0.300 1 128 47 47 TYR N N 119.468 0.300 1 129 48 48 ARG H H 8.481 0.030 1 130 48 48 ARG CA C 55.117 0.300 1 131 48 48 ARG N N 118.765 0.300 1 132 49 49 VAL H H 8.606 0.030 1 133 49 49 VAL CA C 61.868 0.300 1 134 49 49 VAL N N 124.858 0.300 1 135 51 51 GLU CA C 56.520 0.300 1 136 52 52 GLU H H 7.992 0.030 1 137 52 52 GLU CA C 55.913 0.300 1 138 52 52 GLU N N 119.471 0.300 1 139 53 53 LEU H H 8.644 0.030 1 140 53 53 LEU CA C 54.510 0.300 1 141 53 53 LEU N N 123.458 0.300 1 142 54 54 VAL H H 8.725 0.030 1 143 54 54 VAL CA C 61.337 0.300 1 144 54 54 VAL N N 124.625 0.300 1 145 55 55 VAL H H 8.828 0.030 1 146 55 55 VAL CA C 59.744 0.300 1 147 55 55 VAL N N 122.749 0.300 1 148 56 56 HIS H H 8.800 0.030 1 149 56 56 HIS CA C 54.510 0.300 1 150 56 56 HIS N N 125.096 0.300 1 151 57 57 LEU H H 9.630 0.030 1 152 57 57 LEU CA C 52.272 0.300 1 153 57 57 LEU N N 124.861 0.300 1 154 58 58 ALA H H 8.803 0.030 1 155 58 58 ALA CA C 53.751 0.300 1 156 58 58 ALA N N 126.501 0.300 1 157 59 59 GLY H H 8.987 0.030 1 158 59 59 GLY CA C 45.255 0.300 1 159 59 59 GLY N N 109.627 0.300 1 160 60 60 VAL H H 7.910 0.030 1 161 60 60 VAL CA C 62.324 0.300 1 162 60 60 VAL N N 124.625 0.300 1 163 61 61 THR H H 6.725 0.030 1 164 61 61 THR CA C 61.679 0.300 1 165 61 61 THR N N 109.626 0.300 1 166 62 62 ASP H H 7.412 0.030 1 167 62 62 ASP CA C 53.296 0.300 1 168 62 62 ASP N N 115.484 0.300 1 169 63 63 ARG H H 7.871 0.030 1 170 63 63 ARG CA C 58.910 0.300 1 171 63 63 ARG N N 119.468 0.300 1 172 64 64 THR H H 8.157 0.030 1 173 64 64 THR CA C 66.344 0.300 1 174 64 64 THR N N 115.720 0.300 1 175 65 65 LEU H H 8.231 0.030 1 176 65 65 LEU CA C 57.355 0.300 1 177 65 65 LEU N N 122.749 0.300 1 178 66 66 ALA H H 7.541 0.030 1 179 66 66 ALA CA C 55.079 0.300 1 180 66 66 ALA N N 121.576 0.300 1 181 67 67 GLU H H 8.282 0.030 1 182 67 67 GLU CA C 59.251 0.300 1 183 67 67 GLU N N 116.657 0.300 1 184 68 68 ALA H H 6.907 0.030 1 185 68 68 ALA CA C 53.827 0.300 1 186 68 68 ALA N N 117.591 0.300 1 187 69 69 LEU H H 7.754 0.030 1 188 69 69 LEU CA C 54.169 0.300 1 189 69 69 LEU N N 117.347 0.300 1 190 70 70 VAL H H 6.799 0.030 1 191 70 70 VAL CA C 65.092 0.300 1 192 70 70 VAL N N 119.003 0.300 1 193 71 71 GLY H H 7.914 0.030 1 194 71 71 GLY CA C 45.293 0.300 1 195 71 71 GLY N N 114.540 0.300 1 196 72 72 LEU H H 7.796 0.030 1 197 72 72 LEU CA C 55.003 0.300 1 198 72 72 LEU N N 120.641 0.300 1 199 73 73 ARG H H 8.926 0.030 1 200 73 73 ARG CA C 57.393 0.300 1 201 73 73 ARG N N 118.995 0.300 1 202 74 74 VAL H H 7.930 0.030 1 203 74 74 VAL CA C 61.072 0.300 1 204 74 74 VAL N N 119.702 0.300 1 205 75 75 TYR H H 9.486 0.030 1 206 75 75 TYR CA C 55.989 0.300 1 207 75 75 TYR N N 124.164 0.300 1 208 76 76 ALA H H 9.069 0.030 1 209 76 76 ALA CA C 49.617 0.300 1 210 76 76 ALA N N 120.874 0.300 1 211 77 77 GLU H H 8.611 0.030 1 212 77 77 GLU CA C 55.989 0.300 1 213 77 77 GLU N N 122.986 0.300 1 214 78 78 VAL H H 8.373 0.030 1 215 78 78 VAL CA C 66.420 0.300 1 216 78 78 VAL N N 125.772 0.300 1 217 79 79 ALA H H 9.238 0.030 1 218 79 79 ALA CA C 53.903 0.300 1 219 79 79 ALA N N 121.339 0.300 1 220 80 80 ASP H H 7.928 0.030 1 221 80 80 ASP CA C 54.548 0.300 1 222 80 80 ASP N N 116.891 0.300 1 223 81 81 LEU H H 7.246 0.030 1 224 81 81 LEU CA C 53.638 0.300 1 225 81 81 LEU N N 119.186 0.300 1 226 83 83 PRO CA C 62.639 0.300 1 227 84 84 LEU H H 8.289 0.030 1 228 84 84 LEU CA C 52.955 0.300 1 229 84 84 LEU N N 122.524 0.300 1 230 85 85 GLU H H 8.387 0.030 1 231 85 85 GLU CA C 56.141 0.300 1 232 85 85 GLU N N 120.871 0.300 1 233 86 86 GLU H H 8.099 0.030 1 234 86 86 GLU CA C 58.000 0.300 1 235 86 86 GLU N N 120.408 0.300 1 236 87 87 GLY H H 8.435 0.030 1 237 87 87 GLY CA C 45.103 0.300 1 238 87 87 GLY N N 111.502 0.300 1 239 88 88 ARG H H 7.450 0.030 1 240 88 88 ARG CA C 55.382 0.300 1 241 88 88 ARG N N 118.532 0.300 1 242 89 89 TYR H H 8.343 0.030 1 243 89 89 TYR CA C 56.255 0.300 1 244 89 89 TYR N N 118.307 0.300 1 245 90 90 TYR H H 8.468 0.030 1 246 90 90 TYR CA C 59.365 0.300 1 247 90 90 TYR N N 121.343 0.300 1 248 91 91 TYR H H 9.797 0.030 1 249 91 91 TYR N N 124.389 0.300 1 250 92 92 PHE H H 8.780 0.030 1 251 92 92 PHE CA C 59.972 0.300 1 252 92 92 PHE N N 112.201 0.300 1 253 93 93 ALA H H 6.744 0.030 1 254 93 93 ALA CA C 52.955 0.300 1 255 93 93 ALA N N 122.281 0.300 1 256 94 94 LEU H H 7.170 0.030 1 257 94 94 LEU CA C 54.586 0.300 1 258 94 94 LEU N N 115.720 0.300 1 259 95 95 ILE H H 7.252 0.030 1 260 95 95 ILE CA C 64.372 0.300 1 261 95 95 ILE N N 119.012 0.300 1 262 96 96 GLY H H 8.919 0.030 1 263 96 96 GLY CA C 44.231 0.300 1 264 96 96 GLY N N 116.191 0.300 1 265 97 97 LEU H H 7.654 0.030 1 266 97 97 LEU CA C 53.296 0.300 1 267 97 97 LEU N N 120.385 0.300 1 268 98 98 PRO CA C 62.102 0.300 1 269 99 99 VAL H H 7.744 0.030 1 270 99 99 VAL CA C 60.086 0.300 1 271 99 99 VAL N N 118.990 0.300 1 272 100 100 TYR H H 9.239 0.030 1 273 100 100 TYR CA C 56.786 0.300 1 274 100 100 TYR N N 127.672 0.300 1 275 101 101 VAL H H 8.671 0.030 1 276 101 101 VAL CA C 61.641 0.300 1 277 101 101 VAL N N 119.719 0.300 1 278 102 102 GLU H H 9.700 0.030 1 279 102 102 GLU CA C 57.506 0.300 1 280 102 102 GLU N N 127.203 0.300 1 281 103 103 GLY H H 8.830 0.030 1 282 103 103 GLY CA C 45.748 0.300 1 283 103 103 GLY N N 103.298 0.300 1 284 104 104 ARG H H 8.013 0.030 1 285 104 104 ARG CA C 54.207 0.300 1 286 104 104 ARG N N 121.101 0.300 1 287 105 105 GLN H H 9.011 0.030 1 288 105 105 GLN CA C 56.710 0.300 1 289 105 105 GLN N N 126.015 0.300 1 290 106 106 VAL H H 8.765 0.030 1 291 106 106 VAL CA C 60.731 0.300 1 292 106 106 VAL N N 119.468 0.300 1 293 107 107 GLY H H 7.383 0.030 1 294 107 107 GLY CA C 46.469 0.300 1 295 107 107 GLY N N 107.283 0.300 1 296 108 108 GLU H H 8.656 0.030 1 297 108 108 GLU CA C 54.510 0.300 1 298 108 108 GLU N N 121.572 0.300 1 299 109 109 VAL H H 8.600 0.030 1 300 109 109 VAL CA C 63.841 0.300 1 301 109 109 VAL N N 123.452 0.300 1 302 110 110 VAL H H 9.274 0.030 1 303 110 110 VAL CA C 61.489 0.300 1 304 110 110 VAL N N 123.456 0.300 1 305 111 111 ASP H H 8.111 0.030 1 306 111 111 ASP CA C 52.879 0.300 1 307 111 111 ASP N N 118.734 0.300 1 308 112 112 ILE H H 8.683 0.030 1 309 112 112 ILE CA C 60.693 0.300 1 310 112 112 ILE N N 119.736 0.300 1 311 113 113 LEU H H 9.270 0.030 1 312 113 113 LEU CA C 53.069 0.300 1 313 113 113 LEU N N 127.452 0.300 1 314 114 114 ASP CA C 54.093 0.300 1 315 115 115 ALA H H 8.291 0.030 1 316 115 115 ALA CA C 51.362 0.300 1 317 115 115 ALA N N 131.189 0.300 1 318 116 116 GLY H H 8.547 0.030 1 319 116 116 GLY CA C 47.000 0.300 1 320 116 116 GLY N N 110.097 0.300 1 321 117 117 ALA H H 7.843 0.030 1 322 117 117 ALA CA C 52.917 0.300 1 323 117 117 ALA N N 124.393 0.300 1 324 118 118 GLN H H 7.627 0.030 1 325 118 118 GLN CA C 53.751 0.300 1 326 118 118 GLN N N 114.030 0.300 1 327 119 119 ASP H H 9.371 0.030 1 328 119 119 ASP CA C 53.258 0.300 1 329 119 119 ASP N N 120.409 0.300 1 330 120 120 VAL H H 9.587 0.030 1 331 120 120 VAL CA C 61.679 0.300 1 332 120 120 VAL N N 123.689 0.300 1 333 121 121 LEU CA C 55.307 0.300 1 334 122 122 ILE H H 8.366 0.030 1 335 122 122 ILE CA C 61.451 0.300 1 336 122 122 ILE N N 122.395 0.300 1 337 123 123 ILE H H 9.279 0.030 1 338 123 123 ILE CA C 59.555 0.300 1 339 123 123 ILE N N 128.607 0.300 1 340 124 124 ARG H H 8.652 0.030 1 341 124 124 ARG CA C 54.738 0.300 1 342 124 124 ARG N N 126.968 0.300 1 343 125 125 GLY H H 8.606 0.030 1 344 125 125 GLY CA C 45.710 0.300 1 345 125 125 GLY N N 112.546 0.300 1 346 126 126 VAL H H 7.491 0.030 1 347 126 126 VAL CA C 60.844 0.300 1 348 126 126 VAL N N 116.421 0.300 1 349 127 127 GLY H H 8.261 0.030 1 350 127 127 GLY CA C 45.217 0.300 1 351 127 127 GLY N N 111.037 0.300 1 352 128 128 GLU H H 8.422 0.030 1 353 128 128 GLU CA C 57.620 0.300 1 354 128 128 GLU N N 120.419 0.300 1 355 129 129 ARG H H 8.325 0.030 1 356 129 129 ARG CA C 56.558 0.300 1 357 129 129 ARG N N 119.233 0.300 1 358 130 130 LEU CA C 56.482 0.300 1 359 131 131 ARG H H 8.099 0.030 1 360 131 131 ARG CA C 57.469 0.300 1 361 131 131 ARG N N 118.395 0.300 1 362 132 132 ASP H H 7.908 0.030 1 363 132 132 ASP CA C 54.965 0.300 1 364 132 132 ASP N N 118.531 0.300 1 365 133 133 ARG H H 7.811 0.030 1 366 133 133 ARG CA C 55.875 0.300 1 367 133 133 ARG N N 118.765 0.300 1 368 134 134 ALA H H 7.827 0.030 1 369 134 134 ALA CA C 52.576 0.300 1 370 134 134 ALA N N 123.454 0.300 1 371 135 135 GLU H H 8.374 0.030 1 372 135 135 GLU CA C 56.369 0.300 1 373 135 135 GLU N N 120.174 0.300 1 374 136 136 ARG H H 8.961 0.030 1 375 136 136 ARG CA C 53.713 0.300 1 376 136 136 ARG N N 121.820 0.300 1 377 137 137 LEU H H 8.256 0.030 1 378 137 137 LEU CA C 54.472 0.300 1 379 137 137 LEU N N 123.218 0.300 1 380 139 139 PRO CA C 62.513 0.300 1 381 140 140 LEU H H 9.328 0.030 1 382 140 140 LEU CA C 57.620 0.300 1 383 140 140 LEU N N 126.740 0.300 1 384 141 141 GLN H H 7.578 0.030 1 385 141 141 GLN CA C 59.251 0.300 1 386 141 141 GLN N N 112.198 0.300 1 387 142 142 ALA H H 6.717 0.030 1 388 142 142 ALA CA C 49.731 0.300 1 389 142 142 ALA N N 121.579 0.300 1 390 143 143 PRO CA C 63.714 0.300 1 391 144 144 TYR H H 5.758 0.030 1 392 144 144 TYR CA C 55.041 0.300 1 393 144 144 TYR N N 111.032 0.300 1 394 145 145 VAL H H 7.088 0.030 1 395 145 145 VAL CA C 61.906 0.300 1 396 145 145 VAL N N 122.755 0.300 1 397 146 146 ARG H H 9.367 0.030 1 398 146 146 ARG CA C 54.889 0.300 1 399 146 146 ARG N N 127.558 0.300 1 400 147 147 VAL H H 8.755 0.030 1 401 147 147 VAL CA C 62.589 0.300 1 402 147 147 VAL N N 125.558 0.300 1 403 148 148 GLU H H 8.652 0.030 1 404 148 148 GLU CA C 54.472 0.300 1 405 148 148 GLU N N 127.905 0.300 1 406 149 149 GLU CA C 58.339 0.300 1 407 150 150 GLY H H 8.576 0.030 1 408 150 150 GLY CA C 45.938 0.300 1 409 150 150 GLY N N 111.270 0.300 1 410 151 151 SER H H 7.545 0.030 1 411 151 151 SER CA C 58.569 0.300 1 412 151 151 SER N N 110.568 0.300 1 413 152 152 ILE H H 8.424 0.030 1 414 152 152 ILE CA C 59.365 0.300 1 415 152 152 ILE N N 119.014 0.300 1 416 153 153 HIS H H 9.297 0.030 1 417 153 153 HIS CA C 55.003 0.300 1 418 153 153 HIS N N 127.205 0.300 1 419 154 154 VAL H H 8.879 0.030 1 420 154 154 VAL CA C 59.896 0.300 1 421 154 154 VAL N N 122.752 0.300 1 422 155 155 ASP H H 8.909 0.030 1 423 155 155 ASP CA C 51.627 0.300 1 424 155 155 ASP N N 130.012 0.300 1 425 156 156 PRO CA C 63.424 0.300 1 426 158 158 PRO CA C 64.903 0.300 1 427 159 159 GLY H H 8.909 0.030 1 428 159 159 GLY CA C 45.369 0.300 1 429 159 159 GLY N N 112.439 0.300 1 430 160 160 LEU H H 7.700 0.030 1 431 160 160 LEU CA C 57.734 0.300 1 432 160 160 LEU N N 120.881 0.300 1 433 161 161 PHE H H 8.785 0.030 1 434 161 161 PHE CA C 55.989 0.300 1 435 161 161 PHE N N 114.549 0.300 1 436 162 162 ASP H H 7.351 0.030 1 437 162 162 ASP CA C 55.959 0.300 1 438 162 162 ASP N N 125.333 0.300 1 stop_ save_