data_17592 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of Anabaena Sensory Rhodopsin Transducer with DNA ; _BMRB_accession_number 17592 _BMRB_flat_file_name bmr17592.str _Entry_type original _Submission_date 2011-04-13 _Accession_date 2011-04-13 _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 Wang Shenlin . . 2 Kim 'So Young' . . 3 Jung Kwang-Hwan . . 4 Ladizhansky Vladimir . . 5 Brown Leonid S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 93 "13C chemical shifts" 306 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-06-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17590 'Backbone assignments of Anabaena Sensory Rhodopsin Transducer with D-tails' 17591 'Backbone assignments of Anabaena Sensory Rhodopsin Transducer with F-tails' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A eukaryotic-like interaction of soluble cyanobacterial sensory rhodopsin transducer with DNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21683709 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Shenlin . . 2 Kim 'So Young' . . 3 Jung Kwang-Hwan . . 4 Ladizhansky Vladimir . . 5 Brown Leonid S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 411 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 462 _Year 2011 _Details . loop_ _Keyword 'DNA binding' 'NMR spectroscopy' 'photosensory transduction' 'secondary structure' 'transcription factors' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Anabaena Sensory Rhodopsin Transducer with DNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Anabaena Sensory Rhodopsin Transducer' $ASRT DNA $DNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Anabaena sensory rhodopsin transducer' save_ ######################## # Monomeric polymers # ######################## save_ASRT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ASRT _Molecular_mass . _Mol_thiol_state 'all free' _Details 'ASRT is a tetramer in solution.' ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; SLSIGRTCWAIAEGYIPPYG NGPEPQFISHETVCILNAGD EDAHVEITIYYSDKEPVGPY RLTVPARRTKHVRFNDLNDP APIPHDTDFASVIQSNVPIV VQHTRLDSRQAENALLSTIA YANT ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LEU 3 SER 4 ILE 5 GLY 6 ARG 7 THR 8 CYS 9 TRP 10 ALA 11 ILE 12 ALA 13 GLU 14 GLY 15 TYR 16 ILE 17 PRO 18 PRO 19 TYR 20 GLY 21 ASN 22 GLY 23 PRO 24 GLU 25 PRO 26 GLN 27 PHE 28 ILE 29 SER 30 HIS 31 GLU 32 THR 33 VAL 34 CYS 35 ILE 36 LEU 37 ASN 38 ALA 39 GLY 40 ASP 41 GLU 42 ASP 43 ALA 44 HIS 45 VAL 46 GLU 47 ILE 48 THR 49 ILE 50 TYR 51 TYR 52 SER 53 ASP 54 LYS 55 GLU 56 PRO 57 VAL 58 GLY 59 PRO 60 TYR 61 ARG 62 LEU 63 THR 64 VAL 65 PRO 66 ALA 67 ARG 68 ARG 69 THR 70 LYS 71 HIS 72 VAL 73 ARG 74 PHE 75 ASN 76 ASP 77 LEU 78 ASN 79 ASP 80 PRO 81 ALA 82 PRO 83 ILE 84 PRO 85 HIS 86 ASP 87 THR 88 ASP 89 PHE 90 ALA 91 SER 92 VAL 93 ILE 94 GLN 95 SER 96 ASN 97 VAL 98 PRO 99 ILE 100 VAL 101 VAL 102 GLN 103 HIS 104 THR 105 ARG 106 LEU 107 ASP 108 SER 109 ARG 110 GLN 111 ALA 112 GLU 113 ASN 114 ALA 115 LEU 116 LEU 117 SER 118 THR 119 ILE 120 ALA 121 TYR 122 ALA 123 ASN 124 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 17590 ASRT 100.00 124 100.00 100.00 2.84e-85 BMRB 17591 "Anabaena Sensory Rhodopsin Transducer with F-tails" 100.00 124 100.00 100.00 2.84e-85 PDB 2II7 "Anabaena Sensory Rhodopsin Transducer" 100.00 131 100.00 100.00 3.34e-85 PDB 2II8 "Anabaena Sensory Rhodopsin Transducer" 100.00 131 100.00 100.00 3.34e-85 PDB 2II9 "Anabaena Sensory Rhodopsin Transducer" 100.00 131 100.00 100.00 3.34e-85 PDB 2IIA "Anabaena Sensory Rhodopsin Transducer" 100.00 131 100.00 100.00 3.34e-85 DBJ BAB74865 "alr3166 [Nostoc sp. PCC 7120]" 100.00 125 100.00 100.00 1.92e-85 GB ABA23469 "Protein of unknown function DUF1362 [Anabaena variabilis ATCC 29413]" 100.00 125 98.39 98.39 1.07e-83 REF WP_010997317 "hypothetical protein [Nostoc sp. PCC 7120]" 100.00 125 100.00 100.00 1.92e-85 stop_ save_ save_DNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common DNA _Molecular_mass . _Mol_thiol_state 'not present' _Details 'Double strand DNA with sequence 5 -ATGACCTTTAGGAGGAAAGA-3 and its complementary single-stranded DNA' _Residue_count 20 _Mol_residue_sequence ; ATGACCTTTAGGAGGAAAGA ; loop_ _Residue_seq_code _Residue_label 1 DA 2 DT 3 DG 4 DA 5 DC 6 DC 7 DT 8 DT 9 DT 10 DA 11 DG 12 DG 13 DA 14 DG 15 DG 16 DA 17 DA 18 DA 19 DG 20 DA 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 _Strain $ASRT 'Anabaena variabilis' 1172 Bacteria . Anabaena variabilis 'PCC 7120' 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 $ASRT 'recombinant technology' . Escherichia coli BL21 'Codon Plus' 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 $ASRT 1 mM '[U-100% 13C; U-100% 15N; U-50% 2H]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' Tris 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ASRT 1 mM '[U-100% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' Tris 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 50 . mM pH 7.2 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(CO)CACB' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Anabaena Sensory Rhodopsin Transducer' _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 1 SER C C 174.100 0.3 1 2 1 1 SER CA C 58.200 0.3 1 3 1 1 SER CB C 63.100 0.3 1 4 2 2 LEU H H 8.470 0.02 1 5 2 2 LEU C C 176.600 0.3 1 6 2 2 LEU CA C 54.800 0.3 1 7 2 2 LEU CB C 42.200 0.3 1 8 2 2 LEU N N 125.000 0.3 1 9 3 3 SER H H 8.400 0.02 1 10 3 3 SER C C 173.600 0.3 1 11 3 3 SER CA C 56.500 0.3 1 12 3 3 SER CB C 62.900 0.3 1 13 3 3 SER N N 118.700 0.3 1 14 4 4 ILE H H 8.910 0.02 1 15 4 4 ILE C C 174.100 0.3 1 16 4 4 ILE CA C 60.300 0.3 1 17 4 4 ILE CB C 38.700 0.3 1 18 4 4 ILE N N 125.800 0.3 1 19 5 5 GLY H H 8.260 0.02 1 20 5 5 GLY C C 174.300 0.3 1 21 5 5 GLY CA C 42.900 0.3 1 22 5 5 GLY N N 111.100 0.3 1 23 6 6 ARG H H 8.970 0.02 1 24 6 6 ARG C C 178.200 0.3 1 25 6 6 ARG CA C 52.900 0.3 1 26 6 6 ARG CB C 33.200 0.3 1 27 6 6 ARG N N 116.700 0.3 1 28 7 7 THR C C 173.900 0.3 1 29 7 7 THR CA C 62.500 0.3 1 30 7 7 THR CB C 68.700 0.3 1 31 8 8 CYS H H 7.520 0.02 1 32 8 8 CYS C C 171.900 0.3 1 33 8 8 CYS CA C 58.300 0.3 1 34 8 8 CYS CB C 27.000 0.3 1 35 8 8 CYS N N 122.300 0.3 1 36 9 9 TRP H H 9.650 0.02 1 37 9 9 TRP C C 175.000 0.3 1 38 9 9 TRP CA C 54.600 0.3 1 39 9 9 TRP CB C 33.300 0.3 1 40 9 9 TRP N N 129.700 0.3 1 41 10 10 ALA H H 9.940 0.02 1 42 10 10 ALA C C 175.000 0.3 1 43 10 10 ALA CA C 51.000 0.3 1 44 10 10 ALA CB C 23.600 0.3 1 45 10 10 ALA N N 121.200 0.3 1 46 11 11 ILE H H 9.090 0.02 1 47 11 11 ILE C C 174.700 0.3 1 48 11 11 ILE CA C 61.700 0.3 1 49 11 11 ILE CB C 39.400 0.3 1 50 11 11 ILE N N 123.200 0.3 1 51 12 12 ALA H H 6.830 0.02 1 52 12 12 ALA C C 174.500 0.3 1 53 12 12 ALA CA C 52.700 0.3 1 54 12 12 ALA CB C 18.600 0.3 1 55 12 12 ALA N N 125.600 0.3 1 56 13 13 GLU H H 6.380 0.02 1 57 13 13 GLU C C 173.600 0.3 1 58 13 13 GLU CA C 53.900 0.3 1 59 13 13 GLU CB C 33.400 0.3 1 60 13 13 GLU N N 117.500 0.3 1 61 18 18 PRO C C 175.100 0.3 1 62 18 18 PRO CA C 63.600 0.3 1 63 18 18 PRO CB C 31.700 0.3 1 64 19 19 TYR H H 6.920 0.02 1 65 19 19 TYR C C 173.400 0.3 1 66 19 19 TYR CA C 56.200 0.3 1 67 19 19 TYR CB C 38.100 0.3 1 68 19 19 TYR N N 114.200 0.3 1 69 20 20 GLY H H 8.260 0.02 1 70 20 20 GLY C C 171.200 0.3 1 71 20 20 GLY CA C 44.800 0.3 1 72 20 20 GLY N N 108.300 0.3 1 73 21 21 ASN H H 8.480 0.02 1 74 21 21 ASN C C 173.800 0.3 1 75 21 21 ASN CA C 53.300 0.3 1 76 21 21 ASN CB C 42.700 0.3 1 77 21 21 ASN N N 118.100 0.3 1 78 22 22 GLY H H 8.430 0.02 1 79 22 22 GLY C C 172.200 0.3 1 80 22 22 GLY CA C 43.500 0.3 1 81 22 22 GLY N N 108.100 0.3 1 82 23 23 PRO C C 176.700 0.3 1 83 23 23 PRO CA C 63.200 0.3 1 84 23 23 PRO CB C 31.100 0.3 1 85 24 24 GLU H H 8.320 0.02 1 86 24 24 GLU C C 174.600 0.3 1 87 24 24 GLU CA C 54.500 0.3 1 88 24 24 GLU CB C 28.800 0.3 1 89 24 24 GLU N N 121.900 0.3 1 90 27 27 PHE H H 8.580 0.02 1 91 27 27 PHE CA C 58.700 0.3 1 92 27 27 PHE CB C 37.000 0.3 1 93 27 27 PHE N N 111.100 0.3 1 94 28 28 ILE H H 6.910 0.02 1 95 28 28 ILE C C 176.600 0.3 1 96 28 28 ILE CA C 61.700 0.3 1 97 28 28 ILE CB C 38.500 0.3 1 98 28 28 ILE N N 123.400 0.3 1 99 29 29 SER H H 8.220 0.02 1 100 29 29 SER CA C 175.20 0.3 1 101 29 29 SER N N 106.800 0.3 1 102 33 33 VAL H H 9.070 0.02 1 103 33 33 VAL C C 173.700 0.3 1 104 33 33 VAL CA C 58.600 0.3 1 105 33 33 VAL CB C 32.700 0.3 1 106 33 33 VAL N N 123.200 0.3 1 107 34 34 CYS H H 9.460 0.02 1 108 34 34 CYS C C 174.100 0.3 1 109 34 34 CYS CA C 57.500 0.3 1 110 34 34 CYS CB C 27.300 0.3 1 111 34 34 CYS N N 126.600 0.3 1 112 35 35 ILE H H 8.850 0.02 1 113 35 35 ILE C C 175.000 0.3 1 114 35 35 ILE CA C 59.700 0.3 1 115 35 35 ILE CB C 39.700 0.3 1 116 35 35 ILE N N 122.000 0.3 1 117 36 36 LEU H H 9.090 0.02 1 118 36 36 LEU C C 173.300 0.3 1 119 36 36 LEU CA C 53.100 0.3 1 120 36 36 LEU CB C 43.200 0.3 1 121 36 36 LEU N N 130.700 0.3 1 122 37 37 ASN H H 8.570 0.02 1 123 37 37 ASN C C 172.900 0.3 1 124 37 37 ASN CA C 50.200 0.3 1 125 37 37 ASN CB C 38.100 0.3 1 126 37 37 ASN N N 124.600 0.3 1 127 38 38 ALA H H 8.790 0.02 1 128 38 38 ALA C C 177.100 0.3 1 129 38 38 ALA CA C 51.000 0.3 1 130 38 38 ALA CB C 17.400 0.3 1 131 38 38 ALA N N 123.800 0.3 1 132 39 39 GLY H H 7.810 0.02 1 133 39 39 GLY C C 172.000 0.3 1 134 39 39 GLY CA C 44.000 0.3 1 135 39 39 GLY N N 106.000 0.3 1 136 40 40 ASP H H 8.100 0.02 1 137 40 40 ASP C C 175.800 0.3 1 138 40 40 ASP CA C 54.700 0.3 1 139 40 40 ASP CB C 41.200 0.3 1 140 40 40 ASP N N 112.300 0.3 1 141 41 41 GLU H H 7.840 0.02 1 142 41 41 GLU C C 175.300 0.3 1 143 41 41 GLU CA C 53.700 0.3 1 144 41 41 GLU CB C 31.700 0.3 1 145 41 41 GLU N N 119.800 0.3 1 146 42 42 ASP H H 8.820 0.02 1 147 42 42 ASP C C 173.200 0.3 1 148 42 42 ASP CA C 54.900 0.3 1 149 42 42 ASP CB C 39.900 0.3 1 150 42 42 ASP N N 124.400 0.3 1 151 43 43 ALA H H 8.240 0.02 1 152 43 43 ALA C C 175.800 0.3 1 153 43 43 ALA CA C 49.600 0.3 1 154 43 43 ALA CB C 18.000 0.3 1 155 43 43 ALA N N 123.300 0.3 1 156 44 44 HIS H H 9.300 0.02 1 157 44 44 HIS C C 174.300 0.3 1 158 44 44 HIS CA C 54.900 0.3 1 159 44 44 HIS CB C 27.800 0.3 1 160 44 44 HIS N N 127.300 0.3 1 161 45 45 VAL H H 9.030 0.02 1 162 45 45 VAL C C 175.800 0.3 1 163 45 45 VAL CA C 61.300 0.3 1 164 45 45 VAL CB C 32.200 0.3 1 165 45 45 VAL N N 126.800 0.3 1 166 46 46 GLU H H 9.460 0.02 1 167 46 46 GLU C C 176.200 0.3 1 168 46 46 GLU CA C 54.500 0.3 1 169 46 46 GLU CB C 32.200 0.3 1 170 46 46 GLU N N 126.300 0.3 1 171 47 47 ILE H H 9.820 0.02 1 172 47 47 ILE C C 175.800 0.3 1 173 47 47 ILE CA C 60.400 0.3 1 174 47 47 ILE CB C 41.000 0.3 1 175 47 47 ILE N N 127.400 0.3 1 176 48 48 THR H H 9.590 0.02 1 177 48 48 THR C C 172.000 0.3 1 178 48 48 THR CA C 62.800 0.3 1 179 48 48 THR CB C 70.200 0.3 1 180 48 48 THR N N 126.800 0.3 1 181 49 49 ILE H H 9.050 0.02 1 182 49 49 ILE C C 174.300 0.3 1 183 49 49 ILE CA C 57.200 0.3 1 184 49 49 ILE CB C 35.900 0.3 1 185 49 49 ILE N N 128.800 0.3 1 186 50 50 TYR H H 8.790 0.02 1 187 50 50 TYR C C 173.800 0.3 1 188 50 50 TYR CA C 56.000 0.3 1 189 50 50 TYR N N 124.900 0.3 1 190 51 51 TYR H H 10.000 0.02 1 191 51 51 TYR C C 176.600 0.3 1 192 51 51 TYR CA C 56.700 0.3 1 193 51 51 TYR CB C 43.500 0.3 1 194 51 51 TYR N N 117.400 0.3 1 195 52 52 SER H H 9.550 0.02 1 196 52 52 SER C C 178.400 0.3 1 197 52 52 SER CA C 59.500 0.3 1 198 52 52 SER CB C 64.400 0.3 1 199 52 52 SER N N 114.900 0.3 1 200 53 53 ASP H H 8.400 0.02 1 201 53 53 ASP C C 175.100 0.3 1 202 53 53 ASP CA C 53.100 0.3 1 203 53 53 ASP CB C 40.800 0.3 1 204 53 53 ASP N N 119.100 0.3 1 205 54 54 LYS H H 7.330 0.02 1 206 54 54 LYS C C 174.000 0.3 1 207 54 54 LYS CA C 54.500 0.3 1 208 54 54 LYS CB C 33.700 0.3 1 209 54 54 LYS N N 115.700 0.3 1 210 55 55 GLU H H 8.200 0.02 1 211 55 55 GLU C C 172.800 0.3 1 212 55 55 GLU CA C 55.400 0.3 1 213 55 55 GLU CB C 28.300 0.3 1 214 55 55 GLU N N 119.100 0.3 1 215 56 56 PRO C C 177.600 0.3 1 216 56 56 PRO CA C 62.500 0.3 1 217 56 56 PRO CB C 31.500 0.3 1 218 57 57 VAL H H 9.250 0.02 1 219 57 57 VAL C C 174.700 0.3 1 220 57 57 VAL CA C 61.200 0.3 1 221 57 57 VAL CB C 34.400 0.3 1 222 57 57 VAL N N 121.700 0.3 1 223 58 58 GLY H H 8.190 0.02 1 224 58 58 GLY C C 170.200 0.3 1 225 58 58 GLY CA C 44.000 0.3 1 226 58 58 GLY N N 111.800 0.3 1 227 59 59 PRO C C 175.800 0.3 1 228 59 59 PRO CA C 61.600 0.3 1 229 59 59 PRO CB C 33.400 0.3 1 230 60 60 TYR H H 10.000 0.02 1 231 60 60 TYR C C 176.000 0.3 1 232 60 60 TYR CA C 57.400 0.3 1 233 60 60 TYR CB C 37.100 0.3 1 234 60 60 TYR N N 125.100 0.3 1 235 61 61 ARG H H 9.040 0.02 1 236 61 61 ARG C C 176.200 0.3 1 237 61 61 ARG CA C 55.900 0.3 1 238 61 61 ARG CB C 30.900 0.3 1 239 61 61 ARG N N 124.100 0.3 1 240 62 62 LEU H H 8.760 0.02 1 241 62 62 LEU C C 174.500 0.3 1 242 62 62 LEU CA C 54.700 0.3 1 243 62 62 LEU CB C 43.300 0.3 1 244 62 62 LEU N N 121.600 0.3 1 245 63 63 THR H H 8.670 0.02 1 246 63 63 THR C C 174.500 0.3 1 247 63 63 THR CA C 60.500 0.3 1 248 63 63 THR CB C 70.200 0.3 1 249 63 63 THR N N 118.300 0.3 1 250 64 64 VAL H H 9.430 0.02 1 251 64 64 VAL C C 173.200 0.3 1 252 64 64 VAL CA C 59.200 0.3 1 253 64 64 VAL CB C 31.400 0.3 1 254 64 64 VAL N N 128.600 0.3 1 255 65 65 PRO C C 171.900 0.3 1 256 65 65 PRO CA C 62.000 0.3 1 257 65 65 PRO CB C 31.400 0.3 1 258 66 66 ALA H H 7.900 0.02 1 259 66 66 ALA C C 176.200 0.3 1 260 66 66 ALA CA C 52.500 0.3 1 261 66 66 ALA CB C 18.600 0.3 1 262 66 66 ALA N N 119.600 0.3 1 263 67 67 ARG H H 7.830 0.02 1 264 67 67 ARG C C 176.400 0.3 1 265 67 67 ARG CA C 56.700 0.3 1 266 67 67 ARG CB C 26.100 0.3 1 267 67 67 ARG N N 118.200 0.3 1 268 68 68 ARG C C 174.800 0.3 1 269 68 68 ARG CA C 53.300 0.3 1 270 68 68 ARG CB C 33.200 0.3 1 271 69 69 THR H H 7.300 0.02 1 272 69 69 THR C C 172.400 0.3 1 273 69 69 THR CA C 56.700 0.3 1 274 69 69 THR CB C 69.900 0.3 1 275 69 69 THR N N 112.300 0.3 1 276 70 70 LYS H H 8.550 0.02 1 277 70 70 LYS C C 174.600 0.3 1 278 70 70 LYS CA C 55.100 0.3 1 279 70 70 LYS CB C 35.800 0.3 1 280 70 70 LYS N N 125.000 0.3 1 281 71 71 HIS H H 9.970 0.02 1 282 71 71 HIS C C 172.900 0.3 1 283 71 71 HIS CA C 52.400 0.3 1 284 71 71 HIS CB C 26.900 0.3 1 285 71 71 HIS N N 128.200 0.3 1 286 72 72 VAL H H 8.640 0.02 1 287 72 72 VAL C C 174.500 0.3 1 288 72 72 VAL CA C 61.600 0.3 1 289 72 72 VAL CB C 31.900 0.3 1 290 72 72 VAL N N 127.600 0.3 1 291 73 73 ARG H H 9.080 0.02 1 292 73 73 ARG C C 179.000 0.3 1 293 73 73 ARG CA C 54.800 0.3 1 294 73 73 ARG CB C 28.800 0.3 1 295 73 73 ARG N N 126.600 0.3 1 296 74 74 PHE C C 178.200 0.3 1 297 74 74 PHE CA C 62.100 0.3 1 298 74 74 PHE CB C 37.500 0.3 1 299 75 75 ASN H H 9.260 0.02 1 300 75 75 ASN C C 175.000 0.3 1 301 75 75 ASN CA C 55.800 0.3 1 302 75 75 ASN CB C 36.300 0.3 1 303 75 75 ASN N N 110.700 0.3 1 304 76 76 ASP H H 7.540 0.02 1 305 76 76 ASP C C 176.600 0.3 1 306 76 76 ASP CA C 54.400 0.3 1 307 76 76 ASP CB C 40.800 0.3 1 308 76 76 ASP N N 114.600 0.3 1 309 77 77 LEU H H 7.170 0.02 1 310 77 77 LEU C C 177.500 0.3 1 311 77 77 LEU CA C 55.200 0.3 1 312 77 77 LEU CB C 40.100 0.3 1 313 77 77 LEU N N 121.300 0.3 1 314 80 80 PRO C C 176.600 0.3 1 315 80 80 PRO CA C 64.000 0.3 1 316 80 80 PRO CB C 33.700 0.3 1 317 81 81 ALA H H 6.900 0.02 1 318 81 81 ALA C C 174.500 0.3 1 319 81 81 ALA CA C 50.700 0.3 1 320 81 81 ALA CB C 19.600 0.3 1 321 81 81 ALA N N 121.600 0.3 1 322 82 82 PRO C C 175.800 0.3 1 323 82 82 PRO CA C 62.400 0.3 1 324 82 82 PRO CB C 30.900 0.3 1 325 83 83 ILE H H 9.140 0.02 1 326 83 83 ILE C C 174.400 0.3 1 327 83 83 ILE CA C 58.200 0.3 1 328 83 83 ILE CB C 38.600 0.3 1 329 83 83 ILE N N 128.500 0.3 1 330 84 84 PRO C C 176.400 0.3 1 331 84 84 PRO CA C 62.000 0.3 1 332 84 84 PRO CB C 31.100 0.3 1 333 85 85 HIS H H 8.570 0.02 1 334 85 85 HIS C C 177.800 0.3 1 335 85 85 HIS CA C 53.800 0.3 1 336 85 85 HIS CB C 30.800 0.3 1 337 85 85 HIS N N 119.300 0.3 1 338 86 86 ASP H H 9.380 0.02 1 339 86 86 ASP C C 174.900 0.3 1 340 86 86 ASP CA C 55.400 0.3 1 341 86 86 ASP CB C 41.200 0.3 1 342 86 86 ASP N N 122.100 0.3 1 343 87 87 THR H H 8.450 0.02 1 344 87 87 THR CA C 62.300 0.3 1 345 87 87 THR CB C 72.200 0.3 1 346 87 87 THR N N 114.100 0.3 1 347 88 88 ASP H H 8.900 0.02 1 348 88 88 ASP C C 175.200 0.3 1 349 88 88 ASP CA C 55.100 0.3 1 350 88 88 ASP CB C 39.700 0.3 1 351 88 88 ASP N N 130.600 0.3 1 352 89 89 PHE H H 9.110 0.02 1 353 89 89 PHE C C 171.300 0.3 1 354 89 89 PHE CA C 56.800 0.3 1 355 89 89 PHE CB C 40.000 0.3 1 356 89 89 PHE N N 122.400 0.3 1 357 90 90 ALA H H 8.620 0.02 1 358 90 90 ALA C C 177.300 0.3 1 359 90 90 ALA CA C 50.800 0.3 1 360 90 90 ALA CB C 22.700 0.3 1 361 90 90 ALA N N 120.500 0.3 1 362 91 91 SER H H 9.350 0.02 1 363 91 91 SER C C 173.400 0.3 1 364 91 91 SER CA C 58.200 0.3 1 365 91 91 SER CB C 66.600 0.3 1 366 91 91 SER N N 111.700 0.3 1 367 92 92 VAL H H 8.810 0.02 1 368 92 92 VAL C C 174.700 0.3 1 369 92 92 VAL CA C 61.100 0.3 1 370 92 92 VAL CB C 34.500 0.3 1 371 92 92 VAL N N 119.200 0.3 1 372 93 93 ILE H H 9.550 0.02 1 373 93 93 ILE C C 174.300 0.3 1 374 93 93 ILE CA C 61.100 0.3 1 375 93 93 ILE CB C 39.900 0.3 1 376 93 93 ILE N N 128.900 0.3 1 377 94 94 GLN H H 9.230 0.02 1 378 94 94 GLN C C 174.600 0.3 1 379 94 94 GLN CA C 54.200 0.3 1 380 94 94 GLN CB C 32.700 0.3 1 381 94 94 GLN N N 125.400 0.3 1 382 95 95 SER H H 8.990 0.02 1 383 95 95 SER C C 173.800 0.3 1 384 95 95 SER CA C 55.600 0.3 1 385 95 95 SER CB C 65.200 0.3 1 386 95 95 SER N N 116.300 0.3 1 387 96 96 ASN H H 9.150 0.02 1 388 96 96 ASN C C 175.100 0.3 1 389 96 96 ASN CA C 55.300 0.3 1 390 96 96 ASN CB C 35.800 0.3 1 391 96 96 ASN N N 121.200 0.3 1 392 97 97 VAL H H 7.520 0.02 1 393 97 97 VAL C C 173.700 0.3 1 394 97 97 VAL CA C 57.700 0.3 1 395 97 97 VAL CB C 31.300 0.3 1 396 97 97 VAL N N 113.000 0.3 1 397 100 100 VAL C C 175.200 0.3 1 398 100 100 VAL CA C 64.000 0.3 1 399 100 100 VAL CB C 30.200 0.3 1 400 101 101 VAL H H 8.420 0.02 1 401 101 101 VAL C C 174.900 0.3 1 402 101 101 VAL CA C 59.700 0.3 1 403 101 101 VAL CB C 33.100 0.3 1 404 101 101 VAL N N 116.200 0.3 1 405 102 102 GLN H H 8.730 0.02 1 406 102 102 GLN C C 172.100 0.3 1 407 102 102 GLN CA C 54.700 0.3 1 408 102 102 GLN CB C 33.300 0.3 1 409 102 102 GLN N N 128.700 0.3 1 410 103 103 HIS H H 9.180 0.02 1 411 103 103 HIS C C 173.600 0.3 1 412 103 103 HIS CA C 53.800 0.3 1 413 103 103 HIS CB C 34.600 0.3 1 414 103 103 HIS N N 130.000 0.3 1 415 109 109 ARG H H 9.410 0.02 1 416 109 109 ARG CA C 55.200 0.3 1 417 109 109 ARG CB C 29.800 0.3 1 418 109 109 ARG N N 120.800 0.3 1 419 110 110 GLN H H 7.440 0.02 1 420 110 110 GLN C C 175.800 0.3 1 421 110 110 GLN CA C 54.700 0.3 1 422 110 110 GLN CB C 34.900 0.3 1 423 110 110 GLN N N 122.100 0.3 1 424 111 111 ALA H H 9.270 0.02 1 425 111 111 ALA C C 174.800 0.3 1 426 111 111 ALA CA C 54.000 0.3 1 427 111 111 ALA CB C 17.300 0.3 1 428 111 111 ALA N N 125.000 0.3 1 429 112 112 GLU H H 8.720 0.02 1 430 112 112 GLU C C 174.200 0.3 1 431 112 112 GLU CA C 54.200 0.3 1 432 112 112 GLU N N 116.200 0.3 1 433 113 113 ASN H H 7.100 0.02 1 434 113 113 ASN C C 177.400 0.3 1 435 113 113 ASN CA C 55.000 0.3 1 436 113 113 ASN CB C 37.800 0.3 1 437 113 113 ASN N N 121.100 0.3 1 438 114 114 ALA H H 8.780 0.02 1 439 114 114 ALA C C 173.100 0.3 1 440 114 114 ALA CA C 51.300 0.3 1 441 114 114 ALA CB C 21.800 0.3 1 442 114 114 ALA N N 136.000 0.3 1 443 115 115 LEU H H 7.670 0.02 1 444 115 115 LEU C C 173.300 0.3 1 445 115 115 LEU CA C 52.400 0.3 1 446 115 115 LEU CB C 48.300 0.3 1 447 115 115 LEU N N 121.600 0.3 1 448 116 116 LEU H H 7.970 0.02 1 449 116 116 LEU C C 175.800 0.3 1 450 116 116 LEU CA C 54.000 0.3 1 451 116 116 LEU CB C 42.400 0.3 1 452 116 116 LEU N N 112.900 0.3 1 453 117 117 SER H H 8.520 0.02 1 454 117 117 SER C C 173.100 0.3 1 455 117 117 SER CA C 57.800 0.3 1 456 117 117 SER CB C 67.500 0.3 1 457 117 117 SER N N 114.400 0.3 1 458 118 118 THR H H 9.390 0.02 1 459 118 118 THR C C 174.000 0.3 1 460 118 118 THR CA C 60.100 0.3 1 461 118 118 THR CB C 70.400 0.3 1 462 118 118 THR N N 118.000 0.3 1 463 119 119 ILE H H 8.260 0.02 1 464 119 119 ILE C C 177.800 0.3 1 465 119 119 ILE CA C 61.700 0.3 1 466 119 119 ILE CB C 35.100 0.3 1 467 119 119 ILE N N 133.200 0.3 1 468 120 120 ALA H H 8.440 0.02 1 469 120 120 ALA C C 174.100 0.3 1 470 120 120 ALA CA C 52.200 0.3 1 471 120 120 ALA CB C 18.800 0.3 1 472 120 120 ALA N N 131.600 0.3 1 473 121 121 TYR H H 8.780 0.02 1 474 121 121 TYR C C 174.000 0.3 1 475 121 121 TYR CA C 58.500 0.3 1 476 121 121 TYR CB C 38.700 0.3 1 477 121 121 TYR N N 117.100 0.3 1 478 122 122 ALA H H 7.560 0.02 1 479 122 122 ALA C C 175.600 0.3 1 480 122 122 ALA CA C 49.700 0.3 1 481 122 122 ALA CB C 16.800 0.3 1 482 122 122 ALA N N 132.100 0.3 1 483 123 123 ASN H H 8.070 0.02 1 484 123 123 ASN C C 174.700 0.3 1 485 123 123 ASN CA C 53.200 0.3 1 486 123 123 ASN CB C 39.700 0.3 1 487 123 123 ASN N N 120.900 0.3 1 488 124 124 THR H H 7.350 0.02 1 489 124 124 THR C C 179.000 0.3 1 490 124 124 THR CA C 62.800 0.3 1 491 124 124 THR CB C 70.500 0.3 1 492 124 124 THR N N 121.400 0.3 1 stop_ save_