data_17590 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments of Anabaena Sensory Rhodopsin Transducer with D-tails ; _BMRB_accession_number 17590 _BMRB_flat_file_name bmr17590.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" 83 "13C chemical shifts" 281 "15N chemical shifts" 83 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 17591 'Backbone assignments of Anabaena Sensory Rhodopsin Transducer with F-tails' 17592 'Backbone assignments of Anabaena Sensory Rhodopsin Transducer with DNA' 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' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Anabaena sensory rhodopsin transducer' $ASRT 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 17591 "Anabaena Sensory Rhodopsin Transducer with F-tails" 100.00 124 100.00 100.00 2.84e-85 BMRB 17592 ASRT 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_ #################### # 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]' H2O 90 % 'natural abundance' D2O 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]' H2O 90 % 'natural abundance' D2O 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 33 33 VAL H H 9.070 0.02 1 91 33 33 VAL C C 173.700 0.3 1 92 33 33 VAL CA C 58.600 0.3 1 93 33 33 VAL CB C 32.700 0.3 1 94 33 33 VAL N N 123.200 0.3 1 95 34 34 CYS H H 9.460 0.02 1 96 34 34 CYS C C 174.100 0.3 1 97 34 34 CYS CA C 57.500 0.3 1 98 34 34 CYS CB C 27.300 0.3 1 99 34 34 CYS N N 126.600 0.3 1 100 35 35 ILE H H 8.850 0.02 1 101 35 35 ILE C C 175.000 0.3 1 102 35 35 ILE CA C 59.700 0.3 1 103 35 35 ILE CB C 39.700 0.3 1 104 35 35 ILE N N 122.000 0.3 1 105 36 36 LEU H H 9.090 0.02 1 106 36 36 LEU C C 173.300 0.3 1 107 36 36 LEU CA C 53.100 0.3 1 108 36 36 LEU CB C 43.200 0.3 1 109 36 36 LEU N N 130.700 0.3 1 110 37 37 ASN H H 8.570 0.02 1 111 37 37 ASN C C 172.900 0.3 1 112 37 37 ASN CA C 50.200 0.3 1 113 37 37 ASN CB C 38.100 0.3 1 114 37 37 ASN N N 124.600 0.3 1 115 38 38 ALA H H 8.790 0.02 1 116 38 38 ALA C C 177.100 0.3 1 117 38 38 ALA CA C 51.000 0.3 1 118 38 38 ALA CB C 17.400 0.3 1 119 38 38 ALA N N 123.800 0.3 1 120 39 39 GLY H H 7.810 0.02 1 121 39 39 GLY C C 172.000 0.3 1 122 39 39 GLY CA C 44.000 0.3 1 123 39 39 GLY N N 106.000 0.3 1 124 40 40 ASP H H 8.100 0.02 1 125 40 40 ASP C C 175.800 0.3 1 126 40 40 ASP CA C 54.700 0.3 1 127 40 40 ASP CB C 41.200 0.3 1 128 40 40 ASP N N 112.300 0.3 1 129 41 41 GLU H H 7.840 0.02 1 130 41 41 GLU C C 175.300 0.3 1 131 41 41 GLU CA C 53.700 0.3 1 132 41 41 GLU CB C 31.700 0.3 1 133 41 41 GLU N N 119.800 0.3 1 134 42 42 ASP H H 8.820 0.02 1 135 42 42 ASP C C 173.200 0.3 1 136 42 42 ASP CA C 54.900 0.3 1 137 42 42 ASP CB C 39.900 0.3 1 138 42 42 ASP N N 124.400 0.3 1 139 43 43 ALA H H 8.240 0.02 1 140 43 43 ALA C C 175.800 0.3 1 141 43 43 ALA CA C 49.600 0.3 1 142 43 43 ALA CB C 18.000 0.3 1 143 43 43 ALA N N 123.300 0.3 1 144 44 44 HIS H H 9.300 0.02 1 145 44 44 HIS C C 174.300 0.3 1 146 44 44 HIS CA C 54.900 0.3 1 147 44 44 HIS CB C 27.800 0.3 1 148 44 44 HIS N N 127.300 0.3 1 149 45 45 VAL H H 9.030 0.02 1 150 45 45 VAL C C 175.800 0.3 1 151 45 45 VAL CA C 61.300 0.3 1 152 45 45 VAL CB C 32.200 0.3 1 153 45 45 VAL N N 126.800 0.3 1 154 46 46 GLU H H 9.460 0.02 1 155 46 46 GLU C C 176.200 0.3 1 156 46 46 GLU CA C 54.500 0.3 1 157 46 46 GLU CB C 32.200 0.3 1 158 46 46 GLU N N 126.300 0.3 1 159 47 47 ILE H H 9.820 0.02 1 160 47 47 ILE C C 175.800 0.3 1 161 47 47 ILE CA C 60.400 0.3 1 162 47 47 ILE CB C 41.000 0.3 1 163 47 47 ILE N N 127.400 0.3 1 164 48 48 THR H H 9.590 0.02 1 165 48 48 THR C C 172.000 0.3 1 166 48 48 THR CA C 62.800 0.3 1 167 48 48 THR CB C 70.200 0.3 1 168 48 48 THR N N 126.800 0.3 1 169 49 49 ILE H H 9.050 0.02 1 170 49 49 ILE C C 174.300 0.3 1 171 49 49 ILE CA C 57.200 0.3 1 172 49 49 ILE CB C 35.900 0.3 1 173 49 49 ILE N N 128.800 0.3 1 174 50 50 TYR H H 8.790 0.02 1 175 50 50 TYR C C 173.800 0.3 1 176 50 50 TYR CA C 56.000 0.3 1 177 50 50 TYR N N 124.900 0.3 1 178 51 51 TYR H H 10.000 0.02 1 179 51 51 TYR C C 176.600 0.3 1 180 51 51 TYR CA C 56.700 0.3 1 181 51 51 TYR CB C 43.500 0.3 1 182 51 51 TYR N N 117.400 0.3 1 183 52 52 SER H H 9.550 0.02 1 184 52 52 SER C C 178.400 0.3 1 185 52 52 SER CA C 59.500 0.3 1 186 52 52 SER CB C 64.400 0.3 1 187 52 52 SER N N 114.900 0.3 1 188 53 53 ASP H H 8.400 0.02 1 189 53 53 ASP C C 175.100 0.3 1 190 53 53 ASP CA C 53.100 0.3 1 191 53 53 ASP CB C 40.800 0.3 1 192 53 53 ASP N N 119.100 0.3 1 193 54 54 LYS H H 7.330 0.02 1 194 54 54 LYS C C 174.000 0.3 1 195 54 54 LYS CA C 54.500 0.3 1 196 54 54 LYS CB C 33.700 0.3 1 197 54 54 LYS N N 115.700 0.3 1 198 55 55 GLU H H 8.200 0.02 1 199 55 55 GLU C C 172.800 0.3 1 200 55 55 GLU CA C 55.400 0.3 1 201 55 55 GLU CB C 28.300 0.3 1 202 55 55 GLU N N 119.100 0.3 1 203 56 56 PRO C C 177.600 0.3 1 204 56 56 PRO CA C 62.500 0.3 1 205 56 56 PRO CB C 31.500 0.3 1 206 57 57 VAL H H 9.250 0.02 1 207 57 57 VAL C C 174.700 0.3 1 208 57 57 VAL CA C 61.200 0.3 1 209 57 57 VAL CB C 34.400 0.3 1 210 57 57 VAL N N 121.700 0.3 1 211 58 58 GLY H H 8.190 0.02 1 212 58 58 GLY C C 170.200 0.3 1 213 58 58 GLY CA C 44.000 0.3 1 214 58 58 GLY N N 111.800 0.3 1 215 59 59 PRO C C 175.800 0.3 1 216 59 59 PRO CA C 61.600 0.3 1 217 59 59 PRO CB C 33.400 0.3 1 218 60 60 TYR H H 10.000 0.02 1 219 60 60 TYR C C 176.000 0.3 1 220 60 60 TYR CA C 57.400 0.3 1 221 60 60 TYR CB C 37.100 0.3 1 222 60 60 TYR N N 125.100 0.3 1 223 61 61 ARG H H 9.040 0.02 1 224 61 61 ARG C C 176.200 0.3 1 225 61 61 ARG CA C 55.900 0.3 1 226 61 61 ARG CB C 30.900 0.3 1 227 61 61 ARG N N 124.100 0.3 1 228 62 62 LEU H H 8.760 0.02 1 229 62 62 LEU C C 174.500 0.3 1 230 62 62 LEU CA C 54.700 0.3 1 231 62 62 LEU CB C 43.300 0.3 1 232 62 62 LEU N N 121.600 0.3 1 233 63 63 THR H H 8.670 0.02 1 234 63 63 THR C C 174.500 0.3 1 235 63 63 THR CA C 60.500 0.3 1 236 63 63 THR CB C 70.200 0.3 1 237 63 63 THR N N 118.300 0.3 1 238 64 64 VAL H H 9.430 0.02 1 239 64 64 VAL C C 173.200 0.3 1 240 64 64 VAL CA C 59.200 0.3 1 241 64 64 VAL CB C 31.400 0.3 1 242 64 64 VAL N N 128.600 0.3 1 243 65 65 PRO C C 171.900 0.3 1 244 65 65 PRO CA C 62.000 0.3 1 245 65 65 PRO CB C 31.400 0.3 1 246 66 66 ALA H H 7.900 0.02 1 247 66 66 ALA C C 176.200 0.3 1 248 66 66 ALA CA C 52.500 0.3 1 249 66 66 ALA CB C 18.600 0.3 1 250 66 66 ALA N N 119.600 0.3 1 251 67 67 ARG H H 7.830 0.02 1 252 67 67 ARG C C 176.400 0.3 1 253 67 67 ARG CA C 56.700 0.3 1 254 67 67 ARG CB C 26.100 0.3 1 255 67 67 ARG N N 118.200 0.3 1 256 68 68 ARG C C 174.800 0.3 1 257 68 68 ARG CA C 53.300 0.3 1 258 68 68 ARG CB C 33.200 0.3 1 259 69 69 THR H H 7.300 0.02 1 260 69 69 THR C C 172.400 0.3 1 261 69 69 THR CA C 56.700 0.3 1 262 69 69 THR CB C 69.900 0.3 1 263 69 69 THR N N 112.300 0.3 1 264 70 70 LYS H H 8.550 0.02 1 265 70 70 LYS C C 174.600 0.3 1 266 70 70 LYS CA C 55.100 0.3 1 267 70 70 LYS CB C 35.800 0.3 1 268 70 70 LYS N N 125.000 0.3 1 269 71 71 HIS H H 9.970 0.02 1 270 71 71 HIS C C 172.900 0.3 1 271 71 71 HIS CA C 52.400 0.3 1 272 71 71 HIS CB C 26.900 0.3 1 273 71 71 HIS N N 128.200 0.3 1 274 72 72 VAL H H 8.640 0.02 1 275 72 72 VAL C C 174.500 0.3 1 276 72 72 VAL CA C 61.600 0.3 1 277 72 72 VAL CB C 31.900 0.3 1 278 72 72 VAL N N 127.600 0.3 1 279 73 73 ARG H H 9.080 0.02 1 280 73 73 ARG C C 179.000 0.3 1 281 73 73 ARG CA C 54.800 0.3 1 282 73 73 ARG CB C 28.800 0.3 1 283 73 73 ARG N N 126.600 0.3 1 284 74 74 PHE C C 178.200 0.3 1 285 74 74 PHE CA C 62.100 0.3 1 286 74 74 PHE CB C 37.500 0.3 1 287 75 75 ASN H H 9.260 0.02 1 288 75 75 ASN C C 175.000 0.3 1 289 75 75 ASN CA C 55.800 0.3 1 290 75 75 ASN CB C 36.300 0.3 1 291 75 75 ASN N N 110.700 0.3 1 292 76 76 ASP H H 7.540 0.02 1 293 76 76 ASP C C 176.600 0.3 1 294 76 76 ASP CA C 54.400 0.3 1 295 76 76 ASP CB C 40.800 0.3 1 296 76 76 ASP N N 114.600 0.3 1 297 77 77 LEU H H 7.170 0.02 1 298 77 77 LEU C C 177.500 0.3 1 299 77 77 LEU CA C 55.200 0.3 1 300 77 77 LEU CB C 40.100 0.3 1 301 77 77 LEU N N 121.300 0.3 1 302 80 80 PRO C C 176.600 0.3 1 303 80 80 PRO CA C 64.000 0.3 1 304 80 80 PRO CB C 33.700 0.3 1 305 81 81 ALA H H 6.900 0.02 1 306 81 81 ALA C C 174.500 0.3 1 307 81 81 ALA CA C 50.700 0.3 1 308 81 81 ALA CB C 19.600 0.3 1 309 81 81 ALA N N 121.600 0.3 1 310 82 82 PRO C C 175.800 0.3 1 311 82 82 PRO CA C 62.400 0.3 1 312 82 82 PRO CB C 30.900 0.3 1 313 83 83 ILE H H 9.140 0.02 1 314 83 83 ILE C C 174.400 0.3 1 315 83 83 ILE CA C 58.200 0.3 1 316 83 83 ILE CB C 38.600 0.3 1 317 83 83 ILE N N 128.500 0.3 1 318 84 84 PRO C C 176.400 0.3 1 319 84 84 PRO CA C 62.000 0.3 1 320 84 84 PRO CB C 31.100 0.3 1 321 85 85 HIS H H 8.570 0.02 1 322 85 85 HIS C C 177.800 0.3 1 323 85 85 HIS CA C 53.800 0.3 1 324 85 85 HIS CB C 30.800 0.3 1 325 85 85 HIS N N 119.300 0.3 1 326 86 86 ASP H H 9.380 0.02 1 327 86 86 ASP C C 174.900 0.3 1 328 86 86 ASP CA C 55.400 0.3 1 329 86 86 ASP CB C 41.200 0.3 1 330 86 86 ASP N N 122.100 0.3 1 331 87 87 THR H H 8.450 0.02 1 332 87 87 THR CA C 62.300 0.3 1 333 87 87 THR CB C 72.200 0.3 1 334 87 87 THR N N 114.100 0.3 1 335 88 88 ASP H H 8.900 0.02 1 336 88 88 ASP C C 175.200 0.3 1 337 88 88 ASP CA C 55.100 0.3 1 338 88 88 ASP CB C 39.700 0.3 1 339 88 88 ASP N N 130.600 0.3 1 340 89 89 PHE H H 9.110 0.02 1 341 89 89 PHE C C 171.300 0.3 1 342 89 89 PHE CA C 56.800 0.3 1 343 89 89 PHE CB C 40.000 0.3 1 344 89 89 PHE N N 122.400 0.3 1 345 90 90 ALA H H 8.620 0.02 1 346 90 90 ALA C C 177.300 0.3 1 347 90 90 ALA CA C 50.800 0.3 1 348 90 90 ALA CB C 22.700 0.3 1 349 90 90 ALA N N 120.500 0.3 1 350 91 91 SER H H 9.350 0.02 1 351 91 91 SER C C 173.400 0.3 1 352 91 91 SER CA C 58.200 0.3 1 353 91 91 SER CB C 66.600 0.3 1 354 91 91 SER N N 111.700 0.3 1 355 92 92 VAL H H 8.810 0.02 1 356 92 92 VAL C C 174.700 0.3 1 357 92 92 VAL CA C 61.100 0.3 1 358 92 92 VAL CB C 34.500 0.3 1 359 92 92 VAL N N 119.200 0.3 1 360 93 93 ILE H H 9.550 0.02 1 361 93 93 ILE C C 174.300 0.3 1 362 93 93 ILE CA C 61.100 0.3 1 363 93 93 ILE CB C 39.900 0.3 1 364 93 93 ILE N N 128.900 0.3 1 365 94 94 GLN H H 9.230 0.02 1 366 94 94 GLN C C 174.600 0.3 1 367 94 94 GLN CA C 54.200 0.3 1 368 94 94 GLN CB C 32.700 0.3 1 369 94 94 GLN N N 125.400 0.3 1 370 95 95 SER H H 8.990 0.02 1 371 95 95 SER C C 173.800 0.3 1 372 95 95 SER CA C 55.600 0.3 1 373 95 95 SER CB C 65.200 0.3 1 374 95 95 SER N N 116.300 0.3 1 375 96 96 ASN H H 9.150 0.02 1 376 96 96 ASN C C 175.100 0.3 1 377 96 96 ASN CA C 55.300 0.3 1 378 96 96 ASN CB C 35.800 0.3 1 379 96 96 ASN N N 121.200 0.3 1 380 97 97 VAL H H 7.520 0.02 1 381 97 97 VAL C C 173.700 0.3 1 382 97 97 VAL CA C 57.700 0.3 1 383 97 97 VAL CB C 31.300 0.3 1 384 97 97 VAL N N 113.000 0.3 1 385 100 100 VAL C C 175.200 0.3 1 386 100 100 VAL CA C 64.000 0.3 1 387 100 100 VAL CB C 30.200 0.3 1 388 101 101 VAL H H 8.420 0.02 1 389 101 101 VAL C C 174.900 0.3 1 390 101 101 VAL CA C 59.700 0.3 1 391 101 101 VAL CB C 33.100 0.3 1 392 101 101 VAL N N 116.200 0.3 1 393 102 102 GLN H H 8.730 0.02 1 394 102 102 GLN C C 172.100 0.3 1 395 102 102 GLN CA C 54.700 0.3 1 396 102 102 GLN CB C 33.300 0.3 1 397 102 102 GLN N N 128.700 0.3 1 398 103 103 HIS H H 9.180 0.02 1 399 103 103 HIS C C 173.600 0.3 1 400 103 103 HIS CA C 53.800 0.3 1 401 103 103 HIS CB C 34.600 0.3 1 402 103 103 HIS N N 130.000 0.3 1 403 116 116 LEU H H 7.970 0.02 1 404 116 116 LEU C C 175.800 0.3 1 405 116 116 LEU CA C 54.000 0.3 1 406 116 116 LEU CB C 42.400 0.3 1 407 116 116 LEU N N 112.900 0.3 1 408 117 117 SER H H 8.520 0.02 1 409 117 117 SER C C 173.100 0.3 1 410 117 117 SER CA C 57.800 0.3 1 411 117 117 SER CB C 67.500 0.3 1 412 117 117 SER N N 114.400 0.3 1 413 118 118 THR H H 9.390 0.02 1 414 118 118 THR C C 174.000 0.3 1 415 118 118 THR CA C 60.100 0.3 1 416 118 118 THR CB C 70.400 0.3 1 417 118 118 THR N N 118.000 0.3 1 418 119 119 ILE H H 8.260 0.02 1 419 119 119 ILE C C 177.800 0.3 1 420 119 119 ILE CA C 61.700 0.3 1 421 119 119 ILE CB C 35.100 0.3 1 422 119 119 ILE N N 133.200 0.3 1 423 120 120 ALA H H 8.440 0.02 1 424 120 120 ALA C C 174.100 0.3 1 425 120 120 ALA CA C 52.200 0.3 1 426 120 120 ALA CB C 18.800 0.3 1 427 120 120 ALA N N 131.600 0.3 1 428 121 121 TYR H H 8.780 0.02 1 429 121 121 TYR C C 174.000 0.3 1 430 121 121 TYR CA C 58.500 0.3 1 431 121 121 TYR CB C 38.700 0.3 1 432 121 121 TYR N N 117.100 0.3 1 433 122 122 ALA H H 7.560 0.02 1 434 122 122 ALA C C 175.600 0.3 1 435 122 122 ALA CA C 49.700 0.3 1 436 122 122 ALA CB C 16.800 0.3 1 437 122 122 ALA N N 132.100 0.3 1 438 123 123 ASN H H 8.070 0.02 1 439 123 123 ASN C C 174.700 0.3 1 440 123 123 ASN CA C 53.200 0.3 1 441 123 123 ASN CB C 39.700 0.3 1 442 123 123 ASN N N 120.900 0.3 1 443 124 124 THR H H 7.350 0.02 1 444 124 124 THR C C 179.000 0.3 1 445 124 124 THR CA C 62.800 0.3 1 446 124 124 THR CB C 70.500 0.3 1 447 124 124 THR N N 121.400 0.3 1 stop_ save_