data_19416 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of Rrp7 C-terminal Domain ; _BMRB_accession_number 19416 _BMRB_flat_file_name bmr19416.str _Entry_type original _Submission_date 2013-08-08 _Accession_date 2013-08-08 _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 Lin Jinzhong . . 2 Feng Yingang . . 3 Ye Keqiong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 318 "13C chemical shifts" 218 "15N chemical shifts" 49 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-03 update BMRB 'update entry citation' 2013-09-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An RNA-binding complex involved in ribosome biogenesis contains a protein with homology to tRNA CCA-adding enzyme.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24130456 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Jinzhong . . 2 Lu Jing . . 3 Feng Yingang . . 4 Sun Mengyi . . 5 Ye Keqiong . . stop_ _Journal_abbreviation 'PLoS Biol.' _Journal_name_full 'PLoS biology' _Journal_volume 11 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rrp7 C-terminal Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rrp7 C-terminal Domain' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 5732.697 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GPEADFYRFQVRERKKQEIN QLLSKFKEDQERIKVMKAKR KFNPYT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 252 GLY 2 253 PRO 3 254 GLU 4 255 ALA 5 256 ASP 6 257 PHE 7 258 TYR 8 259 ARG 9 260 PHE 10 261 GLN 11 262 VAL 12 263 ARG 13 264 GLU 14 265 ARG 15 266 LYS 16 267 LYS 17 268 GLN 18 269 GLU 19 270 ILE 20 271 ASN 21 272 GLN 22 273 LEU 23 274 LEU 24 275 SER 25 276 LYS 26 277 PHE 27 278 LYS 28 279 GLU 29 280 ASP 30 281 GLN 31 282 GLU 32 283 ARG 33 284 ILE 34 285 LYS 35 286 VAL 36 287 MET 37 288 LYS 38 289 ALA 39 290 LYS 40 291 ARG 41 292 LYS 42 293 PHE 43 294 ASN 44 295 PRO 45 296 TYR 46 297 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 PDB 2MBY "Nmr Structure Of Rrp7 C-terminal Domain" 100.00 46 100.00 100.00 3.99e-23 PDB 4M5D "Crystal Structure Of The Utp22 And Rrp7 Complex From Saccharomyces Cerevisiae" 91.30 297 100.00 100.00 1.02e-18 DBJ GAA21887 "K7_Rrp7p [Saccharomyces cerevisiae Kyokai no. 7]" 91.30 297 100.00 100.00 1.02e-18 EMBL CAA42385 "hypothetical protein [Saccharomyces cerevisiae]" 91.30 297 100.00 100.00 1.02e-18 EMBL CAY78174 "Rrp7p [Saccharomyces cerevisiae EC1118]" 91.30 297 100.00 100.00 1.02e-18 GB AHN96030 "RRP7 [synthetic construct]" 91.30 297 100.00 100.00 1.02e-18 GB AHV79235 "RRP7 [synthetic construct]" 91.30 297 100.00 100.00 1.02e-18 GB AHY79656 "Rrp7p [Saccharomyces cerevisiae YJM993]" 91.30 297 100.00 100.00 1.02e-18 GB AJP37407 "Rrp7p [Saccharomyces cerevisiae YJM1078]" 91.30 297 100.00 100.00 1.02e-18 GB AJQ31893 "Rrp7p [Saccharomyces cerevisiae YJM1356]" 91.30 297 100.00 100.00 1.02e-18 REF NP_009899 "Rrp7p [Saccharomyces cerevisiae S288c]" 91.30 297 100.00 100.00 1.02e-18 SP P25368 "RecName: Full=Ribosomal RNA-processing protein 7" 91.30 297 100.00 100.00 1.02e-18 TPG DAA07453 "TPA: Rrp7p [Saccharomyces cerevisiae S288c]" 91.30 297 100.00 100.00 1.02e-18 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 'recombinant technology' . Escherichia coli . PETDuet 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 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 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_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_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_1 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.05 . M pH 6 . 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 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' '3D 1H-15N TOCSY' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' 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 'Rrp7 C-terminal Domain' _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 1 253 2 PRO HA H 4.4140 0.02 1 2 253 2 PRO HB2 H 2.2940 0.02 2 3 253 2 PRO HB3 H 1.9550 0.02 2 4 253 2 PRO HG2 H 2.0210 0.02 2 5 253 2 PRO HG3 H 2.0210 0.02 2 6 253 2 PRO HD2 H 3.5670 0.02 2 7 253 2 PRO HD3 H 3.6540 0.02 2 8 253 2 PRO C C 176.3100 0.3 1 9 253 2 PRO CA C 63.8100 0.3 1 10 253 2 PRO CB C 31.9900 0.3 1 11 253 2 PRO CG C 27.1200 0.3 1 12 253 2 PRO CD C 49.8200 0.3 1 13 254 3 GLU H H 8.8860 0.02 1 14 254 3 GLU HA H 4.1680 0.02 1 15 254 3 GLU HB2 H 1.9800 0.02 2 16 254 3 GLU HB3 H 2.0700 0.02 2 17 254 3 GLU HG2 H 2.2800 0.02 2 18 254 3 GLU HG3 H 2.3400 0.02 2 19 254 3 GLU C C 176.6800 0.3 1 20 254 3 GLU CA C 57.6400 0.3 1 21 254 3 GLU CB C 29.1900 0.3 1 22 254 3 GLU CG C 36.3100 0.3 1 23 254 3 GLU N N 120.7800 0.2 1 24 255 4 ALA H H 8.2040 0.02 1 25 255 4 ALA HA H 4.2710 0.02 1 26 255 4 ALA HB H 1.4080 0.02 1 27 255 4 ALA C C 175.1400 0.3 1 28 255 4 ALA CA C 53.2233 0.3 1 29 255 4 ALA CB C 19.0000 0.3 1 30 255 4 ALA N N 124.0250 0.2 1 31 256 5 ASP H H 8.1230 0.02 1 32 256 5 ASP HA H 4.4830 0.02 1 33 256 5 ASP HB2 H 2.6140 0.02 2 34 256 5 ASP HB3 H 2.6140 0.02 2 35 256 5 ASP C C 176.6500 0.3 1 36 256 5 ASP CA C 55.2323 0.3 1 37 256 5 ASP CB C 40.5583 0.3 1 38 256 5 ASP N N 119.0900 0.2 1 39 257 6 PHE H H 8.0700 0.02 1 40 257 6 PHE HA H 4.3920 0.02 1 41 257 6 PHE HB2 H 2.9870 0.02 2 42 257 6 PHE HB3 H 3.0810 0.02 2 43 257 6 PHE HD1 H 7.0315 0.02 3 44 257 6 PHE HD2 H 7.0315 0.02 3 45 257 6 PHE HE1 H 7.2810 0.02 3 46 257 6 PHE HE2 H 7.2810 0.02 3 47 257 6 PHE C C 177.0300 0.3 1 48 257 6 PHE CA C 59.4500 0.3 1 49 257 6 PHE CB C 39.0100 0.3 1 50 257 6 PHE CD1 C 131.5600 0.3 3 51 257 6 PHE CD2 C 131.5600 0.3 3 52 257 6 PHE N N 120.6500 0.2 1 53 258 7 TYR H H 7.9610 0.02 1 54 258 7 TYR HA H 4.3210 0.02 1 55 258 7 TYR HB2 H 2.9830 0.02 2 56 258 7 TYR HB3 H 3.0720 0.02 2 57 258 7 TYR HD1 H 7.1330 0.02 3 58 258 7 TYR HD2 H 7.1330 0.02 3 59 258 7 TYR HE1 H 6.8500 0.02 3 60 258 7 TYR HE2 H 6.8500 0.02 3 61 258 7 TYR C C 176.9700 0.3 1 62 258 7 TYR CA C 59.4900 0.3 1 63 258 7 TYR CB C 38.0750 0.3 1 64 258 7 TYR CD1 C 133.2100 0.3 3 65 258 7 TYR CD2 C 133.2100 0.3 3 66 258 7 TYR CE1 C 118.3500 0.3 3 67 258 7 TYR CE2 C 118.3500 0.3 3 68 258 7 TYR N N 119.4600 0.2 1 69 259 8 ARG H H 7.8790 0.02 1 70 259 8 ARG HA H 4.0200 0.02 1 71 259 8 ARG HB2 H 1.6670 0.02 2 72 259 8 ARG HB3 H 1.6670 0.02 2 73 259 8 ARG HG2 H 1.3860 0.02 2 74 259 8 ARG HG3 H 1.4420 0.02 2 75 259 8 ARG HD2 H 3.1070 0.02 2 76 259 8 ARG HD3 H 3.1070 0.02 2 77 259 8 ARG C C 176.6000 0.3 1 78 259 8 ARG CA C 57.5700 0.3 1 79 259 8 ARG CB C 30.2600 0.3 1 80 259 8 ARG CG C 27.2400 0.3 1 81 259 8 ARG CD C 43.3700 0.3 1 82 259 8 ARG N N 120.1990 0.2 1 83 260 9 PHE H H 7.9450 0.02 1 84 260 9 PHE HA H 4.4930 0.02 1 85 260 9 PHE HB2 H 3.0430 0.02 2 86 260 9 PHE HB3 H 3.2000 0.02 2 87 260 9 PHE HD1 H 7.2190 0.02 3 88 260 9 PHE HD2 H 7.2000 0.02 3 89 260 9 PHE C C 177.4300 0.3 1 90 260 9 PHE CA C 58.6900 0.3 1 91 260 9 PHE CB C 38.9600 0.3 1 92 260 9 PHE CD1 C 131.5670 0.3 3 93 260 9 PHE CD2 C 131.5670 0.3 3 94 260 9 PHE N N 119.4600 0.2 1 95 261 10 GLN H H 8.0620 0.02 1 96 261 10 GLN HA H 4.1370 0.02 1 97 261 10 GLN HB2 H 1.9820 0.02 2 98 261 10 GLN HB3 H 1.9820 0.02 2 99 261 10 GLN HG2 H 2.2400 0.02 2 100 261 10 GLN HG3 H 2.2400 0.02 2 101 261 10 GLN HE21 H 7.3520 0.02 2 102 261 10 GLN HE22 H 6.8610 0.02 2 103 261 10 GLN C C 176.8600 0.3 1 104 261 10 GLN CA C 56.9400 0.3 1 105 261 10 GLN CB C 29.3400 0.3 1 106 261 10 GLN CG C 33.9400 0.3 1 107 261 10 GLN N N 120.5300 0.2 1 108 261 10 GLN NE2 N 112.3600 0.2 1 109 262 11 VAL H H 8.0470 0.02 1 110 262 11 VAL HA H 3.8810 0.02 1 111 262 11 VAL HB H 2.0320 0.02 1 112 262 11 VAL HG1 H 0.9030 0.02 2 113 262 11 VAL HG2 H 0.9030 0.02 2 114 262 11 VAL C C 176.7240 0.3 1 115 262 11 VAL CA C 63.8100 0.3 1 116 262 11 VAL CB C 32.1080 0.3 1 117 262 11 VAL CG1 C 21.2800 0.3 2 118 262 11 VAL CG2 C 21.2800 0.3 2 119 262 11 VAL N N 120.7800 0.2 1 120 263 12 ARG H H 8.1530 0.02 1 121 263 12 ARG HA H 4.2080 0.02 1 122 263 12 ARG HB2 H 1.8270 0.02 2 123 263 12 ARG HB3 H 1.8270 0.02 2 124 263 12 ARG HG2 H 1.6000 0.02 2 125 263 12 ARG HG3 H 1.6600 0.02 2 126 263 12 ARG HD2 H 3.1750 0.02 2 127 263 12 ARG HD3 H 3.1750 0.02 2 128 263 12 ARG C C 176.4500 0.3 1 129 263 12 ARG CA C 57.3700 0.3 1 130 263 12 ARG CB C 30.7000 0.3 1 131 263 12 ARG CG C 27.2300 0.3 1 132 263 12 ARG CD C 43.5500 0.3 1 133 263 12 ARG N N 123.1800 0.2 1 134 264 13 GLU H H 8.3210 0.02 1 135 264 13 GLU HA H 4.1680 0.02 1 136 264 13 GLU HB2 H 2.0290 0.02 2 137 264 13 GLU HB3 H 1.8690 0.02 2 138 264 13 GLU HG2 H 2.2860 0.02 2 139 264 13 GLU HG3 H 2.2860 0.02 2 140 264 13 GLU C C 176.4800 0.3 1 141 264 13 GLU CA C 57.3500 0.3 1 142 264 13 GLU CB C 30.0960 0.3 1 143 264 13 GLU CG C 36.2600 0.3 1 144 264 13 GLU N N 121.3060 0.2 1 145 265 14 ARG H H 8.2680 0.02 1 146 265 14 ARG HA H 4.2380 0.02 1 147 265 14 ARG HB2 H 1.8270 0.02 2 148 265 14 ARG HB3 H 1.8270 0.02 2 149 265 14 ARG HG2 H 1.6011 0.02 2 150 265 14 ARG HG3 H 1.6677 0.02 2 151 265 14 ARG HD2 H 3.1790 0.02 2 152 265 14 ARG HD3 H 3.1790 0.02 2 153 265 14 ARG C C 176.4800 0.3 1 154 265 14 ARG CA C 57.0500 0.3 1 155 265 14 ARG CB C 30.3000 0.3 1 156 265 14 ARG CG C 27.2300 0.3 1 157 265 14 ARG CD C 43.5200 0.3 1 158 265 14 ARG N N 122.1580 0.2 1 159 266 15 LYS H H 8.2790 0.02 1 160 266 15 LYS HA H 4.2450 0.02 1 161 266 15 LYS HB2 H 1.8340 0.02 2 162 266 15 LYS HB3 H 1.8340 0.02 2 163 266 15 LYS HG2 H 1.4150 0.02 2 164 266 15 LYS HG3 H 1.4150 0.02 2 165 266 15 LYS HD2 H 1.6810 0.02 2 166 266 15 LYS HD3 H 1.6810 0.02 2 167 266 15 LYS HE2 H 2.9790 0.02 2 168 266 15 LYS HE3 H 2.9790 0.02 2 169 266 15 LYS C C 176.2800 0.3 1 170 266 15 LYS CA C 57.0600 0.3 1 171 266 15 LYS CB C 32.6000 0.3 1 172 266 15 LYS CG C 24.9400 0.3 1 173 266 15 LYS CD C 29.2100 0.3 1 174 266 15 LYS CE C 42.2230 0.3 1 175 266 15 LYS N N 121.8340 0.2 1 176 267 16 LYS H H 8.2180 0.02 1 177 267 16 LYS HA H 4.1660 0.02 1 178 267 16 LYS HB2 H 1.8180 0.02 2 179 267 16 LYS HB3 H 1.8180 0.02 2 180 267 16 LYS HG2 H 1.4150 0.02 2 181 267 16 LYS HG3 H 1.4150 0.02 2 182 267 16 LYS HD2 H 1.6810 0.02 2 183 267 16 LYS HD3 H 1.6810 0.02 2 184 267 16 LYS HE2 H 2.9790 0.02 2 185 267 16 LYS HE3 H 2.9790 0.02 2 186 267 16 LYS C C 176.3300 0.3 1 187 267 16 LYS CA C 57.3000 0.3 1 188 267 16 LYS CB C 32.7200 0.3 1 189 267 16 LYS CG C 24.9400 0.3 1 190 267 16 LYS CD C 29.2100 0.3 1 191 267 16 LYS CE C 42.2230 0.3 1 192 267 16 LYS N N 121.8880 0.2 1 193 268 17 GLN H H 8.3000 0.02 1 194 268 17 GLN HA H 4.2670 0.02 1 195 268 17 GLN HB2 H 2.0640 0.02 2 196 268 17 GLN HB3 H 2.0640 0.02 2 197 268 17 GLN HG2 H 2.3580 0.02 2 198 268 17 GLN HG3 H 2.3580 0.02 2 199 268 17 GLN HE21 H 7.5810 0.02 2 200 268 17 GLN HE22 H 6.8770 0.02 2 201 268 17 GLN C C 176.9100 0.3 1 202 268 17 GLN CA C 56.8700 0.3 1 203 268 17 GLN CB C 29.0900 0.3 1 204 268 17 GLN CG C 33.8800 0.3 1 205 268 17 GLN N N 120.5250 0.2 1 206 268 17 GLN NE2 N 112.3280 0.2 1 207 269 18 GLU H H 8.3320 0.02 1 208 269 18 GLU HA H 4.2490 0.02 1 209 269 18 GLU HB2 H 2.0430 0.02 2 210 269 18 GLU HB3 H 2.0430 0.02 2 211 269 18 GLU HG2 H 2.3000 0.02 2 212 269 18 GLU HG3 H 2.3000 0.02 2 213 269 18 GLU C C 176.1900 0.3 1 214 269 18 GLU CA C 57.4000 0.3 1 215 269 18 GLU CB C 30.1280 0.3 1 216 269 18 GLU CG C 36.3600 0.3 1 217 269 18 GLU N N 122.1330 0.2 1 218 270 19 ILE H H 8.1800 0.02 1 219 270 19 ILE HA H 4.0440 0.02 1 220 270 19 ILE HB H 1.8900 0.02 1 221 270 19 ILE HG12 H 1.2030 0.02 2 222 270 19 ILE HG13 H 1.5190 0.02 2 223 270 19 ILE HG2 H 0.9060 0.02 1 224 270 19 ILE HD1 H 0.8480 0.02 1 225 270 19 ILE C C 176.8680 0.3 1 226 270 19 ILE CA C 62.6000 0.3 1 227 270 19 ILE CB C 38.5400 0.3 1 228 270 19 ILE CG1 C 27.9190 0.3 1 229 270 19 ILE CG2 C 17.3880 0.3 1 230 270 19 ILE CD1 C 12.9480 0.3 1 231 270 19 ILE N N 121.3300 0.2 1 232 271 20 ASN H H 8.4030 0.02 1 233 271 20 ASN HA H 4.6320 0.02 1 234 271 20 ASN HB2 H 2.8390 0.02 2 235 271 20 ASN HB3 H 2.8390 0.02 2 236 271 20 ASN HD21 H 7.6640 0.02 2 237 271 20 ASN HD22 H 6.9440 0.02 2 238 271 20 ASN C C 177.1630 0.3 1 239 271 20 ASN CA C 54.1190 0.3 1 240 271 20 ASN CB C 38.5140 0.3 1 241 271 20 ASN N N 121.1930 0.2 1 242 271 20 ASN ND2 N 112.5600 0.2 1 243 272 21 GLN H H 8.3830 0.02 1 244 272 21 GLN HA H 4.2380 0.02 1 245 272 21 GLN HB2 H 2.0930 0.02 2 246 272 21 GLN HB3 H 2.0930 0.02 2 247 272 21 GLN HG2 H 2.3740 0.02 2 248 272 21 GLN HG3 H 2.3740 0.02 2 249 272 21 GLN HE21 H 7.5360 0.02 2 250 272 21 GLN HE22 H 6.8890 0.02 2 251 272 21 GLN C C 176.5550 0.3 1 252 272 21 GLN CA C 57.2160 0.3 1 253 272 21 GLN CB C 29.0630 0.3 1 254 272 21 GLN CG C 33.9110 0.3 1 255 272 21 GLN N N 121.2520 0.2 1 256 272 21 GLN NE2 N 112.1770 0.2 1 257 273 22 LEU H H 8.1140 0.02 1 258 273 22 LEU HA H 4.2440 0.02 1 259 273 22 LEU HB2 H 1.6220 0.02 2 260 273 22 LEU HB3 H 1.7660 0.02 2 261 273 22 LEU HG H 1.6760 0.02 1 262 273 22 LEU HD1 H 0.8750 0.02 2 263 273 22 LEU HD2 H 0.9360 0.02 2 264 273 22 LEU C C 175.1600 0.3 1 265 273 22 LEU CA C 56.6100 0.3 1 266 273 22 LEU CB C 41.9400 0.3 1 267 273 22 LEU CG C 27.0200 0.3 1 268 273 22 LEU CD1 C 23.4800 0.3 2 269 273 22 LEU CD2 C 24.9000 0.3 2 270 273 22 LEU N N 121.8920 0.2 1 271 274 23 LEU H H 8.0920 0.02 1 272 274 23 LEU HA H 4.3090 0.02 1 273 274 23 LEU HB2 H 1.6270 0.02 2 274 274 23 LEU HB3 H 1.7130 0.02 2 275 274 23 LEU HG H 1.6610 0.02 1 276 274 23 LEU HD1 H 0.8770 0.02 2 277 274 23 LEU HD2 H 0.9380 0.02 2 278 274 23 LEU C C 175.1400 0.3 1 279 274 23 LEU CA C 56.2000 0.3 1 280 274 23 LEU CB C 42.1000 0.3 1 281 274 23 LEU CG C 27.0200 0.3 1 282 274 23 LEU CD1 C 23.3100 0.3 2 283 274 23 LEU CD2 C 24.7700 0.3 2 284 274 23 LEU N N 121.1600 0.2 1 285 275 24 SER H H 8.1340 0.02 1 286 275 24 SER HA H 4.3210 0.02 1 287 275 24 SER HB2 H 3.9240 0.02 2 288 275 24 SER HB3 H 3.9240 0.02 2 289 275 24 SER C C 178.0200 0.3 1 290 275 24 SER CA C 59.8870 0.3 1 291 275 24 SER CB C 63.3500 0.3 1 292 275 24 SER N N 115.7550 0.2 1 293 276 25 LYS H H 8.0880 0.02 1 294 276 25 LYS HA H 4.2060 0.02 1 295 276 25 LYS HB2 H 1.7910 0.02 2 296 276 25 LYS HB3 H 1.7910 0.02 2 297 276 25 LYS HG2 H 1.3780 0.02 2 298 276 25 LYS HG3 H 1.4930 0.02 2 299 276 25 LYS HD2 H 1.6800 0.02 2 300 276 25 LYS HD3 H 1.6800 0.02 2 301 276 25 LYS HE2 H 2.9790 0.02 2 302 276 25 LYS HE3 H 2.9790 0.02 2 303 276 25 LYS C C 176.5000 0.3 1 304 276 25 LYS CA C 57.5900 0.3 1 305 276 25 LYS CB C 32.4300 0.3 1 306 276 25 LYS CG C 24.8700 0.3 1 307 276 25 LYS CD C 29.0900 0.3 1 308 276 25 LYS CE C 42.3600 0.3 1 309 276 25 LYS N N 123.0000 0.2 1 310 277 26 PHE H H 8.0880 0.02 1 311 277 26 PHE HA H 4.5550 0.02 1 312 277 26 PHE HB2 H 3.1230 0.02 2 313 277 26 PHE HB3 H 3.1960 0.02 2 314 277 26 PHE HD1 H 7.2780 0.02 3 315 277 26 PHE C C 176.8000 0.3 1 316 277 26 PHE CA C 59.2200 0.3 1 317 277 26 PHE CB C 39.0900 0.3 1 318 277 26 PHE CD1 C 132.7500 0.3 3 319 277 26 PHE N N 120.1600 0.2 1 320 278 27 LYS H H 8.1660 0.02 1 321 278 27 LYS HA H 4.1020 0.02 1 322 278 27 LYS HB2 H 1.8800 0.02 2 323 278 27 LYS HB3 H 1.8800 0.02 2 324 278 27 LYS HG2 H 1.4140 0.02 2 325 278 27 LYS HG3 H 1.5210 0.02 2 326 278 27 LYS HD2 H 1.6920 0.02 2 327 278 27 LYS HD3 H 1.6920 0.02 2 328 278 27 LYS HE2 H 2.9850 0.02 2 329 278 27 LYS HE3 H 2.9850 0.02 2 330 278 27 LYS C C 175.8000 0.3 1 331 278 27 LYS CA C 58.0400 0.3 1 332 278 27 LYS CB C 32.8600 0.3 1 333 278 27 LYS CG C 25.1700 0.3 1 334 278 27 LYS CD C 29.3500 0.3 1 335 278 27 LYS CE C 42.2000 0.3 1 336 278 27 LYS N N 121.3800 0.2 1 337 279 28 GLU H H 8.3020 0.02 1 338 279 28 GLU HA H 4.1460 0.02 1 339 279 28 GLU HB2 H 2.0710 0.02 2 340 279 28 GLU HB3 H 2.0710 0.02 2 341 279 28 GLU HG2 H 2.3100 0.02 2 342 279 28 GLU HG3 H 2.3100 0.02 2 343 279 28 GLU C C 175.6900 0.3 1 344 279 28 GLU CA C 58.1600 0.3 1 345 279 28 GLU CB C 29.8500 0.3 1 346 279 28 GLU CG C 36.4000 0.3 1 347 279 28 GLU N N 121.0490 0.2 1 348 280 29 ASP H H 8.4460 0.02 1 349 280 29 ASP HA H 4.5110 0.02 1 350 280 29 ASP HB2 H 2.6860 0.02 2 351 280 29 ASP HB3 H 2.7440 0.02 2 352 280 29 ASP C C 175.7700 0.3 1 353 280 29 ASP CA C 56.0500 0.3 1 354 280 29 ASP CB C 40.6000 0.3 1 355 280 29 ASP N N 121.2320 0.2 1 356 281 30 GLN H H 8.2320 0.02 1 357 281 30 GLN HA H 4.0510 0.02 1 358 281 30 GLN HB2 H 2.0700 0.02 2 359 281 30 GLN HB3 H 2.0700 0.02 2 360 281 30 GLN HG2 H 2.2360 0.02 2 361 281 30 GLN HG3 H 2.2360 0.02 2 362 281 30 GLN HE21 H 7.3970 0.02 2 363 281 30 GLN HE22 H 6.8850 0.02 2 364 281 30 GLN C C 175.5500 0.3 1 365 281 30 GLN CA C 57.6400 0.3 1 366 281 30 GLN CB C 28.7800 0.3 1 367 281 30 GLN CG C 33.8300 0.3 1 368 281 30 GLN N N 119.4400 0.2 1 369 281 30 GLN NE2 N 113.4400 0.2 1 370 282 31 GLU H H 8.1900 0.02 1 371 282 31 GLU HA H 4.1320 0.02 1 372 282 31 GLU HB2 H 2.0850 0.02 2 373 282 31 GLU HB3 H 2.0850 0.02 2 374 282 31 GLU HG2 H 2.3240 0.02 2 375 282 31 GLU HG3 H 2.3240 0.02 2 376 282 31 GLU C C 175.8200 0.3 1 377 282 31 GLU CA C 58.0600 0.3 1 378 282 31 GLU CB C 29.1900 0.3 1 379 282 31 GLU CG C 36.4000 0.3 1 380 282 31 GLU N N 120.3200 0.2 1 381 283 32 ARG H H 7.9660 0.02 1 382 283 32 ARG HA H 4.1390 0.02 1 383 283 32 ARG HB2 H 1.9090 0.02 2 384 283 32 ARG HB3 H 1.9090 0.02 2 385 283 32 ARG HG2 H 1.6150 0.02 2 386 283 32 ARG HG3 H 1.7030 0.02 2 387 283 32 ARG HD2 H 3.2200 0.02 2 388 283 32 ARG HD3 H 3.2200 0.02 2 389 283 32 ARG C C 175.5600 0.3 1 390 283 32 ARG CA C 58.3800 0.3 1 391 283 32 ARG CB C 30.0500 0.3 1 392 283 32 ARG CG C 27.3320 0.3 1 393 283 32 ARG CD C 43.3300 0.3 1 394 283 32 ARG N N 120.2030 0.2 1 395 284 33 ILE H H 7.8450 0.02 1 396 284 33 ILE HA H 3.9240 0.02 1 397 284 33 ILE HB H 1.8880 0.02 1 398 284 33 ILE HG12 H 1.1800 0.02 2 399 284 33 ILE HG13 H 1.5600 0.02 2 400 284 33 ILE HG2 H 0.9040 0.02 1 401 284 33 ILE HD1 H 0.8340 0.02 1 402 284 33 ILE C C 176.3600 0.3 1 403 284 33 ILE CA C 63.0600 0.3 1 404 284 33 ILE CB C 38.1500 0.3 1 405 284 33 ILE CG1 C 28.0200 0.3 1 406 284 33 ILE CG2 C 17.4200 0.3 1 407 284 33 ILE CD1 C 12.9700 0.3 1 408 284 33 ILE N N 119.6630 0.2 1 409 285 34 LYS H H 7.9160 0.02 1 410 285 34 LYS HA H 4.1170 0.02 1 411 285 34 LYS HB2 H 1.8810 0.02 2 412 285 34 LYS HB3 H 1.8810 0.02 2 413 285 34 LYS HG2 H 1.4090 0.02 2 414 285 34 LYS HG3 H 1.5260 0.02 2 415 285 34 LYS HD2 H 1.6840 0.02 2 416 285 34 LYS HD3 H 1.6840 0.02 2 417 285 34 LYS HE2 H 2.9740 0.02 2 418 285 34 LYS HE3 H 2.9740 0.02 2 419 285 34 LYS C C 175.3300 0.3 1 420 285 34 LYS CA C 58.5200 0.3 1 421 285 34 LYS CB C 32.6500 0.3 1 422 285 34 LYS CG C 24.9300 0.3 1 423 285 34 LYS CD C 29.3300 0.3 1 424 285 34 LYS CE C 42.2200 0.3 1 425 285 34 LYS N N 122.3340 0.2 1 426 286 35 VAL H H 7.9820 0.02 1 427 286 35 VAL HA H 3.9500 0.02 1 428 286 35 VAL HB H 2.1160 0.02 1 429 286 35 VAL HG1 H 0.9430 0.02 2 430 286 35 VAL HG2 H 1.0180 0.02 2 431 286 35 VAL C C 176.2500 0.3 1 432 286 35 VAL CA C 64.2000 0.3 1 433 286 35 VAL CB C 32.3000 0.3 1 434 286 35 VAL CG1 C 21.4560 0.3 2 435 286 35 VAL CG2 C 21.4560 0.3 2 436 286 35 VAL N N 119.9600 0.2 1 437 287 36 MET H H 8.1690 0.02 1 438 287 36 MET HA H 4.3320 0.02 1 439 287 36 MET HB2 H 2.1160 0.02 2 440 287 36 MET HB3 H 2.1160 0.02 2 441 287 36 MET HG2 H 2.5700 0.02 2 442 287 36 MET HG3 H 2.6740 0.02 2 443 287 36 MET HE H 2.0880 0.02 1 444 287 36 MET C C 176.0500 0.3 1 445 287 36 MET CA C 56.8800 0.3 1 446 287 36 MET CB C 32.4500 0.3 1 447 287 36 MET CG C 32.0600 0.3 1 448 287 36 MET CE C 16.9580 0.3 1 449 287 36 MET N N 121.8300 0.2 1 450 288 37 LYS H H 8.2500 0.02 1 451 288 37 LYS HA H 4.1690 0.02 1 452 288 37 LYS HB2 H 1.8430 0.02 2 453 288 37 LYS HB3 H 1.8430 0.02 2 454 288 37 LYS HG2 H 1.4020 0.02 2 455 288 37 LYS HG3 H 1.4020 0.02 2 456 288 37 LYS HD2 H 1.6810 0.02 2 457 288 37 LYS HD3 H 1.6810 0.02 2 458 288 37 LYS HE2 H 2.9750 0.02 2 459 288 37 LYS HE3 H 2.9750 0.02 2 460 288 37 LYS C C 176.4000 0.3 1 461 288 37 LYS CA C 57.3600 0.3 1 462 288 37 LYS CB C 32.8200 0.3 1 463 288 37 LYS CG C 25.0000 0.3 1 464 288 37 LYS CD C 29.2000 0.3 1 465 288 37 LYS CE C 42.3000 0.3 1 466 288 37 LYS N N 121.1400 0.2 1 467 289 38 ALA H H 7.9840 0.02 1 468 289 38 ALA HA H 4.2650 0.02 1 469 289 38 ALA HB H 1.4330 0.02 1 470 289 38 ALA C C 175.3800 0.3 1 471 289 38 ALA CA C 53.2500 0.3 1 472 289 38 ALA CB C 19.0000 0.3 1 473 289 38 ALA N N 123.4700 0.2 1 474 290 39 LYS H H 8.0840 0.02 1 475 290 39 LYS HA H 4.2580 0.02 1 476 290 39 LYS HB2 H 1.8360 0.02 2 477 290 39 LYS HB3 H 1.8360 0.02 2 478 290 39 LYS HG2 H 1.4170 0.02 2 479 290 39 LYS HG3 H 1.4170 0.02 2 480 290 39 LYS HD2 H 1.6880 0.02 2 481 290 39 LYS HD3 H 1.6880 0.02 2 482 290 39 LYS HE2 H 2.9830 0.02 2 483 290 39 LYS HE3 H 2.9830 0.02 2 484 290 39 LYS C C 176.7200 0.3 1 485 290 39 LYS CA C 56.8660 0.3 1 486 290 39 LYS CB C 32.8800 0.3 1 487 290 39 LYS CG C 25.0000 0.3 1 488 290 39 LYS CD C 29.1200 0.3 1 489 290 39 LYS CE C 42.1700 0.3 1 490 290 39 LYS N N 119.7070 0.2 1 491 291 40 ARG H H 8.1210 0.02 1 492 291 40 ARG HA H 4.2600 0.02 1 493 291 40 ARG HB2 H 1.8070 0.02 2 494 291 40 ARG HB3 H 1.8070 0.02 2 495 291 40 ARG HG2 H 1.6350 0.02 2 496 291 40 ARG HG3 H 1.6350 0.02 2 497 291 40 ARG HD2 H 3.1860 0.02 2 498 291 40 ARG HD3 H 3.1860 0.02 2 499 291 40 ARG C C 177.4220 0.3 1 500 291 40 ARG CA C 56.4900 0.3 1 501 291 40 ARG CB C 30.7700 0.3 1 502 291 40 ARG CG C 27.1600 0.3 1 503 291 40 ARG CD C 43.4400 0.3 1 504 291 40 ARG N N 121.4780 0.2 1 505 292 41 LYS H H 8.2300 0.02 1 506 292 41 LYS HA H 4.2580 0.02 1 507 292 41 LYS HB2 H 1.7200 0.02 2 508 292 41 LYS HB3 H 1.7200 0.02 2 509 292 41 LYS HG2 H 1.4430 0.02 2 510 292 41 LYS HG3 H 1.4430 0.02 2 511 292 41 LYS HD2 H 1.6850 0.02 2 512 292 41 LYS HD3 H 1.6850 0.02 2 513 292 41 LYS HE2 H 2.9850 0.02 2 514 292 41 LYS HE3 H 2.9850 0.02 2 515 292 41 LYS C C 177.4700 0.3 1 516 292 41 LYS CA C 56.6400 0.3 1 517 292 41 LYS CB C 32.9800 0.3 1 518 292 41 LYS CG C 24.8300 0.3 1 519 292 41 LYS CD C 29.0900 0.3 1 520 292 41 LYS CE C 42.1700 0.3 1 521 292 41 LYS N N 122.3200 0.2 1 522 293 42 PHE H H 8.2410 0.02 1 523 293 42 PHE HA H 4.5760 0.02 1 524 293 42 PHE HB2 H 3.0300 0.02 2 525 293 42 PHE HB3 H 3.0300 0.02 2 526 293 42 PHE HD1 H 7.2170 0.02 3 527 293 42 PHE HD2 H 7.2170 0.02 3 528 293 42 PHE HE1 H 7.3310 0.02 3 529 293 42 PHE HE2 H 7.3310 0.02 3 530 293 42 PHE C C 178.8900 0.3 1 531 293 42 PHE CA C 57.6500 0.3 1 532 293 42 PHE CB C 39.7800 0.3 1 533 293 42 PHE CD1 C 131.5670 0.3 3 534 293 42 PHE CD2 C 131.5670 0.3 3 535 293 42 PHE CE1 C 131.7000 0.3 3 536 293 42 PHE CE2 C 131.7000 0.3 3 537 293 42 PHE N N 121.5800 0.2 1 538 294 43 ASN H H 8.2700 0.02 1 539 294 43 ASN HA H 4.9070 0.02 1 540 294 43 ASN HB2 H 2.6070 0.02 2 541 294 43 ASN HB3 H 2.7990 0.02 2 542 294 43 ASN HD21 H 7.5680 0.02 2 543 294 43 ASN HD22 H 6.9370 0.02 2 544 294 43 ASN C C 180.5700 0.3 1 545 294 43 ASN CA C 50.6900 0.3 1 546 294 43 ASN CB C 39.4100 0.3 1 547 294 43 ASN N N 122.5900 0.2 1 548 294 43 ASN ND2 N 112.7770 0.2 1 549 295 44 PRO HA H 4.2540 0.02 1 550 295 44 PRO HB2 H 2.0960 0.02 2 551 295 44 PRO HB3 H 1.6260 0.02 2 552 295 44 PRO HG2 H 1.5470 0.02 2 553 295 44 PRO HG3 H 1.8340 0.02 2 554 295 44 PRO HD2 H 3.4940 0.02 2 555 295 44 PRO HD3 H 3.5850 0.02 2 556 295 44 PRO C C 177.1100 0.3 1 557 295 44 PRO CA C 63.3500 0.3 1 558 295 44 PRO CB C 31.9400 0.3 1 559 295 44 PRO CG C 26.4400 0.3 1 560 295 44 PRO CD C 50.6400 0.3 1 561 296 45 TYR H H 8.0000 0.02 1 562 296 45 TYR HA H 4.6650 0.02 1 563 296 45 TYR HB2 H 2.9390 0.02 2 564 296 45 TYR HB3 H 3.2130 0.02 2 565 296 45 TYR HD1 H 7.1670 0.02 3 566 296 45 TYR HD2 H 7.1670 0.02 3 567 296 45 TYR HE1 H 6.8450 0.02 3 568 296 45 TYR HE2 H 6.8450 0.02 3 569 296 45 TYR C C 178.2400 0.3 1 570 296 45 TYR CA C 57.6500 0.3 1 571 296 45 TYR CB C 38.2400 0.3 1 572 296 45 TYR CD1 C 133.2530 0.3 3 573 296 45 TYR CD2 C 133.2530 0.3 3 574 296 45 TYR CE1 C 118.3450 0.3 3 575 296 45 TYR CE2 C 118.3450 0.3 3 576 296 45 TYR N N 119.2690 0.2 1 577 297 46 THR H H 7.5240 0.02 1 578 297 46 THR HA H 4.1230 0.02 1 579 297 46 THR HB H 4.2100 0.02 1 580 297 46 THR HG2 H 1.1450 0.02 1 581 297 46 THR C C 174.5400 0.3 1 582 297 46 THR CA C 63.2470 0.3 1 583 297 46 THR CB C 70.6700 0.3 1 584 297 46 THR CG2 C 21.9700 0.3 1 585 297 46 THR N N 119.6680 0.2 1 stop_ save_