data_50541 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C and 15N Chemical Shift Assignments for the Tubular Assembly of the Rous Sarcoma Virus Capsid Protein ; _BMRB_accession_number 50541 _BMRB_flat_file_name bmr50541.str _Entry_type original _Submission_date 2020-10-29 _Accession_date 2020-10-29 _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 Jeon Jaekyun . . 2 Qiao Xin . . 3 Hung Ivan . . 4 Mitra Alok K. . 5 Desfosses Ambroise . . 6 Huang Daniel . . 7 Gor'kov Peter L. . 8 Craven Rebecca C. . 9 Kingston Richard L. . 10 Gan Zhehong . . 11 Zhu Fangqiang . . 12 Chen Bo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 1042 "15N chemical shifts" 226 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-05 original BMRB . stop_ _Original_release_date 2020-10-29 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Model of the Tubular Assembly of the Rous Sarcoma Virus Capsid Protein. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28094514 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jeon Jaekyun . . 2 Qiao Xin . . 3 Hung Ivan . . 4 Mitra Alok K. . 5 Desfosses Ambroise . . 6 Huang Daniel . . 7 Gor'kov Peter L. . 8 Craven Rebecca C. . 9 Kingston Richard L. . 10 Gan Zhehong . . 11 Zhu Fangqiang . . 12 Chen Bo . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 139 _Journal_issue 5 _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2006 _Page_last 2013 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name hexamer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rous Sarcoma Virus Capsid Protein, Monomer 1' $entity_1 'Rous Sarcoma Virus Capsid Protein, Monomer 2' $entity_1 'Rous Sarcoma Virus Capsid Protein, Monomer 3' $entity_1 'Rous Sarcoma Virus Capsid Protein, Monomer 4' $entity_1 'Rous Sarcoma Virus Capsid Protein, Monomer 5' $entity_1 'Rous Sarcoma Virus Capsid Protein, Monomer 6' $entity_1 stop_ _System_molecular_weight 153300 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Rous Sarcoma Virus Capsid Protein, Monomer 1' 1 'Rous Sarcoma Virus Capsid Protein, Monomer 2' 1 'Rous Sarcoma Virus Capsid Protein, Monomer 3' 1 'Rous Sarcoma Virus Capsid Protein, Monomer 4' 1 'Rous Sarcoma Virus Capsid Protein, Monomer 5' 1 'Rous Sarcoma Virus Capsid Protein, Monomer 6' stop_ _Database_query_date . _Details 'The hexameric assembly of 6 capsid protein monomers forms a tubular lattice structure' save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 25550 _Mol_thiol_state 'all free' loop_ _Biological_function 'assembles into virus capsid' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 237 _Mol_residue_sequence ; PVVIKTEGPAWTPLEPKLIT RLADTVRTKGLRSPITMAEV EALMSSPLLPHDVTNLMRVI LGPAPYALWMDAWGVQLQTV IAAATRDPRHPANGQGRGER TNLNRLKGLADGMVGNPQGQ AALLRPGELVAITASALQAF REVARLAEPAGPWADIMQGP SESFVDFANRLIKAVEGSDL PPSARAPVIIDCFRQKSQPD IQQLIRTAPSTLTTPGEIIK YVLDRQKTAPLTDQGIA ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 VAL 3 VAL 4 ILE 5 LYS 6 THR 7 GLU 8 GLY 9 PRO 10 ALA 11 TRP 12 THR 13 PRO 14 LEU 15 GLU 16 PRO 17 LYS 18 LEU 19 ILE 20 THR 21 ARG 22 LEU 23 ALA 24 ASP 25 THR 26 VAL 27 ARG 28 THR 29 LYS 30 GLY 31 LEU 32 ARG 33 SER 34 PRO 35 ILE 36 THR 37 MET 38 ALA 39 GLU 40 VAL 41 GLU 42 ALA 43 LEU 44 MET 45 SER 46 SER 47 PRO 48 LEU 49 LEU 50 PRO 51 HIS 52 ASP 53 VAL 54 THR 55 ASN 56 LEU 57 MET 58 ARG 59 VAL 60 ILE 61 LEU 62 GLY 63 PRO 64 ALA 65 PRO 66 TYR 67 ALA 68 LEU 69 TRP 70 MET 71 ASP 72 ALA 73 TRP 74 GLY 75 VAL 76 GLN 77 LEU 78 GLN 79 THR 80 VAL 81 ILE 82 ALA 83 ALA 84 ALA 85 THR 86 ARG 87 ASP 88 PRO 89 ARG 90 HIS 91 PRO 92 ALA 93 ASN 94 GLY 95 GLN 96 GLY 97 ARG 98 GLY 99 GLU 100 ARG 101 THR 102 ASN 103 LEU 104 ASN 105 ARG 106 LEU 107 LYS 108 GLY 109 LEU 110 ALA 111 ASP 112 GLY 113 MET 114 VAL 115 GLY 116 ASN 117 PRO 118 GLN 119 GLY 120 GLN 121 ALA 122 ALA 123 LEU 124 LEU 125 ARG 126 PRO 127 GLY 128 GLU 129 LEU 130 VAL 131 ALA 132 ILE 133 THR 134 ALA 135 SER 136 ALA 137 LEU 138 GLN 139 ALA 140 PHE 141 ARG 142 GLU 143 VAL 144 ALA 145 ARG 146 LEU 147 ALA 148 GLU 149 PRO 150 ALA 151 GLY 152 PRO 153 TRP 154 ALA 155 ASP 156 ILE 157 MET 158 GLN 159 GLY 160 PRO 161 SER 162 GLU 163 SER 164 PHE 165 VAL 166 ASP 167 PHE 168 ALA 169 ASN 170 ARG 171 LEU 172 ILE 173 LYS 174 ALA 175 VAL 176 GLU 177 GLY 178 SER 179 ASP 180 LEU 181 PRO 182 PRO 183 SER 184 ALA 185 ARG 186 ALA 187 PRO 188 VAL 189 ILE 190 ILE 191 ASP 192 CYS 193 PHE 194 ARG 195 GLN 196 LYS 197 SER 198 GLN 199 PRO 200 ASP 201 ILE 202 GLN 203 GLN 204 LEU 205 ILE 206 ARG 207 THR 208 ALA 209 PRO 210 SER 211 THR 212 LEU 213 THR 214 THR 215 PRO 216 GLY 217 GLU 218 ILE 219 ILE 220 LYS 221 TYR 222 VAL 223 LEU 224 ASP 225 ARG 226 GLN 227 LYS 228 THR 229 ALA 230 PRO 231 LEU 232 THR 233 ASP 234 GLN 235 GLY 236 ILE 237 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant $entity_1 'Rous sarcoma virus' 11886 Viruses . Alpharetrovirus 'Rous sarcoma virus' 'Prague C' Wild-type stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) plasmid pET-24(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details 'protein assembly was centrifuged down to a gel-like pellet and packed into a 3.2mm rotor' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 20 mg/mL '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'polyethylene glycol 8000' 20 w/v 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solid _Details 'protein assembly was centrifuged down to a gel-like pellet and packed into a 3.2mm rotor' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 20 mg/mL '1,3 13C Glycerol' 'sodium phosphate' 50 mM 'natural abundance' 'polyethylene glycol 8000' 20 w/v 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solid _Details 'protein assembly was centrifuged down to a gel-like pellet and packed into a 3.2mm rotor' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 20 mg/mL '2 13C Glycerol' 'sodium phosphate' 50 mM 'natural abundance' 'polyethylene glycol 8000' 20 w/v 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solid _Details 'protein assembly was centrifuged down to a gel-like pellet and packed into a 3.2mm rotor' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 20 mg/mL '[U-13C; U-15N]-Leu' 'sodium phosphate' 50 mM 'natural abundance' 'polyethylene glycol 8000' 20 w/v 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solid _Details 'protein assembly was centrifuged down to a gel-like pellet and packed into a 3.2mm rotor' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 20 mg/mL [U-15N]-Leu 'sodium phosphate' 50 mM 'natural abundance' 'polyethylene glycol 8000' 20 w/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMRj _Version 4.0 loop_ _Task collection stop_ _Details 'Software running on Linux used as signal acquisition interface for the Bo Chen lab NMR spectrometer.' save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRFAM-SPARKY _Version 1.470 loop_ _Task 'peak picking' stop_ _Details 'NMRFAM-SPARKY 1.470, powered by Sparky 3.190; used to visualize and make residue type assignments.' save_ save_software_4 _Saveframe_category software _Name mcassign2 _Version . loop_ _Task 'chemical shift assignment' stop_ _Details ; Program written by Robert Tycko's group that employs a Monte-Carlo simulated annealing algorithm to help make sequential assignments. Citation: Hu, K.-N.; Qiang, W.; Tycko, R. J. Biomol. NMR 2011, 50, 267-276. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DDR2 _Field_strength 600 _Details 'Spectrometer at the University of Central Florida with a 14.1 Tesla magnetic field and 3.2mm BioMAS probe' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Brucker _Model Avance _Field_strength 600 _Details 'Spectrometer at the National High Magnetic Field Laboratory with a 21.1 Tesla magnetic field and 3.2 mm E-free probes' save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Brucker _Model Avance _Field_strength 900 _Details 'Spectrometer at the National High Magnetic Field Laboratory with a 21.1 Tesla magnetic field and 3.2 mm E-free probes' save_ ############################# # NMR applied experiments # ############################# save_2D_13C-13C_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR' _Sample_label $sample_1 save_ save_2D_13C/13C_TOBSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C/13C TOBSY' _Sample_label $sample_1 save_ save_2D_NCACX_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCACX' _Sample_label $sample_1 save_ save_2D_NCOCX_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCOCX' _Sample_label $sample_1 save_ save_3D_NCACX_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_1 save_ save_3D_NCOCX_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_1 save_ save_3D_CaNCOCx_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CaNCOCx' _Sample_label $sample_1 save_ save_2D_13C-13C_DARR_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR' _Sample_label $sample_2 save_ save_2D_NCaCx_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCaCx' _Sample_label $sample_2 save_ save_2D_NCOCx_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCOCx' _Sample_label $sample_2 save_ save_3D_NCACX_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_2 save_ save_3D_NCOCX_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_2 save_ save_2D_13C-13C_DARR_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-13C DARR' _Sample_label $sample_3 save_ save_2D_NCaCx_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCaCx' _Sample_label $sample_3 save_ save_2D_NCOCx_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCOCx' _Sample_label $sample_3 save_ save_3D_NCACX_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCACX' _Sample_label $sample_3 save_ save_3D_NCOCX_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NCOCX' _Sample_label $sample_3 save_ save_2D_NCACX_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCACX' _Sample_label $sample_5 save_ save_2D_NCOCX_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCOCX' _Sample_label $sample_5 save_ save_2D_NCACX_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCACX' _Sample_label $sample_4 save_ save_2D_NCOCX_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NCOCX' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 . pH temperature 277 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; Journal of magnetic resonance, volume 162, page 479-486, 2003. Also; 13C TMS methyl carbon ppm 0 external direct separate NMR rotor. ; 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 adadamantane C 13 'methyl carbon' ppm 29.45 external direct . 'separate NMR rotor' . 1 TMS N 15 'methylene protons' ppm 0 external indirect . 'separate NMR rotor' . 0.101329112 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 13C-13C DARR' '2D 13C/13C TOBSY' '2D NCACX' '2D NCOCX' '3D NCACX' '3D NCOCX' '3D CaNCOCx' '2D NCaCx' '2D NCOCx' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_5 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Rous Sarcoma Virus Capsid Protein, Monomer 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 PRO C C 171.3 . 1 2 1 1 PRO CA C 62.4 . 1 3 1 1 PRO CB C 32.2 . 1 4 1 1 PRO CG C 26.6 . 1 5 1 1 PRO CD C 49.1 . 1 6 2 2 VAL C C 175.3 . 1 7 2 2 VAL CA C 61.8 . 1 8 2 2 VAL CB C 35.0 . 1 9 2 2 VAL CG1 C 22.7 . 1 10 2 2 VAL CG2 C 21.8 . 1 11 2 2 VAL N N 121.9 . 1 12 3 3 VAL C C 174.0 . 1 13 3 3 VAL CA C 59.6 . 1 14 3 3 VAL CB C 35.0 . 1 15 3 3 VAL CG1 C 21.1 . 1 16 3 3 VAL CG2 C 20.5 . 1 17 3 3 VAL N N 125.4 . 1 18 4 4 ILE C C 175.9 . 1 19 4 4 ILE CA C 61.0 . 1 20 4 4 ILE CB C 36.2 . 1 21 4 4 ILE CG1 C 27.3 . 1 22 4 4 ILE CG2 C 18.0 . 1 23 4 4 ILE CD1 C 11.1 . 1 24 4 4 ILE N N 125.4 . 1 25 5 5 LYS C C 178.5 . 1 26 5 5 LYS CA C 55.0 . 1 27 5 5 LYS CB C 34.2 . 1 28 5 5 LYS CG C 25.6 . 1 29 5 5 LYS CD C 29.1 . 1 30 5 5 LYS CE C 42.1 . 1 31 5 5 LYS N N 128.6 . 1 32 6 6 THR C C 178.0 . 1 33 6 6 THR CA C 59.2 . 1 34 6 6 THR CB C 66.0 . 1 35 6 6 THR CG2 C 24.7 . 1 36 6 6 THR N N 116.5 . 1 37 7 7 GLU C C 174.8 . 1 38 7 7 GLU CA C 54.9 . 1 39 7 7 GLU CB C 32.2 . 1 40 7 7 GLU CG C 36.3 . 1 41 7 7 GLU CD C 184.3 . 1 42 7 7 GLU N N 125.7 . 1 43 8 8 GLY C C 171.5 . 1 44 8 8 GLY CA C 44.3 . 1 45 8 8 GLY N N 107.7 . 1 46 9 9 PRO C C 177.1 . 1 47 9 9 PRO CA C 64.3 . 1 48 9 9 PRO CB C 31.7 . 1 49 9 9 PRO CG C 27.7 . 1 50 9 9 PRO CD C 50.0 . 1 51 9 9 PRO N N 134.8 . 1 52 10 10 ALA C C 174.9 . 1 53 10 10 ALA CA C 52.1 . 1 54 10 10 ALA CB C 20.1 . 1 55 10 10 ALA N N 123.1 . 1 56 11 11 TRP C C 168.2 . 1 57 11 11 TRP CB C 27.9 . 1 58 12 12 THR C C 170.2 . 1 59 12 12 THR CA C 57.3 . 1 60 12 12 THR CB C 71.1 . 1 61 12 12 THR CG2 C 20.7 . 1 62 12 12 THR N N 124.7 . 1 63 13 13 PRO C C 176.7 . 1 64 13 13 PRO CA C 61.7 . 1 65 13 13 PRO CB C 34.1 . 1 66 13 13 PRO CG C 26.4 . 1 67 13 13 PRO CD C 50.1 . 1 68 13 13 PRO N N 138.0 . 1 69 14 14 LEU C C 176.9 . 1 70 14 14 LEU CA C 54.9 . 1 71 14 14 LEU CB C 43.0 . 1 72 14 14 LEU CG C 27.7 . 1 73 14 14 LEU CD1 C 26.3 . 1 74 14 14 LEU CD2 C 23.9 . 1 75 14 14 LEU N N 122.8 . 1 76 15 15 GLU C C 176.2 . 1 77 15 15 GLU CA C 54.5 . 1 78 15 15 GLU CB C 30.2 . 1 79 15 15 GLU CG C 36.8 . 1 80 15 15 GLU CD C 180.4 . 1 81 15 15 GLU N N 123.6 . 1 82 16 16 PRO C C 176.8 . 1 83 16 16 PRO CA C 64.5 . 1 84 16 16 PRO CB C 32.1 . 1 85 16 16 PRO CG C 27.4 . 1 86 16 16 PRO CD C 51.1 . 1 87 16 16 PRO N N 139.3 . 1 88 17 17 LYS C C 179.3 . 1 89 17 17 LYS CA C 59.7 . 1 90 17 17 LYS CB C 32.3 . 1 91 17 17 LYS CG C 25.1 . 1 92 17 17 LYS CD C 27.2 . 1 93 17 17 LYS CE C 42.2 . 1 94 17 17 LYS N N 116.5 . 1 95 18 18 LEU C C 178.5 . 1 96 18 18 LEU CA C 57.4 . 1 97 18 18 LEU CB C 41.6 . 1 98 18 18 LEU CG C 27.4 . 1 99 18 18 LEU CD1 C 24.4 . 1 100 18 18 LEU CD2 C 22.1 . 1 101 18 18 LEU N N 119.6 . 1 102 19 19 ILE C C 178.6 . 1 103 19 19 ILE CA C 64.6 . 1 104 19 19 ILE CB C 37.8 . 1 105 19 19 ILE CG1 C 28.9 . 1 106 19 19 ILE CG2 C 18.0 . 1 107 19 19 ILE N N 119.8 . 1 108 20 20 THR C C 176.2 . 1 109 20 20 THR CA C 66.7 . 1 110 20 20 THR CB C 68.6 . 1 111 20 20 THR CG2 C 22.4 . 1 112 20 20 THR N N 117.6 . 1 113 21 21 ARG C C 178.5 . 1 114 21 21 ARG CA C 59.6 . 1 115 21 21 ARG CB C 30.1 . 1 116 21 21 ARG CG C 27.3 . 1 117 21 21 ARG CD C 43.7 . 1 118 21 21 ARG CZ C 160.1 . 1 119 21 21 ARG N N 121.4 . 1 120 22 22 LEU C C 178.3 . 1 121 22 22 LEU CA C 57.8 . 1 122 22 22 LEU CB C 42.1 . 1 123 22 22 LEU CG C 26.8 . 1 124 22 22 LEU CD1 C 25.0 . 1 125 22 22 LEU CD2 C 23.6 . 1 126 22 22 LEU N N 121.6 . 1 127 23 23 ALA C C 180.9 . 1 128 23 23 ALA CA C 55.0 . 1 129 23 23 ALA CB C 17.8 . 1 130 23 23 ALA N N 122.2 . 1 131 24 24 ASP C C 178.5 . 1 132 24 24 ASP CA C 57.3 . 1 133 24 24 ASP CB C 40.6 . 1 134 24 24 ASP CG C 179.8 . 1 135 24 24 ASP N N 119.6 . 1 136 25 25 THR C C 176.1 . 1 137 25 25 THR CA C 67.2 . 1 138 25 25 THR CB C 68.2 . 1 139 25 25 THR CG2 C 17.8 . 1 140 25 25 THR N N 122.1 . 1 141 26 26 VAL C C 179.3 . 1 142 26 26 VAL CA C 66.9 . 1 143 26 26 VAL CB C 31.9 . 1 144 26 26 VAL CG1 C 22.9 . 1 145 26 26 VAL CG2 C 21.2 . 1 146 26 26 VAL N N 121.8 . 1 147 27 27 ARG C C 177.9 . 1 148 27 27 ARG CA C 59.6 . 1 149 27 27 ARG CB C 30.7 . 1 150 27 27 ARG CG C 27.9 . 1 151 27 27 ARG CD C 41.7 . 1 152 27 27 ARG CZ C 160.1 . 1 153 27 27 ARG N N 118.7 . 1 154 28 28 THR C C 176.6 . 1 155 28 28 THR CA C 63.9 . 1 156 28 28 THR CB C 70.4 . 1 157 28 28 THR CG2 C 22.0 . 1 158 28 28 THR N N 107.8 . 1 159 29 29 LYS C C 178.0 . 1 160 29 29 LYS CA C 55.7 . 1 161 29 29 LYS CB C 32.6 . 1 162 29 29 LYS CG C 24.0 . 1 163 29 29 LYS CD C 25.2 . 1 164 29 29 LYS CE C 42.8 . 1 165 29 29 LYS N N 120.0 . 1 166 30 30 GLY C C 173.8 . 1 167 30 30 GLY CA C 44.5 . 1 168 30 30 GLY N N 107.7 . 1 169 31 31 LEU C C 176.0 . 1 170 31 31 LEU CA C 55.6 . 1 171 31 31 LEU CB C 43.0 . 1 172 31 31 LEU CG C 28.4 . 1 173 31 31 LEU CD1 C 25.1 . 1 174 31 31 LEU CD2 C 23.9 . 1 175 31 31 LEU N N 120.3 . 1 176 32 32 ARG C C 176.6 . 1 177 32 32 ARG CA C 55.5 . 1 178 32 32 ARG CB C 31.1 . 1 179 32 32 ARG CG C 30.4 . 1 180 32 32 ARG CD C 43.8 . 1 181 32 32 ARG N N 112.8 . 1 182 33 33 SER C C 173.9 . 1 183 33 33 SER CA C 55.3 . 1 184 33 33 SER CB C 64.4 . 1 185 33 33 SER N N 113.9 . 1 186 34 34 PRO C C 178.8 . 1 187 34 34 PRO CA C 64.6 . 1 188 34 34 PRO CB C 32.3 . 1 189 34 34 PRO CG C 27.8 . 1 190 34 34 PRO CD C 51.2 . 1 191 34 34 PRO N N 140.6 . 1 192 35 35 ILE C C 176.6 . 1 193 35 35 ILE CA C 60.5 . 1 194 35 35 ILE CB C 38.1 . 1 195 35 35 ILE CG1 C 25.4 . 1 196 35 35 ILE CG2 C 18.2 . 1 197 35 35 ILE CD1 C 10.9 . 1 198 35 35 ILE N N 119.1 . 1 199 36 36 THR C C 176.7 . 1 200 36 36 THR CA C 66.5 . 1 201 36 36 THR CB C 68.6 . 1 202 36 36 THR CG2 C 24.6 . 1 203 36 36 THR N N 118.6 . 1 204 37 37 MET C C 177.6 . 1 205 37 37 MET CA C 57.8 . 1 206 37 37 MET CB C 32.5 . 1 207 37 37 MET CG C 31.4 . 1 208 37 37 MET CE C 16.9 . 1 209 37 37 MET N N 118.3 . 1 210 38 38 ALA C C 180.9 . 1 211 38 38 ALA CA C 55.0 . 1 212 38 38 ALA CB C 18.2 . 1 213 38 38 ALA N N 120.1 . 1 214 39 39 GLU C C 179.5 . 1 215 39 39 GLU CA C 60.2 . 1 216 39 39 GLU CB C 28.9 . 1 217 39 39 GLU CG C 34.5 . 1 218 39 39 GLU CD C 181.0 . 1 219 39 39 GLU N N 119.8 . 1 220 40 40 VAL C C 179.3 . 1 221 40 40 VAL CA C 67.3 . 1 222 40 40 VAL CB C 32.1 . 1 223 40 40 VAL CG1 C 23.4 . 1 224 40 40 VAL CG2 C 21.1 . 1 225 40 40 VAL N N 120.5 . 1 226 41 41 GLU C C 179.2 . 1 227 41 41 GLU CA C 60.5 . 1 228 41 41 GLU CB C 30.1 . 1 229 41 41 GLU CG C 34.7 . 1 230 41 41 GLU CD C 182.6 . 1 231 41 41 GLU N N 119.0 . 1 232 42 42 ALA C C 180.9 . 1 233 42 42 ALA CA C 55.1 . 1 234 42 42 ALA CB C 18.1 . 1 235 42 42 ALA N N 120.0 . 1 236 43 43 LEU C C 178.0 . 1 237 43 43 LEU CA C 58.3 . 1 238 43 43 LEU CB C 42.1 . 1 239 43 43 LEU CG C 28.1 . 1 240 43 43 LEU CD1 C 23.6 . 1 241 43 43 LEU CD2 C 21.8 . 1 242 43 43 LEU N N 120.2 . 1 243 44 44 MET C C 174.7 . 1 244 44 44 MET CA C 55.7 . 1 245 44 44 MET CB C 33.6 . 1 246 44 44 MET CG C 31.7 . 1 247 44 44 MET CE C 19.2 . 1 248 44 44 MET N N 114.3 . 1 249 45 45 SER C C 174.9 . 1 250 45 45 SER CA C 60.4 . 1 251 45 45 SER CB C 63.7 . 1 252 45 45 SER N N 112.5 . 1 253 46 46 SER C C 173.9 . 1 254 46 46 SER CA C 56.0 . 1 255 46 46 SER CB C 64.2 . 1 256 46 46 SER N N 118.8 . 1 257 47 47 PRO C C 176.2 . 1 258 47 47 PRO CA C 64.6 . 1 259 47 47 PRO CB C 32.3 . 1 260 47 47 PRO CG C 27.8 . 1 261 47 47 PRO CD C 49.4 . 1 262 47 47 PRO N N 140.4 . 1 263 48 48 LEU C C 174.4 . 1 264 48 48 LEU CA C 53.9 . 1 265 48 48 LEU CB C 45.0 . 1 266 48 48 LEU CG C 29.0 . 1 267 48 48 LEU CD1 C 27.0 . 1 268 48 48 LEU CD2 C 24.6 . 1 269 48 48 LEU N N 125.0 . 1 270 49 49 LEU C C 174.9 . 1 271 49 49 LEU CA C 52.4 . 1 272 49 49 LEU CB C 41.2 . 1 273 49 49 LEU CG C 28.5 . 1 274 49 49 LEU CD1 C 26.6 . 1 275 49 49 LEU CD2 C 23.7 . 1 276 49 49 LEU N N 112.5 . 1 277 50 50 PRO C C 178.2 . 1 278 50 50 PRO CA C 66.7 . 1 279 50 50 PRO CB C 32.1 . 1 280 50 50 PRO CG C 27.9 . 1 281 50 50 PRO CD C 50.5 . 1 282 50 50 PRO N N 137.5 . 1 283 51 51 HIS C C 178.0 . 1 284 51 51 HIS CA C 60.3 . 1 285 51 51 HIS CB C 31.3 . 1 286 51 51 HIS CE1 C 135.4 . 1 287 51 51 HIS N N 116.2 . 1 288 52 52 ASP C C 174.3 . 1 289 52 52 ASP CA C 57.2 . 1 290 52 52 ASP CB C 39.4 . 1 291 52 52 ASP CG C 179.8 . 1 292 52 52 ASP N N 115.9 . 1 293 53 53 VAL C C 176.7 . 1 294 53 53 VAL CA C 66.1 . 1 295 53 53 VAL CB C 31.9 . 1 296 53 53 VAL CG1 C 22.6 . 1 297 53 53 VAL CG2 C 21.9 . 1 298 53 53 VAL N N 115.6 . 1 299 54 54 THR C C 176.9 . 1 300 54 54 THR CA C 65.8 . 1 301 54 54 THR CB C 68.2 . 1 302 54 54 THR CG2 C 23.2 . 1 303 54 54 THR N N 111.9 . 1 304 55 55 ASN C C 176.1 . 1 305 55 55 ASN CA C 57.4 . 1 306 55 55 ASN CB C 38.8 . 1 307 55 55 ASN CG C 176.4 . 1 308 55 55 ASN N N 118.6 . 1 309 56 56 LEU C C 177.9 . 1 310 56 56 LEU CA C 58.3 . 1 311 56 56 LEU CB C 42.4 . 1 312 56 56 LEU CG C 28.1 . 1 313 56 56 LEU CD1 C 23.6 . 1 314 56 56 LEU CD2 C 21.8 . 1 315 56 56 LEU N N 120.2 . 1 316 57 57 MET C C 177.3 . 1 317 57 57 MET CA C 56.4 . 1 318 57 57 MET CB C 30.6 . 1 319 57 57 MET CG C 32.7 . 1 320 57 57 MET CE C 19.3 . 1 321 57 57 MET N N 114.7 . 1 322 58 58 ARG C C 178.9 . 1 323 58 58 ARG CA C 59.2 . 1 324 58 58 ARG CB C 30.7 . 1 325 58 58 ARG CG C 27.9 . 1 326 58 58 ARG CD C 43.0 . 1 327 58 58 ARG CZ C 159.4 . 1 328 58 58 ARG N N 118.5 . 1 329 59 59 VAL C C 177.7 . 1 330 59 59 VAL CA C 65.6 . 1 331 59 59 VAL CB C 31.8 . 1 332 59 59 VAL CG1 C 22.8 . 1 333 59 59 VAL CG2 C 22.0 . 1 334 59 59 VAL N N 115.4 . 1 335 60 60 ILE C C 175.1 . 1 336 60 60 ILE CA C 63.5 . 1 337 60 60 ILE CB C 39.1 . 1 338 60 60 ILE CG1 C 26.1 . 1 339 60 60 ILE CG2 C 18.1 . 1 340 60 60 ILE CD1 C 14.3 . 1 341 60 60 ILE N N 109.2 . 1 342 61 61 LEU C C 177.1 . 1 343 61 61 LEU CA C 53.0 . 1 344 61 61 LEU CB C 44.2 . 1 345 61 61 LEU CG C 25.9 . 1 346 61 61 LEU CD1 C 23.3 . 1 347 61 61 LEU CD2 C 19.3 . 1 348 61 61 LEU N N 118.7 . 1 349 62 62 GLY C C 171.4 . 1 350 62 62 GLY CA C 44.4 . 1 351 62 62 GLY N N 103.2 . 1 352 63 63 PRO C C 179.2 . 1 353 63 63 PRO CA C 65.0 . 1 354 63 63 PRO CB C 32.0 . 1 355 63 63 PRO CG C 27.7 . 1 356 63 63 PRO CD C 49.8 . 1 357 63 63 PRO N N 134.8 . 1 358 64 64 ALA C C 176.0 . 1 359 64 64 ALA CA C 57.1 . 1 360 64 64 ALA CB C 15.5 . 1 361 64 64 ALA N N 119.2 . 1 362 65 65 PRO C C 179.5 . 1 363 65 65 PRO CA C 65.8 . 1 364 65 65 PRO CB C 31.7 . 1 365 65 65 PRO CG C 27.6 . 1 366 65 65 PRO CD C 49.3 . 1 367 65 65 PRO N N 131.7 . 1 368 66 66 TYR C C 176.7 . 1 369 66 66 TYR CA C 62.5 . 1 370 66 66 TYR CB C 38.3 . 1 371 66 66 TYR CD1 C 131.7 . 3 372 66 66 TYR N N 118.8 . 1 373 67 67 ALA C C 177.7 . 1 374 67 67 ALA CA C 54.9 . 1 375 67 67 ALA CB C 18.4 . 1 376 67 67 ALA N N 122.7 . 1 377 68 68 LEU C C 176.3 . 1 378 68 68 LEU CA C 56.4 . 1 379 68 68 LEU CB C 43.3 . 1 380 68 68 LEU CG C 26.7 . 1 381 68 68 LEU CD1 C 23.9 . 1 382 68 68 LEU N N 118.3 . 1 383 69 69 TRP C C 177.1 . 1 384 69 69 TRP CA C 57.0 . 1 385 69 69 TRP CB C 28.4 . 1 386 69 69 TRP CG C 109.3 . 1 387 69 69 TRP N N 121.2 . 1 388 70 70 MET C C 179.8 . 1 389 70 70 MET CA C 57.9 . 1 390 70 70 MET CB C 31.2 . 1 391 70 70 MET CG C 31.2 . 1 392 70 70 MET CE C 17.8 . 1 393 70 70 MET N N 121.0 . 1 394 71 71 ASP C C 176.7 . 1 395 71 71 ASP CA C 57.1 . 1 396 71 71 ASP CB C 40.7 . 1 397 71 71 ASP CG C 179.7 . 1 398 71 71 ASP N N 119.9 . 1 399 72 72 ALA C C 178.4 . 1 400 72 72 ALA CA C 54.5 . 1 401 72 72 ALA CB C 18.2 . 1 402 72 72 ALA N N 122.3 . 1 403 73 73 TRP C C 177.5 . 1 404 73 73 TRP CA C 59.7 . 1 405 73 73 TRP CB C 27.0 . 1 406 73 73 TRP CE2 C 138.2 . 1 407 73 73 TRP N N 123.3 . 1 408 74 74 GLY C C 176.2 . 1 409 74 74 GLY CA C 47.7 . 1 410 74 74 GLY N N 103.8 . 1 411 75 75 VAL C C 179.3 . 1 412 75 75 VAL CA C 66.9 . 1 413 75 75 VAL CB C 31.9 . 1 414 75 75 VAL CG1 C 22.9 . 1 415 75 75 VAL CG2 C 21.2 . 1 416 75 75 VAL N N 121.8 . 1 417 76 76 GLN C C 179.5 . 1 418 76 76 GLN CA C 60.5 . 1 419 76 76 GLN CB C 29.1 . 1 420 76 76 GLN CG C 32.8 . 1 421 76 76 GLN CD C 182.6 . 1 422 76 76 GLN N N 119.0 . 1 423 77 77 LEU C C 179.7 . 1 424 77 77 LEU CA C 58.3 . 1 425 77 77 LEU CB C 42.4 . 1 426 77 77 LEU CG C 28.1 . 1 427 77 77 LEU CD1 C 23.6 . 1 428 77 77 LEU CD2 C 21.8 . 1 429 77 77 LEU N N 120.2 . 1 430 78 78 GLN C C 179.1 . 1 431 78 78 GLN CA C 59.1 . 1 432 78 78 GLN CB C 28.0 . 1 433 78 78 GLN CG C 30.6 . 1 434 78 78 GLN CD C 182.9 . 1 435 78 78 GLN N N 118.5 . 1 436 79 79 THR C C 177.1 . 1 437 79 79 THR CA C 66.5 . 1 438 79 79 THR CB C 68.7 . 1 439 79 79 THR CG2 C 18.2 . 1 440 79 79 THR N N 117.1 . 1 441 80 80 VAL C C 177.4 . 1 442 80 80 VAL CA C 66.1 . 1 443 80 80 VAL CB C 31.0 . 1 444 80 80 VAL CG1 C 22.3 . 1 445 80 80 VAL CG2 C 20.7 . 1 446 80 80 VAL N N 125.4 . 1 447 81 81 ILE C C 178.9 . 1 448 81 81 ILE CA C 63.2 . 1 449 81 81 ILE CB C 36.0 . 1 450 81 81 ILE CG1 C 28.7 . 1 451 81 81 ILE CG2 C 17.8 . 1 452 81 81 ILE CD1 C 12.2 . 1 453 81 81 ILE N N 118.5 . 1 454 82 82 ALA C C 180.5 . 1 455 82 82 ALA CA C 55.0 . 1 456 82 82 ALA CB C 17.9 . 1 457 82 82 ALA N N 124.2 . 1 458 83 83 ALA C C 180.5 . 1 459 83 83 ALA CA C 54.9 . 1 460 83 83 ALA CB C 18.3 . 1 461 83 83 ALA N N 122.7 . 1 462 84 84 ALA C C 178.8 . 1 463 84 84 ALA CA C 53.2 . 1 464 84 84 ALA CB C 17.4 . 1 465 84 84 ALA N N 120.8 . 1 466 85 85 THR C C 174.8 . 1 467 85 85 THR CA C 65.4 . 1 468 85 85 THR CB C 69.1 . 1 469 85 85 THR CG2 C 21.1 . 1 470 85 85 THR N N 113.8 . 1 471 86 86 ARG C C 175.7 . 1 472 86 86 ARG CA C 57.5 . 1 473 86 86 ARG CB C 31.1 . 1 474 86 86 ARG CG C 27.6 . 1 475 86 86 ARG CD C 43.3 . 1 476 86 86 ARG N N 119.4 . 1 477 87 87 ASP C C 171.9 . 1 478 87 87 ASP CA C 49.6 . 1 479 87 87 ASP CB C 42.7 . 1 480 87 87 ASP CG C 180.5 . 1 481 87 87 ASP N N 116.6 . 1 482 88 88 PRO C C 178.1 . 1 483 88 88 PRO CA C 64.5 . 1 484 88 88 PRO CB C 32.9 . 1 485 88 88 PRO CG C 27.4 . 1 486 88 88 PRO CD C 48.8 . 1 487 88 88 PRO N N 139.4 . 1 488 89 89 ARG C C 175.7 . 1 489 89 89 ARG CA C 55.6 . 1 490 89 89 ARG CB C 29.4 . 1 491 89 89 ARG CG C 27.7 . 1 492 89 89 ARG CD C 43.3 . 1 493 89 89 ARG CZ C 157.4 . 1 494 89 89 ARG N N 115.1 . 1 495 90 90 HIS C C 172.8 . 1 496 90 90 HIS CA C 57.1 . 1 497 90 90 HIS CB C 32.2 . 1 498 90 90 HIS N N 124.4 . 1 499 91 91 PRO C C 179.5 . 1 500 91 91 PRO CA C 66.0 . 1 501 91 91 PRO CB C 31.0 . 1 502 91 91 PRO CG C 28.9 . 1 503 91 91 PRO CD C 49.3 . 1 504 91 91 PRO N N 131.7 . 1 505 92 92 ALA C C 177.8 . 1 506 92 92 ALA CA C 55.0 . 1 507 92 92 ALA CB C 19.0 . 1 508 92 92 ALA N N 122.6 . 1 509 93 93 ASN CA C 54.5 . 1 510 93 93 ASN CB C 41.1 . 1 511 93 93 ASN CG C 177.5 . 1 512 93 93 ASN N N 117.1 . 1 513 94 94 GLY C C 173.8 . 1 514 94 94 GLY CA C 44.5 . 1 515 94 94 GLY N N 107.7 . 1 516 95 95 GLN C C 177.8 . 1 517 95 95 GLN CA C 56.5 . 1 518 95 95 GLN CB C 29.7 . 1 519 95 95 GLN CD C 180.3 . 1 520 95 95 GLN N N 118.3 . 1 521 96 96 GLY C C 173.8 . 1 522 96 96 GLY CA C 44.1 . 1 523 96 96 GLY N N 108.6 . 1 524 97 97 ARG C C 176.7 . 1 525 97 97 ARG CA C 57.5 . 1 526 97 97 ARG CB C 31.1 . 1 527 97 97 ARG CG C 27.6 . 1 528 97 97 ARG CD C 40.7 . 1 529 97 97 ARG CZ C 161.7 . 1 530 97 97 ARG N N 119.6 . 1 531 98 98 GLY C C 174.7 . 1 532 98 98 GLY CA C 45.0 . 1 533 98 98 GLY N N 112.1 . 1 534 99 99 GLU C C 177.3 . 1 535 99 99 GLU CA C 57.0 . 1 536 99 99 GLU CB C 28.4 . 1 537 99 99 GLU CD C 181.1 . 1 538 99 99 GLU N N 121.6 . 1 539 100 100 ARG C C 178.5 . 1 540 100 100 ARG CA C 55.3 . 1 541 100 100 ARG CB C 31.5 . 1 542 100 100 ARG CG C 27.5 . 1 543 100 100 ARG CD C 43.0 . 1 544 100 100 ARG CZ C 160.4 . 1 545 100 100 ARG N N 121.3 . 1 546 101 101 THR C C 172.8 . 1 547 101 101 THR CA C 63.3 . 1 548 101 101 THR CB C 66.4 . 1 549 101 101 THR CG2 C 19.4 . 1 550 101 101 THR N N 117.7 . 1 551 102 102 ASN C C 174.3 . 1 552 102 102 ASN CA C 53.5 . 1 553 102 102 ASN CB C 40.2 . 1 554 102 102 ASN CG C 175.8 . 1 555 102 102 ASN N N 113.3 . 1 556 103 103 LEU C C 177.2 . 1 557 103 103 LEU CA C 58.3 . 1 558 103 103 LEU CB C 42.4 . 1 559 103 103 LEU CG C 28.1 . 1 560 103 103 LEU CD1 C 25.3 . 1 561 103 103 LEU CD2 C 21.9 . 1 562 103 103 LEU N N 120.2 . 1 563 104 104 ASN C C 178.5 . 1 564 104 104 ASN CA C 56.1 . 1 565 104 104 ASN CB C 37.0 . 1 566 104 104 ASN CG C 179.4 . 1 567 104 104 ASN N N 115.0 . 1 568 105 105 ARG C C 177.8 . 1 569 105 105 ARG CA C 60.7 . 1 570 105 105 ARG CB C 31.1 . 1 571 105 105 ARG CG C 29.4 . 1 572 105 105 ARG CD C 43.9 . 1 573 105 105 ARG N N 120.6 . 1 574 106 106 LEU C C 175.2 . 1 575 106 106 LEU CA C 57.1 . 1 576 106 106 LEU CB C 41.4 . 1 577 106 106 LEU CG C 26.6 . 1 578 106 106 LEU CD1 C 25.7 . 1 579 106 106 LEU CD2 C 21.5 . 1 580 106 106 LEU N N 113.3 . 1 581 107 107 LYS C C 177.8 . 1 582 107 107 LYS CA C 56.4 . 1 583 107 107 LYS CB C 34.4 . 1 584 107 107 LYS CG C 26.5 . 1 585 107 107 LYS CD C 30.0 . 1 586 107 107 LYS CE C 46.7 . 1 587 107 107 LYS N N 107.7 . 1 588 108 108 GLY C C 174.0 . 1 589 108 108 GLY CA C 46.9 . 1 590 108 108 GLY N N 108.6 . 1 591 109 109 LEU C C 176.4 . 1 592 109 109 LEU CA C 53.9 . 1 593 109 109 LEU CB C 43.6 . 1 594 109 109 LEU CG C 25.7 . 1 595 109 109 LEU CD1 C 25.1 . 1 596 109 109 LEU CD2 C 22.2 . 1 597 109 109 LEU N N 115.7 . 1 598 110 110 ALA C C 175.9 . 1 599 110 110 ALA CA C 50.9 . 1 600 110 110 ALA CB C 19.6 . 1 601 110 110 ALA N N 121.4 . 1 602 111 111 ASP C C 176.8 . 1 603 111 111 ASP CA C 57.0 . 1 604 111 111 ASP CB C 40.7 . 1 605 111 111 ASP CG C 179.7 . 1 606 111 111 ASP N N 119.9 . 1 607 112 112 GLY C C 174.6 . 1 608 112 112 GLY CA C 45.1 . 1 609 112 112 GLY N N 112.0 . 1 610 113 113 MET C C 177.4 . 1 611 113 113 MET CA C 57.3 . 1 612 113 113 MET CB C 34.6 . 1 613 113 113 MET CG C 34.0 . 1 614 113 113 MET CE C 21.8 . 1 615 113 113 MET N N 113.3 . 1 616 114 114 VAL C C 178.6 . 1 617 114 114 VAL CA C 64.9 . 1 618 114 114 VAL CB C 31.0 . 1 619 114 114 VAL CG1 C 22.4 . 1 620 114 114 VAL CG2 C 20.9 . 1 621 114 114 VAL N N 121.4 . 1 622 115 115 GLY C C 174.7 . 1 623 115 115 GLY CA C 46.5 . 1 624 115 115 GLY N N 118.1 . 1 625 116 116 ASN C C 172.1 . 1 626 116 116 ASN CA C 49.8 . 1 627 116 116 ASN CB C 38.5 . 1 628 116 116 ASN CG C 178.6 . 1 629 116 116 ASN N N 112.4 . 1 630 117 117 PRO C C 177.5 . 1 631 117 117 PRO CA C 64.5 . 1 632 117 117 PRO CB C 30.4 . 1 633 117 117 PRO CG C 27.4 . 1 634 117 117 PRO CD C 50.6 . 1 635 117 117 PRO N N 139.4 . 1 636 118 118 GLN C C 179.2 . 1 637 118 118 GLN CA C 59.7 . 1 638 118 118 GLN CB C 27.0 . 1 639 118 118 GLN CG C 32.3 . 1 640 118 118 GLN CD C 180.5 . 1 641 118 118 GLN N N 115.5 . 1 642 119 119 GLY C C 176.0 . 1 643 119 119 GLY CA C 46.9 . 1 644 119 119 GLY N N 109.2 . 1 645 120 120 GLN C C 177.2 . 1 646 120 120 GLN CA C 60.2 . 1 647 120 120 GLN CB C 28.9 . 1 648 120 120 GLN CG C 34.6 . 1 649 120 120 GLN CD C 182.6 . 1 650 120 120 GLN N N 119.8 . 1 651 121 121 ALA C C 180.2 . 1 652 121 121 ALA CA C 54.8 . 1 653 121 121 ALA CB C 18.5 . 1 654 121 121 ALA N N 118.9 . 1 655 122 122 ALA C C 180.0 . 1 656 122 122 ALA CA C 54.0 . 1 657 122 122 ALA CB C 18.9 . 1 658 122 122 ALA N N 117.1 . 1 659 123 123 LEU C C 179.1 . 1 660 123 123 LEU CA C 56.6 . 1 661 123 123 LEU CB C 45.8 . 1 662 123 123 LEU CG C 26.9 . 1 663 123 123 LEU CD1 C 25.2 . 1 664 123 123 LEU CD2 C 22.2 . 1 665 123 123 LEU N N 115.3 . 1 666 124 124 LEU C C 176.9 . 1 667 124 124 LEU CA C 55.6 . 1 668 124 124 LEU CB C 42.8 . 1 669 124 124 LEU CG C 25.2 . 1 670 124 124 LEU CD1 C 25.2 . 1 671 124 124 LEU CD2 C 23.9 . 1 672 124 124 LEU N N 120.3 . 1 673 125 125 ARG C C 176.6 . 1 674 125 125 ARG CA C 54.4 . 1 675 125 125 ARG CB C 30.3 . 1 676 125 125 ARG CG C 27.8 . 1 677 125 125 ARG CD C 42.9 . 1 678 125 125 ARG CZ C 162.1 . 1 679 125 125 ARG N N 123.1 . 1 680 126 126 PRO C C 179.4 . 1 681 126 126 PRO CA C 66.7 . 1 682 126 126 PRO CB C 32.1 . 1 683 126 126 PRO CG C 27.9 . 1 684 126 126 PRO CD C 50.5 . 1 685 126 126 PRO N N 137.8 . 1 686 127 127 GLY C C 178.4 . 1 687 127 127 GLY CA C 46.7 . 1 688 127 127 GLY N N 102.3 . 1 689 128 128 GLU C C 176.2 . 1 690 128 128 GLU CA C 60.3 . 1 691 128 128 GLU CB C 29.1 . 1 692 128 128 GLU CG C 33.7 . 1 693 128 128 GLU CD C 182.6 . 1 694 128 128 GLU N N 119.4 . 1 695 129 129 LEU C C 180.8 . 1 696 129 129 LEU CA C 58.2 . 1 697 129 129 LEU CB C 41.3 . 1 698 129 129 LEU CG C 26.8 . 1 699 129 129 LEU CD1 C 25.7 . 1 700 129 129 LEU CD2 C 24.2 . 1 701 129 129 LEU N N 117.9 . 1 702 130 130 VAL C C 178.1 . 1 703 130 130 VAL CA C 67.3 . 1 704 130 130 VAL CB C 32.1 . 1 705 130 130 VAL CG1 C 23.4 . 1 706 130 130 VAL CG2 C 21.1 . 1 707 130 130 VAL N N 120.5 . 1 708 131 131 ALA C C 181.6 . 1 709 131 131 ALA CA C 55.0 . 1 710 131 131 ALA CB C 18.6 . 1 711 131 131 ALA N N 122.6 . 1 712 132 132 ILE C C 177.9 . 1 713 132 132 ILE CA C 66.8 . 1 714 132 132 ILE CB C 39.8 . 1 715 132 132 ILE CG1 C 30.7 . 1 716 132 132 ILE CG2 C 17.8 . 1 717 132 132 ILE CD1 C 10.2 . 1 718 132 132 ILE N N 123.1 . 1 719 133 133 THR C C 177.1 . 1 720 133 133 THR CA C 66.6 . 1 721 133 133 THR CB C 68.5 . 1 722 133 133 THR CG2 C 21.9 . 1 723 133 133 THR N N 117.6 . 1 724 134 134 ALA C C 182.2 . 1 725 134 134 ALA CA C 55.5 . 1 726 134 134 ALA CB C 18.3 . 1 727 134 134 ALA N N 124.8 . 1 728 135 135 SER C C 176.2 . 1 729 135 135 SER CA C 62.6 . 1 730 135 135 SER CB C 63.5 . 1 731 135 135 SER N N 113.2 . 1 732 136 136 ALA C C 180.5 . 1 733 136 136 ALA CA C 56.3 . 1 734 136 136 ALA CB C 20.6 . 1 735 136 136 ALA N N 126.0 . 1 736 137 137 LEU C C 178.4 . 1 737 137 137 LEU CA C 58.1 . 1 738 137 137 LEU CB C 41.7 . 1 739 137 137 LEU CG C 27.4 . 1 740 137 137 LEU CD1 C 26.6 . 1 741 137 137 LEU CD2 C 23.7 . 1 742 137 137 LEU N N 122.2 . 1 743 138 138 GLN C C 176.1 . 1 744 138 138 GLN CA C 58.3 . 1 745 138 138 GLN CB C 28.4 . 1 746 138 138 GLN CG C 32.9 . 1 747 138 138 GLN CD C 179.6 . 1 748 138 138 GLN N N 119.5 . 1 749 139 139 ALA C C 177.3 . 1 750 139 139 ALA CA C 55.3 . 1 751 139 139 ALA CB C 20.6 . 1 752 139 139 ALA N N 126.4 . 1 753 140 140 PHE C C 176.1 . 1 754 140 140 PHE CA C 63.0 . 1 755 140 140 PHE CB C 38.9 . 1 756 140 140 PHE CD1 C 131.1 . 3 757 140 140 PHE N N 119.0 . 1 758 141 141 ARG C C 177.2 . 1 759 141 141 ARG CA C 60.6 . 1 760 141 141 ARG CB C 29.9 . 1 761 141 141 ARG CG C 25.3 . 1 762 141 141 ARG CD C 43.8 . 1 763 141 141 ARG N N 119.0 . 1 764 142 142 GLU C C 176.3 . 1 765 142 142 GLU CA C 59.5 . 1 766 142 142 GLU CB C 28.1 . 1 767 142 142 GLU CG C 33.0 . 1 768 142 142 GLU CD C 182.8 . 1 769 142 142 GLU N N 117.5 . 1 770 143 143 VAL C C 178.0 . 1 771 143 143 VAL CA C 66.9 . 1 772 143 143 VAL CB C 31.9 . 1 773 143 143 VAL CG1 C 22.9 . 1 774 143 143 VAL CG2 C 21.2 . 1 775 143 143 VAL N N 121.8 . 1 776 144 144 ALA C C 177.1 . 1 777 144 144 ALA CA C 55.1 . 1 778 144 144 ALA CB C 17.1 . 1 779 144 144 ALA N N 123.0 . 1 780 145 145 ARG C C 179.3 . 1 781 145 145 ARG CA C 58.5 . 1 782 145 145 ARG CB C 30.5 . 1 783 145 145 ARG CG C 27.9 . 1 784 145 145 ARG CD C 43.8 . 1 785 145 145 ARG CZ C 160.9 . 1 786 145 145 ARG N N 113.3 . 1 787 146 146 LEU C C 177.1 . 1 788 146 146 LEU CA C 56.4 . 1 789 146 146 LEU CB C 43.3 . 1 790 146 146 LEU CG C 27.0 . 1 791 146 146 LEU CD1 C 25.3 . 1 792 146 146 LEU N N 118.4 . 1 793 147 147 ALA C C 176.1 . 1 794 147 147 ALA CA C 52.0 . 1 795 147 147 ALA CB C 20.0 . 1 796 147 147 ALA N N 123.1 . 1 797 148 148 GLU C C 177.7 . 1 798 148 148 GLU CA C 50.1 . 1 799 148 148 GLU CB C 28.0 . 1 800 148 148 GLU CG C 32.3 . 1 801 148 148 GLU CD C 183.8 . 1 802 148 148 GLU N N 137.5 . 1 803 149 149 PRO CA C 61.2 . 1 804 149 149 PRO CB C 30.8 . 1 805 149 149 PRO CG C 27.8 . 1 806 149 149 PRO CD C 50.0 . 1 807 149 149 PRO N N 136.6 . 1 808 150 150 ALA CA C 52.1 . 1 809 150 150 ALA CB C 20.1 . 1 810 150 150 ALA N N 123.1 . 1 811 151 151 GLY C C 171.4 . 1 812 151 151 GLY CA C 44.5 . 1 813 151 151 GLY N N 107.7 . 1 814 152 152 PRO C C 179.2 . 1 815 152 152 PRO CA C 64.9 . 1 816 152 152 PRO CB C 31.9 . 1 817 152 152 PRO CG C 25.5 . 1 818 152 152 PRO CD C 49.8 . 1 819 152 152 PRO N N 134.4 . 1 820 153 153 TRP C C 182.7 . 1 821 153 153 TRP CA C 62.9 . 1 822 153 153 TRP CB C 28.6 . 1 823 153 153 TRP CD1 C 129.9 . 4 824 153 153 TRP CD2 C 129.9 . 4 825 153 153 TRP N N 119.3 . 1 826 154 154 ALA C C 181.5 . 1 827 154 154 ALA CA C 55.2 . 1 828 154 154 ALA CB C 17.0 . 1 829 154 154 ALA N N 123.0 . 1 830 155 155 ASP C C 176.6 . 1 831 155 155 ASP CA C 54.5 . 1 832 155 155 ASP CB C 41.1 . 1 833 155 155 ASP CG C 181.3 . 1 834 155 155 ASP N N 117.1 . 1 835 156 156 ILE C C 177.1 . 1 836 156 156 ILE CA C 66.3 . 1 837 156 156 ILE CB C 38.1 . 1 838 156 156 ILE CG1 C 31.4 . 1 839 156 156 ILE CG2 C 18.7 . 1 840 156 156 ILE CD1 C 14.8 . 1 841 156 156 ILE N N 120.9 . 1 842 157 157 MET C C 173.7 . 1 843 157 157 MET CA C 60.5 . 1 844 157 157 MET CB C 30.0 . 1 845 157 157 MET CG C 29.1 . 1 846 157 157 MET CE C 18.2 . 1 847 157 157 MET N N 118.7 . 1 848 158 158 GLN C C 178.8 . 1 849 158 158 GLN CA C 56.2 . 1 850 158 158 GLN CB C 27.8 . 1 851 158 158 GLN CG C 32.4 . 1 852 158 158 GLN CD C 176.6 . 1 853 158 158 GLN N N 126.7 . 1 854 159 159 GLY C C 173.4 . 1 855 159 159 GLY CA C 45.0 . 1 856 159 159 GLY N N 118.8 . 1 857 160 160 PRO C C 177.8 . 1 858 160 160 PRO CA C 65.1 . 1 859 160 160 PRO CB C 31.7 . 1 860 160 160 PRO CG C 27.7 . 1 861 160 160 PRO CD C 51.0 . 1 862 160 160 PRO N N 135.0 . 1 863 161 161 SER C C 173.1 . 1 864 161 161 SER CA C 56.8 . 1 865 161 161 SER CB C 63.7 . 1 866 161 161 SER N N 112.6 . 1 867 162 162 GLU C C 176.7 . 1 868 162 162 GLU CA C 54.9 . 1 869 162 162 GLU CB C 32.2 . 1 870 162 162 GLU CG C 36.3 . 1 871 162 162 GLU CD C 184.3 . 1 872 162 162 GLU N N 125.7 . 1 873 163 163 SER C C 175.1 . 1 874 163 163 SER CA C 58.4 . 1 875 163 163 SER CB C 64.2 . 1 876 163 163 SER N N 127.4 . 1 877 164 164 PHE C C 177.1 . 1 878 164 164 PHE CA C 63.1 . 1 879 164 164 PHE CB C 39.3 . 1 880 164 164 PHE CG C 139.3 . 1 881 164 164 PHE N N 124.5 . 1 882 165 165 VAL C C 176.1 . 1 883 165 165 VAL CA C 67.1 . 1 884 165 165 VAL CB C 31.8 . 1 885 165 165 VAL CG1 C 24.0 . 1 886 165 165 VAL CG2 C 21.2 . 1 887 165 165 VAL N N 116.5 . 1 888 166 166 ASP C C 175.6 . 1 889 166 166 ASP CA C 58.3 . 1 890 166 166 ASP CB C 40.0 . 1 891 166 166 ASP CG C 179.5 . 1 892 166 166 ASP N N 121.3 . 1 893 167 167 PHE C C 175.4 . 1 894 167 167 PHE CA C 59.2 . 1 895 167 167 PHE CB C 39.1 . 1 896 167 167 PHE CG C 138.2 . 1 897 167 167 PHE N N 123.3 . 1 898 168 168 ALA C C 177.8 . 1 899 168 168 ALA CA C 54.6 . 1 900 168 168 ALA CB C 18.2 . 1 901 168 168 ALA N N 122.0 . 1 902 169 169 ASN C C 179.3 . 1 903 169 169 ASN CA C 56.6 . 1 904 169 169 ASN CB C 38.1 . 1 905 169 169 ASN CG C 180.5 . 1 906 169 169 ASN N N 115.2 . 1 907 170 170 ARG C C 177.8 . 1 908 170 170 ARG CA C 60.7 . 1 909 170 170 ARG CB C 31.1 . 1 910 170 170 ARG CG C 27.4 . 1 911 170 170 ARG CD C 43.9 . 1 912 170 170 ARG N N 120.6 . 1 913 171 171 LEU C C 178.3 . 1 914 171 171 LEU CA C 58.1 . 1 915 171 171 LEU CB C 41.7 . 1 916 171 171 LEU CG C 27.4 . 1 917 171 171 LEU CD1 C 26.6 . 1 918 171 171 LEU CD2 C 23.7 . 1 919 171 171 LEU N N 122.2 . 1 920 172 172 ILE C C 176.8 . 1 921 172 172 ILE CA C 66.1 . 1 922 172 172 ILE CB C 38.4 . 1 923 172 172 ILE CG1 C 30.0 . 1 924 172 172 ILE CG2 C 17.9 . 1 925 172 172 ILE CD1 C 14.9 . 1 926 172 172 ILE N N 119.0 . 1 927 173 173 LYS C C 179.5 . 1 928 173 173 LYS CA C 60.2 . 1 929 173 173 LYS CB C 32.8 . 1 930 173 173 LYS CG C 25.3 . 1 931 173 173 LYS CD C 30.7 . 1 932 173 173 LYS CE C 38.1 . 1 933 173 173 LYS N N 118.7 . 1 934 174 174 ALA C C 177.2 . 1 935 174 174 ALA CA C 54.9 . 1 936 174 174 ALA CB C 18.5 . 1 937 174 174 ALA N N 120.9 . 1 938 175 175 VAL C C 180.3 . 1 939 175 175 VAL CA C 67.2 . 1 940 175 175 VAL CB C 31.7 . 1 941 175 175 VAL CG1 C 22.4 . 1 942 175 175 VAL CG2 C 18.3 . 1 943 175 175 VAL N N 117.6 . 1 944 176 176 GLU C C 177.6 . 1 945 176 176 GLU CA C 60.1 . 1 946 176 176 GLU CB C 29.1 . 1 947 176 176 GLU CG C 34.4 . 1 948 176 176 GLU CD C 182.9 . 1 949 176 176 GLU N N 120.8 . 1 950 177 177 GLY C C 174.0 . 1 951 177 177 GLY CA C 45.0 . 1 952 177 177 GLY N N 103.0 . 1 953 178 178 SER C C 173.4 . 1 954 178 178 SER CA C 58.9 . 1 955 178 178 SER CB C 65.8 . 1 956 178 178 SER N N 117.7 . 1 957 179 179 ASP C C 177.9 . 1 958 179 179 ASP CA C 54.6 . 1 959 179 179 ASP CB C 41.0 . 1 960 179 179 ASP CG C 180.8 . 1 961 179 179 ASP N N 117.0 . 1 962 180 180 LEU C C 176.2 . 1 963 180 180 LEU CA C 54.9 . 1 964 180 180 LEU CB C 42.9 . 1 965 180 180 LEU CG C 27.3 . 1 966 180 180 LEU CD1 C 26.3 . 1 967 180 180 LEU CD2 C 23.9 . 1 968 180 180 LEU N N 122.4 . 1 969 181 181 PRO C C 175.9 . 1 970 181 181 PRO CA C 61.6 . 1 971 181 181 PRO CB C 31.3 . 1 972 181 181 PRO CG C 26.7 . 1 973 181 181 PRO CD C 50.0 . 1 974 181 181 PRO N N 138.0 . 1 975 182 182 PRO C C 179.1 . 1 976 182 182 PRO CA C 66.8 . 1 977 182 182 PRO CB C 32.4 . 1 978 182 182 PRO CG C 27.9 . 1 979 182 182 PRO CD C 49.9 . 1 980 182 182 PRO N N 136.2 . 1 981 183 183 SER C C 174.8 . 1 982 183 183 SER CA C 60.5 . 1 983 183 183 SER CB C 62.6 . 1 984 183 183 SER N N 110.3 . 1 985 184 184 ALA C C 177.7 . 1 986 184 184 ALA CA C 51.9 . 1 987 184 184 ALA CB C 20.0 . 1 988 184 184 ALA N N 122.2 . 1 989 185 185 ARG C C 176.4 . 1 990 185 185 ARG CA C 61.0 . 1 991 185 185 ARG CB C 30.4 . 1 992 185 185 ARG CG C 27.8 . 1 993 185 185 ARG CD C 44.4 . 1 994 185 185 ARG N N 115.8 . 1 995 186 186 ALA C C 176.0 . 1 996 186 186 ALA CA C 57.1 . 1 997 186 186 ALA CB C 15.5 . 1 998 186 186 ALA N N 119.2 . 1 999 187 187 PRO C C 179.3 . 1 1000 187 187 PRO CA C 66.0 . 1 1001 187 187 PRO CB C 31.6 . 1 1002 187 187 PRO CG C 27.7 . 1 1003 187 187 PRO CD C 49.4 . 1 1004 187 187 PRO N N 131.7 . 1 1005 188 188 VAL C C 176.2 . 1 1006 188 188 VAL CA C 67.2 . 1 1007 188 188 VAL CB C 31.7 . 1 1008 188 188 VAL CG1 C 22.4 . 1 1009 188 188 VAL CG2 C 21.2 . 1 1010 188 188 VAL N N 117.6 . 1 1011 189 189 ILE C C 176.9 . 1 1012 189 189 ILE CA C 66.3 . 1 1013 189 189 ILE CB C 38.1 . 1 1014 189 189 ILE CG1 C 31.4 . 1 1015 189 189 ILE CG2 C 18.9 . 1 1016 189 189 ILE CD1 C 14.7 . 1 1017 189 189 ILE N N 120.8 . 1 1018 190 190 ILE C C 180.2 . 1 1019 190 190 ILE CA C 66.6 . 1 1020 190 190 ILE CB C 37.8 . 1 1021 190 190 ILE CG1 C 24.6 . 1 1022 190 190 ILE CG2 C 18.2 . 1 1023 190 190 ILE CD1 C 13.3 . 1 1024 190 190 ILE N N 117.2 . 1 1025 191 191 ASP C C 176.3 . 1 1026 191 191 ASP CA C 58.1 . 1 1027 191 191 ASP CB C 40.2 . 1 1028 191 191 ASP CG C 179.8 . 1 1029 191 191 ASP N N 121.2 . 1 1030 192 192 CYS C C 177.9 . 1 1031 192 192 CYS CA C 56.8 . 1 1032 192 192 CYS CB C 27.2 . 1 1033 192 192 CYS N N 118.5 . 1 1034 193 193 PHE C C 177.7 . 1 1035 193 193 PHE CA C 62.0 . 1 1036 193 193 PHE CB C 39.5 . 1 1037 193 193 PHE N N 118.5 . 1 1038 194 194 ARG C C 178.1 . 1 1039 194 194 ARG CA C 60.1 . 1 1040 194 194 ARG CB C 31.4 . 1 1041 194 194 ARG CG C 28.8 . 1 1042 194 194 ARG CD C 43.8 . 1 1043 194 194 ARG CZ C 152.9 . 1 1044 194 194 ARG N N 116.3 . 1 1045 195 195 GLN C C 177.9 . 1 1046 195 195 GLN CA C 57.3 . 1 1047 195 195 GLN CB C 32.1 . 1 1048 195 195 GLN CG C 34.0 . 1 1049 195 195 GLN CD C 178.8 . 1 1050 195 195 GLN N N 113.0 . 1 1051 196 196 LYS C C 177.4 . 1 1052 196 196 LYS CA C 55.6 . 1 1053 196 196 LYS CB C 29.4 . 1 1054 196 196 LYS CG C 27.7 . 1 1055 196 196 LYS CE C 42.3 . 1 1056 196 196 LYS N N 115.1 . 1 1057 197 197 SER C C 172.2 . 1 1058 197 197 SER CA C 57.3 . 1 1059 197 197 SER CB C 65.1 . 1 1060 197 197 SER N N 113.1 . 1 1061 198 198 GLN C C 175.5 . 1 1062 198 198 GLN CA C 55.8 . 1 1063 198 198 GLN CB C 28.4 . 1 1064 198 198 GLN CG C 32.9 . 1 1065 198 198 GLN CD C 180.6 . 1 1066 198 198 GLN N N 121.0 . 1 1067 199 199 PRO C C 178.2 . 1 1068 199 199 PRO CA C 67.0 . 1 1069 199 199 PRO CB C 32.1 . 1 1070 199 199 PRO CG C 27.9 . 1 1071 199 199 PRO CD C 49.9 . 1 1072 199 199 PRO N N 137.0 . 1 1073 200 200 ASP C C 178.6 . 1 1074 200 200 ASP CA C 57.2 . 1 1075 200 200 ASP CB C 39.3 . 1 1076 200 200 ASP CG C 174.3 . 1 1077 200 200 ASP N N 115.9 . 1 1078 201 201 ILE C C 178.3 . 1 1079 201 201 ILE CA C 62.6 . 1 1080 201 201 ILE CB C 36.3 . 1 1081 201 201 ILE CG1 C 27.9 . 1 1082 201 201 ILE CG2 C 18.5 . 1 1083 201 201 ILE CD1 C 10.6 . 1 1084 201 201 ILE N N 123.4 . 1 1085 202 202 GLN C C 177.5 . 1 1086 202 202 GLN CA C 60.3 . 1 1087 202 202 GLN CB C 28.9 . 1 1088 202 202 GLN CG C 34.6 . 1 1089 202 202 GLN CD C 182.6 . 1 1090 202 202 GLN N N 119.7 . 1 1091 203 203 GLN C C 178.5 . 1 1092 203 203 GLN CA C 61.0 . 1 1093 203 203 GLN CB C 27.9 . 1 1094 203 203 GLN CG C 33.0 . 1 1095 203 203 GLN CD C 182.5 . 1 1096 203 203 GLN N N 115.7 . 1 1097 204 204 LEU C C 179.3 . 1 1098 204 204 LEU CA C 58.0 . 1 1099 204 204 LEU CB C 42.4 . 1 1100 204 204 LEU CG C 26.6 . 1 1101 204 204 LEU CD1 C 25.2 . 1 1102 204 204 LEU CD2 C 24.4 . 1 1103 204 204 LEU N N 120.9 . 1 1104 205 205 ILE C C 177.2 . 1 1105 205 205 ILE CA C 66.1 . 1 1106 205 205 ILE CB C 38.4 . 1 1107 205 205 ILE CG1 C 29.8 . 1 1108 205 205 ILE CG2 C 17.9 . 1 1109 205 205 ILE CD1 C 14.8 . 1 1110 205 205 ILE N N 119.0 . 1 1111 206 206 ARG C C 177.4 . 1 1112 206 206 ARG CA C 60.5 . 1 1113 206 206 ARG CB C 31.2 . 1 1114 206 206 ARG CG C 28.9 . 1 1115 206 206 ARG CD C 43.9 . 1 1116 206 206 ARG N N 119.8 . 1 1117 207 207 THR C C 177.0 . 1 1118 207 207 THR CA C 66.2 . 1 1119 207 207 THR CB C 68.1 . 1 1120 207 207 THR CG2 C 18.0 . 1 1121 207 207 THR N N 118.9 . 1 1122 208 208 ALA C C 174.4 . 1 1123 208 208 ALA CA C 50.4 . 1 1124 208 208 ALA CB C 22.4 . 1 1125 208 208 ALA N N 125.0 . 1 1126 209 209 PRO C C 177.3 . 1 1127 209 209 PRO CA C 63.0 . 1 1128 209 209 PRO CB C 34.3 . 1 1129 209 209 PRO CG C 28.2 . 1 1130 209 209 PRO CD C 49.3 . 1 1131 209 209 PRO N N 135.5 . 1 1132 210 210 SER C C 173.4 . 1 1133 210 210 SER CA C 58.9 . 1 1134 210 210 SER CB C 65.8 . 1 1135 210 210 SER N N 117.4 . 1 1136 211 211 THR C C 175.5 . 1 1137 211 211 THR CA C 68.1 . 1 1138 211 211 THR CB C 69.0 . 1 1139 211 211 THR CG2 C 22.4 . 1 1140 211 211 THR N N 117.2 . 1 1141 212 212 LEU C C 174.4 . 1 1142 212 212 LEU CA C 53.7 . 1 1143 212 212 LEU CB C 44.7 . 1 1144 212 212 LEU CG C 27.1 . 1 1145 212 212 LEU CD1 C 27.0 . 1 1146 212 212 LEU CD2 C 24.7 . 1 1147 212 212 LEU N N 124.5 . 1 1148 213 213 THR C C 174.5 . 1 1149 213 213 THR CA C 62.9 . 1 1150 213 213 THR CB C 71.0 . 1 1151 213 213 THR CG2 C 21.8 . 1 1152 213 213 THR N N 111.8 . 1 1153 214 214 THR C C 173.3 . 1 1154 214 214 THR CA C 58.1 . 1 1155 214 214 THR CB C 69.8 . 1 1156 214 214 THR CG2 C 22.3 . 1 1157 214 214 THR N N 110.3 . 1 1158 215 215 PRO C C 179.5 . 1 1159 215 215 PRO CA C 66.0 . 1 1160 215 215 PRO CB C 31.6 . 1 1161 215 215 PRO CG C 27.7 . 1 1162 215 215 PRO CD C 49.3 . 1 1163 215 215 PRO N N 131.7 . 1 1164 216 216 GLY C C 175.9 . 1 1165 216 216 GLY CA C 47.4 . 1 1166 216 216 GLY N N 103.1 . 1 1167 217 217 GLU C C 179.5 . 1 1168 217 217 GLU CA C 60.2 . 1 1169 217 217 GLU CB C 28.9 . 1 1170 217 217 GLU CG C 34.4 . 1 1171 217 217 GLU CD C 181.0 . 1 1172 217 217 GLU N N 120.1 . 1 1173 218 218 ILE C C 178.2 . 1 1174 218 218 ILE CA C 62.6 . 1 1175 218 218 ILE CB C 37.1 . 1 1176 218 218 ILE CG1 C 28.2 . 1 1177 218 218 ILE CG2 C 16.8 . 1 1178 218 218 ILE CD1 C 12.9 . 1 1179 218 218 ILE N N 121.1 . 1 1180 219 219 ILE C C 176.3 . 1 1181 219 219 ILE CA C 66.5 . 1 1182 219 219 ILE CB C 38.1 . 1 1183 219 219 ILE CG1 C 31.4 . 1 1184 219 219 ILE CG2 C 18.8 . 1 1185 219 219 ILE CD1 C 14.9 . 1 1186 219 219 ILE N N 120.3 . 1 1187 220 220 LYS C C 179.0 . 1 1188 220 220 LYS CA C 59.7 . 1 1189 220 220 LYS CB C 33.0 . 1 1190 220 220 LYS CG C 25.1 . 1 1191 220 220 LYS CD C 28.0 . 1 1192 220 220 LYS CE C 37.4 . 1 1193 220 220 LYS N N 117.3 . 1 1194 221 221 TYR C C 176.1 . 1 1195 221 221 TYR CA C 63.0 . 1 1196 221 221 TYR CB C 38.9 . 1 1197 221 221 TYR CD1 C 131.1 . 3 1198 221 221 TYR N N 119.0 . 1 1199 222 222 VAL C C 177.2 . 1 1200 222 222 VAL CA C 66.0 . 1 1201 222 222 VAL CB C 30.0 . 1 1202 222 222 VAL CG1 C 18.6 . 1 1203 222 222 VAL CG2 C 17.9 . 1 1204 222 222 VAL N N 118.8 . 1 1205 223 223 LEU C C 178.5 . 1 1206 223 223 LEU CA C 58.0 . 1 1207 223 223 LEU CB C 41.4 . 1 1208 223 223 LEU CG C 26.9 . 1 1209 223 223 LEU CD1 C 25.2 . 1 1210 223 223 LEU CD2 C 22.2 . 1 1211 223 223 LEU N N 119.1 . 1 1212 224 224 ASP C C 176.7 . 1 1213 224 224 ASP CA C 56.9 . 1 1214 224 224 ASP CB C 40.6 . 1 1215 224 224 ASP CG C 179.8 . 1 1216 224 224 ASP N N 119.6 . 1 1217 225 225 ARG C C 178.4 . 1 1218 225 225 ARG CA C 56.4 . 1 1219 225 225 ARG CB C 29.7 . 1 1220 225 225 ARG CG C 27.0 . 1 1221 225 225 ARG CD C 43.3 . 1 1222 225 225 ARG N N 118.4 . 1 1223 226 226 GLN C C 178.9 . 1 1224 226 226 GLN CA C 59.2 . 1 1225 226 226 GLN CB C 29.4 . 1 1226 226 226 GLN CG C 35.9 . 1 1227 226 226 GLN CD C 182.9 . 1 1228 226 226 GLN N N 118.5 . 1 1229 227 227 LYS C C 176.1 . 1 1230 227 227 LYS CA C 57.8 . 1 1231 227 227 LYS CB C 31.2 . 1 1232 227 227 LYS CG C 24.4 . 1 1233 227 227 LYS CD C 28.4 . 1 1234 227 227 LYS CE C 43.3 . 1 1235 227 227 LYS N N 119.6 . 1 1236 228 228 THR C C 174.1 . 1 1237 228 228 THR CA C 55.5 . 1 1238 228 228 THR CB C 64.7 . 1 1239 228 228 THR CG2 C 19.3 . 1 1240 228 228 THR N N 114.4 . 1 1241 231 231 LEU C C 176.1 . 1 1242 231 231 LEU CA C 53.8 . 1 1243 231 231 LEU CB C 41.2 . 1 1244 231 231 LEU CG C 28.7 . 1 1245 231 231 LEU CD1 C 23.8 . 1 1246 232 232 THR C C 174.5 . 1 1247 232 232 THR CA C 63.9 . 1 1248 232 232 THR CB C 69.8 . 1 1249 232 232 THR CG2 C 21.6 . 1 1250 233 233 ASP C C 176.4 . 1 1251 233 233 ASP CA C 54.3 . 1 1252 233 233 ASP CB C 42.3 . 1 1253 233 233 ASP CG C 180.1 . 1 1254 234 234 GLN C C 176.2 . 1 1255 234 234 GLN CA C 55.7 . 1 1256 234 234 GLN CB C 30.5 . 1 1257 234 234 GLN CG C 33.8 . 1 1258 235 235 GLY C C 173.6 . 1 1259 235 235 GLY CA C 46.8 . 1 1260 236 236 ILE C C 174.3 . 1 1261 236 236 ILE CA C 61.2 . 1 1262 236 236 ILE CB C 39.1 . 1 1263 236 236 ILE CG1 C 27.7 . 1 1264 236 236 ILE CG2 C 17.5 . 1 1265 236 236 ILE CD1 C 13.1 . 1 1266 237 237 ALA C C 182.1 . 1 1267 237 237 ALA CA C 54.2 . 1 1268 237 237 ALA CB C 20.2 . 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 823 824 stop_ save_