data_11549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DnaT C-terminal domain ; _BMRB_accession_number 11549 _BMRB_flat_file_name bmr11549.str _Entry_type original _Submission_date 2014-01-28 _Accession_date 2014-01-29 _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 Abe Yoshito . . 2 Tani Junya . . 3 Fujiyama Saki . . 4 Urabe Masashi . . 5 Sato Kenji . . 6 Aramaki Takahiko . . 7 Katayama Tsutomu . . 8 Ueda Tadashi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 535 "13C chemical shifts" 397 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-06 original author . stop_ _Original_release_date 2014-10-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and a novel mechanism of the primosome protein DnaT: formation of DnaT-ssDNA complex and dissociation of ssDNA from PriB-ssDNA complex.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fujiyama Saki . . 2 Abe Yoshito . . 3 Tani Junya . . 4 Urabe Masashi . . 5 Sato Kenji . . 6 Aramaki Takahiko . . 7 Katayama Tsutomu . . 8 Ueda Tadashi . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name DnaT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DnaT $DnaT 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_DnaT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DnaT _Molecular_mass 10408.844 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; MFAMYPDWQPDADFIRLAAL WGVALREPVTTEELASFIAY WQAEGKVFHHVQWQQKLARS LQIGRASNGGLPKRDVNTVS EPDSQIPPGFRGHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 88 MET 2 89 PHE 3 90 ALA 4 91 MET 5 92 TYR 6 93 PRO 7 94 ASP 8 95 TRP 9 96 GLN 10 97 PRO 11 98 ASP 12 99 ALA 13 100 ASP 14 101 PHE 15 102 ILE 16 103 ARG 17 104 LEU 18 105 ALA 19 106 ALA 20 107 LEU 21 108 TRP 22 109 GLY 23 110 VAL 24 111 ALA 25 112 LEU 26 113 ARG 27 114 GLU 28 115 PRO 29 116 VAL 30 117 THR 31 118 THR 32 119 GLU 33 120 GLU 34 121 LEU 35 122 ALA 36 123 SER 37 124 PHE 38 125 ILE 39 126 ALA 40 127 TYR 41 128 TRP 42 129 GLN 43 130 ALA 44 131 GLU 45 132 GLY 46 133 LYS 47 134 VAL 48 135 PHE 49 136 HIS 50 137 HIS 51 138 VAL 52 139 GLN 53 140 TRP 54 141 GLN 55 142 GLN 56 143 LYS 57 144 LEU 58 145 ALA 59 146 ARG 60 147 SER 61 148 LEU 62 149 GLN 63 150 ILE 64 151 GLY 65 152 ARG 66 153 ALA 67 154 SER 68 155 ASN 69 156 GLY 70 157 GLY 71 158 LEU 72 159 PRO 73 160 LYS 74 161 ARG 75 162 ASP 76 163 VAL 77 164 ASN 78 165 THR 79 166 VAL 80 167 SER 81 168 GLU 82 169 PRO 83 170 ASP 84 171 SER 85 172 GLN 86 173 ILE 87 174 PRO 88 175 PRO 89 176 GLY 90 177 PHE 91 178 ARG 92 179 GLY 93 180 HIS 94 181 HIS 95 182 HIS 96 183 HIS 97 184 HIS 98 185 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2RU8 "Dnat C-terminal Domain" 100.00 98 100.00 100.00 1.68e-65 PDB 4OU6 "Crystal Structure Of Dnat84-153-dt10 Ssdna Complex Form 1" 72.45 76 100.00 100.00 1.77e-43 PDB 4OU7 "Crystal Structure Of Dnat84-153-dt10 Ssdna Complex Reveals A Novel Single-stranded Dna Binding Mode" 67.35 71 100.00 100.00 3.35e-39 DBJ BAB38745 "primosomal protein DnaT [Escherichia coli O157:H7 str. Sakai]" 92.86 179 100.00 100.00 1.11e-59 DBJ BAE78352 "DNA biosynthesis protein [Escherichia coli str. K12 substr. W3110]" 92.86 179 100.00 100.00 1.03e-59 DBJ BAG80162 "primosomal protein I [Escherichia coli SE11]" 92.86 179 98.90 98.90 3.62e-59 DBJ BAI28689 "DNA biosynthesis protein DnaT [Escherichia coli O26:H11 str. 11368]" 92.86 179 100.00 100.00 1.03e-59 DBJ BAI33823 "DNA biosynthesis protein DnaT [Escherichia coli O103:H2 str. 12009]" 92.86 179 100.00 100.00 1.03e-59 EMBL CAP78850 "Primosomal protein 1 [Escherichia coli LF82]" 92.86 179 97.80 97.80 7.58e-58 EMBL CAQ34722 "dnaT, subunit of primosome [Escherichia coli BL21(DE3)]" 92.86 179 100.00 100.00 1.03e-59 EMBL CAR01325 "DNA biosynthesis protein (primosomal protein I) [Escherichia coli IAI1]" 92.86 179 98.90 98.90 3.62e-59 EMBL CAR06127 "DNA biosynthesis protein (primosomal protein I) [Escherichia coli S88]" 92.86 179 100.00 100.00 1.03e-59 EMBL CAR16096 "DNA biosynthesis protein (primosomal protein I) [Escherichia coli UMN026]" 92.86 179 98.90 98.90 6.58e-59 GB AAA23699 "prepriming protein I [Escherichia coli]" 92.86 179 100.00 100.00 1.03e-59 GB AAA97261 "CG Site No. 839 [Escherichia coli str. K-12 substr. MG1655]" 92.86 179 100.00 100.00 1.03e-59 GB AAC77318 "DNA biosynthesis protein (primosomal protein I) [Escherichia coli str. K-12 substr. MG1655]" 92.86 179 100.00 100.00 1.03e-59 GB AAG59545 "DNA biosynthesis; primosomal protein i [Escherichia coli O157:H7 str. EDL933]" 92.86 179 100.00 100.00 1.11e-59 GB AAN45808 "primosomal protein i [Shigella flexneri 2a str. 301]" 92.86 179 100.00 100.00 1.03e-59 REF NP_313349 "primosomal protein DnaI [Escherichia coli O157:H7 str. Sakai]" 92.86 179 100.00 100.00 1.11e-59 REF NP_418782 "DNA biosynthesis protein (primosomal protein I) [Escherichia coli str. K-12 substr. MG1655]" 92.86 179 100.00 100.00 1.03e-59 REF NP_710101 "primosomal protein DnaI [Shigella flexneri 2a str. 301]" 92.86 179 100.00 100.00 1.03e-59 REF WP_000098809 "primosomal protein DnaI [Escherichia coli]" 92.86 179 100.00 100.00 1.06e-59 REF WP_000098810 "primosomal protein DnaI [Escherichia coli]" 92.86 179 100.00 100.00 8.90e-60 SP A1AJN5 "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" 92.86 179 97.80 97.80 7.58e-58 SP A7ZVQ2 "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" 92.86 179 100.00 100.00 1.03e-59 SP A8A891 "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" 92.86 179 98.90 98.90 3.62e-59 SP B1IS56 "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" 92.86 179 100.00 100.00 7.01e-60 SP B1LEG6 "RecName: Full=Primosomal protein 1; AltName: Full=Primosomal protein I" 92.86 179 100.00 100.00 1.03e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DnaT 'E.. coli' 562 Eubacteria . Escherichia coli 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 $DnaT 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET22b 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 $DnaT 0.5 mM '[U-99% 13C; U-99% 15N]' HEPES 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DnaT 0.1 mM '[U-99% 15N]' HEPES 20 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'prediction of torsion angle' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_olivia _Saveframe_category software _Name olivia _Version . loop_ _Vendor _Address _Electronic_address 'olivia developer team' 'hokkaido university in japan' http://fermi.pharm.hokudai.ac.jp/olivia/ stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 0 . M pH 7.0 . 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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 internal 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-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' 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 DnaT _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 88 1 MET HA H 3.463 0.007 1 2 88 1 MET HB2 H 1.561 0.015 1 3 88 1 MET HB3 H 1.389 0.008 1 4 88 1 MET HG2 H 2.102 0.017 1 5 88 1 MET HG3 H 1.755 0.007 1 6 88 1 MET HE H 1.865 0.768 1 7 88 1 MET C C 174.375 0.000 1 8 88 1 MET CA C 55.879 0.029 1 9 88 1 MET CB C 35.765 0.112 1 10 88 1 MET CG C 30.843 0.036 1 11 88 1 MET CE C 17.019 0.075 1 12 89 2 PHE H H 8.216 0.006 1 13 89 2 PHE HA H 5.108 0.007 1 14 89 2 PHE HB2 H 3.430 0.014 2 15 89 2 PHE HB3 H 3.430 0.014 2 16 89 2 PHE HD1 H 7.487 0.024 3 17 89 2 PHE HD2 H 7.487 0.024 3 18 89 2 PHE HE1 H 7.353 0.022 3 19 89 2 PHE HE2 H 7.353 0.022 3 20 89 2 PHE HZ H 8.129 0.039 1 21 89 2 PHE C C 175.016 0.000 1 22 89 2 PHE CA C 55.928 0.134 1 23 89 2 PHE CB C 40.837 0.064 1 24 89 2 PHE CD1 C 132.746 0.396 3 25 89 2 PHE CD2 C 132.746 0.396 3 26 89 2 PHE CE1 C 130.658 0.000 3 27 89 2 PHE CE2 C 130.658 0.000 3 28 89 2 PHE CZ C 127.852 0.468 1 29 89 2 PHE N N 116.742 0.000 1 30 90 3 ALA H H 8.917 0.011 1 31 90 3 ALA HA H 5.166 0.016 1 32 90 3 ALA HB H 1.509 0.019 1 33 90 3 ALA C C 177.664 0.000 1 34 90 3 ALA CA C 51.102 0.181 1 35 90 3 ALA CB C 19.375 0.242 1 36 90 3 ALA N N 126.045 0.000 1 37 91 4 MET H H 9.182 0.006 1 38 91 4 MET HA H 3.953 0.012 1 39 91 4 MET HB2 H 1.181 0.007 1 40 91 4 MET HB3 H 0.930 0.008 1 41 91 4 MET HG2 H 1.930 0.017 2 42 91 4 MET HG3 H 1.930 0.017 2 43 91 4 MET HE H -0.713 0.006 1 44 91 4 MET C C 173.215 0.000 1 45 91 4 MET CA C 54.340 0.213 1 46 91 4 MET CB C 29.193 0.259 1 47 91 4 MET CG C 31.988 0.000 1 48 91 4 MET CE C 12.347 0.645 1 49 91 4 MET N N 122.626 0.000 1 50 92 5 TYR H H 7.049 0.007 1 51 92 5 TYR HA H 5.139 0.009 1 52 92 5 TYR HB2 H 3.130 0.008 1 53 92 5 TYR HB3 H 2.980 0.022 1 54 92 5 TYR HD1 H 7.426 0.012 3 55 92 5 TYR HD2 H 7.426 0.012 3 56 92 5 TYR HE1 H 6.418 0.020 3 57 92 5 TYR HE2 H 6.418 0.020 3 58 92 5 TYR CA C 53.536 0.000 1 59 92 5 TYR CB C 38.308 0.039 1 60 92 5 TYR CD1 C 133.425 0.098 3 61 92 5 TYR CD2 C 133.425 0.098 3 62 92 5 TYR CE1 C 117.320 0.067 3 63 92 5 TYR CE2 C 117.320 0.067 3 64 92 5 TYR N N 119.564 0.000 1 65 93 6 PRO HA H 4.214 0.007 1 66 93 6 PRO HB2 H 1.977 0.001 1 67 93 6 PRO HB3 H 2.423 0.008 1 68 93 6 PRO HG2 H 2.216 0.030 1 69 93 6 PRO HG3 H 2.085 0.005 1 70 93 6 PRO HD2 H 3.863 0.038 1 71 93 6 PRO HD3 H 3.958 0.008 1 72 93 6 PRO C C 177.180 0.000 1 73 93 6 PRO CA C 65.958 0.089 1 74 93 6 PRO CB C 33.089 0.323 1 75 93 6 PRO CG C 28.512 0.196 1 76 93 6 PRO CD C 51.089 0.235 1 77 94 7 ASP H H 7.484 0.006 1 78 94 7 ASP HA H 4.759 0.045 1 79 94 7 ASP HB2 H 2.973 0.006 1 80 94 7 ASP HB3 H 2.626 0.028 1 81 94 7 ASP C C 174.606 0.000 1 82 94 7 ASP CA C 53.462 0.277 1 83 94 7 ASP CB C 41.050 0.232 1 84 94 7 ASP N N 112.233 0.000 1 85 95 8 TRP H H 7.103 0.007 1 86 95 8 TRP HA H 3.526 0.009 1 87 95 8 TRP HB2 H 2.920 0.010 1 88 95 8 TRP HB3 H 1.765 0.019 1 89 95 8 TRP HD1 H 7.335 0.034 1 90 95 8 TRP HE1 H 8.947 0.010 1 91 95 8 TRP HE3 H 7.261 0.014 1 92 95 8 TRP HZ2 H 7.138 0.019 1 93 95 8 TRP HZ3 H 6.586 0.034 1 94 95 8 TRP HH2 H 6.381 0.017 1 95 95 8 TRP C C 174.002 0.000 1 96 95 8 TRP CA C 61.011 0.087 1 97 95 8 TRP CB C 29.434 0.174 1 98 95 8 TRP CD1 C 126.220 0.122 1 99 95 8 TRP CE3 C 119.937 0.207 1 100 95 8 TRP CZ2 C 112.722 0.447 1 101 95 8 TRP CZ3 C 118.776 0.892 1 102 95 8 TRP CH2 C 120.336 0.542 1 103 95 8 TRP N N 124.798 0.000 1 104 95 8 TRP NE1 N 128.456 0.000 1 105 96 9 GLN H H 6.382 0.006 1 106 96 9 GLN HA H 4.154 0.004 1 107 96 9 GLN HB2 H 1.851 0.018 1 108 96 9 GLN HB3 H 1.396 0.007 1 109 96 9 GLN HG2 H 2.146 0.045 1 110 96 9 GLN HG3 H 0.953 0.018 1 111 96 9 GLN HE21 H 7.352 0.002 1 112 96 9 GLN HE22 H 6.608 0.002 1 113 96 9 GLN CA C 52.080 0.118 1 114 96 9 GLN CB C 32.074 0.042 1 115 96 9 GLN CG C 33.109 0.164 1 116 96 9 GLN N N 121.003 0.000 1 117 96 9 GLN NE2 N 111.950 0.000 1 118 97 10 PRO HA H 3.778 0.012 1 119 97 10 PRO HB2 H 1.741 0.007 1 120 97 10 PRO HB3 H 1.473 0.004 1 121 97 10 PRO HG2 H 1.411 0.001 1 122 97 10 PRO HG3 H 0.961 0.006 1 123 97 10 PRO HD2 H 3.216 0.007 1 124 97 10 PRO HD3 H 2.670 0.014 1 125 97 10 PRO C C 174.667 0.000 1 126 97 10 PRO CA C 60.935 0.071 1 127 97 10 PRO CB C 33.045 0.000 1 128 97 10 PRO CG C 26.005 0.009 1 129 97 10 PRO CD C 49.573 0.045 1 130 98 11 ASP H H 8.388 0.008 1 131 98 11 ASP HA H 4.463 0.019 1 132 98 11 ASP HB2 H 2.985 0.019 1 133 98 11 ASP HB3 H 2.759 0.002 1 134 98 11 ASP C C 177.692 0.000 1 135 98 11 ASP CA C 54.846 0.056 1 136 98 11 ASP CB C 42.032 0.026 1 137 98 11 ASP N N 119.554 0.000 1 138 99 12 ALA H H 8.999 0.006 1 139 99 12 ALA HA H 4.128 0.006 1 140 99 12 ALA HB H 1.461 0.008 1 141 99 12 ALA C C 179.075 0.000 1 142 99 12 ALA CA C 55.061 0.393 1 143 99 12 ALA CB C 18.228 0.241 1 144 99 12 ALA N N 124.178 0.000 1 145 100 13 ASP H H 8.648 0.008 1 146 100 13 ASP HA H 4.836 0.016 1 147 100 13 ASP HB2 H 2.794 0.017 2 148 100 13 ASP HB3 H 2.794 0.017 2 149 100 13 ASP C C 175.598 0.000 1 150 100 13 ASP CA C 52.531 0.025 1 151 100 13 ASP CB C 39.449 0.189 1 152 100 13 ASP N N 115.279 0.000 1 153 101 14 PHE H H 7.568 0.007 1 154 101 14 PHE HA H 3.973 0.014 1 155 101 14 PHE HB2 H 3.809 0.013 1 156 101 14 PHE HB3 H 2.808 0.009 1 157 101 14 PHE HD1 H 7.232 0.027 3 158 101 14 PHE HD2 H 7.232 0.027 3 159 101 14 PHE HE1 H 7.184 0.030 3 160 101 14 PHE HE2 H 7.184 0.030 3 161 101 14 PHE C C 174.845 0.000 1 162 101 14 PHE CA C 62.145 0.123 1 163 101 14 PHE CB C 40.614 0.233 1 164 101 14 PHE CD1 C 131.186 0.197 3 165 101 14 PHE CD2 C 131.186 0.197 3 166 101 14 PHE CE1 C 128.921 0.000 3 167 101 14 PHE CE2 C 128.921 0.000 3 168 101 14 PHE N N 119.490 0.000 1 169 102 15 ILE H H 8.543 0.007 1 170 102 15 ILE HA H 3.312 0.012 1 171 102 15 ILE HB H 1.807 0.012 1 172 102 15 ILE HG12 H 1.528 0.013 1 173 102 15 ILE HG13 H 1.272 0.012 1 174 102 15 ILE HG2 H 0.804 0.011 1 175 102 15 ILE HD1 H 0.684 0.012 1 176 102 15 ILE C C 178.182 0.000 1 177 102 15 ILE CA C 64.818 0.174 1 178 102 15 ILE CB C 36.323 0.649 1 179 102 15 ILE CG1 C 28.654 0.270 1 180 102 15 ILE CG2 C 17.104 0.043 1 181 102 15 ILE CD1 C 11.711 0.342 1 182 102 15 ILE N N 116.281 0.000 1 183 103 16 ARG H H 7.404 0.006 1 184 103 16 ARG HA H 3.935 0.006 1 185 103 16 ARG HB2 H 1.918 0.004 1 186 103 16 ARG HB3 H 1.796 0.012 1 187 103 16 ARG HG2 H 1.573 0.031 1 188 103 16 ARG HG3 H 1.351 0.019 1 189 103 16 ARG HD2 H 3.238 0.004 2 190 103 16 ARG HD3 H 3.238 0.004 2 191 103 16 ARG C C 178.981 0.000 1 192 103 16 ARG CA C 59.060 0.315 1 193 103 16 ARG CB C 30.547 0.263 1 194 103 16 ARG CG C 27.407 0.341 1 195 103 16 ARG CD C 43.294 0.024 1 196 103 16 ARG N N 121.847 0.000 1 197 104 17 LEU H H 7.589 0.009 1 198 104 17 LEU HA H 3.208 0.016 1 199 104 17 LEU HB2 H 1.202 0.022 1 200 104 17 LEU HB3 H 0.280 0.012 1 201 104 17 LEU HG H 0.756 0.011 1 202 104 17 LEU HD1 H 0.925 0.027 1 203 104 17 LEU HD2 H 0.632 0.013 1 204 104 17 LEU C C 177.318 0.000 1 205 104 17 LEU CA C 57.213 0.135 1 206 104 17 LEU CB C 40.896 0.119 1 207 104 17 LEU CG C 28.611 0.224 1 208 104 17 LEU CD1 C 25.309 0.506 1 209 104 17 LEU CD2 C 22.512 0.738 1 210 104 17 LEU N N 121.274 0.000 1 211 105 18 ALA H H 8.225 0.006 1 212 105 18 ALA HA H 3.599 0.015 1 213 105 18 ALA HB H 0.862 0.012 1 214 105 18 ALA C C 179.420 0.000 1 215 105 18 ALA CA C 54.900 0.424 1 216 105 18 ALA CB C 16.948 0.165 1 217 105 18 ALA N N 117.712 0.000 1 218 106 19 ALA H H 7.058 0.006 1 219 106 19 ALA HA H 3.836 0.014 1 220 106 19 ALA HB H 1.350 0.039 1 221 106 19 ALA C C 182.351 0.000 1 222 106 19 ALA CA C 54.900 0.221 1 223 106 19 ALA CB C 17.836 0.330 1 224 106 19 ALA N N 118.649 0.000 1 225 107 20 LEU H H 7.470 0.007 1 226 107 20 LEU HA H 3.988 0.008 1 227 107 20 LEU HB2 H 1.542 0.012 1 228 107 20 LEU HB3 H 1.356 0.006 1 229 107 20 LEU HG H 1.584 0.004 1 230 107 20 LEU HD1 H 0.739 0.009 1 231 107 20 LEU HD2 H 0.736 0.014 1 232 107 20 LEU C C 179.345 0.000 1 233 107 20 LEU CA C 57.484 0.153 1 234 107 20 LEU CB C 40.855 0.082 1 235 107 20 LEU CG C 27.064 0.033 1 236 107 20 LEU CD1 C 24.842 1.479 1 237 107 20 LEU CD2 C 23.233 0.202 1 238 107 20 LEU N N 122.144 0.000 1 239 108 21 TRP H H 7.449 0.010 1 240 108 21 TRP HA H 4.927 0.012 1 241 108 21 TRP HB2 H 3.433 0.005 1 242 108 21 TRP HB3 H 3.290 0.016 1 243 108 21 TRP HD1 H 7.058 0.015 1 244 108 21 TRP HE1 H 10.287 0.018 1 245 108 21 TRP HE3 H 7.003 0.024 1 246 108 21 TRP HZ2 H 7.388 0.008 1 247 108 21 TRP HZ3 H 6.674 0.011 1 248 108 21 TRP HH2 H 5.894 0.011 1 249 108 21 TRP C C 176.082 0.000 1 250 108 21 TRP CA C 55.301 0.129 1 251 108 21 TRP CB C 28.264 0.092 1 252 108 21 TRP CD1 C 123.432 0.042 1 253 108 21 TRP CE3 C 123.486 0.029 1 254 108 21 TRP CZ2 C 113.694 0.178 1 255 108 21 TRP CZ3 C 118.359 0.141 1 256 108 21 TRP CH2 C 120.250 0.442 1 257 108 21 TRP N N 119.266 0.000 1 258 108 21 TRP NE1 N 128.273 0.000 1 259 109 22 GLY H H 7.799 0.005 1 260 109 22 GLY HA2 H 4.249 0.015 1 261 109 22 GLY HA3 H 3.713 0.006 1 262 109 22 GLY CA C 45.580 0.183 1 263 109 22 GLY N N 107.117 0.000 1 264 110 23 VAL H H 8.420 0.009 1 265 110 23 VAL HA H 4.018 0.005 1 266 110 23 VAL HB H 1.868 0.009 1 267 110 23 VAL HG1 H 0.760 0.008 1 268 110 23 VAL HG2 H 0.746 0.018 1 269 110 23 VAL C C 173.254 0.000 1 270 110 23 VAL CA C 61.765 0.212 1 271 110 23 VAL CB C 33.143 0.218 1 272 110 23 VAL CG1 C 20.851 0.000 1 273 110 23 VAL CG2 C 19.911 0.878 1 274 110 23 VAL N N 123.070 0.000 1 275 111 24 ALA H H 8.434 0.012 1 276 111 24 ALA HA H 4.215 0.012 1 277 111 24 ALA HB H 1.230 0.009 1 278 111 24 ALA C C 176.019 0.000 1 279 111 24 ALA CA C 51.463 0.522 1 280 111 24 ALA CB C 18.237 0.194 1 281 111 24 ALA N N 131.038 0.000 1 282 112 25 LEU H H 8.077 0.020 1 283 112 25 LEU HA H 4.476 0.014 1 284 112 25 LEU HB2 H 1.716 0.010 1 285 112 25 LEU HB3 H 1.247 0.006 1 286 112 25 LEU HG H 1.478 0.021 1 287 112 25 LEU HD1 H 0.776 0.013 1 288 112 25 LEU HD2 H 0.819 0.009 1 289 112 25 LEU C C 176.558 0.000 1 290 112 25 LEU CA C 53.585 0.094 1 291 112 25 LEU CB C 44.386 0.279 1 292 112 25 LEU CG C 27.118 0.000 1 293 112 25 LEU CD1 C 27.318 0.207 1 294 112 25 LEU CD2 C 23.144 0.157 1 295 112 25 LEU N N 124.590 0.000 1 296 113 26 ARG H H 9.049 0.004 1 297 113 26 ARG HA H 4.243 0.017 1 298 113 26 ARG HB2 H 1.715 0.000 2 299 113 26 ARG HB3 H 1.715 0.000 2 300 113 26 ARG HG2 H 1.593 0.008 2 301 113 26 ARG HG3 H 1.593 0.008 2 302 113 26 ARG HD2 H 3.152 0.018 2 303 113 26 ARG HD3 H 3.152 0.018 2 304 113 26 ARG C C 175.472 0.000 1 305 113 26 ARG CA C 57.218 0.194 1 306 113 26 ARG CB C 31.476 0.000 1 307 113 26 ARG CG C 27.486 0.374 1 308 113 26 ARG CD C 43.355 0.053 1 309 113 26 ARG N N 120.700 0.000 1 310 114 27 GLU H H 7.325 0.008 1 311 114 27 GLU HA H 4.761 0.020 1 312 114 27 GLU HB2 H 2.204 0.020 2 313 114 27 GLU HB3 H 2.204 0.020 2 314 114 27 GLU HG2 H 1.817 0.000 2 315 114 27 GLU HG3 H 1.817 0.000 2 316 114 27 GLU CA C 54.200 0.121 1 317 114 27 GLU CB C 31.201 0.498 1 318 114 27 GLU N N 114.931 0.000 1 319 115 28 PRO HA H 4.355 0.016 1 320 115 28 PRO HB2 H 2.274 0.000 1 321 115 28 PRO HB3 H 1.903 0.002 1 322 115 28 PRO HG2 H 2.022 0.020 2 323 115 28 PRO HG3 H 2.022 0.020 2 324 115 28 PRO HD2 H 3.805 0.015 1 325 115 28 PRO HD3 H 3.630 0.015 1 326 115 28 PRO C C 176.272 0.000 1 327 115 28 PRO CA C 62.547 0.594 1 328 115 28 PRO CB C 32.970 0.189 1 329 115 28 PRO CG C 28.526 0.232 1 330 115 28 PRO CD C 50.544 0.227 1 331 116 29 VAL H H 8.305 0.009 1 332 116 29 VAL HA H 3.773 0.011 1 333 116 29 VAL HB H 1.874 0.010 1 334 116 29 VAL HG1 H 1.080 0.019 1 335 116 29 VAL HG2 H 0.925 0.012 1 336 116 29 VAL C C 176.081 0.000 1 337 116 29 VAL CA C 63.360 0.033 1 338 116 29 VAL CB C 32.357 0.227 1 339 116 29 VAL CG1 C 23.807 0.744 1 340 116 29 VAL CG2 C 21.423 0.638 1 341 116 29 VAL N N 121.433 0.000 1 342 117 30 THR H H 9.028 0.011 1 343 117 30 THR HA H 4.661 0.008 1 344 117 30 THR HB H 4.792 0.021 1 345 117 30 THR HG2 H 1.299 0.017 1 346 117 30 THR C C 175.933 0.000 1 347 117 30 THR CA C 60.630 0.057 1 348 117 30 THR CB C 71.688 0.175 1 349 117 30 THR CG2 C 22.104 0.065 1 350 117 30 THR N N 120.478 0.000 1 351 118 31 THR H H 8.872 0.008 1 352 118 31 THR HA H 3.933 0.006 1 353 118 31 THR HB H 4.123 0.009 1 354 118 31 THR HG2 H 1.303 0.005 1 355 118 31 THR C C 177.178 0.000 1 356 118 31 THR CA C 66.323 0.433 1 357 118 31 THR CB C 68.582 0.218 1 358 118 31 THR CG2 C 21.966 0.091 1 359 118 31 THR N N 116.676 0.000 1 360 119 32 GLU H H 8.761 0.005 1 361 119 32 GLU HA H 4.122 0.005 1 362 119 32 GLU HB2 H 2.082 0.012 1 363 119 32 GLU HB3 H 1.941 0.015 1 364 119 32 GLU HG2 H 2.382 0.028 1 365 119 32 GLU HG3 H 2.279 0.006 1 366 119 32 GLU C C 179.688 0.000 1 367 119 32 GLU CA C 60.337 0.342 1 368 119 32 GLU CB C 29.336 0.235 1 369 119 32 GLU CG C 36.845 0.219 1 370 119 32 GLU N N 121.283 0.000 1 371 120 33 GLU H H 8.040 0.007 1 372 120 33 GLU HA H 3.892 0.021 1 373 120 33 GLU HB2 H 2.161 0.020 2 374 120 33 GLU HB3 H 2.161 0.020 2 375 120 33 GLU C C 180.306 0.000 1 376 120 33 GLU CA C 58.800 0.401 1 377 120 33 GLU CB C 31.604 0.260 1 378 120 33 GLU CG C 37.726 0.000 1 379 120 33 GLU N N 120.835 0.000 1 380 121 34 LEU H H 8.286 0.007 1 381 121 34 LEU HA H 4.123 0.014 1 382 121 34 LEU HB2 H 2.005 0.009 1 383 121 34 LEU HB3 H 1.416 0.009 1 384 121 34 LEU HG H 1.804 0.087 1 385 121 34 LEU HD1 H 0.954 0.014 1 386 121 34 LEU HD2 H 1.053 0.020 1 387 121 34 LEU C C 177.830 0.000 1 388 121 34 LEU CA C 58.014 0.182 1 389 121 34 LEU CB C 42.002 0.156 1 390 121 34 LEU CG C 27.713 0.639 1 391 121 34 LEU CD1 C 25.894 0.048 1 392 121 34 LEU CD2 C 24.006 0.548 1 393 121 34 LEU N N 120.172 0.000 1 394 122 35 ALA H H 8.471 0.015 1 395 122 35 ALA HA H 4.136 0.019 1 396 122 35 ALA HB H 1.540 0.008 1 397 122 35 ALA C C 181.502 0.000 1 398 122 35 ALA CA C 55.682 0.126 1 399 122 35 ALA CB C 18.129 0.173 1 400 122 35 ALA N N 119.795 0.000 1 401 123 36 SER H H 8.099 0.013 1 402 123 36 SER HA H 4.309 0.008 1 403 123 36 SER HB2 H 4.022 0.014 2 404 123 36 SER HB3 H 4.022 0.014 2 405 123 36 SER C C 176.711 0.000 1 406 123 36 SER CA C 61.784 0.186 1 407 123 36 SER CB C 63.106 0.284 1 408 123 36 SER N N 113.494 0.000 1 409 124 37 PHE H H 7.845 0.004 1 410 124 37 PHE HA H 4.473 0.013 1 411 124 37 PHE HB2 H 3.512 0.007 1 412 124 37 PHE HB3 H 3.337 0.013 1 413 124 37 PHE HD1 H 7.348 0.012 3 414 124 37 PHE HD2 H 7.348 0.012 3 415 124 37 PHE HE1 H 7.255 0.002 3 416 124 37 PHE HE2 H 7.255 0.002 3 417 124 37 PHE C C 176.740 0.000 1 418 124 37 PHE CA C 61.969 0.118 1 419 124 37 PHE CB C 40.272 0.420 1 420 124 37 PHE CD1 C 129.576 0.182 3 421 124 37 PHE CD2 C 129.576 0.182 3 422 124 37 PHE CE1 C 130.284 0.000 3 423 124 37 PHE CE2 C 130.284 0.000 3 424 124 37 PHE N N 125.315 0.000 1 425 125 38 ILE H H 8.907 0.007 1 426 125 38 ILE HA H 3.348 0.010 1 427 125 38 ILE HB H 1.880 0.010 1 428 125 38 ILE HG12 H 2.221 0.013 1 429 125 38 ILE HG13 H 1.631 0.044 1 430 125 38 ILE HG2 H 0.715 0.012 1 431 125 38 ILE HD1 H 1.177 0.012 1 432 125 38 ILE C C 177.674 0.000 1 433 125 38 ILE CA C 66.006 0.181 1 434 125 38 ILE CB C 39.404 0.182 1 435 125 38 ILE CG1 C 30.699 0.111 1 436 125 38 ILE CG2 C 17.528 0.759 1 437 125 38 ILE CD1 C 15.214 0.591 1 438 125 38 ILE N N 119.897 0.000 1 439 126 39 ALA H H 8.149 0.005 1 440 126 39 ALA HA H 4.063 0.012 1 441 126 39 ALA HB H 1.489 0.006 1 442 126 39 ALA C C 181.148 0.000 1 443 126 39 ALA CA C 55.304 0.298 1 444 126 39 ALA CB C 18.332 0.065 1 445 126 39 ALA N N 119.793 0.000 1 446 127 40 TYR H H 7.750 0.011 1 447 127 40 TYR HA H 3.905 0.016 1 448 127 40 TYR HB2 H 3.013 0.008 1 449 127 40 TYR HB3 H 2.761 0.010 1 450 127 40 TYR HD1 H 5.824 0.013 3 451 127 40 TYR HD2 H 5.824 0.013 3 452 127 40 TYR HE1 H 5.757 0.014 3 453 127 40 TYR HE2 H 5.757 0.014 3 454 127 40 TYR C C 177.872 0.000 1 455 127 40 TYR CA C 61.499 0.372 1 456 127 40 TYR CB C 38.340 0.082 1 457 127 40 TYR CD1 C 131.527 0.281 3 458 127 40 TYR CD2 C 131.527 0.281 3 459 127 40 TYR CE1 C 116.893 0.190 3 460 127 40 TYR CE2 C 116.893 0.190 3 461 127 40 TYR N N 118.247 0.000 1 462 128 41 TRP H H 7.996 0.008 1 463 128 41 TRP HA H 4.150 0.016 1 464 128 41 TRP HB2 H 3.321 0.014 1 465 128 41 TRP HB3 H 2.410 0.014 1 466 128 41 TRP HD1 H 6.084 0.012 1 467 128 41 TRP HE1 H 12.187 0.010 1 468 128 41 TRP HE3 H 7.502 0.065 1 469 128 41 TRP HZ2 H 7.872 0.001 1 470 128 41 TRP HZ3 H 7.687 0.009 1 471 128 41 TRP HH2 H 7.164 0.048 1 472 128 41 TRP C C 180.602 0.000 1 473 128 41 TRP CA C 60.369 0.324 1 474 128 41 TRP CB C 29.659 0.129 1 475 128 41 TRP CD1 C 127.649 0.306 1 476 128 41 TRP CE3 C 118.894 0.000 1 477 128 41 TRP CZ2 C 115.693 0.126 1 478 128 41 TRP CZ3 C 118.291 0.181 1 479 128 41 TRP CH2 C 118.813 0.000 1 480 128 41 TRP N N 118.605 0.000 1 481 128 41 TRP NE1 N 131.751 0.000 1 482 129 42 GLN H H 9.361 0.007 1 483 129 42 GLN HA H 4.038 0.014 1 484 129 42 GLN HB2 H 1.944 0.006 2 485 129 42 GLN HB3 H 1.944 0.006 2 486 129 42 GLN HG2 H 2.380 0.012 1 487 129 42 GLN HG3 H 2.116 0.012 1 488 129 42 GLN HE21 H 7.242 0.007 1 489 129 42 GLN HE22 H 6.637 0.005 1 490 129 42 GLN C C 178.212 0.000 1 491 129 42 GLN CA C 59.666 0.053 1 492 129 42 GLN CB C 29.690 0.101 1 493 129 42 GLN CG C 34.216 0.319 1 494 129 42 GLN N N 124.166 0.000 1 495 129 42 GLN NE2 N 108.636 0.000 1 496 130 43 ALA H H 6.994 0.009 1 497 130 43 ALA HA H 4.066 0.006 1 498 130 43 ALA HB H 1.361 0.007 1 499 130 43 ALA C C 179.529 0.000 1 500 130 43 ALA CA C 54.586 0.127 1 501 130 43 ALA CB C 18.238 0.148 1 502 130 43 ALA N N 120.667 0.000 1 503 131 44 GLU H H 7.430 0.006 1 504 131 44 GLU HA H 3.897 0.004 1 505 131 44 GLU HB2 H 2.138 0.008 1 506 131 44 GLU HB3 H 1.919 0.006 1 507 131 44 GLU HG2 H 1.520 0.015 2 508 131 44 GLU HG3 H 1.520 0.015 2 509 131 44 GLU C C 179.384 0.000 1 510 131 44 GLU CA C 57.957 0.248 1 511 131 44 GLU CB C 31.660 0.303 1 512 131 44 GLU CG C 35.738 0.082 1 513 131 44 GLU N N 115.912 0.000 1 514 132 45 GLY H H 7.584 0.006 1 515 132 45 GLY HA2 H 3.949 0.045 2 516 132 45 GLY HA3 H 3.949 0.045 2 517 132 45 GLY C C 174.065 0.000 1 518 132 45 GLY CA C 46.277 0.185 1 519 132 45 GLY N N 103.101 0.000 1 520 133 46 LYS H H 6.495 0.009 1 521 133 46 LYS HA H 4.284 0.054 1 522 133 46 LYS HB2 H 1.746 0.006 2 523 133 46 LYS HB3 H 1.746 0.006 2 524 133 46 LYS HG2 H 1.469 0.008 2 525 133 46 LYS HG3 H 1.469 0.008 2 526 133 46 LYS HD2 H 1.757 0.009 2 527 133 46 LYS HD3 H 1.757 0.009 2 528 133 46 LYS HE2 H 3.061 0.011 2 529 133 46 LYS HE3 H 3.061 0.011 2 530 133 46 LYS C C 174.604 0.000 1 531 133 46 LYS CA C 55.731 0.280 1 532 133 46 LYS CB C 34.637 0.107 1 533 133 46 LYS CG C 25.736 0.115 1 534 133 46 LYS CD C 28.470 0.128 1 535 133 46 LYS CE C 42.319 0.117 1 536 133 46 LYS N N 116.032 0.000 1 537 134 47 VAL H H 7.445 0.008 1 538 134 47 VAL HA H 4.228 0.019 1 539 134 47 VAL HB H 1.465 0.025 1 540 134 47 VAL HG1 H 0.724 0.013 1 541 134 47 VAL HG2 H 0.642 0.021 1 542 134 47 VAL C C 173.263 0.000 1 543 134 47 VAL CA C 60.584 0.168 1 544 134 47 VAL CB C 33.710 0.644 1 545 134 47 VAL CG1 C 19.745 0.146 1 546 134 47 VAL CG2 C 21.352 0.699 1 547 134 47 VAL N N 116.000 0.000 1 548 135 48 PHE H H 7.213 0.008 1 549 135 48 PHE HA H 4.490 0.006 1 550 135 48 PHE HB2 H 2.449 0.016 1 551 135 48 PHE HB3 H -0.103 0.007 1 552 135 48 PHE HD1 H 5.505 0.010 3 553 135 48 PHE HD2 H 5.505 0.010 3 554 135 48 PHE HE1 H 6.524 0.016 3 555 135 48 PHE HE2 H 6.524 0.016 3 556 135 48 PHE HZ H 6.888 0.011 1 557 135 48 PHE C C 175.135 0.000 1 558 135 48 PHE CA C 56.204 0.142 1 559 135 48 PHE CB C 42.189 0.126 1 560 135 48 PHE CD1 C 130.590 0.377 3 561 135 48 PHE CD2 C 130.590 0.377 3 562 135 48 PHE CE1 C 128.975 0.408 3 563 135 48 PHE CE2 C 128.975 0.408 3 564 135 48 PHE CZ C 126.967 0.185 1 565 135 48 PHE N N 118.044 0.000 1 566 136 49 HIS H H 8.544 0.010 1 567 136 49 HIS HA H 4.676 0.024 1 568 136 49 HIS HB2 H 3.492 0.022 1 569 136 49 HIS HB3 H 3.043 0.011 1 570 136 49 HIS HD2 H 7.174 0.012 1 571 136 49 HIS C C 176.575 0.000 1 572 136 49 HIS CA C 56.740 0.097 1 573 136 49 HIS CB C 32.009 0.109 1 574 136 49 HIS CD2 C 119.355 0.215 1 575 136 49 HIS N N 117.412 0.000 1 576 137 50 HIS H H 9.751 0.011 1 577 137 50 HIS HA H 5.000 0.000 1 578 137 50 HIS HB2 H 3.887 0.005 1 579 137 50 HIS HB3 H 3.624 0.009 1 580 137 50 HIS HD2 H 7.401 0.014 1 581 137 50 HIS C C 178.433 0.000 1 582 137 50 HIS CA C 61.865 0.195 1 583 137 50 HIS CB C 33.093 0.273 1 584 137 50 HIS CD2 C 118.225 0.170 1 585 137 50 HIS N N 124.576 0.000 1 586 138 51 VAL H H 9.590 0.007 1 587 138 51 VAL HA H 3.795 0.009 1 588 138 51 VAL HB H 2.236 0.010 1 589 138 51 VAL HG1 H 1.231 0.017 1 590 138 51 VAL HG2 H 0.912 0.022 1 591 138 51 VAL C C 177.062 0.000 1 592 138 51 VAL CA C 67.627 0.359 1 593 138 51 VAL CB C 31.841 0.259 1 594 138 51 VAL CG1 C 23.179 0.120 1 595 138 51 VAL CG2 C 20.615 0.220 1 596 138 51 VAL N N 117.911 0.000 1 597 139 52 GLN H H 6.743 0.006 1 598 139 52 GLN HA H 3.856 0.020 1 599 139 52 GLN HB2 H 1.294 0.012 2 600 139 52 GLN HB3 H 1.294 0.012 2 601 139 52 GLN HG2 H 2.129 0.021 2 602 139 52 GLN HG3 H 2.129 0.021 2 603 139 52 GLN HE21 H 7.579 0.000 1 604 139 52 GLN HE22 H 6.845 0.008 1 605 139 52 GLN C C 179.371 0.000 1 606 139 52 GLN CA C 58.280 0.074 1 607 139 52 GLN CB C 28.560 0.249 1 608 139 52 GLN CG C 34.993 0.770 1 609 139 52 GLN N N 119.173 0.000 1 610 139 52 GLN NE2 N 112.882 0.000 1 611 140 53 TRP H H 8.409 0.009 1 612 140 53 TRP HA H 4.169 0.026 1 613 140 53 TRP HB2 H 3.306 0.017 1 614 140 53 TRP HB3 H 2.438 0.018 1 615 140 53 TRP HD1 H 5.813 0.013 1 616 140 53 TRP HE1 H 10.128 0.041 1 617 140 53 TRP HE3 H 7.620 0.072 1 618 140 53 TRP HZ2 H 7.620 0.008 1 619 140 53 TRP HZ3 H 7.178 0.021 1 620 140 53 TRP HH2 H 7.365 0.013 1 621 140 53 TRP C C 178.914 0.000 1 622 140 53 TRP CA C 59.970 0.077 1 623 140 53 TRP CB C 30.659 0.144 1 624 140 53 TRP CD1 C 128.196 0.293 1 625 140 53 TRP CE3 C 118.715 0.260 1 626 140 53 TRP CZ2 C 114.227 0.351 1 627 140 53 TRP CZ3 C 120.526 0.269 1 628 140 53 TRP CH2 C 123.236 0.207 1 629 140 53 TRP N N 120.115 0.000 1 630 140 53 TRP NE1 N 130.056 0.000 1 631 141 54 GLN H H 8.236 0.009 1 632 141 54 GLN HA H 4.160 0.016 1 633 141 54 GLN HB2 H 2.683 0.020 2 634 141 54 GLN HB3 H 2.683 0.020 2 635 141 54 GLN HG2 H 2.758 0.039 2 636 141 54 GLN HG3 H 2.758 0.039 2 637 141 54 GLN HE21 H 6.896 0.005 1 638 141 54 GLN HE22 H 5.423 0.014 1 639 141 54 GLN C C 177.640 0.000 1 640 141 54 GLN CA C 61.611 0.040 1 641 141 54 GLN CB C 31.944 0.161 1 642 141 54 GLN CG C 38.032 0.177 1 643 141 54 GLN N N 115.613 0.000 1 644 141 54 GLN NE2 N 106.571 0.000 1 645 142 55 GLN H H 8.010 0.006 1 646 142 55 GLN HA H 3.532 0.025 1 647 142 55 GLN HB2 H 1.640 0.006 1 648 142 55 GLN HB3 H 1.429 0.005 1 649 142 55 GLN HG2 H 1.185 0.008 1 650 142 55 GLN HG3 H 0.434 0.010 1 651 142 55 GLN HE21 H 6.367 0.001 1 652 142 55 GLN C C 179.085 0.000 1 653 142 55 GLN CA C 59.498 0.077 1 654 142 55 GLN CB C 27.340 0.263 1 655 142 55 GLN CG C 32.621 0.662 1 656 142 55 GLN N N 121.476 0.000 1 657 142 55 GLN NE2 N 107.323 0.000 1 658 143 56 LYS H H 8.159 0.004 1 659 143 56 LYS HA H 3.948 0.011 1 660 143 56 LYS HB2 H 1.475 0.024 2 661 143 56 LYS HB3 H 1.475 0.024 2 662 143 56 LYS HG2 H 1.080 0.008 2 663 143 56 LYS HG3 H 1.080 0.008 2 664 143 56 LYS HD2 H 0.591 0.012 1 665 143 56 LYS HD3 H 0.286 0.002 1 666 143 56 LYS HE2 H 1.373 0.008 1 667 143 56 LYS HE3 H 1.304 0.041 1 668 143 56 LYS C C 179.991 0.000 1 669 143 56 LYS CA C 59.723 0.027 1 670 143 56 LYS CB C 32.347 0.343 1 671 143 56 LYS CG C 24.622 0.050 1 672 143 56 LYS CD C 28.549 0.466 1 673 143 56 LYS CE C 40.583 0.019 1 674 143 56 LYS N N 119.988 0.000 1 675 144 57 LEU H H 8.496 0.010 1 676 144 57 LEU HA H 3.656 0.007 1 677 144 57 LEU HB2 H 2.023 0.013 1 678 144 57 LEU HB3 H 0.619 0.012 1 679 144 57 LEU HG H 1.251 0.006 1 680 144 57 LEU HD1 H 0.198 0.012 1 681 144 57 LEU HD2 H 0.252 0.012 1 682 144 57 LEU C C 177.986 0.000 1 683 144 57 LEU CA C 58.263 0.063 1 684 144 57 LEU CB C 40.525 0.244 1 685 144 57 LEU CG C 26.455 0.196 1 686 144 57 LEU CD1 C 21.564 0.505 1 687 144 57 LEU CD2 C 26.304 0.728 1 688 144 57 LEU N N 123.944 0.000 1 689 145 58 ALA H H 8.809 0.010 1 690 145 58 ALA HA H 4.132 0.008 1 691 145 58 ALA HB H 1.719 0.011 1 692 145 58 ALA C C 178.537 0.000 1 693 145 58 ALA CA C 56.485 0.055 1 694 145 58 ALA CB C 17.429 0.738 1 695 145 58 ALA N N 120.991 0.000 1 696 146 59 ARG H H 7.949 0.008 1 697 146 59 ARG HA H 4.084 0.010 1 698 146 59 ARG HB2 H 1.975 0.006 2 699 146 59 ARG HB3 H 1.975 0.006 2 700 146 59 ARG HG2 H 1.718 0.017 2 701 146 59 ARG HG3 H 1.718 0.017 2 702 146 59 ARG HD2 H 3.214 0.011 2 703 146 59 ARG HD3 H 3.214 0.011 2 704 146 59 ARG C C 178.301 0.000 1 705 146 59 ARG CA C 59.120 0.128 1 706 146 59 ARG CB C 30.258 0.290 1 707 146 59 ARG CG C 27.673 0.627 1 708 146 59 ARG CD C 43.090 0.227 1 709 146 59 ARG N N 115.759 0.000 1 710 147 60 SER H H 8.303 0.004 1 711 147 60 SER HA H 4.317 0.007 1 712 147 60 SER HB2 H 4.358 0.000 2 713 147 60 SER HB3 H 4.358 0.000 2 714 147 60 SER C C 178.285 0.000 1 715 147 60 SER CA C 62.019 0.107 1 716 147 60 SER CB C 63.518 0.343 1 717 147 60 SER N N 114.739 0.000 1 718 148 61 LEU H H 8.582 0.007 1 719 148 61 LEU HA H 4.259 0.023 1 720 148 61 LEU HB2 H 2.043 0.014 1 721 148 61 LEU HB3 H 1.228 0.020 1 722 148 61 LEU HG H 1.727 0.004 1 723 148 61 LEU HD1 H 0.926 0.011 1 724 148 61 LEU HD2 H 0.888 0.007 1 725 148 61 LEU C C 178.319 0.000 1 726 148 61 LEU CA C 57.256 0.102 1 727 148 61 LEU CB C 42.441 0.195 1 728 148 61 LEU CG C 28.704 0.811 1 729 148 61 LEU CD1 C 27.715 0.568 1 730 148 61 LEU CD2 C 23.279 0.047 1 731 148 61 LEU N N 122.649 0.000 1 732 149 62 GLN H H 8.052 0.013 1 733 149 62 GLN HA H 3.905 0.007 1 734 149 62 GLN HB2 H 2.135 0.007 2 735 149 62 GLN HB3 H 2.135 0.007 2 736 149 62 GLN HG2 H 2.418 0.025 2 737 149 62 GLN HG3 H 2.418 0.025 2 738 149 62 GLN C C 178.979 0.000 1 739 149 62 GLN CA C 59.206 0.190 1 740 149 62 GLN CB C 29.016 0.218 1 741 149 62 GLN CG C 33.599 0.000 1 742 149 62 GLN N N 119.697 0.000 1 743 150 63 ILE H H 7.777 0.006 1 744 150 63 ILE HA H 3.877 0.022 1 745 150 63 ILE HB H 1.887 0.013 1 746 150 63 ILE HG12 H 1.739 0.012 1 747 150 63 ILE HG13 H 1.253 0.007 1 748 150 63 ILE HG2 H 0.939 0.009 1 749 150 63 ILE HD1 H 0.881 0.009 1 750 150 63 ILE C C 179.359 0.000 1 751 150 63 ILE CA C 63.827 0.425 1 752 150 63 ILE CB C 38.782 0.558 1 753 150 63 ILE CG1 C 29.497 0.014 1 754 150 63 ILE CG2 C 17.278 0.125 1 755 150 63 ILE CD1 C 13.217 0.088 1 756 150 63 ILE N N 117.002 0.000 1 757 151 64 GLY H H 8.682 0.005 1 758 151 64 GLY HA2 H 4.073 0.002 2 759 151 64 GLY HA3 H 4.073 0.002 2 760 151 64 GLY C C 176.570 0.000 1 761 151 64 GLY CA C 47.063 0.204 1 762 151 64 GLY N N 109.408 0.000 1 763 152 65 ARG H H 8.414 0.006 1 764 152 65 ARG HA H 4.397 0.022 1 765 152 65 ARG HB2 H 1.789 0.008 2 766 152 65 ARG HB3 H 1.789 0.008 2 767 152 65 ARG HG2 H 1.517 0.031 2 768 152 65 ARG HG3 H 1.517 0.031 2 769 152 65 ARG HD2 H 3.106 0.013 2 770 152 65 ARG HD3 H 3.106 0.013 2 771 152 65 ARG C C 178.269 0.000 1 772 152 65 ARG CA C 57.302 0.200 1 773 152 65 ARG CB C 30.746 0.129 1 774 152 65 ARG CG C 27.003 0.000 1 775 152 65 ARG CD C 43.294 0.017 1 776 152 65 ARG N N 117.882 0.000 1 777 153 66 ALA H H 7.460 0.009 1 778 153 66 ALA HA H 4.231 0.009 1 779 153 66 ALA HB H 1.569 0.003 1 780 153 66 ALA C C 179.138 0.000 1 781 153 66 ALA CA C 54.417 0.152 1 782 153 66 ALA CB C 19.107 0.379 1 783 153 66 ALA N N 123.032 0.000 1 784 154 67 SER H H 8.160 0.005 1 785 154 67 SER HA H 4.334 0.027 1 786 154 67 SER HB2 H 3.798 0.086 2 787 154 67 SER HB3 H 3.798 0.086 2 788 154 67 SER C C 174.375 0.000 1 789 154 67 SER CA C 58.588 0.602 1 790 154 67 SER CB C 63.917 0.729 1 791 154 67 SER N N 113.056 0.000 1 792 155 68 ASN H H 8.146 0.002 1 793 155 68 ASN HA H 4.606 0.000 1 794 155 68 ASN HB2 H 2.699 0.010 2 795 155 68 ASN HB3 H 2.699 0.010 2 796 155 68 ASN C C 176.531 0.000 1 797 155 68 ASN CA C 52.689 0.028 1 798 155 68 ASN CB C 41.210 1.342 1 799 155 68 ASN N N 120.667 0.000 1 800 156 69 GLY H H 8.302 0.003 1 801 156 69 GLY HA2 H 3.948 0.003 2 802 156 69 GLY HA3 H 3.948 0.003 2 803 156 69 GLY C C 174.782 0.000 1 804 156 69 GLY CA C 46.268 0.165 1 805 156 69 GLY N N 108.774 0.000 1 806 157 70 GLY H H 8.179 0.007 1 807 157 70 GLY HA2 H 4.085 0.011 1 808 157 70 GLY HA3 H 3.826 0.017 1 809 157 70 GLY C C 173.675 0.000 1 810 157 70 GLY CA C 45.212 0.375 1 811 157 70 GLY N N 106.826 0.000 1 812 158 71 LEU H H 7.733 0.007 1 813 158 71 LEU HA H 4.733 0.012 1 814 158 71 LEU HB2 H 1.704 0.018 1 815 158 71 LEU HB3 H 1.521 0.016 1 816 158 71 LEU HD1 H 0.924 0.005 2 817 158 71 LEU HD2 H 0.924 0.005 2 818 158 71 LEU CA C 52.650 0.210 1 819 158 71 LEU CB C 41.649 0.399 1 820 158 71 LEU N N 122.404 0.000 1 821 159 72 PRO HA H 4.375 0.014 1 822 159 72 PRO HB2 H 2.488 0.014 1 823 159 72 PRO HB3 H 1.919 0.013 1 824 159 72 PRO HG2 H 2.000 0.008 2 825 159 72 PRO HG3 H 2.000 0.008 2 826 159 72 PRO HD2 H 3.763 0.038 1 827 159 72 PRO HD3 H 3.680 0.014 1 828 159 72 PRO C C 176.353 0.000 1 829 159 72 PRO CA C 62.959 0.168 1 830 159 72 PRO CB C 32.966 0.535 1 831 159 72 PRO CG C 28.240 0.000 1 832 159 72 PRO CD C 50.651 0.125 1 833 160 73 LYS H H 8.434 0.002 1 834 160 73 LYS HA H 4.224 0.024 1 835 160 73 LYS HB2 H 1.785 0.045 2 836 160 73 LYS HB3 H 1.785 0.045 2 837 160 73 LYS HG2 H 1.446 0.019 2 838 160 73 LYS HG3 H 1.446 0.019 2 839 160 73 LYS HD2 H 1.666 0.024 2 840 160 73 LYS HD3 H 1.666 0.024 2 841 160 73 LYS HE2 H 2.979 0.009 2 842 160 73 LYS HE3 H 2.979 0.009 2 843 160 73 LYS C C 176.398 0.000 1 844 160 73 LYS CA C 56.140 0.300 1 845 160 73 LYS CB C 33.211 0.135 1 846 160 73 LYS CG C 24.846 0.000 1 847 160 73 LYS CD C 29.163 0.388 1 848 160 73 LYS CE C 42.177 0.107 1 849 160 73 LYS N N 122.187 0.000 1 850 161 74 ARG H H 8.400 0.002 1 851 161 74 ARG HA H 4.352 0.011 1 852 161 74 ARG HB2 H 1.820 0.024 2 853 161 74 ARG HB3 H 1.820 0.024 2 854 161 74 ARG HG2 H 1.565 0.017 2 855 161 74 ARG HG3 H 1.565 0.017 2 856 161 74 ARG HD2 H 3.233 0.000 2 857 161 74 ARG HD3 H 3.233 0.000 2 858 161 74 ARG C C 175.721 0.000 1 859 161 74 ARG CA C 55.804 0.100 1 860 161 74 ARG CB C 31.667 0.316 1 861 161 74 ARG CG C 27.335 0.174 1 862 161 74 ARG CD C 43.116 0.000 1 863 161 74 ARG N N 123.277 0.000 1 864 162 75 ASP H H 8.489 0.003 1 865 162 75 ASP HA H 4.607 0.027 1 866 162 75 ASP HB2 H 2.581 0.129 1 867 162 75 ASP HB3 H 2.579 0.011 1 868 162 75 ASP C C 176.346 0.000 1 869 162 75 ASP CA C 54.241 0.058 1 870 162 75 ASP CB C 41.256 0.541 1 871 162 75 ASP N N 122.250 0.000 1 872 163 76 VAL H H 8.155 0.003 1 873 163 76 VAL HA H 4.101 0.050 1 874 163 76 VAL HB H 2.097 0.018 1 875 163 76 VAL HG1 H 0.916 0.005 2 876 163 76 VAL HG2 H 0.916 0.005 2 877 163 76 VAL C C 175.881 0.000 1 878 163 76 VAL CA C 62.391 0.183 1 879 163 76 VAL CB C 33.042 0.363 1 880 163 76 VAL N N 119.819 0.000 1 881 164 77 ASN H H 8.551 0.007 1 882 164 77 ASN HA H 4.805 0.000 1 883 164 77 ASN HB2 H 2.750 0.018 2 884 164 77 ASN HB3 H 2.750 0.018 2 885 164 77 ASN C C 175.358 0.000 1 886 164 77 ASN CA C 53.485 0.172 1 887 164 77 ASN CB C 39.085 0.260 1 888 164 77 ASN N N 121.502 0.000 1 889 165 78 THR H H 8.074 0.003 1 890 165 78 THR HA H 4.313 0.007 1 891 165 78 THR HB H 4.176 0.011 1 892 165 78 THR HG2 H 1.162 0.012 1 893 165 78 THR C C 174.391 0.000 1 894 165 78 THR CA C 62.140 0.115 1 895 165 78 THR CB C 69.778 0.140 1 896 165 78 THR CG2 C 21.694 0.353 1 897 165 78 THR N N 115.146 0.000 1 898 166 79 VAL H H 8.187 0.002 1 899 166 79 VAL HA H 4.128 0.020 1 900 166 79 VAL HB H 2.066 0.009 1 901 166 79 VAL HG1 H 0.904 0.005 2 902 166 79 VAL HG2 H 0.904 0.005 2 903 166 79 VAL C C 175.992 0.000 1 904 166 79 VAL CA C 60.222 4.115 1 905 166 79 VAL CB C 32.987 0.226 1 906 166 79 VAL N N 122.776 0.000 1 907 167 80 SER H H 8.391 0.008 1 908 167 80 SER HA H 4.443 0.005 1 909 167 80 SER HB2 H 3.891 0.000 2 910 167 80 SER HB3 H 3.891 0.000 2 911 167 80 SER C C 173.987 0.000 1 912 167 80 SER CA C 58.171 0.142 1 913 167 80 SER CB C 63.919 0.149 1 914 167 80 SER N N 120.051 0.000 1 915 168 81 GLU H H 8.427 0.004 1 916 168 81 GLU HA H 4.563 0.000 1 917 168 81 GLU HB2 H 1.880 0.000 2 918 168 81 GLU HB3 H 1.880 0.000 2 919 168 81 GLU HG2 H 2.073 0.037 2 920 168 81 GLU HG3 H 2.073 0.037 2 921 168 81 GLU CA C 54.636 0.198 1 922 168 81 GLU CB C 30.052 0.000 1 923 168 81 GLU CG C 32.886 0.000 1 924 168 81 GLU N N 123.974 0.000 1 925 169 82 PRO HA H 4.354 0.014 1 926 169 82 PRO HB2 H 2.268 0.003 1 927 169 82 PRO HB3 H 1.916 0.040 1 928 169 82 PRO HG2 H 2.018 0.000 2 929 169 82 PRO HG3 H 2.018 0.000 2 930 169 82 PRO HD2 H 3.831 0.000 2 931 169 82 PRO HD3 H 3.831 0.000 2 932 169 82 PRO C C 176.850 0.000 1 933 169 82 PRO CA C 63.488 0.065 1 934 169 82 PRO CB C 32.126 0.072 1 935 169 82 PRO CG C 27.458 0.000 1 936 169 82 PRO CD C 50.687 0.000 1 937 170 83 ASP H H 8.458 0.004 1 938 170 83 ASP HA H 4.555 0.018 1 939 170 83 ASP HB2 H 2.656 0.013 2 940 170 83 ASP HB3 H 2.656 0.013 2 941 170 83 ASP C C 176.487 0.000 1 942 170 83 ASP CA C 54.592 0.143 1 943 170 83 ASP CB C 41.134 0.320 1 944 170 83 ASP N N 120.082 0.000 1 945 171 84 SER H H 8.168 0.005 1 946 171 84 SER HA H 4.366 0.020 1 947 171 84 SER HB2 H 3.862 0.013 2 948 171 84 SER HB3 H 3.862 0.013 2 949 171 84 SER C C 174.615 0.000 1 950 171 84 SER CA C 58.634 0.193 1 951 171 84 SER CB C 63.809 0.153 1 952 171 84 SER N N 115.874 0.000 1 953 172 85 GLN H H 8.372 0.007 1 954 172 85 GLN HA H 4.297 0.000 1 955 172 85 GLN HB2 H 2.097 0.020 1 956 172 85 GLN HB3 H 1.949 0.014 1 957 172 85 GLN HG2 H 2.314 0.013 2 958 172 85 GLN HG3 H 2.314 0.013 2 959 172 85 GLN C C 175.632 0.000 1 960 172 85 GLN CA C 55.674 0.032 1 961 172 85 GLN CB C 29.492 0.122 1 962 172 85 GLN CG C 34.143 0.408 1 963 172 85 GLN N N 121.583 0.000 1 964 173 86 ILE H H 8.083 0.006 1 965 173 86 ILE HA H 4.204 0.000 1 966 173 86 ILE HB H 1.766 0.011 1 967 173 86 ILE HG12 H 1.457 0.019 1 968 173 86 ILE HG13 H 1.090 0.009 1 969 173 86 ILE HG2 H 0.863 0.009 1 970 173 86 ILE HD1 H 0.774 0.017 1 971 173 86 ILE CA C 58.639 0.266 1 972 173 86 ILE CB C 38.554 0.231 1 973 173 86 ILE CG1 C 27.064 0.033 1 974 173 86 ILE CG2 C 17.167 0.096 1 975 173 86 ILE CD1 C 12.618 0.711 1 976 173 86 ILE N N 123.785 0.000 1 977 175 88 PRO HA H 4.319 0.003 1 978 175 88 PRO HB2 H 2.301 0.017 1 979 175 88 PRO HB3 H 1.854 0.018 1 980 175 88 PRO HG2 H 1.990 0.051 2 981 175 88 PRO HG3 H 1.990 0.051 2 982 175 88 PRO HD2 H 3.853 0.000 2 983 175 88 PRO HD3 H 3.853 0.000 2 984 175 88 PRO C C 177.824 0.000 1 985 175 88 PRO CA C 63.511 0.065 1 986 175 88 PRO CB C 31.981 0.080 1 987 175 88 PRO CG C 27.451 0.089 1 988 175 88 PRO CD C 50.560 0.000 1 989 176 89 GLY H H 8.524 0.005 1 990 176 89 GLY HA2 H 3.895 0.038 2 991 176 89 GLY HA3 H 3.895 0.038 2 992 176 89 GLY C C 174.159 0.000 1 993 176 89 GLY CA C 45.257 0.155 1 994 176 89 GLY N N 108.967 0.000 1 995 177 90 PHE H H 8.015 0.010 1 996 177 90 PHE HA H 4.506 0.009 1 997 177 90 PHE HB2 H 3.039 0.005 2 998 177 90 PHE HB3 H 3.039 0.005 2 999 177 90 PHE HD1 H 7.164 0.018 3 1000 177 90 PHE HD2 H 7.164 0.018 3 1001 177 90 PHE C C 175.964 0.000 1 1002 177 90 PHE CA C 58.194 0.087 1 1003 177 90 PHE CB C 39.806 0.307 1 1004 177 90 PHE CD1 C 130.861 0.061 3 1005 177 90 PHE CD2 C 130.861 0.061 3 1006 177 90 PHE N N 120.277 0.000 1 1007 178 91 ARG H H 8.267 0.004 1 1008 178 91 ARG HA H 4.233 0.013 1 1009 178 91 ARG HB2 H 1.801 0.000 2 1010 178 91 ARG HB3 H 1.801 0.000 2 1011 178 91 ARG HG2 H 1.505 0.046 2 1012 178 91 ARG HG3 H 1.505 0.046 2 1013 178 91 ARG HD2 H 3.138 0.000 2 1014 178 91 ARG HD3 H 3.138 0.000 2 1015 178 91 ARG C C 176.265 0.000 1 1016 178 91 ARG CA C 56.112 0.190 1 1017 178 91 ARG CB C 30.962 0.266 1 1018 178 91 ARG CG C 27.077 0.000 1 1019 178 91 ARG CD C 43.249 0.000 1 1020 178 91 ARG N N 123.268 0.000 1 1021 179 92 GLY H H 7.733 0.021 1 1022 179 92 GLY HA2 H 3.795 0.000 2 1023 179 92 GLY HA3 H 3.795 0.000 2 1024 179 92 GLY CA C 45.253 0.238 1 1025 179 92 GLY N N 108.615 0.000 1 stop_ save_