data_6747 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 50S ribosomal protein L40e ; _BMRB_accession_number 6747 _BMRB_flat_file_name bmr6747.str _Entry_type original _Submission_date 2005-07-25 _Accession_date 2005-07-25 _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 Wu Bin . . 2 Yee Adelina . . 3 Lukin Jonathan . . 4 Semesi Anthomy . . 5 Lemak Alexander . . 6 Ramelot Theresa . . 7 Kennedy Michael . . 8 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 321 "13C chemical shifts" 235 "15N chemical shifts" 47 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-02-23 original author . stop_ _Original_release_date 2006-02-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of 50S ribosomal protein L40e from Sulfolobus solfataricus' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Bin . . 2 Yee Adelina . . 3 Lukin Jonathan . . 4 Semesi Anthony . . 5 Lemak Alexander . . 6 Ramelot Theresa . . 7 Kennedy Michael . . 8 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation . _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 . loop_ _Keyword '50S ribosomal protein L40e' stop_ save_ ################################## # Molecular system description # ################################## save_system_sso5336 _Saveframe_category molecular_system _Mol_system_name '50S ribosomal protein L40e' _Abbreviation_common sso5336 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sso5336 $sso5336 'ZINC (II) ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Biological_function '50S ribosomal protein L40e' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_sso5336 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '50S ribosomal protein L40e' _Abbreviation_common sso5336 _Molecular_mass 6444 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 56 _Mol_residue_sequence ; MPLTDPAKLQIVQQRVFLKK VCRKCGALNPIRATKCRRCH STNLRLKKKELPTKKG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 LEU 4 THR 5 ASP 6 PRO 7 ALA 8 LYS 9 LEU 10 GLN 11 ILE 12 VAL 13 GLN 14 GLN 15 ARG 16 VAL 17 PHE 18 LEU 19 LYS 20 LYS 21 VAL 22 CYS 23 ARG 24 LYS 25 CYS 26 GLY 27 ALA 28 LEU 29 ASN 30 PRO 31 ILE 32 ARG 33 ALA 34 THR 35 LYS 36 CYS 37 ARG 38 ARG 39 CYS 40 HIS 41 SER 42 THR 43 ASN 44 LEU 45 ARG 46 LEU 47 LYS 48 LYS 49 LYS 50 GLU 51 LEU 52 PRO 53 THR 54 LYS 55 LYS 56 GLY stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 REF NP_341727 '50S ribosomal protein L40e [Sulfolobus solfataricus P2]' 100.00 56 100.00 100.00 1.21e-23 SWISS-PROT Q980V5 '50S ribosomal protein L40e' 100.00 56 100.00 100.00 1.21e-23 PDB 2AYJ 'Solution Structure Of 50s Ribosomal Protein L40e From Sulfolobus Solfataricus' 100.00 56 100.00 100.00 1.21e-23 GenBank AAK40517 'LSU ribosomal protein L40E (rpl40E) [Sulfolobus solfataricus P2]' 100.00 56 100.00 100.00 1.21e-23 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sso5336 'Sulfolobus solfataricus' 2303 Archaea . sulfolobus solfataricus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $sso5336 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid PET15B 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 $sso5336 1 mM '[U-13C; U-15N]' NaCl 450 mM . Phosphate 25 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.95 loop_ _Task 'spectral analysis' assignemt stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNcaCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNcaCO _Sample_label $sample_1 save_ save_CBCAcoNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label $sample_1 save_ save_HNCB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _Sample_label $sample_1 save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNcoCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label $sample_1 save_ save_HBHAcoNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _Sample_label $sample_1 save_ save_CCTOCSY_NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCTOCSY_NH _Sample_label $sample_1 save_ save_HCCTOCSY_NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY_NH _Sample_label $sample_1 save_ save_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label $sample_1 save_ save_HCCHCOSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label $sample_1 save_ save_15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label $sample_1 save_ save_13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNcaCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCTOCSY_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 298 1 K 'ionic strength' 0.45 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '15N HSQC' HNCO HNcaCO CBCAcoNH HNCB HNCA HNcoCA HBHAcoNH CCTOCSY_NH HCCTOCSY_NH HNHA '13C HSQC' HCCHCOSY '15N NOESY' '13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name sso5336 _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 MET N N 123.126 0.400 1 2 . 1 MET H H 8.233 0.020 1 3 . 1 MET CA C 52.930 0.400 1 4 . 1 MET HA H 4.707 0.020 1 5 . 1 MET CB C 32.430 0.400 1 6 . 1 MET HB2 H 1.994 0.020 2 7 . 1 MET HB3 H 1.872 0.020 2 8 . 1 MET CG C 31.860 0.400 1 9 . 1 MET HG2 H 2.486 0.020 2 10 . 1 MET HG3 H 2.406 0.020 2 11 . 1 MET C C 173.804 0.400 1 12 . 2 PRO CD C 50.530 0.400 1 13 . 2 PRO CA C 62.860 0.400 1 14 . 2 PRO HA H 4.375 0.020 1 15 . 2 PRO CB C 31.970 0.400 1 16 . 2 PRO HB2 H 2.238 0.020 2 17 . 2 PRO HB3 H 1.864 0.020 2 18 . 2 PRO CG C 27.290 0.400 1 19 . 2 PRO HG2 H 1.975 0.020 2 20 . 2 PRO HG3 H 1.930 0.020 2 21 . 2 PRO HD2 H 3.653 0.020 2 22 . 2 PRO HD3 H 3.595 0.020 2 23 . 2 PRO C C 176.739 0.400 1 24 . 3 LEU N N 122.347 0.400 1 25 . 3 LEU H H 8.420 0.020 1 26 . 3 LEU CA C 54.930 0.400 1 27 . 3 LEU HA H 4.348 0.020 1 28 . 3 LEU CB C 42.200 0.400 1 29 . 3 LEU HB2 H 1.641 0.020 2 30 . 3 LEU HB3 H 1.564 0.020 2 31 . 3 LEU CG C 26.780 0.400 1 32 . 3 LEU HD1 H 0.856 0.020 2 33 . 3 LEU HD2 H 0.836 0.020 2 34 . 3 LEU CD1 C 23.990 0.400 1 35 . 3 LEU CD2 C 23.490 0.400 1 36 . 3 LEU C C 177.569 0.400 1 37 . 4 THR N N 114.709 0.400 1 38 . 4 THR H H 8.065 0.020 1 39 . 4 THR CA C 61.110 0.400 1 40 . 4 THR HA H 4.295 0.020 1 41 . 4 THR CB C 70.020 0.400 1 42 . 4 THR HB H 4.149 0.020 1 43 . 4 THR HG2 H 1.150 0.020 1 44 . 4 THR CG2 C 21.580 0.400 1 45 . 4 THR C C 173.774 0.400 1 46 . 5 ASP N N 124.137 0.400 1 47 . 5 ASP H H 8.302 0.020 1 48 . 5 ASP CA C 52.300 0.400 1 49 . 5 ASP HA H 4.839 0.020 1 50 . 5 ASP CB C 41.450 0.400 1 51 . 5 ASP HB2 H 2.731 0.020 2 52 . 5 ASP HB3 H 2.570 0.020 2 53 . 6 PRO CD C 50.910 0.400 1 54 . 6 PRO CA C 63.820 0.400 1 55 . 6 PRO HA H 4.307 0.020 1 56 . 6 PRO CB C 31.970 0.400 1 57 . 6 PRO HB2 H 2.297 0.020 2 58 . 6 PRO HB3 H 1.950 0.020 2 59 . 6 PRO CG C 27.330 0.400 1 60 . 6 PRO HG2 H 2.017 0.020 1 61 . 6 PRO HG3 H 2.017 0.020 1 62 . 6 PRO HD2 H 3.872 0.020 2 63 . 6 PRO HD3 H 3.829 0.020 2 64 . 6 PRO C C 177.539 0.400 1 65 . 7 ALA N N 121.596 0.400 1 66 . 7 ALA H H 8.329 0.020 1 67 . 7 ALA CA C 52.980 0.400 1 68 . 7 ALA HA H 4.221 0.020 1 69 . 7 ALA HB H 1.398 0.020 1 70 . 7 ALA CB C 18.840 0.400 1 71 . 7 ALA C C 178.765 0.400 1 72 . 8 LYS N N 118.404 0.400 1 73 . 8 LYS H H 7.911 0.020 1 74 . 8 LYS CA C 56.470 0.400 1 75 . 8 LYS HA H 4.229 0.020 1 76 . 8 LYS CB C 32.670 0.400 1 77 . 8 LYS HB2 H 1.868 0.020 2 78 . 8 LYS HB3 H 1.798 0.020 2 79 . 8 LYS CG C 25.180 0.400 1 80 . 8 LYS HG2 H 1.452 0.020 2 81 . 8 LYS HG3 H 1.360 0.020 2 82 . 8 LYS CD C 28.770 0.400 1 83 . 8 LYS HD2 H 1.675 0.020 1 84 . 8 LYS HD3 H 1.675 0.020 1 85 . 8 LYS CE C 42.120 0.400 1 86 . 8 LYS HE2 H 2.970 0.020 1 87 . 8 LYS HE3 H 2.970 0.020 1 88 . 8 LYS C C 176.936 0.400 1 89 . 9 LEU N N 121.622 0.400 1 90 . 9 LEU H H 7.916 0.020 1 91 . 9 LEU CA C 55.360 0.400 1 92 . 9 LEU HA H 4.248 0.020 1 93 . 9 LEU CB C 42.260 0.400 1 94 . 9 LEU HB2 H 1.653 0.020 2 95 . 9 LEU HB3 H 1.563 0.020 2 96 . 9 LEU CG C 26.780 0.400 1 97 . 9 LEU HD1 H 0.839 0.020 2 98 . 9 LEU HD2 H 0.810 0.020 2 99 . 9 LEU CD1 C 24.040 0.400 1 100 . 9 LEU CD2 C 23.320 0.400 1 101 . 9 LEU C C 177.440 0.400 1 102 . 10 GLN N N 120.342 0.400 1 103 . 10 GLN H H 8.209 0.020 1 104 . 10 GLN CA C 55.890 0.400 1 105 . 10 GLN HA H 4.284 0.020 1 106 . 10 GLN CB C 29.310 0.400 1 107 . 10 GLN HB2 H 2.075 0.020 2 108 . 10 GLN HB3 H 1.991 0.020 2 109 . 10 GLN CG C 33.970 0.400 1 110 . 10 GLN HG2 H 2.365 0.020 2 111 . 10 GLN HG3 H 2.313 0.020 2 112 . 10 GLN C C 176.126 0.400 1 113 . 11 ILE N N 121.610 0.400 1 114 . 11 ILE H H 8.021 0.020 1 115 . 11 ILE CA C 61.460 0.400 1 116 . 11 ILE HA H 4.100 0.020 1 117 . 11 ILE CB C 38.450 0.400 1 118 . 11 ILE HB H 1.862 0.020 1 119 . 11 ILE HG2 H 0.862 0.020 1 120 . 11 ILE CG2 C 17.460 0.400 1 121 . 11 ILE CG1 C 27.790 0.400 1 122 . 11 ILE HG12 H 1.477 0.020 2 123 . 11 ILE HG13 H 1.175 0.020 2 124 . 11 ILE HD1 H 0.836 0.020 1 125 . 11 ILE CD1 C 12.930 0.400 1 126 . 11 ILE C C 176.660 0.400 1 127 . 12 VAL N N 123.770 0.400 1 128 . 12 VAL H H 8.146 0.020 1 129 . 12 VAL CA C 62.880 0.400 1 130 . 12 VAL HA H 4.021 0.020 1 131 . 12 VAL CB C 32.370 0.400 1 132 . 12 VAL HB H 2.052 0.020 1 133 . 12 VAL HG1 H 0.941 0.020 2 134 . 12 VAL HG2 H 0.917 0.020 2 135 . 12 VAL CG1 C 21.140 0.400 1 136 . 12 VAL CG2 C 20.600 0.400 1 137 . 12 VAL C C 176.488 0.400 1 138 . 15 ARG CA C 56.620 0.400 1 139 . 15 ARG HA H 4.268 0.020 1 140 . 15 ARG CB C 30.300 0.400 1 141 . 15 ARG HB2 H 1.841 0.020 2 142 . 15 ARG HB3 H 1.722 0.020 2 143 . 15 ARG CG C 27.290 0.400 1 144 . 15 ARG HG2 H 1.484 0.020 1 145 . 15 ARG HG3 H 1.484 0.020 1 146 . 15 ARG CD C 43.380 0.400 1 147 . 15 ARG HD2 H 3.142 0.020 1 148 . 15 ARG HD3 H 3.142 0.020 1 149 . 15 ARG C C 175.800 0.400 1 150 . 16 VAL N N 119.727 0.400 1 151 . 16 VAL H H 7.914 0.020 1 152 . 16 VAL CA C 61.790 0.400 1 153 . 16 VAL HA H 4.131 0.020 1 154 . 16 VAL CB C 32.870 0.400 1 155 . 16 VAL HB H 1.918 0.020 1 156 . 16 VAL HG1 H 0.790 0.020 2 157 . 16 VAL HG2 H 0.831 0.020 2 158 . 16 VAL CG1 C 21.510 0.400 1 159 . 16 VAL CG2 C 20.790 0.400 1 160 . 16 VAL C C 175.444 0.400 1 161 . 17 PHE N N 123.003 0.400 1 162 . 17 PHE H H 8.405 0.020 1 163 . 17 PHE CA C 56.940 0.400 1 164 . 17 PHE HA H 4.748 0.020 1 165 . 17 PHE CB C 40.000 0.400 1 166 . 17 PHE HB2 H 3.149 0.020 2 167 . 17 PHE HB3 H 2.938 0.020 2 168 . 17 PHE HD1 H 7.273 0.020 1 169 . 17 PHE HD2 H 7.273 0.020 1 170 . 17 PHE C C 175.197 0.400 1 171 . 18 LEU N N 123.426 0.400 1 172 . 18 LEU H H 8.282 0.020 1 173 . 18 LEU CA C 54.340 0.400 1 174 . 18 LEU HA H 4.642 0.020 1 175 . 18 LEU CB C 43.150 0.400 1 176 . 18 LEU HB2 H 1.696 0.020 2 177 . 18 LEU HB3 H 1.458 0.020 2 178 . 18 LEU CG C 27.090 0.400 1 179 . 18 LEU HG H 1.588 0.020 1 180 . 18 LEU HD1 H 0.816 0.020 2 181 . 18 LEU HD2 H 0.796 0.020 2 182 . 18 LEU CD1 C 23.810 0.400 1 183 . 18 LEU CD2 C 23.170 0.400 1 184 . 18 LEU C C 175.948 0.400 1 185 . 19 LYS N N 118.918 0.400 1 186 . 19 LYS H H 8.045 0.020 1 187 . 19 LYS CA C 54.360 0.400 1 188 . 19 LYS HA H 4.617 0.020 1 189 . 19 LYS CB C 36.570 0.400 1 190 . 19 LYS HB2 H 1.972 0.020 2 191 . 19 LYS HB3 H 1.584 0.020 2 192 . 19 LYS CG C 25.220 0.400 1 193 . 19 LYS HG2 H 1.404 0.020 2 194 . 19 LYS HG3 H 1.338 0.020 2 195 . 19 LYS CD C 29.130 0.400 1 196 . 19 LYS HD2 H 1.736 0.020 2 197 . 19 LYS HD3 H 1.556 0.020 2 198 . 19 LYS CE C 42.580 0.400 1 199 . 19 LYS HE2 H 2.892 0.020 1 200 . 19 LYS HE3 H 2.892 0.020 1 201 . 19 LYS C C 175.128 0.400 1 202 . 20 LYS N N 118.161 0.400 1 203 . 20 LYS H H 8.618 0.020 1 204 . 20 LYS CA C 54.990 0.400 1 205 . 20 LYS HA H 4.996 0.020 1 206 . 20 LYS CB C 36.300 0.400 1 207 . 20 LYS HB2 H 1.430 0.020 2 208 . 20 LYS HB3 H 1.384 0.020 2 209 . 20 LYS CG C 27.550 0.400 1 210 . 20 LYS HG2 H 1.303 0.020 2 211 . 20 LYS HG3 H 1.064 0.020 2 212 . 20 LYS CD C 29.950 0.400 1 213 . 20 LYS HD2 H 1.705 0.020 2 214 . 20 LYS HD3 H 1.438 0.020 2 215 . 20 LYS CE C 42.400 0.400 1 216 . 20 LYS HE2 H 3.042 0.020 2 217 . 20 LYS HE3 H 2.894 0.020 2 218 . 20 LYS C C 175.237 0.400 1 219 . 21 VAL N N 122.324 0.400 1 220 . 21 VAL H H 9.326 0.020 1 221 . 21 VAL CA C 59.930 0.400 1 222 . 21 VAL HA H 4.682 0.020 1 223 . 21 VAL CB C 34.690 0.400 1 224 . 21 VAL HB H 1.713 0.020 1 225 . 21 VAL HG1 H 0.814 0.020 2 226 . 21 VAL HG2 H 0.776 0.020 2 227 . 21 VAL CG1 C 21.430 0.400 1 228 . 21 VAL CG2 C 20.630 0.400 1 229 . 21 VAL C C 174.594 0.400 1 230 . 22 CYS N N 129.107 0.400 1 231 . 22 CYS H H 8.589 0.020 1 232 . 22 CYS CA C 59.620 0.400 1 233 . 22 CYS HA H 4.399 0.020 1 234 . 22 CYS CB C 31.600 0.400 1 235 . 22 CYS HB2 H 3.173 0.020 2 236 . 22 CYS HB3 H 2.631 0.020 2 237 . 22 CYS C C 178.231 0.400 1 238 . 23 ARG N N 130.210 0.400 1 239 . 23 ARG H H 9.135 0.020 1 240 . 23 ARG CA C 58.080 0.400 1 241 . 23 ARG HA H 4.132 0.020 1 242 . 23 ARG CB C 30.240 0.400 1 243 . 23 ARG HB2 H 1.901 0.020 2 244 . 23 ARG HB3 H 1.745 0.020 2 245 . 23 ARG CG C 28.270 0.400 1 246 . 23 ARG HG2 H 1.617 0.020 2 247 . 23 ARG HG3 H 1.545 0.020 2 248 . 23 ARG CD C 43.190 0.400 1 249 . 23 ARG HD2 H 3.120 0.020 1 250 . 23 ARG HD3 H 3.120 0.020 1 251 . 23 ARG C C 176.166 0.400 1 252 . 24 LYS N N 123.170 0.400 1 253 . 24 LYS H H 9.299 0.020 1 254 . 24 LYS CA C 58.530 0.400 1 255 . 24 LYS HA H 4.365 0.020 1 256 . 24 LYS CB C 32.900 0.400 1 257 . 24 LYS HB2 H 2.164 0.020 2 258 . 24 LYS HB3 H 1.844 0.020 2 259 . 24 LYS CG C 25.410 0.400 1 260 . 24 LYS HG2 H 1.409 0.020 1 261 . 24 LYS HG3 H 1.409 0.020 1 262 . 24 LYS CD C 28.720 0.400 1 263 . 24 LYS HD2 H 1.944 0.020 2 264 . 24 LYS HD3 H 1.759 0.020 2 265 . 24 LYS CE C 42.710 0.400 1 266 . 24 LYS HE2 H 3.010 0.020 1 267 . 24 LYS HE3 H 3.010 0.020 1 268 . 24 LYS C C 177.856 0.400 1 269 . 25 CYS N N 120.622 0.400 1 270 . 25 CYS H H 9.516 0.020 1 271 . 25 CYS CA C 58.480 0.400 1 272 . 25 CYS HA H 5.076 0.020 1 273 . 25 CYS CB C 32.770 0.400 1 274 . 25 CYS HB2 H 3.259 0.020 2 275 . 25 CYS HB3 H 2.636 0.020 2 276 . 25 CYS C C 177.253 0.400 1 277 . 26 GLY N N 113.127 0.400 1 278 . 26 GLY H H 7.730 0.020 1 279 . 26 GLY CA C 45.960 0.400 1 280 . 26 GLY HA2 H 4.223 0.020 2 281 . 26 GLY HA3 H 3.784 0.020 2 282 . 26 GLY C C 173.606 0.400 1 283 . 27 ALA N N 125.559 0.400 1 284 . 27 ALA H H 8.899 0.020 1 285 . 27 ALA CA C 53.410 0.400 1 286 . 27 ALA HA H 4.169 0.020 1 287 . 27 ALA HB H 1.348 0.020 1 288 . 27 ALA CB C 19.830 0.400 1 289 . 27 ALA C C 177.599 0.400 1 290 . 28 LEU N N 122.140 0.400 1 291 . 28 LEU H H 8.629 0.020 1 292 . 28 LEU CA C 54.280 0.400 1 293 . 28 LEU HA H 4.839 0.020 1 294 . 28 LEU CB C 42.350 0.400 1 295 . 28 LEU HB2 H 1.820 0.020 2 296 . 28 LEU HB3 H 1.331 0.020 2 297 . 28 LEU CG C 27.380 0.400 1 298 . 28 LEU HG H 1.773 0.020 1 299 . 28 LEU HD1 H 0.941 0.020 2 300 . 28 LEU HD2 H 0.845 0.020 2 301 . 28 LEU CD1 C 25.360 0.400 1 302 . 28 LEU CD2 C 24.050 0.400 1 303 . 28 LEU C C 176.986 0.400 1 304 . 29 ASN N N 122.164 0.400 1 305 . 29 ASN H H 9.349 0.020 1 306 . 29 ASN CA C 51.460 0.400 1 307 . 29 ASN HA H 5.126 0.020 1 308 . 29 ASN CB C 43.560 0.400 1 309 . 29 ASN HB2 H 2.356 0.020 2 310 . 29 ASN HB3 H 2.203 0.020 2 311 . 29 ASN ND2 N 111.865 0.400 1 312 . 29 ASN HD21 H 7.007 0.020 2 313 . 29 ASN HD22 H 6.036 0.020 2 314 . 29 ASN C C 180.733 0.400 1 315 . 30 PRO CD C 50.430 0.400 1 316 . 30 PRO CA C 62.490 0.400 1 317 . 30 PRO HA H 4.762 0.020 1 318 . 30 PRO CB C 32.560 0.400 1 319 . 30 PRO HB2 H 2.530 0.020 2 320 . 30 PRO HB3 H 2.076 0.020 2 321 . 30 PRO CG C 27.660 0.400 1 322 . 30 PRO HG2 H 2.094 0.020 1 323 . 30 PRO HG3 H 2.094 0.020 1 324 . 30 PRO HD2 H 3.816 0.020 2 325 . 30 PRO HD3 H 3.726 0.020 2 326 . 30 PRO C C 177.272 0.400 1 327 . 31 ILE N N 119.671 0.400 1 328 . 31 ILE H H 8.479 0.020 1 329 . 31 ILE CA C 63.480 0.400 1 330 . 31 ILE HA H 3.731 0.020 1 331 . 31 ILE CB C 37.780 0.400 1 332 . 31 ILE HB H 1.906 0.020 1 333 . 31 ILE HG2 H 0.935 0.020 1 334 . 31 ILE CG2 C 17.980 0.400 1 335 . 31 ILE CG1 C 28.510 0.400 1 336 . 31 ILE HG12 H 1.409 0.020 2 337 . 31 ILE HG13 H 1.309 0.020 2 338 . 31 ILE HD1 H 0.832 0.020 1 339 . 31 ILE CD1 C 14.330 0.400 1 340 . 31 ILE C C 176.373 0.400 1 341 . 32 ARG N N 116.163 0.400 1 342 . 32 ARG H H 7.830 0.020 1 343 . 32 ARG CA C 55.860 0.400 1 344 . 32 ARG HA H 4.251 0.020 1 345 . 32 ARG CB C 29.750 0.400 1 346 . 32 ARG HB2 H 1.917 0.020 2 347 . 32 ARG HB3 H 1.789 0.020 2 348 . 32 ARG CG C 27.430 0.400 1 349 . 32 ARG HG2 H 1.579 0.020 1 350 . 32 ARG HG3 H 1.579 0.020 1 351 . 32 ARG CD C 43.240 0.400 1 352 . 32 ARG HD2 H 3.170 0.020 1 353 . 32 ARG HD3 H 3.170 0.020 1 354 . 32 ARG C C 176.630 0.400 1 355 . 33 ALA N N 123.354 0.400 1 356 . 33 ALA H H 7.685 0.020 1 357 . 33 ALA CA C 53.070 0.400 1 358 . 33 ALA HA H 4.235 0.020 1 359 . 33 ALA HB H 1.385 0.020 1 360 . 33 ALA CB C 19.750 0.400 1 361 . 33 ALA C C 177.199 0.400 1 362 . 34 THR CA C 61.400 0.400 1 363 . 34 THR HA H 4.328 0.020 1 364 . 34 THR CB C 69.500 0.400 1 365 . 34 THR HB H 4.328 0.020 1 366 . 34 THR HG2 H 1.182 0.020 1 367 . 34 THR CG2 C 21.910 0.400 1 368 . 34 THR C C 174.436 0.400 1 369 . 35 LYS N N 119.503 0.400 1 370 . 35 LYS H H 7.566 0.020 1 371 . 35 LYS CA C 53.910 0.400 1 372 . 35 LYS HA H 4.649 0.020 1 373 . 35 LYS CB C 35.520 0.400 1 374 . 35 LYS HB2 H 1.538 0.020 2 375 . 35 LYS HB3 H 1.440 0.020 2 376 . 35 LYS CG C 23.830 0.400 1 377 . 35 LYS HG2 H 1.222 0.020 2 378 . 35 LYS HG3 H 1.063 0.020 2 379 . 35 LYS CD C 29.560 0.400 1 380 . 35 LYS HD2 H 1.511 0.020 1 381 . 35 LYS HD3 H 1.511 0.020 1 382 . 35 LYS CE C 41.930 0.400 1 383 . 35 LYS HE2 H 2.814 0.020 1 384 . 35 LYS HE3 H 2.814 0.020 1 385 . 35 LYS C C 174.209 0.400 1 386 . 36 CYS N N 124.185 0.400 1 387 . 36 CYS H H 9.298 0.020 1 388 . 36 CYS CA C 59.030 0.400 1 389 . 36 CYS HA H 3.947 0.020 1 390 . 36 CYS CB C 31.150 0.400 1 391 . 36 CYS HB2 H 3.091 0.020 2 392 . 36 CYS HB3 H 2.969 0.020 2 393 . 36 CYS C C 177.954 0.400 1 394 . 37 ARG N N 129.107 0.400 1 395 . 37 ARG H H 9.250 0.020 1 396 . 37 ARG CA C 57.650 0.400 1 397 . 37 ARG HA H 4.163 0.020 1 398 . 37 ARG CB C 29.570 0.400 1 399 . 37 ARG HB2 H 2.030 0.020 2 400 . 37 ARG HB3 H 1.926 0.020 2 401 . 37 ARG CG C 26.680 0.400 1 402 . 37 ARG HG2 H 1.644 0.020 1 403 . 37 ARG HG3 H 1.644 0.020 1 404 . 37 ARG CD C 43.710 0.400 1 405 . 37 ARG HD2 H 3.298 0.020 2 406 . 37 ARG HD3 H 3.205 0.020 2 407 . 37 ARG C C 175.414 0.400 1 408 . 38 ARG N N 123.482 0.400 1 409 . 38 ARG H H 9.469 0.020 1 410 . 38 ARG CA C 57.700 0.400 1 411 . 38 ARG HA H 4.393 0.020 1 412 . 38 ARG CB C 31.910 0.400 1 413 . 38 ARG HB2 H 2.001 0.020 2 414 . 38 ARG HB3 H 1.666 0.020 2 415 . 38 ARG CG C 26.490 0.400 1 416 . 38 ARG HG2 H 1.587 0.020 2 417 . 38 ARG HG3 H 1.480 0.020 2 418 . 38 ARG CD C 43.970 0.400 1 419 . 38 ARG HD2 H 3.280 0.020 2 420 . 38 ARG HD3 H 3.209 0.020 2 421 . 38 ARG C C 176.561 0.400 1 422 . 39 CYS N N 118.688 0.400 1 423 . 39 CYS H H 8.515 0.020 1 424 . 39 CYS CA C 58.810 0.400 1 425 . 39 CYS HA H 4.792 0.020 1 426 . 39 CYS CB C 32.540 0.400 1 427 . 39 CYS HB2 H 3.187 0.020 2 428 . 39 CYS HB3 H 2.530 0.020 2 429 . 39 CYS C C 176.778 0.400 1 430 . 40 HIS N N 116.834 0.400 1 431 . 40 HIS H H 7.545 0.020 1 432 . 40 HIS CA C 57.830 0.400 1 433 . 40 HIS HA H 4.464 0.020 1 434 . 40 HIS CB C 28.630 0.400 1 435 . 40 HIS HB2 H 3.592 0.020 2 436 . 40 HIS HB3 H 3.254 0.020 2 437 . 40 HIS CD2 C 118.227 0.400 1 438 . 40 HIS HD2 H 6.880 0.020 1 439 . 40 HIS C C 173.932 0.400 1 440 . 41 SER N N 117.649 0.400 1 441 . 41 SER H H 8.825 0.020 1 442 . 41 SER CA C 59.590 0.400 1 443 . 41 SER HA H 4.414 0.020 1 444 . 41 SER CB C 64.490 0.400 1 445 . 41 SER HB2 H 4.166 0.020 2 446 . 41 SER HB3 H 3.997 0.020 2 447 . 41 SER C C 176.175 0.400 1 448 . 42 THR N N 114.373 0.400 1 449 . 42 THR H H 8.441 0.020 1 450 . 42 THR CA C 61.680 0.400 1 451 . 42 THR HA H 4.692 0.020 1 452 . 42 THR CB C 68.940 0.400 1 453 . 42 THR HB H 4.706 0.020 1 454 . 42 THR HG2 H 1.359 0.020 1 455 . 42 THR CG2 C 21.900 0.400 1 456 . 42 THR C C 175.454 0.400 1 457 . 43 ASN N N 124.920 0.400 1 458 . 43 ASN H H 8.959 0.020 1 459 . 43 ASN CA C 51.990 0.400 1 460 . 43 ASN HA H 4.874 0.020 1 461 . 43 ASN CB C 36.910 0.400 1 462 . 43 ASN HB2 H 3.036 0.020 2 463 . 43 ASN HB3 H 2.642 0.020 2 464 . 43 ASN C C 172.776 0.400 1 465 . 44 LEU N N 120.925 0.400 1 466 . 44 LEU H H 7.707 0.020 1 467 . 44 LEU CA C 53.250 0.400 1 468 . 44 LEU HA H 4.979 0.020 1 469 . 44 LEU CB C 44.640 0.400 1 470 . 44 LEU HB2 H 1.693 0.020 2 471 . 44 LEU HB3 H 0.999 0.020 2 472 . 44 LEU CG C 27.280 0.400 1 473 . 44 LEU HG H 1.328 0.020 1 474 . 44 LEU HD1 H 0.370 0.020 2 475 . 44 LEU HD2 H 0.521 0.020 2 476 . 44 LEU CD1 C 25.740 0.400 1 477 . 44 LEU CD2 C 23.250 0.400 1 478 . 44 LEU C C 176.788 0.400 1 479 . 45 ARG N N 121.309 0.400 1 480 . 45 ARG H H 8.963 0.020 1 481 . 45 ARG CA C 53.570 0.400 1 482 . 45 ARG HA H 4.832 0.020 1 483 . 45 ARG CB C 33.280 0.400 1 484 . 45 ARG HB2 H 1.770 0.020 2 485 . 45 ARG HB3 H 1.702 0.020 2 486 . 45 ARG CG C 26.830 0.400 1 487 . 45 ARG HG2 H 1.530 0.020 1 488 . 45 ARG HG3 H 1.530 0.020 1 489 . 45 ARG CD C 43.340 0.400 1 490 . 45 ARG HD2 H 3.173 0.020 2 491 . 45 ARG HD3 H 3.124 0.020 2 492 . 45 ARG C C 174.980 0.400 1 493 . 46 LEU N N 125.247 0.400 1 494 . 46 LEU H H 8.777 0.020 1 495 . 46 LEU CA C 55.420 0.400 1 496 . 46 LEU HA H 4.487 0.020 1 497 . 46 LEU CB C 42.720 0.400 1 498 . 46 LEU HB2 H 1.581 0.020 2 499 . 46 LEU HB3 H 1.508 0.020 2 500 . 46 LEU CG C 27.060 0.400 1 501 . 46 LEU HG H 1.588 0.020 1 502 . 46 LEU HD1 H 0.861 0.020 2 503 . 46 LEU HD2 H 0.819 0.020 2 504 . 46 LEU CD1 C 25.130 0.400 1 505 . 46 LEU CD2 C 24.410 0.400 1 506 . 46 LEU C C 176.749 0.400 1 507 . 47 LYS N N 125.575 0.400 1 508 . 47 LYS H H 8.770 0.020 1 509 . 47 LYS CA C 55.880 0.400 1 510 . 47 LYS HA H 4.391 0.020 1 511 . 47 LYS CB C 34.220 0.400 1 512 . 47 LYS HB2 H 1.763 0.020 2 513 . 47 LYS HB3 H 1.506 0.020 2 514 . 47 LYS CG C 25.040 0.400 1 515 . 47 LYS HG2 H 1.379 0.020 1 516 . 47 LYS HG3 H 1.379 0.020 1 517 . 47 LYS CD C 30.470 0.400 1 518 . 47 LYS HD2 H 1.744 0.020 1 519 . 47 LYS HD3 H 1.744 0.020 1 520 . 47 LYS CE C 42.090 0.400 1 521 . 47 LYS HE2 H 2.963 0.020 1 522 . 47 LYS HE3 H 2.963 0.020 1 523 . 47 LYS C C 175.197 0.400 1 524 . 48 LYS N N 125.200 0.400 1 525 . 48 LYS H H 8.484 0.020 1 526 . 48 LYS CA C 55.710 0.400 1 527 . 48 LYS HA H 4.473 0.020 1 528 . 48 LYS CB C 33.700 0.400 1 529 . 48 LYS HB2 H 1.773 0.020 2 530 . 48 LYS HB3 H 1.726 0.020 2 531 . 48 LYS CG C 24.770 0.400 1 532 . 48 LYS HG2 H 1.392 0.020 2 533 . 48 LYS HG3 H 1.336 0.020 2 534 . 48 LYS CD C 29.700 0.400 1 535 . 48 LYS HD2 H 1.517 0.020 1 536 . 48 LYS HD3 H 1.517 0.020 1 537 . 48 LYS CE C 42.130 0.400 1 538 . 48 LYS HE2 H 2.949 0.020 1 539 . 48 LYS HE3 H 2.949 0.020 1 540 . 48 LYS C C 176.116 0.400 1 541 . 49 LYS N N 123.826 0.400 1 542 . 49 LYS H H 8.457 0.020 1 543 . 49 LYS CA C 56.310 0.400 1 544 . 49 LYS HA H 4.295 0.020 1 545 . 49 LYS CB C 33.390 0.400 1 546 . 49 LYS HB2 H 1.755 0.020 2 547 . 49 LYS HB3 H 1.648 0.020 2 548 . 49 LYS CG C 24.490 0.400 1 549 . 49 LYS HG2 H 1.374 0.020 1 550 . 49 LYS HG3 H 1.374 0.020 1 551 . 49 LYS CD C 29.590 0.400 1 552 . 49 LYS HD2 H 1.662 0.020 1 553 . 49 LYS HD3 H 1.662 0.020 1 554 . 49 LYS CE C 42.070 0.400 1 555 . 49 LYS HE2 H 2.948 0.020 1 556 . 49 LYS HE3 H 2.948 0.020 1 557 . 49 LYS C C 175.869 0.400 1 558 . 50 GLU N N 124.017 0.400 1 559 . 50 GLU H H 8.554 0.020 1 560 . 50 GLU CA C 55.850 0.400 1 561 . 50 GLU HA H 4.370 0.020 1 562 . 50 GLU CB C 30.440 0.400 1 563 . 50 GLU HB2 H 1.994 0.020 2 564 . 50 GLU HB3 H 1.875 0.020 2 565 . 50 GLU CG C 36.000 0.400 1 566 . 50 GLU HG2 H 2.247 0.020 2 567 . 50 GLU HG3 H 2.208 0.020 2 568 . 50 GLU C C 176.017 0.400 1 569 . 51 LEU N N 125.036 0.400 1 570 . 51 LEU H H 8.470 0.020 1 571 . 51 LEU CA C 52.650 0.400 1 572 . 51 LEU HA H 4.604 0.020 1 573 . 51 LEU CB C 41.710 0.400 1 574 . 51 LEU HB2 H 1.596 0.020 2 575 . 51 LEU HB3 H 1.554 0.020 2 576 . 51 LEU HD1 H 0.869 0.020 2 577 . 51 LEU HD2 H 0.883 0.020 2 578 . 51 LEU CD1 C 25.070 0.400 1 579 . 51 LEU CD2 C 23.490 0.400 1 580 . 51 LEU C C 175.296 0.400 1 581 . 52 PRO CD C 50.490 0.400 1 582 . 52 PRO CA C 62.990 0.400 1 583 . 52 PRO HA H 4.501 0.020 1 584 . 52 PRO CB C 32.000 0.400 1 585 . 52 PRO HB2 H 2.296 0.020 2 586 . 52 PRO HB3 H 1.905 0.020 2 587 . 52 PRO CG C 27.510 0.400 1 588 . 52 PRO HG2 H 2.019 0.020 1 589 . 52 PRO HG3 H 2.019 0.020 1 590 . 52 PRO HD2 H 3.817 0.020 2 591 . 52 PRO HD3 H 3.641 0.020 2 592 . 52 PRO C C 177.035 0.400 1 593 . 53 THR N N 114.981 0.400 1 594 . 53 THR H H 8.242 0.020 1 595 . 53 THR CA C 61.920 0.400 1 596 . 53 THR HA H 4.292 0.020 1 597 . 53 THR CB C 70.120 0.400 1 598 . 53 THR HB H 4.179 0.020 1 599 . 53 THR HG2 H 1.203 0.020 1 600 . 53 THR CG2 C 21.360 0.400 1 601 . 53 THR C C 174.525 0.400 1 602 . 54 LYS N N 124.405 0.400 1 603 . 54 LYS H H 8.370 0.020 1 stop_ save_