data_16121 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of Archaeal L14e Ribosomal Protein from Sulfolobus sulfataricus ; _BMRB_accession_number 16121 _BMRB_flat_file_name bmr16121.str _Entry_type original _Submission_date 2009-01-14 _Accession_date 2009-01-14 _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 Edmondson Stephen P. . 2 Shriver John W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 564 "13C chemical shifts" 420 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-06-17 update BMRB 'complete entry citation' 2009-05-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, Stability, and Flexibility of Ribosomal Protein L14e from Sulfolobus solfataricus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19432457 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edmondson Stephen P. . 2 Turri Jacquelyn . . 3 Smith Kelley L. . 4 Clark Andrew T. . 5 Shriver John W. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 48 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5553 _Page_last 5562 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name L14e_ribosomal_protein _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L14e_ribosomal_protein $L14e_ribosomal_protein 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_L14e_ribosomal_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L14e_ribosomal_protein _Name_variant . _Abbreviation_common . _Molecular_mass 10881.970 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MPAIEVGRICVKVKGREAGS KCVIVDIIDDNFVLVTGPKD ITGVKRRRVNILHLEPTDKK IDIQKGASDEEVKKKLEESN LTEYMKEKIKIRMPTL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 ALA 4 ILE 5 GLU 6 VAL 7 GLY 8 ARG 9 ILE 10 CYS 11 VAL 12 LYS 13 VAL 14 LYS 15 GLY 16 ARG 17 GLU 18 ALA 19 GLY 20 SER 21 LYS 22 CYS 23 VAL 24 ILE 25 VAL 26 ASP 27 ILE 28 ILE 29 ASP 30 ASP 31 ASN 32 PHE 33 VAL 34 LEU 35 VAL 36 THR 37 GLY 38 PRO 39 LYS 40 ASP 41 ILE 42 THR 43 GLY 44 VAL 45 LYS 46 ARG 47 ARG 48 ARG 49 VAL 50 ASN 51 ILE 52 LEU 53 HIS 54 LEU 55 GLU 56 PRO 57 THR 58 ASP 59 LYS 60 LYS 61 ILE 62 ASP 63 ILE 64 GLN 65 LYS 66 GLY 67 ALA 68 SER 69 ASP 70 GLU 71 GLU 72 VAL 73 LYS 74 LYS 75 LYS 76 LEU 77 GLU 78 GLU 79 SER 80 ASN 81 LEU 82 THR 83 GLU 84 TYR 85 MET 86 LYS 87 GLU 88 LYS 89 ILE 90 LYS 91 ILE 92 ARG 93 MET 94 PRO 95 THR 96 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15210 "50s ribosomal protein l14e" 100.00 96 100.00 100.00 1.36e-59 PDB 2JOY "Nmr Structure Of 50s Ribosomal Protein L14e From Sulfolobus Solfataricus: Northeast Structural Genomics Consortium Target Ssr10" 100.00 96 100.00 100.00 1.36e-59 PDB 2KDS "Structure Of Ribosomal Protein L14e From Sulfolobus Solfataricus" 98.96 95 100.00 100.00 1.11e-58 GB AAK40722 "LSU ribosomal protein L14E (rpl14E) [Sulfolobus solfataricus P2]" 100.00 96 100.00 100.00 1.36e-59 GB ACX91605 "50S ribosomal protein L14 [Sulfolobus solfataricus 98/2]" 100.00 96 100.00 100.00 1.36e-59 GB AKA73699 "50S ribosomal protein L14e [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 GB AKA76396 "50S ribosomal protein L14e [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 GB AKA79089 "50S ribosomal protein L14e [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 REF WP_009988801 "50S ribosomal protein L14 [Sulfolobus solfataricus]" 100.00 96 100.00 100.00 1.36e-59 SP Q980C1 "RecName: Full=50S ribosomal protein L14e" 100.00 96 100.00 100.00 1.36e-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 _Strain _Gene_mnemonic $L14e_ribosomal_protein 'Sulfolobus solfataricus' 2287 Archaea . Sulfolobus solfataricus P2 RPL14e 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 $L14e_ribosomal_protein 'recombinant technology' . Escherichia coli RosettaBlue(DE3) pETBlue-2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_h2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L14e_ribosomal_protein 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_d2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L14e_ribosomal_protein 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_n15 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L14e_ribosomal_protein 1.0 mM '[U-100% 15N]' DSS 0.2 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_rdc _Saveframe_category sample _Sample_type solution _Details 'liquid crystalline media of n-alkyl-poly(ethylene glycol) and hexanol' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L14e_ribosomal_protein 1 mM '[U-100% 15N]' C12E5 5 % 'natural abundance' hexanol 1.0 r 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version aqua loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . http://www.onemoonscientific.com stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . http://www.pasteur.fr/recherche/unites/Binfs/aria stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.19 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . http://nmr.cit.nih.gov/xplor-nih stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spec_800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spec_500 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _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_n15 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_h2o save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_h2o save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_h2o save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_h2o save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_h2o save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_h2o save_ save_3D_HCC_TOCSY-NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC_TOCSY-NNH' _Sample_label $sample_h2o save_ save_3D_CCC-TOCSY-NNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCC-TOCSY-NNH' _Sample_label $sample_h2o save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_d2o save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_d2o save_ save_HBCBCGCDHD_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample_h2o save_ save_2D_DQF-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_h2o save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_h2o save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_h2o save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_h2o save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_d2o save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_d2o save_ save_2D_1H-15N_NOE_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N NOE' _Sample_label $sample_h2o save_ save_2D_1H-15N_T1_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T1' _Sample_label $sample_h2o save_ save_2D_1H-15N_T1rho_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T1rho' _Sample_label $sample_h2o save_ save_3D_HNCO-IPAP_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO-IPAP' _Sample_label $sample_rdc save_ ####################### # Sample conditions # ####################### save_sample_conditions_standard _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.0 . pH pressure 1.0 . atm temperature 303.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assignments_sso8 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNHA' '3D HCC_TOCSY-NNH' '3D CCC-TOCSY-NNH' '3D HCCH-TOCSY' '3D HCCH-COSY' HBCBCGCDHD '2D DQF-COSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_n15 $sample_h2o $sample_d2o stop_ _Sample_conditions_label $sample_conditions_standard _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name L14e_ribosomal_protein _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 2 2 PRO HA H 4.279 . 1 2 2 2 PRO HB2 H 2.406 . 2 3 2 2 PRO HB3 H 1.781 . 2 4 2 2 PRO HD2 H 3.386 . 2 5 2 2 PRO HD3 H 3.314 . 2 6 2 2 PRO HG2 H 1.992 . 2 7 2 2 PRO HG3 H 1.867 . 2 8 2 2 PRO CA C 61.757 . 1 9 2 2 PRO CB C 32.181 . 1 10 2 2 PRO CD C 49.158 . 1 11 2 2 PRO CG C 26.590 . 1 12 3 3 ALA H H 8.418 . 1 13 3 3 ALA HA H 4.242 . 1 14 3 3 ALA HB H 1.351 . 1 15 3 3 ALA C C 171.733 . 1 16 3 3 ALA CA C 53.120 . 1 17 3 3 ALA CB C 19.076 . 1 18 3 3 ALA N N 122.573 . 1 19 4 4 ILE H H 8.389 . 1 20 4 4 ILE HA H 3.730 . 1 21 4 4 ILE HB H 2.102 . 1 22 4 4 ILE HD1 H 0.778 . 1 23 4 4 ILE HG12 H 1.504 . 9 24 4 4 ILE HG13 H 1.447 . 9 25 4 4 ILE HG2 H 0.778 . 4 26 4 4 ILE C C 177.391 . 1 27 4 4 ILE CA C 60.039 . 1 28 4 4 ILE CB C 34.720 . 1 29 4 4 ILE CD1 C 10.107 . 1 30 4 4 ILE CG1 C 26.029 . 2 31 4 4 ILE CG2 C 16.911 . 2 32 4 4 ILE N N 119.283 . 1 33 5 5 GLU H H 6.799 . 1 34 5 5 GLU HA H 4.630 . 1 35 5 5 GLU HB2 H 2.047 . 2 36 5 5 GLU HB3 H 1.880 . 2 37 5 5 GLU HG2 H 2.190 . 2 38 5 5 GLU HG3 H 2.190 . 2 39 5 5 GLU C C 173.009 . 1 40 5 5 GLU CA C 53.474 . 1 41 5 5 GLU CB C 32.091 . 1 42 5 5 GLU CG C 34.439 . 1 43 5 5 GLU N N 122.616 . 1 44 6 6 VAL H H 8.899 . 1 45 6 6 VAL HA H 3.318 . 1 46 6 6 VAL HB H 1.991 . 1 47 6 6 VAL HG1 H 0.957 . 4 48 6 6 VAL HG2 H 0.792 . 4 49 6 6 VAL C C 174.172 . 1 50 6 6 VAL CA C 65.581 . 1 51 6 6 VAL CB C 30.939 . 1 52 6 6 VAL CG1 C 22.684 . 2 53 6 6 VAL CG2 C 20.862 . 2 54 6 6 VAL N N 122.205 . 1 55 7 7 GLY H H 9.478 . 1 56 7 7 GLY HA2 H 5.016 . 2 57 7 7 GLY HA3 H 3.187 . 2 58 7 7 GLY C C 176.688 . 1 59 7 7 GLY CA C 44.580 . 1 60 7 7 GLY N N 115.742 . 1 61 8 8 ARG H H 8.128 . 1 62 8 8 ARG HA H 4.226 . 1 63 8 8 ARG HB2 H 2.239 . 2 64 8 8 ARG HB3 H 2.129 . 2 65 8 8 ARG HD2 H 3.846 . 2 66 8 8 ARG HD3 H 3.728 . 2 67 8 8 ARG HG2 H 2.020 . 2 68 8 8 ARG HG3 H 1.886 . 2 69 8 8 ARG C C 173.667 . 1 70 8 8 ARG CA C 54.906 . 1 71 8 8 ARG CB C 29.331 . 1 72 8 8 ARG CD C 40.555 . 1 73 8 8 ARG CG C 24.054 . 1 74 8 8 ARG N N 120.180 . 1 75 9 9 ILE H H 8.571 . 1 76 9 9 ILE HA H 4.965 . 1 77 9 9 ILE HB H 1.901 . 1 78 9 9 ILE HD1 H 0.892 . 1 79 9 9 ILE HG12 H 1.751 . 9 80 9 9 ILE HG13 H 1.225 . 9 81 9 9 ILE HG2 H 1.225 . 4 82 9 9 ILE C C 175.361 . 1 83 9 9 ILE CA C 61.241 . 1 84 9 9 ILE CB C 36.712 . 1 85 9 9 ILE CD1 C 15.111 . 1 86 9 9 ILE CG1 C 29.697 . 2 87 9 9 ILE CG2 C 18.276 . 2 88 9 9 ILE N N 129.626 . 1 89 10 10 CYS H H 9.614 . 1 90 10 10 CYS HA H 5.471 . 1 91 10 10 CYS HB2 H 2.720 . 2 92 10 10 CYS HB3 H 2.410 . 2 93 10 10 CYS C C 177.158 . 1 94 10 10 CYS CA C 57.088 . 1 95 10 10 CYS CB C 32.935 . 1 96 10 10 CYS N N 126.595 . 1 97 11 11 VAL H H 8.926 . 1 98 11 11 VAL HA H 4.351 . 1 99 11 11 VAL HB H 1.901 . 1 100 11 11 VAL HG1 H 0.849 . 4 101 11 11 VAL HG2 H 0.753 . 4 102 11 11 VAL C C 172.010 . 1 103 11 11 VAL CA C 60.857 . 1 104 11 11 VAL CB C 33.989 . 1 105 11 11 VAL CG1 C 21.461 . 2 106 11 11 VAL CG2 C 20.709 . 2 107 11 11 VAL N N 119.765 . 1 108 12 12 LYS H H 8.961 . 1 109 12 12 LYS HA H 4.510 . 1 110 12 12 LYS HB2 H 2.131 . 2 111 12 12 LYS HB3 H 1.562 . 2 112 12 12 LYS HD2 H 1.732 . 2 113 12 12 LYS HD3 H 1.623 . 2 114 12 12 LYS HE2 H 3.055 . 2 115 12 12 LYS HE3 H 3.055 . 2 116 12 12 LYS HG2 H 1.562 . 2 117 12 12 LYS HG3 H 1.470 . 2 118 12 12 LYS C C 175.625 . 1 119 12 12 LYS CA C 56.422 . 1 120 12 12 LYS CB C 32.726 . 1 121 12 12 LYS CD C 29.808 . 1 122 12 12 LYS CE C 42.513 . 1 123 12 12 LYS CG C 25.849 . 1 124 12 12 LYS N N 127.967 . 1 125 13 13 VAL H H 8.522 . 1 126 13 13 VAL HA H 4.518 . 1 127 13 13 VAL HB H 2.398 . 1 128 13 13 VAL HG1 H 0.862 . 4 129 13 13 VAL HG2 H 0.720 . 4 130 13 13 VAL C C 176.284 . 1 131 13 13 VAL CA C 61.492 . 1 132 13 13 VAL CB C 32.089 . 1 133 13 13 VAL CG1 C 21.809 . 2 134 13 13 VAL CG2 C 18.048 . 2 135 13 13 VAL N N 118.593 . 1 136 14 14 LYS H H 7.310 . 1 137 14 14 LYS HA H 4.580 . 1 138 14 14 LYS HB2 H 1.425 . 2 139 14 14 LYS HB3 H 1.126 . 2 140 14 14 LYS HD2 H 1.425 . 2 141 14 14 LYS HD3 H 1.344 . 2 142 14 14 LYS HE2 H 2.849 . 2 143 14 14 LYS HE3 H 2.849 . 2 144 14 14 LYS HG2 H 1.126 . 2 145 14 14 LYS HG3 H 1.126 . 2 146 14 14 LYS C C 174.043 . 1 147 14 14 LYS CA C 54.090 . 1 148 14 14 LYS CB C 36.489 . 1 149 14 14 LYS CD C 28.375 . 1 150 14 14 LYS CE C 41.835 . 1 151 14 14 LYS CG C 24.913 . 1 152 14 14 LYS N N 117.809 . 1 153 15 15 GLY H H 8.548 . 1 154 15 15 GLY HA2 H 4.264 . 2 155 15 15 GLY HA3 H 3.845 . 2 156 15 15 GLY C C 175.166 . 1 157 15 15 GLY CA C 43.993 . 1 158 15 15 GLY N N 108.732 . 1 159 16 16 ARG H H 8.618 . 1 160 16 16 ARG HA H 4.082 . 1 161 16 16 ARG HB2 H 1.863 . 2 162 16 16 ARG HB3 H 1.863 . 2 163 16 16 ARG HD2 H 3.279 . 2 164 16 16 ARG HD3 H 3.279 . 2 165 16 16 ARG HG2 H 1.761 . 2 166 16 16 ARG HG3 H 1.761 . 2 167 16 16 ARG C C 174.254 . 1 168 16 16 ARG CA C 57.950 . 1 169 16 16 ARG CB C 29.776 . 1 170 16 16 ARG CD C 42.903 . 1 171 16 16 ARG CG C 27.162 . 1 172 16 16 ARG N N 120.561 . 1 173 17 17 GLU H H 8.935 . 1 174 17 17 GLU HA H 4.190 . 1 175 17 17 GLU HB2 H 2.227 . 2 176 17 17 GLU HB3 H 2.055 . 2 177 17 17 GLU HG2 H 2.227 . 2 178 17 17 GLU HG3 H 2.227 . 2 179 17 17 GLU C C 177.426 . 1 180 17 17 GLU CA C 55.386 . 1 181 17 17 GLU CB C 27.412 . 1 182 17 17 GLU CG C 35.494 . 1 183 17 17 GLU N N 115.930 . 1 184 18 18 ALA H H 7.267 . 1 185 18 18 ALA HA H 3.737 . 1 186 18 18 ALA HB H 1.200 . 1 187 18 18 ALA C C 174.969 . 1 188 18 18 ALA CA C 53.272 . 1 189 18 18 ALA CB C 17.382 . 1 190 18 18 ALA N N 120.485 . 1 191 19 19 GLY H H 9.424 . 1 192 19 19 GLY HA2 H 4.680 . 2 193 19 19 GLY HA3 H 3.451 . 2 194 19 19 GLY C C 178.386 . 1 195 19 19 GLY CA C 44.905 . 1 196 19 19 GLY N N 112.194 . 1 197 20 20 SER H H 8.162 . 1 198 20 20 SER HA H 4.861 . 1 199 20 20 SER HB2 H 3.925 . 2 200 20 20 SER HB3 H 3.925 . 2 201 20 20 SER C C 173.441 . 1 202 20 20 SER CA C 58.253 . 1 203 20 20 SER CB C 64.447 . 1 204 20 20 SER N N 115.207 . 1 205 21 21 LYS H H 8.836 . 1 206 21 21 LYS HA H 5.369 . 1 207 21 21 LYS HB2 H 2.085 . 2 208 21 21 LYS HB3 H 1.888 . 2 209 21 21 LYS HD2 H 1.603 . 2 210 21 21 LYS HD3 H 1.440 . 2 211 21 21 LYS HE2 H 2.599 . 2 212 21 21 LYS HE3 H 2.599 . 2 213 21 21 LYS HG2 H 1.603 . 2 214 21 21 LYS HG3 H 1.257 . 2 215 21 21 LYS C C 172.859 . 1 216 21 21 LYS CA C 55.508 . 1 217 21 21 LYS CB C 34.795 . 1 218 21 21 LYS CD C 30.171 . 1 219 21 21 LYS CE C 42.250 . 1 220 21 21 LYS CG C 27.228 . 1 221 21 21 LYS N N 121.269 . 1 222 22 22 CYS H H 8.905 . 1 223 22 22 CYS HA H 5.527 . 1 224 22 22 CYS HB2 H 3.117 . 2 225 22 22 CYS HB3 H 2.313 . 2 226 22 22 CYS C C 174.204 . 1 227 22 22 CYS CA C 55.584 . 1 228 22 22 CYS CB C 30.941 . 1 229 22 22 CYS N N 110.073 . 1 230 23 23 VAL H H 9.325 . 1 231 23 23 VAL HA H 4.761 . 1 232 23 23 VAL HB H 1.775 . 1 233 23 23 VAL HG1 H 0.911 . 4 234 23 23 VAL HG2 H 0.773 . 4 235 23 23 VAL C C 171.121 . 1 236 23 23 VAL CA C 60.552 . 1 237 23 23 VAL CB C 35.141 . 1 238 23 23 VAL CG1 C 21.402 . 2 239 23 23 VAL CG2 C 20.821 . 2 240 23 23 VAL N N 119.042 . 1 241 24 24 ILE H H 8.239 . 1 242 24 24 ILE HA H 4.239 . 1 243 24 24 ILE HB H 2.280 . 1 244 24 24 ILE HD1 H 0.918 . 1 245 24 24 ILE HG12 H 1.887 . 9 246 24 24 ILE HG13 H 1.020 . 9 247 24 24 ILE HG2 H 0.762 . 4 248 24 24 ILE C C 175.805 . 1 249 24 24 ILE CA C 62.552 . 1 250 24 24 ILE CB C 36.819 . 1 251 24 24 ILE CD1 C 14.317 . 1 252 24 24 ILE CG1 C 27.908 . 2 253 24 24 ILE CG2 C 17.667 . 2 254 24 24 ILE N N 124.259 . 1 255 25 25 VAL H H 9.205 . 1 256 25 25 VAL HA H 4.689 . 1 257 25 25 VAL HB H 2.240 . 1 258 25 25 VAL HG1 H 0.815 . 4 259 25 25 VAL HG2 H 0.651 . 4 260 25 25 VAL C C 175.650 . 1 261 25 25 VAL CA C 60.947 . 1 262 25 25 VAL CB C 32.986 . 1 263 25 25 VAL CG1 C 22.839 . 2 264 25 25 VAL CG2 C 19.075 . 2 265 25 25 VAL N N 121.805 . 1 266 26 26 ASP H H 8.103 . 1 267 26 26 ASP HA H 4.771 . 1 268 26 26 ASP HB2 H 2.558 . 2 269 26 26 ASP HB3 H 2.406 . 2 270 26 26 ASP C C 174.343 . 1 271 26 26 ASP CA C 53.671 . 1 272 26 26 ASP CB C 43.563 . 1 273 26 26 ASP N N 118.459 . 1 274 27 27 ILE H H 9.092 . 1 275 27 27 ILE HA H 4.273 . 1 276 27 27 ILE HB H 1.932 . 1 277 27 27 ILE HD1 H 0.759 . 1 278 27 27 ILE HG12 H 1.452 . 9 279 27 27 ILE HG13 H 1.215 . 9 280 27 27 ILE HG2 H 0.874 . 4 281 27 27 ILE C C 173.976 . 1 282 27 27 ILE CA C 60.306 . 1 283 27 27 ILE CB C 38.339 . 1 284 27 27 ILE CD1 C 12.052 . 1 285 27 27 ILE CG1 C 26.845 . 2 286 27 27 ILE CG2 C 17.242 . 2 287 27 27 ILE N N 124.375 . 1 288 28 28 ILE H H 8.055 . 1 289 28 28 ILE HA H 3.986 . 1 290 28 28 ILE HB H 1.733 . 1 291 28 28 ILE HD1 H 0.687 . 1 292 28 28 ILE HG12 H 1.204 . 9 293 28 28 ILE HG13 H 1.143 . 9 294 28 28 ILE HG2 H 0.845 . 4 295 28 28 ILE C C 174.733 . 1 296 28 28 ILE CA C 62.414 . 1 297 28 28 ILE CB C 37.450 . 1 298 28 28 ILE CD1 C 12.188 . 1 299 28 28 ILE CG1 C 27.582 . 2 300 28 28 ILE CG2 C 16.796 . 2 301 28 28 ILE N N 127.525 . 1 302 29 29 ASP H H 8.438 . 1 303 29 29 ASP HA H 4.522 . 1 304 29 29 ASP HB2 H 3.201 . 2 305 29 29 ASP HB3 H 3.125 . 2 306 29 29 ASP C C 175.289 . 1 307 29 29 ASP CA C 53.316 . 1 308 29 29 ASP CB C 39.450 . 1 309 29 29 ASP N N 118.886 . 1 310 30 30 ASP H H 8.140 . 1 311 30 30 ASP HA H 4.375 . 1 312 30 30 ASP HB2 H 2.706 . 2 313 30 30 ASP HB3 H 2.518 . 2 314 30 30 ASP C C 174.332 . 1 315 30 30 ASP CA C 56.171 . 1 316 30 30 ASP CB C 40.302 . 1 317 30 30 ASP N N 112.219 . 1 318 31 31 ASN H H 8.866 . 1 319 31 31 ASN HA H 4.805 . 1 320 31 31 ASN HB2 H 2.613 . 2 321 31 31 ASN HB3 H 2.186 . 2 322 31 31 ASN C C 175.926 . 1 323 31 31 ASN CA C 54.015 . 1 324 31 31 ASN CB C 42.366 . 1 325 31 31 ASN N N 114.650 . 1 326 32 32 PHE H H 8.481 . 1 327 32 32 PHE HA H 5.279 . 1 328 32 32 PHE HB2 H 2.828 . 2 329 32 32 PHE HB3 H 2.600 . 2 330 32 32 PHE HD1 H 7.340 . 2 331 32 32 PHE HD2 H 7.340 . 2 332 32 32 PHE C C 173.451 . 1 333 32 32 PHE CA C 57.629 . 1 334 32 32 PHE CB C 42.418 . 1 335 32 32 PHE N N 117.648 . 1 336 33 33 VAL H H 8.680 . 1 337 33 33 VAL HA H 4.720 . 1 338 33 33 VAL HB H 2.490 . 1 339 33 33 VAL HG1 H 0.962 . 4 340 33 33 VAL HG2 H 0.704 . 4 341 33 33 VAL C C 174.458 . 1 342 33 33 VAL CA C 58.331 . 1 343 33 33 VAL CB C 34.410 . 1 344 33 33 VAL CG1 C 23.180 . 2 345 33 33 VAL CG2 C 18.951 . 2 346 33 33 VAL N N 110.814 . 1 347 34 34 LEU H H 8.696 . 1 348 34 34 LEU HA H 4.871 . 1 349 34 34 LEU HB2 H 1.751 . 2 350 34 34 LEU HB3 H 1.143 . 2 351 34 34 LEU HD1 H 0.805 . 4 352 34 34 LEU HD2 H 0.805 . 4 353 34 34 LEU HG H 1.254 . 1 354 34 34 LEU C C 172.716 . 1 355 34 34 LEU CA C 53.776 . 1 356 34 34 LEU CB C 44.582 . 1 357 34 34 LEU CD1 C 25.279 . 2 358 34 34 LEU CD2 C 22.837 . 2 359 34 34 LEU CG C 27.015 . 1 360 34 34 LEU N N 123.160 . 1 361 35 35 VAL H H 8.460 . 1 362 35 35 VAL HA H 5.674 . 1 363 35 35 VAL HB H 1.827 . 1 364 35 35 VAL HG1 H 0.872 . 4 365 35 35 VAL HG2 H 0.872 . 4 366 35 35 VAL C C 176.009 . 1 367 35 35 VAL CA C 57.423 . 1 368 35 35 VAL CB C 35.541 . 1 369 35 35 VAL CG1 C 22.498 . 2 370 35 35 VAL CG2 C 18.293 . 2 371 35 35 VAL N N 119.184 . 1 372 36 36 THR H H 8.362 . 1 373 36 36 THR HA H 4.535 . 1 374 36 36 THR HB H 3.919 . 1 375 36 36 THR HG2 H 0.956 . 1 376 36 36 THR C C 173.498 . 1 377 36 36 THR CA C 59.643 . 1 378 36 36 THR CB C 70.439 . 1 379 36 36 THR CG2 C 20.623 . 1 380 36 36 THR N N 109.151 . 1 381 37 37 GLY H H 7.571 . 1 382 37 37 GLY C C 172.460 . 1 383 37 37 GLY CA C 51.421 . 1 384 37 37 GLY N N 115.474 . 1 385 38 38 PRO HA H 5.235 . 1 386 38 38 PRO HB2 H 2.374 . 2 387 38 38 PRO HB3 H 2.109 . 2 388 38 38 PRO HD2 H 3.388 . 2 389 38 38 PRO HD3 H 3.179 . 2 390 38 38 PRO HG2 H 1.784 . 2 391 38 38 PRO HG3 H 1.589 . 2 392 38 38 PRO CA C 60.459 . 1 393 38 38 PRO CB C 35.517 . 1 394 38 38 PRO CD C 49.795 . 1 395 38 38 PRO CG C 25.978 . 1 396 39 39 LYS H H 9.463 . 1 397 39 39 LYS HA H 3.545 . 1 398 39 39 LYS HB2 H 1.874 . 2 399 39 39 LYS HB3 H 1.788 . 2 400 39 39 LYS HD2 H 1.673 . 2 401 39 39 LYS HD3 H 1.673 . 2 402 39 39 LYS HE2 H 3.012 . 2 403 39 39 LYS HE3 H 3.012 . 2 404 39 39 LYS HG2 H 1.398 . 2 405 39 39 LYS HG3 H 1.297 . 2 406 39 39 LYS C C 179.019 . 1 407 39 39 LYS CA C 60.344 . 1 408 39 39 LYS CB C 31.826 . 1 409 39 39 LYS CD C 29.274 . 1 410 39 39 LYS CE C 41.853 . 1 411 39 39 LYS CG C 23.683 . 1 412 39 39 LYS N N 127.869 . 1 413 40 40 ASP H H 9.035 . 1 414 40 40 ASP HA H 4.375 . 1 415 40 40 ASP HB2 H 2.747 . 2 416 40 40 ASP HB3 H 2.555 . 2 417 40 40 ASP C C 177.615 . 1 418 40 40 ASP CA C 55.080 . 1 419 40 40 ASP CB C 39.209 . 1 420 40 40 ASP N N 115.744 . 1 421 41 41 ILE H H 7.739 . 1 422 41 41 ILE HA H 4.218 . 1 423 41 41 ILE HB H 1.830 . 1 424 41 41 ILE HD1 H 0.804 . 1 425 41 41 ILE HG12 H 1.321 . 9 426 41 41 ILE HG13 H 1.245 . 9 427 41 41 ILE HG2 H 0.804 . 4 428 41 41 ILE C C 174.826 . 1 429 41 41 ILE CA C 61.664 . 1 430 41 41 ILE CB C 37.453 . 1 431 41 41 ILE CD1 C 10.875 . 1 432 41 41 ILE CG1 C 26.882 . 2 433 41 41 ILE CG2 C 17.895 . 2 434 41 41 ILE N N 116.447 . 1 435 42 42 THR H H 7.766 . 1 436 42 42 THR HA H 4.734 . 1 437 42 42 THR HB H 4.734 . 1 438 42 42 THR HG2 H 1.026 . 1 439 42 42 THR C C 175.827 . 1 440 42 42 THR CA C 60.110 . 1 441 42 42 THR CB C 71.791 . 1 442 42 42 THR CG2 C 23.256 . 1 443 42 42 THR N N 104.054 . 1 444 43 43 GLY H H 7.844 . 1 445 43 43 GLY HA2 H 4.461 . 2 446 43 43 GLY HA3 H 3.836 . 2 447 43 43 GLY C C 175.208 . 1 448 43 43 GLY CA C 44.826 . 1 449 43 43 GLY N N 109.006 . 1 450 44 44 VAL H H 7.289 . 1 451 44 44 VAL HA H 3.945 . 1 452 44 44 VAL HB H 1.483 . 1 453 44 44 VAL HG1 H 0.807 . 4 454 44 44 VAL HG2 H 0.902 . 4 455 44 44 VAL C C 173.149 . 1 456 44 44 VAL CA C 62.902 . 1 457 44 44 VAL CB C 31.715 . 1 458 44 44 VAL CG1 C 22.087 . 2 459 44 44 VAL CG2 C 20.527 . 2 460 44 44 VAL N N 120.903 . 1 461 45 45 LYS H H 8.308 . 1 462 45 45 LYS HA H 4.190 . 1 463 45 45 LYS HB2 H 1.873 . 2 464 45 45 LYS HB3 H 1.688 . 2 465 45 45 LYS HD2 H 1.688 . 2 466 45 45 LYS HD3 H 1.596 . 2 467 45 45 LYS HE2 H 3.030 . 2 468 45 45 LYS HE3 H 3.030 . 2 469 45 45 LYS HG2 H 1.596 . 2 470 45 45 LYS HG3 H 1.417 . 2 471 45 45 LYS C C 175.177 . 1 472 45 45 LYS CA C 56.355 . 1 473 45 45 LYS CB C 33.385 . 1 474 45 45 LYS CD C 29.172 . 1 475 45 45 LYS CE C 41.818 . 1 476 45 45 LYS CG C 25.907 . 1 477 45 45 LYS N N 128.406 . 1 478 46 46 ARG H H 8.080 . 1 479 46 46 ARG HA H 5.720 . 1 480 46 46 ARG HB2 H 1.956 . 2 481 46 46 ARG HB3 H 1.956 . 2 482 46 46 ARG HD2 H 3.380 . 2 483 46 46 ARG HD3 H 3.218 . 2 484 46 46 ARG HG2 H 1.463 . 2 485 46 46 ARG HG3 H 1.463 . 2 486 46 46 ARG C C 173.780 . 1 487 46 46 ARG CA C 54.888 . 1 488 46 46 ARG CB C 29.630 . 1 489 46 46 ARG CD C 43.168 . 1 490 46 46 ARG CG C 28.729 . 1 491 46 46 ARG N N 120.129 . 1 492 47 47 ARG H H 8.452 . 1 493 47 47 ARG HA H 4.732 . 1 494 47 47 ARG HB2 H 1.891 . 2 495 47 47 ARG HB3 H 1.797 . 2 496 47 47 ARG HD2 H 3.237 . 2 497 47 47 ARG HD3 H 3.149 . 2 498 47 47 ARG HG2 H 1.637 . 2 499 47 47 ARG HG3 H 1.396 . 2 500 47 47 ARG C C 176.138 . 1 501 47 47 ARG CA C 54.319 . 1 502 47 47 ARG CB C 33.746 . 1 503 47 47 ARG CD C 43.510 . 1 504 47 47 ARG CG C 25.631 . 1 505 47 47 ARG N N 126.780 . 1 506 48 48 ARG H H 8.546 . 1 507 48 48 ARG HA H 5.111 . 1 508 48 48 ARG HB2 H 1.717 . 2 509 48 48 ARG HB3 H 1.621 . 2 510 48 48 ARG HD2 H 2.855 . 2 511 48 48 ARG HD3 H 2.855 . 2 512 48 48 ARG HG2 H 1.621 . 2 513 48 48 ARG HG3 H 1.417 . 2 514 48 48 ARG C C 174.339 . 1 515 48 48 ARG CA C 55.524 . 1 516 48 48 ARG CB C 31.132 . 1 517 48 48 ARG CD C 43.357 . 1 518 48 48 ARG CG C 27.361 . 1 519 48 48 ARG N N 121.931 . 1 520 49 49 VAL H H 9.485 . 1 521 49 49 VAL HA H 4.651 . 1 522 49 49 VAL HB H 1.905 . 1 523 49 49 VAL HG1 H 0.950 . 4 524 49 49 VAL HG2 H 1.034 . 4 525 49 49 VAL C C 176.112 . 1 526 49 49 VAL CA C 60.040 . 1 527 49 49 VAL CB C 36.427 . 1 528 49 49 VAL CG1 C 22.796 . 2 529 49 49 VAL CG2 C 21.965 . 2 530 49 49 VAL N N 122.891 . 1 531 50 50 ASN H H 8.569 . 1 532 50 50 ASN HA H 4.213 . 1 533 50 50 ASN HB2 H 2.151 . 2 534 50 50 ASN HB3 H 1.729 . 2 535 50 50 ASN C C 173.258 . 1 536 50 50 ASN CA C 52.732 . 1 537 50 50 ASN CB C 38.173 . 1 538 50 50 ASN N N 125.736 . 1 539 51 51 ILE H H 8.601 . 1 540 51 51 ILE HA H 3.632 . 1 541 51 51 ILE HB H 1.712 . 1 542 51 51 ILE HD1 H 0.931 . 1 543 51 51 ILE HG12 H 1.402 . 9 544 51 51 ILE HG13 H 1.139 . 9 545 51 51 ILE HG2 H 0.931 . 4 546 51 51 ILE C C 176.785 . 1 547 51 51 ILE CA C 65.046 . 1 548 51 51 ILE CB C 38.532 . 1 549 51 51 ILE CD1 C 13.896 . 1 550 51 51 ILE CG1 C 28.161 . 2 551 51 51 ILE CG2 C 18.581 . 2 552 51 51 ILE N N 126.454 . 1 553 52 52 LEU H H 8.448 . 1 554 52 52 LEU HA H 4.290 . 1 555 52 52 LEU HB2 H 1.494 . 2 556 52 52 LEU HB3 H 1.419 . 2 557 52 52 LEU HD1 H 0.898 . 4 558 52 52 LEU HD2 H 0.898 . 4 559 52 52 LEU HG H 1.668 . 1 560 52 52 LEU C C 176.765 . 1 561 52 52 LEU CA C 55.880 . 1 562 52 52 LEU CB C 40.983 . 1 563 52 52 LEU CD1 C 24.938 . 2 564 52 52 LEU CD2 C 22.321 . 2 565 52 52 LEU CG C 26.639 . 1 566 52 52 LEU N N 118.365 . 1 567 53 53 HIS H H 8.358 . 1 568 53 53 HIS HA H 4.621 . 1 569 53 53 HIS HB2 H 3.423 . 2 570 53 53 HIS HB3 H 3.285 . 2 571 53 53 HIS C C 178.018 . 1 572 53 53 HIS CA C 53.996 . 1 573 53 53 HIS CB C 30.306 . 1 574 53 53 HIS N N 116.672 . 1 575 54 54 LEU H H 7.693 . 1 576 54 54 LEU HA H 5.222 . 1 577 54 54 LEU HB2 H 1.929 . 2 578 54 54 LEU HB3 H 1.032 . 2 579 54 54 LEU HD1 H 0.701 . 4 580 54 54 LEU HD2 H 0.701 . 4 581 54 54 LEU HG H 1.569 . 1 582 54 54 LEU C C 173.609 . 1 583 54 54 LEU CA C 52.932 . 1 584 54 54 LEU CB C 45.943 . 1 585 54 54 LEU CD1 C 26.374 . 2 586 54 54 LEU CD2 C 23.386 . 2 587 54 54 LEU CG C 26.374 . 1 588 54 54 LEU N N 119.311 . 1 589 55 55 GLU H H 9.073 . 1 590 55 55 GLU C C 175.102 . 1 591 55 55 GLU CA C 52.073 . 1 592 55 55 GLU CB C 31.958 . 1 593 55 55 GLU N N 120.139 . 1 594 56 56 PRO HA H 4.903 . 1 595 56 56 PRO HB2 H 2.007 . 2 596 56 56 PRO HB3 H 1.919 . 2 597 56 56 PRO HD2 H 3.954 . 2 598 56 56 PRO HD3 H 3.684 . 2 599 56 56 PRO HG2 H 2.220 . 2 600 56 56 PRO HG3 H 1.919 . 2 601 56 56 PRO CA C 63.121 . 1 602 56 56 PRO CB C 32.274 . 1 603 56 56 PRO CD C 50.917 . 1 604 56 56 PRO CG C 27.247 . 1 605 57 57 THR H H 8.502 . 1 606 57 57 THR HA H 4.932 . 1 607 57 57 THR HB H 4.605 . 1 608 57 57 THR HG2 H 1.355 . 1 609 57 57 THR C C 175.894 . 1 610 57 57 THR CA C 60.602 . 1 611 57 57 THR CB C 71.821 . 1 612 57 57 THR CG2 C 20.688 . 1 613 57 57 THR N N 113.388 . 1 614 58 58 ASP H H 8.605 . 1 615 58 58 ASP HA H 4.445 . 1 616 58 58 ASP HB2 H 2.915 . 2 617 58 58 ASP HB3 H 2.683 . 2 618 58 58 ASP C C 173.673 . 1 619 58 58 ASP CA C 53.743 . 1 620 58 58 ASP CB C 39.622 . 1 621 58 58 ASP N N 115.340 . 1 622 59 59 LYS H H 8.544 . 1 623 59 59 LYS HA H 4.646 . 1 624 59 59 LYS HB2 H 1.797 . 2 625 59 59 LYS HB3 H 1.531 . 2 626 59 59 LYS HD2 H 1.240 . 2 627 59 59 LYS HD3 H 1.102 . 2 628 59 59 LYS HE2 H 2.380 . 2 629 59 59 LYS HE3 H 2.380 . 2 630 59 59 LYS HG2 H 1.240 . 2 631 59 59 LYS HG3 H 0.839 . 2 632 59 59 LYS C C 174.972 . 1 633 59 59 LYS CA C 54.336 . 1 634 59 59 LYS CB C 34.626 . 1 635 59 59 LYS CD C 28.063 . 1 636 59 59 LYS CE C 41.915 . 1 637 59 59 LYS CG C 24.047 . 1 638 59 59 LYS N N 119.488 . 1 639 60 60 LYS H H 8.227 . 1 640 60 60 LYS HA H 4.999 . 1 641 60 60 LYS HB2 H 1.557 . 2 642 60 60 LYS HB3 H 1.557 . 2 643 60 60 LYS HD2 H 1.557 . 2 644 60 60 LYS HD3 H 1.438 . 2 645 60 60 LYS HE2 H 2.915 . 2 646 60 60 LYS HE3 H 2.915 . 2 647 60 60 LYS HG2 H 1.244 . 2 648 60 60 LYS HG3 H 1.026 . 2 649 60 60 LYS C C 174.256 . 1 650 60 60 LYS CA C 54.465 . 1 651 60 60 LYS CB C 36.153 . 1 652 60 60 LYS CD C 29.355 . 1 653 60 60 LYS CE C 41.874 . 1 654 60 60 LYS CG C 23.708 . 1 655 60 60 LYS N N 121.112 . 1 656 61 61 ILE H H 8.527 . 1 657 61 61 ILE HA H 4.724 . 1 658 61 61 ILE HB H 1.653 . 1 659 61 61 ILE HD1 H 0.827 . 1 660 61 61 ILE HG12 H 1.422 . 9 661 61 61 ILE HG13 H 1.221 . 9 662 61 61 ILE HG2 H 0.827 . 4 663 61 61 ILE C C 174.330 . 1 664 61 61 ILE CA C 58.831 . 1 665 61 61 ILE CB C 41.357 . 1 666 61 61 ILE CD1 C 15.470 . 1 667 61 61 ILE CG1 C 24.470 . 2 668 61 61 ILE CG2 C 18.470 . 2 669 61 61 ILE N N 116.027 . 1 670 62 62 ASP H H 8.513 . 1 671 62 62 ASP HA H 4.732 . 1 672 62 62 ASP HB2 H 2.685 . 2 673 62 62 ASP HB3 H 2.510 . 2 674 62 62 ASP C C 174.224 . 1 675 62 62 ASP CA C 53.163 . 1 676 62 62 ASP CB C 39.686 . 1 677 62 62 ASP N N 121.643 . 1 678 63 63 ILE H H 7.389 . 1 679 63 63 ILE HA H 4.641 . 1 680 63 63 ILE HB H 1.926 . 1 681 63 63 ILE HD1 H 0.844 . 1 682 63 63 ILE HG12 H 1.299 . 9 683 63 63 ILE HG13 H 0.786 . 9 684 63 63 ILE HG2 H 0.786 . 4 685 63 63 ILE C C 174.484 . 1 686 63 63 ILE CA C 58.244 . 1 687 63 63 ILE CB C 41.811 . 1 688 63 63 ILE CD1 C 14.846 . 1 689 63 63 ILE CG1 C 24.604 . 2 690 63 63 ILE CG2 C 19.079 . 2 691 63 63 ILE N N 114.509 . 1 692 64 64 GLN H H 8.529 . 1 693 64 64 GLN HA H 4.390 . 1 694 64 64 GLN HB2 H 2.089 . 2 695 64 64 GLN HB3 H 2.015 . 2 696 64 64 GLN HG2 H 2.459 . 2 697 64 64 GLN HG3 H 2.373 . 2 698 64 64 GLN C C 174.409 . 1 699 64 64 GLN CA C 53.860 . 1 700 64 64 GLN CB C 30.086 . 1 701 64 64 GLN CG C 33.497 . 1 702 64 64 GLN N N 119.145 . 1 703 65 65 LYS H H 8.323 . 1 704 65 65 LYS HA H 4.132 . 1 705 65 65 LYS HB2 H 1.905 . 2 706 65 65 LYS HB3 H 1.801 . 2 707 65 65 LYS HD2 H 1.801 . 2 708 65 65 LYS HD3 H 1.557 . 2 709 65 65 LYS HE2 H 3.070 . 2 710 65 65 LYS HE3 H 3.070 . 2 711 65 65 LYS HG2 H 1.557 . 2 712 65 65 LYS HG3 H 1.415 . 2 713 65 65 LYS C C 174.920 . 1 714 65 65 LYS CA C 57.603 . 1 715 65 65 LYS CB C 32.341 . 1 716 65 65 LYS CD C 29.584 . 1 717 65 65 LYS CE C 41.605 . 1 718 65 65 LYS CG C 24.379 . 1 719 65 65 LYS N N 119.780 . 1 720 66 66 GLY H H 9.313 . 1 721 66 66 GLY HA2 H 4.093 . 2 722 66 66 GLY HA3 H 3.297 . 2 723 66 66 GLY C C 177.892 . 1 724 66 66 GLY CA C 44.953 . 1 725 66 66 GLY N N 112.449 . 1 726 67 67 ALA H H 7.545 . 1 727 67 67 ALA HA H 4.081 . 1 728 67 67 ALA HB H 1.497 . 1 729 67 67 ALA C C 173.517 . 1 730 67 67 ALA CA C 52.802 . 1 731 67 67 ALA CB C 20.424 . 1 732 67 67 ALA N N 121.516 . 1 733 68 68 SER H H 8.904 . 1 734 68 68 SER HA H 4.261 . 1 735 68 68 SER HB2 H 4.453 . 2 736 68 68 SER HB3 H 4.176 . 2 737 68 68 SER C C 177.019 . 1 738 68 68 SER CA C 57.321 . 1 739 68 68 SER CB C 65.064 . 1 740 68 68 SER N N 119.470 . 1 741 69 69 ASP H H 9.379 . 1 742 69 69 ASP HA H 4.184 . 1 743 69 69 ASP HB2 H 2.825 . 2 744 69 69 ASP HB3 H 2.685 . 2 745 69 69 ASP C C 173.831 . 1 746 69 69 ASP CA C 57.843 . 1 747 69 69 ASP CB C 39.367 . 1 748 69 69 ASP N N 122.205 . 1 749 70 70 GLU H H 8.454 . 1 750 70 70 GLU HA H 3.966 . 1 751 70 70 GLU HB2 H 2.091 . 2 752 70 70 GLU HB3 H 1.991 . 2 753 70 70 GLU HG2 H 2.422 . 2 754 70 70 GLU HG3 H 2.335 . 2 755 70 70 GLU C C 177.979 . 1 756 70 70 GLU CA C 59.987 . 1 757 70 70 GLU CB C 28.804 . 1 758 70 70 GLU CG C 36.325 . 1 759 70 70 GLU N N 118.426 . 1 760 71 71 GLU H H 7.835 . 1 761 71 71 GLU HA H 4.050 . 1 762 71 71 GLU HB2 H 2.273 . 2 763 71 71 GLU HB3 H 2.098 . 2 764 71 71 GLU HG2 H 2.357 . 2 765 71 71 GLU HG3 H 2.273 . 2 766 71 71 GLU C C 178.486 . 1 767 71 71 GLU CA C 58.998 . 1 768 71 71 GLU CB C 29.068 . 1 769 71 71 GLU CG C 36.248 . 1 770 71 71 GLU N N 122.166 . 1 771 72 72 VAL H H 8.387 . 1 772 72 72 VAL HA H 3.295 . 1 773 72 72 VAL HB H 2.140 . 1 774 72 72 VAL HG1 H 0.901 . 4 775 72 72 VAL HG2 H 0.741 . 4 776 72 72 VAL C C 178.603 . 1 777 72 72 VAL CA C 66.989 . 1 778 72 72 VAL CB C 31.242 . 1 779 72 72 VAL CG1 C 23.520 . 2 780 72 72 VAL CG2 C 22.561 . 2 781 72 72 VAL N N 118.871 . 1 782 73 73 LYS H H 8.619 . 1 783 73 73 LYS HA H 3.734 . 1 784 73 73 LYS HB2 H 1.928 . 2 785 73 73 LYS HB3 H 1.928 . 2 786 73 73 LYS HD2 H 1.766 . 2 787 73 73 LYS HD3 H 1.766 . 2 788 73 73 LYS HE2 H 2.886 . 2 789 73 73 LYS HE3 H 2.886 . 2 790 73 73 LYS HG2 H 1.601 . 2 791 73 73 LYS HG3 H 1.330 . 2 792 73 73 LYS C C 177.118 . 1 793 73 73 LYS CA C 60.695 . 1 794 73 73 LYS CB C 32.320 . 1 795 73 73 LYS CD C 29.432 . 1 796 73 73 LYS CE C 41.411 . 1 797 73 73 LYS CG C 25.890 . 1 798 73 73 LYS N N 118.351 . 1 799 74 74 LYS H H 7.886 . 1 800 74 74 LYS HA H 4.133 . 1 801 74 74 LYS HB2 H 1.975 . 2 802 74 74 LYS HB3 H 1.975 . 2 803 74 74 LYS HD2 H 1.729 . 2 804 74 74 LYS HD3 H 1.729 . 2 805 74 74 LYS HE2 H 3.002 . 2 806 74 74 LYS HE3 H 3.002 . 2 807 74 74 LYS HG2 H 1.578 . 2 808 74 74 LYS HG3 H 1.443 . 2 809 74 74 LYS C C 178.306 . 1 810 74 74 LYS CA C 58.954 . 1 811 74 74 LYS CB C 31.974 . 1 812 74 74 LYS CD C 28.910 . 1 813 74 74 LYS CE C 41.787 . 1 814 74 74 LYS CG C 24.504 . 1 815 74 74 LYS N N 118.808 . 1 816 75 75 LYS H H 8.118 . 1 817 75 75 LYS HA H 4.228 . 1 818 75 75 LYS HB2 H 1.961 . 2 819 75 75 LYS HB3 H 1.723 . 2 820 75 75 LYS HD2 H 1.723 . 2 821 75 75 LYS HD3 H 1.723 . 2 822 75 75 LYS HE2 H 3.113 . 2 823 75 75 LYS HE3 H 3.113 . 2 824 75 75 LYS HG2 H 1.581 . 2 825 75 75 LYS HG3 H 1.581 . 2 826 75 75 LYS C C 178.795 . 1 827 75 75 LYS CA C 57.158 . 1 828 75 75 LYS CB C 31.382 . 1 829 75 75 LYS CD C 27.213 . 1 830 75 75 LYS CE C 41.704 . 1 831 75 75 LYS CG C 24.433 . 1 832 75 75 LYS N N 118.374 . 1 833 76 76 LEU H H 8.778 . 1 834 76 76 LEU HA H 3.931 . 1 835 76 76 LEU HB2 H 2.162 . 2 836 76 76 LEU HB3 H 1.050 . 2 837 76 76 LEU HD1 H 0.826 . 4 838 76 76 LEU HD2 H 0.826 . 4 839 76 76 LEU HG H 1.962 . 1 840 76 76 LEU C C 180.241 . 1 841 76 76 LEU CA C 58.203 . 1 842 76 76 LEU CB C 42.015 . 1 843 76 76 LEU CD1 C 27.342 . 2 844 76 76 LEU CD2 C 23.584 . 2 845 76 76 LEU CG C 27.342 . 1 846 76 76 LEU N N 121.253 . 1 847 77 77 GLU H H 7.951 . 1 848 77 77 GLU HA H 4.227 . 1 849 77 77 GLU HB2 H 2.311 . 2 850 77 77 GLU HB3 H 2.180 . 2 851 77 77 GLU HG2 H 2.428 . 2 852 77 77 GLU HG3 H 2.311 . 2 853 77 77 GLU C C 178.403 . 1 854 77 77 GLU CA C 58.892 . 1 855 77 77 GLU CB C 28.925 . 1 856 77 77 GLU CG C 35.544 . 1 857 77 77 GLU N N 119.306 . 1 858 78 78 GLU H H 8.595 . 1 859 78 78 GLU HA H 4.099 . 1 860 78 78 GLU HB2 H 2.193 . 2 861 78 78 GLU HB3 H 2.193 . 2 862 78 78 GLU HG2 H 2.588 . 2 863 78 78 GLU HG3 H 2.366 . 2 864 78 78 GLU C C 180.586 . 1 865 78 78 GLU CA C 58.850 . 1 866 78 78 GLU CB C 29.878 . 1 867 78 78 GLU CG C 36.113 . 1 868 78 78 GLU N N 120.814 . 1 869 79 79 SER H H 7.519 . 1 870 79 79 SER HA H 4.592 . 1 871 79 79 SER HB2 H 4.125 . 2 872 79 79 SER HB3 H 3.799 . 2 873 79 79 SER C C 177.761 . 1 874 79 79 SER CA C 58.324 . 1 875 79 79 SER CB C 63.796 . 1 876 79 79 SER N N 110.823 . 1 877 80 80 ASN H H 8.126 . 1 878 80 80 ASN HA H 4.700 . 1 879 80 80 ASN HB2 H 3.211 . 2 880 80 80 ASN HB3 H 2.808 . 2 881 80 80 ASN C C 172.562 . 1 882 80 80 ASN CA C 53.603 . 1 883 80 80 ASN CB C 36.754 . 1 884 80 80 ASN N N 117.027 . 1 885 81 81 LEU H H 8.526 . 1 886 81 81 LEU HA H 4.767 . 1 887 81 81 LEU HB2 H 1.668 . 2 888 81 81 LEU HB3 H 1.534 . 2 889 81 81 LEU HD1 H 0.614 . 4 890 81 81 LEU HD2 H 0.706 . 4 891 81 81 LEU HG H 1.534 . 1 892 81 81 LEU C C 175.743 . 1 893 81 81 LEU CA C 54.008 . 1 894 81 81 LEU CB C 45.026 . 1 895 81 81 LEU CD1 C 22.398 . 2 896 81 81 LEU CD2 C 21.332 . 2 897 81 81 LEU CG C 25.717 . 1 898 81 81 LEU N N 114.910 . 1 899 82 82 THR H H 7.848 . 1 900 82 82 THR HA H 4.117 . 1 901 82 82 THR HB H 3.450 . 1 902 82 82 THR HG2 H 1.185 . 1 903 82 82 THR C C 176.676 . 1 904 82 82 THR CA C 67.474 . 1 905 82 82 THR CB C 68.235 . 1 906 82 82 THR CG2 C 22.592 . 1 907 82 82 THR N N 117.802 . 1 908 83 83 GLU H H 8.335 . 1 909 83 83 GLU HA H 3.915 . 1 910 83 83 GLU HB2 H 2.050 . 2 911 83 83 GLU HB3 H 2.050 . 2 912 83 83 GLU HG2 H 2.343 . 2 913 83 83 GLU HG3 H 2.343 . 2 914 83 83 GLU C C 175.177 . 1 915 83 83 GLU CA C 59.541 . 1 916 83 83 GLU CB C 27.819 . 1 917 83 83 GLU CG C 35.971 . 1 918 83 83 GLU N N 118.314 . 1 919 84 84 TYR H H 8.043 . 1 920 84 84 TYR HA H 4.111 . 1 921 84 84 TYR HB2 H 3.299 . 2 922 84 84 TYR HB3 H 3.022 . 2 923 84 84 TYR HD1 H 7.062 . 2 924 84 84 TYR HD2 H 7.062 . 2 925 84 84 TYR HE1 H 6.818 . 2 926 84 84 TYR HE2 H 6.818 . 2 927 84 84 TYR C C 179.081 . 1 928 84 84 TYR CA C 60.788 . 1 929 84 84 TYR CB C 37.753 . 1 930 84 84 TYR N N 121.386 . 1 931 85 85 MET H H 8.101 . 1 932 85 85 MET HA H 4.259 . 1 933 85 85 MET HB2 H 2.305 . 2 934 85 85 MET HB3 H 1.748 . 2 935 85 85 MET HG2 H 3.065 . 2 936 85 85 MET HG3 H 2.487 . 2 937 85 85 MET C C 178.628 . 1 938 85 85 MET CA C 55.244 . 1 939 85 85 MET CB C 29.597 . 1 940 85 85 MET CG C 33.338 . 1 941 85 85 MET N N 116.695 . 1 942 86 86 LYS H H 7.301 . 1 943 86 86 LYS HA H 3.937 . 1 944 86 86 LYS HB2 H 1.987 . 2 945 86 86 LYS HB3 H 1.788 . 2 946 86 86 LYS HD2 H 1.678 . 2 947 86 86 LYS HD3 H 1.678 . 2 948 86 86 LYS HE2 H 2.981 . 2 949 86 86 LYS HE3 H 2.844 . 2 950 86 86 LYS HG2 H 1.467 . 2 951 86 86 LYS HG3 H 1.678 . 2 952 86 86 LYS C C 175.934 . 1 953 86 86 LYS CA C 57.318 . 1 954 86 86 LYS CB C 32.956 . 1 955 86 86 LYS CD C 29.503 . 1 956 86 86 LYS CE C 41.885 . 1 957 86 86 LYS CG C 25.628 . 1 958 86 86 LYS N N 114.957 . 1 959 87 87 GLU H H 7.031 . 1 960 87 87 GLU HA H 4.185 . 1 961 87 87 GLU HB2 H 1.793 . 2 962 87 87 GLU HB3 H 1.793 . 2 963 87 87 GLU HG2 H 2.385 . 2 964 87 87 GLU HG3 H 2.128 . 2 965 87 87 GLU C C 176.247 . 1 966 87 87 GLU CA C 55.780 . 1 967 87 87 GLU CB C 29.358 . 1 968 87 87 GLU CG C 35.201 . 1 969 87 87 GLU N N 119.315 . 1 970 88 88 LYS H H 8.466 . 1 971 88 88 LYS HA H 4.568 . 1 972 88 88 LYS HB2 H 1.659 . 2 973 88 88 LYS HB3 H 1.659 . 2 974 88 88 LYS HD2 H 1.465 . 2 975 88 88 LYS HD3 H 1.465 . 2 976 88 88 LYS HE2 H 3.021 . 2 977 88 88 LYS HE3 H 3.021 . 2 978 88 88 LYS HG2 H 1.400 . 2 979 88 88 LYS HG3 H 1.400 . 2 980 88 88 LYS C C 175.539 . 1 981 88 88 LYS CA C 55.271 . 1 982 88 88 LYS CB C 33.457 . 1 983 88 88 LYS CD C 28.892 . 1 984 88 88 LYS CE C 41.988 . 1 985 88 88 LYS CG C 24.933 . 1 986 88 88 LYS N N 127.402 . 1 987 89 89 ILE H H 8.752 . 1 988 89 89 ILE HA H 4.249 . 1 989 89 89 ILE HB H 1.829 . 1 990 89 89 ILE HD1 H 0.777 . 1 991 89 89 ILE HG12 H 1.376 . 9 992 89 89 ILE HG13 H 1.286 . 9 993 89 89 ILE HG2 H 0.870 . 4 994 89 89 ILE C C 176.471 . 1 995 89 89 ILE CA C 59.014 . 1 996 89 89 ILE CB C 38.437 . 1 997 89 89 ILE CD1 C 11.576 . 1 998 89 89 ILE CG1 C 27.293 . 2 999 89 89 ILE CG2 C 17.239 . 2 1000 89 89 ILE N N 122.906 . 1 1001 90 90 LYS H H 8.394 . 1 1002 90 90 LYS HA H 4.284 . 1 1003 90 90 LYS HB2 H 1.749 . 2 1004 90 90 LYS HB3 H 1.699 . 2 1005 90 90 LYS HD2 H 1.432 . 2 1006 90 90 LYS HD3 H 1.432 . 2 1007 90 90 LYS HE2 H 2.996 . 2 1008 90 90 LYS HE3 H 2.996 . 2 1009 90 90 LYS HG2 H 1.340 . 2 1010 90 90 LYS HG3 H 1.340 . 2 1011 90 90 LYS C C 175.276 . 1 1012 90 90 LYS CA C 55.821 . 1 1013 90 90 LYS CB C 31.860 . 1 1014 90 90 LYS CD C 28.748 . 1 1015 90 90 LYS CE C 41.822 . 1 1016 90 90 LYS CG C 24.523 . 1 1017 90 90 LYS N N 125.894 . 1 1018 91 91 ILE H H 8.141 . 1 1019 91 91 ILE HA H 4.165 . 1 1020 91 91 ILE HB H 1.845 . 1 1021 91 91 ILE HD1 H 0.797 . 1 1022 91 91 ILE HG12 H 1.346 . 9 1023 91 91 ILE HG13 H 1.288 . 9 1024 91 91 ILE HG2 H 0.885 . 4 1025 91 91 ILE C C 175.506 . 1 1026 91 91 ILE CA C 59.516 . 1 1027 91 91 ILE CB C 37.991 . 1 1028 91 91 ILE CD1 C 11.756 . 1 1029 91 91 ILE CG1 C 26.579 . 2 1030 91 91 ILE CG2 C 17.244 . 2 1031 91 91 ILE N N 124.934 . 1 1032 92 92 ARG H H 8.488 . 1 1033 92 92 ARG HA H 4.318 . 1 1034 92 92 ARG HB2 H 1.817 . 2 1035 92 92 ARG HB3 H 1.744 . 2 1036 92 92 ARG HD2 H 3.201 . 2 1037 92 92 ARG HD3 H 3.201 . 2 1038 92 92 ARG HG2 H 1.642 . 2 1039 92 92 ARG HG3 H 1.570 . 2 1040 92 92 ARG C C 175.508 . 1 1041 92 92 ARG CA C 55.708 . 1 1042 92 92 ARG CB C 30.394 . 1 1043 92 92 ARG CD C 43.020 . 1 1044 92 92 ARG CG C 26.947 . 1 1045 92 92 ARG N N 126.033 . 1 1046 93 93 MET H H 8.362 . 1 1047 93 93 MET C C 175.367 . 1 1048 93 93 MET CA C 52.994 . 1 1049 93 93 MET CB C 32.271 . 1 1050 93 93 MET N N 123.282 . 1 1051 94 94 PRO HA H 4.505 . 1 1052 94 94 PRO HB2 H 2.302 . 2 1053 94 94 PRO HB3 H 1.955 . 2 1054 94 94 PRO HD2 H 3.824 . 2 1055 94 94 PRO HD3 H 3.725 . 2 1056 94 94 PRO HG2 H 2.040 . 2 1057 94 94 PRO HG3 H 2.040 . 2 1058 94 94 PRO CA C 62.884 . 1 1059 94 94 PRO CB C 31.885 . 1 1060 94 94 PRO CD C 50.332 . 1 1061 94 94 PRO CG C 27.074 . 1 1062 95 95 THR H H 8.180 . 1 1063 95 95 THR HA H 4.320 . 1 1064 95 95 THR HB H 4.231 . 1 1065 95 95 THR HG2 H 1.229 . 1 1066 95 95 THR C C 176.463 . 1 1067 95 95 THR CA C 61.391 . 1 1068 95 95 THR CB C 69.583 . 1 1069 95 95 THR CG2 C 21.399 . 1 1070 95 95 THR N N 114.511 . 1 1071 96 96 LEU H H 7.865 . 1 1072 96 96 LEU C C 173.297 . 1 1073 96 96 LEU CA C 56.546 . 1 1074 96 96 LEU CB C 43.228 . 1 1075 96 96 LEU N N 129.773 . 1 stop_ save_