data_7225 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384. (CASP Target) ; _BMRB_accession_number 7225 _BMRB_flat_file_name bmr7225.str _Entry_type original _Submission_date 2006-07-14 _Accession_date 2006-07-26 _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 Aramini J. M. . 2 Swapna G. V.T. . 3 Ho C. K. . 4 Shetty K. . . 5 Cunningham K. . . 6 Ma L.-C. . . 7 Xiao R. . . 8 Liu J. . . 9 Baran M. . . 10 Acton T. B. . 11 Rost B. . . 12 Montelione G. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 417 "13C chemical shifts" 338 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-07-14 original author 'original release' 2008-07-16 update BMRB 'update entry citation' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18431750 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aramini J. M. . 2 Sharma S. . . 3 Huang Y. J. . 4 Swapna G. V.T. . 5 Ho C. K. . 6 Shetty K. . . 7 Cunningham K. . . 8 Ma L.-C. . . 9 Zhao L. . . 10 Owens L. A. . 11 Jiang M. . . 12 Xiao R. . . 13 Liu J. . . 14 Baran M. C. . 15 Acton T. B. . 16 Rost B. . . 17 Montelione G. T. . stop_ _Journal_abbreviation Proteins _Journal_volume 72 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 526 _Page_last 530 _Year 2008 _Details . loop_ _Keyword AUTOSTRUCTURE NESG 'NMR structure' 'Northeast Structural Genomics Consortium' 'Protein Structure Initiative' PSI-1 SR384 stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'UPF0291 protein ynzC' _Abbreviation_common 'UPF0291 protein ynzC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UPF0291 protein ynzC' $ynzC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ynzC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'UPF0291 protein ynzC' _Abbreviation_common 'UPF0291 protein ynzC' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MISNAKIARINELAAKAKAG VITEEEKAEQQKLRQEYLKG FRSSMKNTLKSVKIIDPEGN DVTPEKLKREQRNNKLHLEH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 SER 4 ASN 5 ALA 6 LYS 7 ILE 8 ALA 9 ARG 10 ILE 11 ASN 12 GLU 13 LEU 14 ALA 15 ALA 16 LYS 17 ALA 18 LYS 19 ALA 20 GLY 21 VAL 22 ILE 23 THR 24 GLU 25 GLU 26 GLU 27 LYS 28 ALA 29 GLU 30 GLN 31 GLN 32 LYS 33 LEU 34 ARG 35 GLN 36 GLU 37 TYR 38 LEU 39 LYS 40 GLY 41 PHE 42 ARG 43 SER 44 SER 45 MET 46 LYS 47 ASN 48 THR 49 LEU 50 LYS 51 SER 52 VAL 53 LYS 54 ILE 55 ILE 56 ASP 57 PRO 58 GLU 59 GLY 60 ASN 61 ASP 62 VAL 63 THR 64 PRO 65 GLU 66 LYS 67 LEU 68 LYS 69 ARG 70 GLU 71 GLN 72 ARG 73 ASN 74 ASN 75 LYS 76 LEU 77 HIS 78 LEU 79 GLU 80 HIS 81 HIS 82 HIS 83 HIS 84 HIS 85 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15476 SR384-1-46 54.12 54 100.00 100.00 5.26e-22 PDB 2HEP "Solution Nmr Structure Of The Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural Genomics Target Sr384" 100.00 85 100.00 100.00 6.80e-53 PDB 2JVD "Solution Nmr Structure Of The Folded N-Terminal Fragment Of Upf0291 Protein Ynzc From Bacillus Subtilis. Northeast Structural G" 54.12 54 100.00 100.00 5.26e-22 PDB 3BHP "Crystal Structure Of Upf0291 Protein Ynzc From Bacillus Subtilis At Resolution 2.0 A. Northeast Structural Genomics Consortium " 60.00 60 98.04 98.04 2.53e-24 DBJ BAI85472 "hypothetical protein BSNT_08369 [Bacillus subtilis subsp. natto BEST195]" 90.59 77 100.00 100.00 1.56e-46 DBJ BAM52440 "hypothetical protein BEST7613_3509 [Synechocystis sp. PCC 6803]" 90.59 77 100.00 100.00 1.56e-46 DBJ BAM58016 "hypothetical protein BEST7003_1815 [Bacillus subtilis BEST7003]" 90.59 77 100.00 100.00 1.56e-46 DBJ GAK81555 "hypothetical protein BSMD_034710 [Bacillus subtilis Miyagi-4]" 90.59 77 100.00 100.00 1.56e-46 EMBL CAB13672 "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" 90.59 77 100.00 100.00 1.56e-46 EMBL CCU58402 "hypothetical protein BSUBE1_1771 [Bacillus subtilis E1]" 90.59 77 100.00 100.00 1.56e-46 EMBL CEI56979 "hypothetical protein BS49_19830 [Bacillus subtilis]" 90.59 77 100.00 100.00 1.56e-46 EMBL CEJ77403 "hypothetical protein BS34A_19820 [Bacillus sp.]" 90.59 77 100.00 100.00 1.56e-46 GB ADV92690 "hypothetical protein BSn5_00270 [Bacillus subtilis BSn5]" 90.59 77 100.00 100.00 1.56e-46 GB AEP90959 "hypothetical protein I33_2000 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 90.59 77 100.00 100.00 1.56e-46 GB AFI28488 "hypothetical protein MY9_1953 [Bacillus sp. JS]" 90.59 77 98.70 100.00 4.40e-46 GB AFQ57722 "YnzC [Bacillus subtilis QB928]" 90.59 77 100.00 100.00 1.56e-46 GB AGE63629 "hypothetical protein C663_1841 [Bacillus subtilis XF-1]" 90.59 77 100.00 100.00 1.56e-46 REF NP_389671 "hypothetical protein BSU17880 [Bacillus subtilis subsp. subtilis str. 168]" 90.59 77 100.00 100.00 1.56e-46 REF WP_003231595 "MULTISPECIES: hypothetical protein [Bacillales]" 90.59 77 100.00 100.00 1.56e-46 REF WP_014664125 "hypothetical protein [Bacillus sp. JS]" 90.59 77 98.70 100.00 4.40e-46 REF WP_019714523 "hypothetical protein [Bacillus subtilis]" 90.59 77 98.70 100.00 5.24e-46 REF WP_024573193 "hypothetical protein [Bacillus subtilis]" 90.59 77 98.70 100.00 7.75e-46 SP O31818 "RecName: Full=UPF0291 protein YnzC [Bacillus subtilis subsp. subtilis str. 168]" 90.59 77 100.00 100.00 1.56e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ynzC 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 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 $ynzC 'recombinant technology' . . . . . 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 $ynzC 1.12 mM '[U-13C; U-15N]' MES 20 mM . NaCl 100 mM . CaCl2 5 mM . DTT 10 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ynzC 1.12 mM '[U-5% 13C; U-15N]' MES 20 mM . NaCl 100 mM . CaCl2 5 mM . DTT 10 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Task collection stop_ _Details Varian save_ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5pl6 loop_ _Task collection stop_ _Details Bruker save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.2.1 loop_ _Task 'data analysis' stop_ _Details 'Zimmerman, Moseley, Montelione' save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Task 'data analysis' stop_ _Details 'Goddard & Kneller' save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1.1 loop_ _Task refinement stop_ _Details 'Huang & Montelione' save_ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.11.2 loop_ _Task refinement stop_ _Details 'Clore et al' save_ save_AGNUS _Saveframe_category software _Name AGNUS _Version 2.0 loop_ _Task 'data analysis' stop_ _Details 'Moseley & Montelione' save_ save_PDBStat _Saveframe_category software _Name PDBStat _Version 4.01 loop_ _Task 'data analysis' stop_ _Details 'Tejero & Montelione' save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.2 loop_ _Task 'data analysis' stop_ _Details 'Bhattacharya & Montelione' 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_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_3D_GFT-CBCACAcoNHN_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D GFT-CBCACAcoNHN' _Sample_label . save_ save_GFT-HNNCACBCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name GFT-HNNCACBCA _Sample_label . save_ save_GFT-HABCABcoNHN_6 _Saveframe_category NMR_applied_experiment _Experiment_name GFT-HABCABcoNHN _Sample_label . save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_CCcoNH_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCcoNH TOCSY' _Sample_label . save_ save_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_high_resolution_2D_CH-HQSC_(for_stereospecific_assignment_of_Val/Leu_methyls)_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'high resolution 2D CH-HQSC (for stereospecific assignment of Val/Leu methyls)' _Sample_label . save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_HNcaCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNcaCO _Sample_label . save_ save_2D_15N1H-heteronuclear_NOE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N1H-heteronuclear NOE' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D GFT-CBCACAcoNHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name GFT-HNNCACBCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name GFT-HABCABcoNHN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCcoNH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'high resolution 2D CH-HQSC (for stereospecific assignment of Val/Leu methyls)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HNcaCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N1H-heteronuclear NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 293 . K 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'UPF0291 protein ynzC' _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 ILE HA H 4.344 . 1 2 . 2 ILE HB H 1.913 . 1 3 . 2 ILE HG12 H 1.574 . 2 4 . 2 ILE HG13 H 1.341 . 2 5 . 2 ILE HG2 H 0.968 . 1 6 . 2 ILE HD1 H 0.860 . 1 7 . 2 ILE C C 174.425 . 1 8 . 2 ILE CA C 61.108 . 1 9 . 2 ILE CB C 39.238 . 1 10 . 2 ILE CG1 C 27.258 . 1 11 . 2 ILE CG2 C 17.523 . 1 12 . 2 ILE CD1 C 13.978 . 1 13 . 3 SER H H 8.095 . 1 14 . 3 SER HA H 4.409 . 1 15 . 3 SER HB2 H 4.224 . 2 16 . 3 SER HB3 H 3.971 . 2 17 . 3 SER C C 174.634 . 1 18 . 3 SER CA C 57.727 . 1 19 . 3 SER CB C 64.797 . 1 20 . 3 SER N N 119.131 . 1 21 . 4 ASN HA H 4.501 . 1 22 . 4 ASN HB2 H 2.831 . 1 23 . 4 ASN HB3 H 2.831 . 1 24 . 4 ASN C C 177.71 . 1 25 . 4 ASN CA C 55.66 . 1 26 . 4 ASN CB C 37.92 . 1 27 . 4 ASN ND2 N 112.93 . 1 28 . 4 ASN HD21 H 7.733 . 1 29 . 4 ASN HD22 H 7.014 . 1 30 . 5 ALA HA H 4.186 . 1 31 . 5 ALA HB H 1.426 . 1 32 . 5 ALA C C 180.561 . 1 33 . 5 ALA CA C 54.955 . 1 34 . 5 ALA CB C 18.394 . 1 35 . 6 LYS H H 7.836 . 1 36 . 6 LYS HA H 4.109 . 1 37 . 6 LYS HB2 H 2.004 . 2 38 . 6 LYS HB3 H 1.717 . 2 39 . 6 LYS HG2 H 1.511 . 2 40 . 6 LYS HG3 H 1.381 . 2 41 . 6 LYS HD2 H 1.718 . 2 42 . 6 LYS HD3 H 1.666 . 2 43 . 6 LYS HE2 H 2.953 . 1 44 . 6 LYS HE3 H 2.953 . 1 45 . 6 LYS C C 178.345 . 1 46 . 6 LYS CA C 59.567 . 1 47 . 6 LYS CB C 32.772 . 1 48 . 6 LYS CG C 26.818 . 1 49 . 6 LYS CD C 29.448 . 1 50 . 6 LYS CE C 42.237 . 1 51 . 6 LYS N N 119.974 . 1 52 . 7 ILE H H 7.905 . 1 53 . 7 ILE HA H 3.593 . 1 54 . 7 ILE HB H 1.923 . 1 55 . 7 ILE HG12 H 1.658 . 2 56 . 7 ILE HG13 H 1.082 . 2 57 . 7 ILE HG2 H 0.878 . 1 58 . 7 ILE HD1 H 0.856 . 1 59 . 7 ILE C C 177.768 . 1 60 . 7 ILE CA C 64.532 . 1 61 . 7 ILE CB C 37.655 . 1 62 . 7 ILE CG1 C 29.078 . 1 63 . 7 ILE CG2 C 17.282 . 1 64 . 7 ILE CD1 C 12.632 . 1 65 . 7 ILE N N 120.562 . 1 66 . 8 ALA H H 8.072 . 1 67 . 8 ALA HA H 4.158 . 1 68 . 8 ALA HB H 1.467 . 1 69 . 8 ALA C C 180.639 . 1 70 . 8 ALA CA C 55.098 . 1 71 . 8 ALA CB C 17.539 . 1 72 . 8 ALA N N 121.450 . 1 73 . 9 ARG H H 7.771 . 1 74 . 9 ARG HA H 4.219 . 1 75 . 9 ARG HB2 H 2.242 . 2 76 . 9 ARG HB3 H 1.963 . 2 77 . 9 ARG HG2 H 1.832 . 2 78 . 9 ARG HG3 H 1.443 . 2 79 . 9 ARG HD2 H 3.450 . 2 80 . 9 ARG HD3 H 2.975 . 2 81 . 9 ARG C C 178.081 . 1 82 . 9 ARG CA C 57.453 . 1 83 . 9 ARG CB C 29.659 . 1 84 . 9 ARG CG C 26.140 . 1 85 . 9 ARG CD C 43.182 . 1 86 . 9 ARG N N 120.748 . 1 87 . 10 ILE H H 8.472 . 1 88 . 10 ILE HA H 3.564 . 1 89 . 10 ILE HB H 2.034 . 1 90 . 10 ILE HG12 H 1.900 . 2 91 . 10 ILE HG13 H 0.903 . 2 92 . 10 ILE HG2 H 0.780 . 1 93 . 10 ILE HD1 H 0.667 . 1 94 . 10 ILE C C 179.273 . 1 95 . 10 ILE CA C 66.444 . 1 96 . 10 ILE CB C 37.853 . 1 97 . 10 ILE CG1 C 31.298 . 1 98 . 10 ILE CG2 C 16.622 . 1 99 . 10 ILE CD1 C 13.412 . 1 100 . 10 ILE N N 121.536 . 1 101 . 11 ASN H H 8.159 . 1 102 . 11 ASN HA H 4.487 . 1 103 . 11 ASN HB2 H 2.885 . 2 104 . 11 ASN HB3 H 2.788 . 2 105 . 11 ASN C C 178.141 . 1 106 . 11 ASN CA C 55.996 . 1 107 . 11 ASN CB C 37.818 . 1 108 . 11 ASN N N 119.327 . 1 109 . 11 ASN ND2 N 112.12 . 1 110 . 11 ASN HD21 H 7.549 . 1 111 . 11 ASN HD22 H 6.890 . 1 112 . 12 GLU H H 8.541 . 1 113 . 12 GLU HA H 4.108 . 1 114 . 12 GLU HB2 H 2.251 . 2 115 . 12 GLU HB3 H 2.180 . 2 116 . 12 GLU HG2 H 2.366 . 2 117 . 12 GLU HG3 H 1.988 . 2 118 . 12 GLU C C 179.656 . 1 119 . 12 GLU CA C 59.314 . 1 120 . 12 GLU CB C 30.116 . 1 121 . 12 GLU CG C 35.992 . 1 122 . 12 GLU N N 124.737 . 1 123 . 13 LEU H H 8.679 . 1 124 . 13 LEU HA H 3.936 . 1 125 . 13 LEU HB2 H 1.929 . 2 126 . 13 LEU HB3 H 1.186 . 2 127 . 13 LEU HG H 1.759 . 1 128 . 13 LEU HD1 H 0.759 . 1 129 . 13 LEU HD2 H 0.734 . 1 130 . 13 LEU C C 178.464 . 1 131 . 13 LEU CA C 57.889 . 1 132 . 13 LEU CB C 41.183 . 1 133 . 13 LEU CG C 26.772 . 1 134 . 13 LEU CD1 C 25.621 . 1 135 . 13 LEU CD2 C 21.621 . 1 136 . 13 LEU N N 119.465 . 1 137 . 14 ALA H H 8.332 . 1 138 . 14 ALA HA H 4.067 . 1 139 . 14 ALA HB H 1.519 . 1 140 . 14 ALA C C 180.884 . 1 141 . 14 ALA CA C 55.077 . 1 142 . 14 ALA CB C 17.864 . 1 143 . 14 ALA N N 122.268 . 1 144 . 15 ALA H H 7.788 . 1 145 . 15 ALA HA H 4.176 . 1 146 . 15 ALA HB H 1.532 . 1 147 . 15 ALA C C 181.250 . 1 148 . 15 ALA CA C 55.126 . 1 149 . 15 ALA CB C 17.754 . 1 150 . 15 ALA N N 121.815 . 1 151 . 16 LYS H H 7.970 . 1 152 . 16 LYS HA H 4.023 . 1 153 . 16 LYS HB2 H 1.890 . 2 154 . 16 LYS HB3 H 1.499 . 2 155 . 16 LYS HG2 H 1.763 . 2 156 . 16 LYS HG3 H 1.310 . 2 157 . 16 LYS HD2 H 1.677 . 2 158 . 16 LYS HD3 H 1.535 . 2 159 . 16 LYS HE2 H 2.919 . 1 160 . 16 LYS HE3 H 2.833 . 2 161 . 16 LYS C C 179.098 . 1 162 . 16 LYS CA C 59.792 . 1 163 . 16 LYS CB C 32.799 . 1 164 . 16 LYS CG C 26.126 . 1 165 . 16 LYS CD C 29.890 . 1 166 . 16 LYS CE C 42.040 . 1 167 . 16 LYS N N 120.063 . 1 168 . 17 ALA H H 8.528 . 1 169 . 17 ALA HA H 4.011 . 1 170 . 17 ALA HB H 1.563 . 1 171 . 17 ALA C C 181.133 . 1 172 . 17 ALA CA C 55.018 . 1 173 . 17 ALA CB C 17.902 . 1 174 . 17 ALA N N 123.107 . 1 175 . 18 LYS H H 8.127 . 1 176 . 18 LYS HA H 4.047 . 1 177 . 18 LYS HB2 H 1.925 . 1 178 . 18 LYS HB3 H 1.925 . 1 179 . 18 LYS HG2 H 1.533 . 2 180 . 18 LYS HG3 H 1.454 . 2 181 . 18 LYS HD2 H 1.675 . 1 182 . 18 LYS HD3 H 1.675 . 1 183 . 18 LYS HE2 H 2.957 . 1 184 . 18 LYS HE3 H 2.957 . 1 185 . 18 LYS C C 177.977 . 1 186 . 18 LYS CA C 59.041 . 1 187 . 18 LYS CB C 32.452 . 1 188 . 18 LYS CG C 25.057 . 1 189 . 18 LYS CD C 29.272 . 1 190 . 18 LYS CE C 42.155 . 1 191 . 18 LYS N N 120.940 . 1 192 . 19 ALA H H 7.658 . 1 193 . 19 ALA HA H 4.346 . 1 194 . 19 ALA HB H 1.532 . 1 195 . 19 ALA C C 177.743 . 1 196 . 19 ALA CA C 52.497 . 1 197 . 19 ALA CB C 19.521 . 1 198 . 19 ALA N N 118.220 . 1 199 . 20 GLY H H 7.753 . 1 200 . 20 GLY HA2 H 4.167 . 2 201 . 20 GLY HA3 H 3.941 . 2 202 . 20 GLY C C 175.025 . 1 203 . 20 GLY CA C 45.938 . 1 204 . 20 GLY N N 106.044 . 1 205 . 21 VAL H H 7.674 . 1 206 . 21 VAL HA H 4.604 . 1 207 . 21 VAL HB H 2.414 . 1 208 . 21 VAL HG1 H 0.845 . 1 209 . 21 VAL HG2 H 0.847 . 1 210 . 21 VAL C C 175.851 . 1 211 . 21 VAL CA C 60.306 . 1 212 . 21 VAL CB C 32.552 . 1 213 . 21 VAL CG1 C 20.967 . 1 214 . 21 VAL CG2 C 18.760 . 1 215 . 21 VAL N N 109.667 . 1 216 . 22 ILE H H 6.836 . 1 217 . 22 ILE HA H 4.344 . 1 218 . 22 ILE HB H 1.273 . 1 219 . 22 ILE HG12 H 1.783 . 2 220 . 22 ILE HG13 H 1.614 . 2 221 . 22 ILE HG2 H 0.857 . 1 222 . 22 ILE HD1 H 0.795 . 1 223 . 22 ILE C C 174.149 . 1 224 . 22 ILE CA C 61.241 . 1 225 . 22 ILE CB C 40.159 . 1 226 . 22 ILE CG1 C 30.569 . 1 227 . 22 ILE CG2 C 15.687 . 1 228 . 22 ILE CD1 C 13.816 . 1 229 . 22 ILE N N 124.006 . 1 230 . 23 THR H H 9.113 . 1 231 . 23 THR HA H 4.591 . 1 232 . 23 THR HB H 4.796 . 1 233 . 23 THR HG2 H 1.310 . 1 234 . 23 THR C C 175.807 . 1 235 . 23 THR CA C 60.983 . 1 236 . 23 THR CB C 71.518 . 1 237 . 23 THR CG2 C 21.630 . 1 238 . 23 THR N N 120.169 . 1 239 . 24 GLU H H 9.020 . 1 240 . 24 GLU HA H 3.958 . 1 241 . 24 GLU HB2 H 2.080 . 2 242 . 24 GLU HB3 H 2.049 . 2 243 . 24 GLU HG2 H 2.399 . 1 244 . 24 GLU HG3 H 2.399 . 1 245 . 24 GLU C C 179.997 . 1 246 . 24 GLU CA C 59.991 . 1 247 . 24 GLU CB C 29.159 . 1 248 . 24 GLU CG C 36.327 . 1 249 . 24 GLU N N 120.248 . 1 250 . 25 GLU H H 8.925 . 1 251 . 25 GLU HA H 4.106 . 1 252 . 25 GLU HB2 H 2.043 . 2 253 . 25 GLU HB3 H 1.952 . 2 254 . 25 GLU HG2 H 2.396 . 2 255 . 25 GLU HG3 H 2.302 . 2 256 . 25 GLU C C 180.177 . 1 257 . 25 GLU CA C 60.072 . 1 258 . 25 GLU CB C 29.181 . 1 259 . 25 GLU CG C 36.800 . 1 260 . 25 GLU N N 120.722 . 1 261 . 26 GLU H H 7.842 . 1 262 . 26 GLU HA H 4.070 . 1 263 . 26 GLU HB2 H 2.449 . 2 264 . 26 GLU HB3 H 1.727 . 2 265 . 26 GLU HG2 H 2.343 . 2 266 . 26 GLU HG3 H 2.055 . 2 267 . 26 GLU C C 179.118 . 1 268 . 26 GLU CA C 58.695 . 1 269 . 26 GLU CB C 30.552 . 1 270 . 26 GLU CG C 37.561 . 1 271 . 26 GLU N N 121.997 . 1 272 . 27 LYS H H 8.662 . 1 273 . 27 LYS HA H 3.959 . 1 274 . 27 LYS HB2 H 1.933 . 2 275 . 27 LYS HB3 H 1.897 . 2 276 . 27 LYS HG2 H 1.656 . 2 277 . 27 LYS HG3 H 1.375 . 2 278 . 27 LYS HD2 H 1.637 . 1 279 . 27 LYS HD3 H 1.637 . 1 280 . 27 LYS HE2 H 2.849 . 2 281 . 27 LYS HE3 H 2.780 . 2 282 . 27 LYS C C 179.764 . 1 283 . 27 LYS CA C 60.249 . 1 284 . 27 LYS CB C 32.602 . 1 285 . 27 LYS CG C 26.023 . 1 286 . 27 LYS CD C 29.838 . 1 287 . 27 LYS CE C 42.025 . 1 288 . 27 LYS N N 121.341 . 1 289 . 28 ALA H H 7.643 . 1 290 . 28 ALA HA H 4.215 . 1 291 . 28 ALA HB H 1.525 . 1 292 . 28 ALA C C 180.519 . 1 293 . 28 ALA CA C 55.043 . 1 294 . 28 ALA CB C 17.715 . 1 295 . 28 ALA N N 122.708 . 1 296 . 29 GLU H H 7.912 . 1 297 . 29 GLU HA H 3.958 . 1 298 . 29 GLU HB2 H 2.251 . 2 299 . 29 GLU HB3 H 2.035 . 2 300 . 29 GLU HG2 H 2.372 . 2 301 . 29 GLU HG3 H 2.025 . 2 302 . 29 GLU C C 178.152 . 1 303 . 29 GLU CA C 59.304 . 1 304 . 29 GLU CB C 29.504 . 1 305 . 29 GLU CG C 35.136 . 1 306 . 29 GLU N N 122.762 . 1 307 . 30 GLN H H 8.901 . 1 308 . 30 GLN HA H 3.797 . 1 309 . 30 GLN HB2 H 2.384 . 2 310 . 30 GLN HB3 H 2.084 . 2 311 . 30 GLN HG2 H 2.339 . 2 312 . 30 GLN HG3 H 2.179 . 2 313 . 30 GLN HE21 H 7.672 . 1 314 . 30 GLN HE22 H 6.153 . 1 315 . 30 GLN C C 177.801 . 1 316 . 30 GLN CA C 59.680 . 1 317 . 30 GLN CB C 29.431 . 1 318 . 30 GLN CG C 33.710 . 1 319 . 30 GLN N N 119.305 . 1 320 . 30 GLN NE2 N 108.468 . 1 321 . 31 GLN H H 7.872 . 1 322 . 31 GLN HA H 4.079 . 1 323 . 31 GLN HB2 H 2.197 . 2 324 . 31 GLN HB3 H 2.193 . 2 325 . 31 GLN HG2 H 2.486 . 1 326 . 31 GLN HG3 H 2.486 . 1 327 . 31 GLN C C 178.365 . 1 328 . 31 GLN CA C 58.903 . 1 329 . 31 GLN CB C 28.339 . 1 330 . 31 GLN CG C 33.658 . 1 331 . 31 GLN N N 118.003 . 1 332 . 32 LYS H H 7.737 . 1 333 . 32 LYS HA H 4.085 . 1 334 . 32 LYS HB2 H 1.993 . 2 335 . 32 LYS HB3 H 1.987 . 2 336 . 32 LYS HG2 H 1.586 . 2 337 . 32 LYS HG3 H 1.417 . 2 338 . 32 LYS HD2 H 1.687 . 1 339 . 32 LYS HD3 H 1.687 . 1 340 . 32 LYS HE2 H 2.963 . 1 341 . 32 LYS HE3 H 2.963 . 1 342 . 32 LYS C C 179.952 . 1 343 . 32 LYS CA C 59.646 . 1 344 . 32 LYS CB C 32.446 . 1 345 . 32 LYS CG C 25.084 . 1 346 . 32 LYS CD C 29.360 . 1 347 . 32 LYS CE C 42.162 . 1 348 . 32 LYS N N 120.855 . 1 349 . 33 LEU H H 8.628 . 1 350 . 33 LEU HA H 4.144 . 1 351 . 33 LEU HB2 H 1.907 . 2 352 . 33 LEU HB3 H 1.336 . 2 353 . 33 LEU HG H 1.892 . 1 354 . 33 LEU HD1 H 0.910 . 1 355 . 33 LEU HD2 H 0.950 . 1 356 . 33 LEU C C 179.429 . 1 357 . 33 LEU CA C 57.860 . 1 358 . 33 LEU CB C 42.595 . 1 359 . 33 LEU CG C 26.880 . 1 360 . 33 LEU CD1 C 26.606 . 1 361 . 33 LEU CD2 C 22.717 . 1 362 . 33 LEU N N 120.102 . 1 363 . 34 ARG H H 8.428 . 1 364 . 34 ARG HA H 3.997 . 1 365 . 34 ARG HB2 H 1.956 . 1 366 . 34 ARG HB3 H 1.956 . 1 367 . 34 ARG HG2 H 1.811 . 2 368 . 34 ARG HG3 H 1.592 . 2 369 . 34 ARG HD2 H 3.196 . 2 370 . 34 ARG HD3 H 3.145 . 2 371 . 34 ARG C C 178.612 . 1 372 . 34 ARG CA C 59.762 . 1 373 . 34 ARG CB C 29.878 . 1 374 . 34 ARG CG C 28.005 . 1 375 . 34 ARG CD C 43.485 . 1 376 . 34 ARG N N 119.213 . 1 377 . 35 GLN H H 7.859 . 1 378 . 35 GLN HA H 4.080 . 1 379 . 35 GLN HB2 H 2.267 . 2 380 . 35 GLN HB3 H 2.188 . 2 381 . 35 GLN HG2 H 2.557 . 2 382 . 35 GLN HG3 H 2.479 . 2 383 . 35 GLN C C 178.660 . 1 384 . 35 GLN CA C 58.834 . 1 385 . 35 GLN CB C 28.420 . 1 386 . 35 GLN CG C 34.104 . 1 387 . 35 GLN N N 117.428 . 1 388 . 36 GLU H H 7.954 . 1 389 . 36 GLU HA H 4.001 . 1 390 . 36 GLU HB2 H 2.177 . 2 391 . 36 GLU HB3 H 2.095 . 2 392 . 36 GLU HG2 H 2.443 . 2 393 . 36 GLU HG3 H 2.176 . 2 394 . 36 GLU C C 179.087 . 1 395 . 36 GLU CA C 59.463 . 1 396 . 36 GLU CB C 29.862 . 1 397 . 36 GLU CG C 36.486 . 1 398 . 36 GLU N N 119.701 . 1 399 . 37 TYR H H 8.617 . 1 400 . 37 TYR HA H 4.148 . 1 401 . 37 TYR HB2 H 3.245 . 2 402 . 37 TYR HB3 H 3.016 . 2 403 . 37 TYR HD1 H 7.026 . 1 404 . 37 TYR HD2 H 7.024 . 1 405 . 37 TYR HE1 H 6.768 . 1 406 . 37 TYR HE2 H 6.768 . 1 407 . 37 TYR C C 177.587 . 1 408 . 37 TYR CA C 60.699 . 1 409 . 37 TYR CB C 38.637 . 1 410 . 37 TYR CD1 C 132.846 . 1 411 . 37 TYR CD2 C 132.856 . 1 412 . 37 TYR CE1 C 118.310 . 1 413 . 37 TYR CE2 C 118.309 . 1 414 . 37 TYR N N 120.934 . 1 415 . 38 LEU H H 8.264 . 1 416 . 38 LEU HA H 4.050 . 1 417 . 38 LEU HB2 H 1.865 . 2 418 . 38 LEU HB3 H 1.576 . 2 419 . 38 LEU HG H 1.862 . 1 420 . 38 LEU HD1 H 0.912 . 1 421 . 38 LEU HD2 H 0.881 . 1 422 . 38 LEU C C 179.078 . 1 423 . 38 LEU CA C 57.120 . 1 424 . 38 LEU CB C 42.036 . 1 425 . 38 LEU CG C 26.990 . 1 426 . 38 LEU CD1 C 25.318 . 1 427 . 38 LEU CD2 C 22.968 . 1 428 . 38 LEU N N 119.196 . 1 429 . 39 LYS H H 7.812 . 1 430 . 39 LYS HA H 4.130 . 1 431 . 39 LYS HB2 H 1.886 . 1 432 . 39 LYS HB3 H 1.885 . 1 433 . 39 LYS HG2 H 1.556 . 2 434 . 39 LYS HG3 H 1.432 . 2 435 . 39 LYS HD2 H 1.673 . 1 436 . 39 LYS HD3 H 1.673 . 1 437 . 39 LYS HE2 H 2.961 . 1 438 . 39 LYS HE3 H 2.961 . 1 439 . 39 LYS C C 178.255 . 1 440 . 39 LYS CA C 58.273 . 1 441 . 39 LYS CB C 32.543 . 1 442 . 39 LYS CG C 25.140 . 1 443 . 39 LYS CD C 29.294 . 1 444 . 39 LYS CE C 42.191 . 1 445 . 39 LYS N N 118.888 . 1 446 . 40 GLY H H 7.871 . 1 447 . 40 GLY HA2 H 3.961 . 2 448 . 40 GLY HA3 H 3.757 . 2 449 . 40 GLY C C 174.429 . 1 450 . 40 GLY CA C 45.771 . 1 451 . 40 GLY N N 106.704 . 1 452 . 41 PHE H H 7.866 . 1 453 . 41 PHE HA H 4.415 . 1 454 . 41 PHE HB2 H 3.031 . 2 455 . 41 PHE HB3 H 2.873 . 2 456 . 41 PHE HD1 H 7.199 . 1 457 . 41 PHE HD2 H 7.199 . 1 458 . 41 PHE HE1 H 7.181 . 1 459 . 41 PHE HE2 H 7.180 . 1 460 . 41 PHE HZ H 7.258 . 1 461 . 41 PHE C C 176.128 . 1 462 . 41 PHE CA C 58.900 . 1 463 . 41 PHE CB C 39.475 . 1 464 . 41 PHE CD1 C 131.635 . 1 465 . 41 PHE CD2 C 131.605 . 1 466 . 41 PHE CE1 C 131.590 . 1 467 . 41 PHE CE2 C 131.527 . 1 468 . 41 PHE CZ C 129.680 . 1 469 . 41 PHE N N 120.496 . 1 470 . 42 ARG H H 8.043 . 1 471 . 42 ARG C C 176.577 . 1 472 . 42 ARG CB C 30.762 . 1 473 . 42 ARG CG C 27.226 . 1 474 . 42 ARG CD C 43.463 . 1 475 . 42 ARG N N 121.502 . 1 476 . 43 SER H H 8.204 . 1 477 . 43 SER N N 116.205 . 1 478 . 47 ASN HA H 4.737 . 1 479 . 47 ASN HB2 H 2.812 . 1 480 . 47 ASN HB3 H 2.812 . 1 481 . 47 ASN C C 175.477 . 1 482 . 47 ASN CA C 53.466 . 1 483 . 47 ASN CB C 38.855 . 1 484 . 48 THR H H 8.107 . 1 485 . 48 THR HA H 4.299 . 1 486 . 48 THR HB H 4.242 . 1 487 . 48 THR HG2 H 1.183 . 1 488 . 48 THR C C 174.645 . 1 489 . 48 THR CA C 62.147 . 1 490 . 48 THR CB C 69.712 . 1 491 . 48 THR CG2 C 21.742 . 1 492 . 48 THR N N 114.442 . 1 493 . 49 LEU H H 8.196 . 1 494 . 49 LEU HA H 4.335 . 1 495 . 49 LEU HB2 H 1.645 . 2 496 . 49 LEU HB3 H 1.575 . 2 497 . 49 LEU HG H 1.596 . 1 498 . 49 LEU HD1 H 0.892 . 1 499 . 49 LEU HD2 H 0.841 . 1 500 . 49 LEU C C 177.359 . 1 501 . 49 LEU CA C 55.515 . 1 502 . 49 LEU CB C 42.259 . 1 503 . 49 LEU CG C 27.020 . 1 504 . 49 LEU CD1 C 24.932 . 1 505 . 49 LEU CD2 C 23.553 . 1 506 . 49 LEU N N 124.165 . 1 507 . 50 LYS H H 8.247 . 1 508 . 50 LYS HA H 4.304 . 1 509 . 50 LYS HB2 H 1.820 . 2 510 . 50 LYS HB3 H 1.749 . 2 511 . 50 LYS HG2 H 1.423 . 2 512 . 50 LYS HG3 H 1.383 . 2 513 . 50 LYS HD2 H 1.651 . 1 514 . 50 LYS HD3 H 1.651 . 1 515 . 50 LYS HE2 H 2.966 . 1 516 . 50 LYS HE3 H 2.966 . 1 517 . 50 LYS C C 176.471 . 1 518 . 50 LYS CA C 56.396 . 1 519 . 50 LYS CB C 33.009 . 1 520 . 50 LYS CG C 24.802 . 1 521 . 50 LYS CD C 29.059 . 1 522 . 50 LYS CE C 42.184 . 1 523 . 50 LYS N N 121.915 . 1 524 . 51 SER H H 8.216 . 1 525 . 51 SER HA H 4.443 . 1 526 . 51 SER HB2 H 3.837 . 1 527 . 51 SER HB3 H 3.837 . 1 528 . 51 SER C C 174.372 . 1 529 . 51 SER CA C 58.234 . 1 530 . 51 SER CB C 63.843 . 1 531 . 51 SER N N 116.707 . 1 532 . 52 VAL H H 8.095 . 1 533 . 52 VAL HA H 4.132 . 1 534 . 52 VAL HB H 2.059 . 1 535 . 52 VAL HG1 H 0.890 . 1 536 . 52 VAL HG2 H 0.899 . 1 537 . 52 VAL C C 175.653 . 1 538 . 52 VAL CA C 62.175 . 1 539 . 52 VAL CB C 32.884 . 1 540 . 52 VAL CG1 C 21.161 . 1 541 . 52 VAL CG2 C 20.545 . 1 542 . 52 VAL N N 121.876 . 1 543 . 53 LYS H H 8.287 . 1 544 . 53 LYS HA H 4.337 . 1 545 . 53 LYS HB2 H 1.732 . 2 546 . 53 LYS HB3 H 1.692 . 2 547 . 53 LYS HG2 H 1.385 . 2 548 . 53 LYS HG3 H 1.320 . 2 549 . 53 LYS HD2 H 1.650 . 1 550 . 53 LYS HD3 H 1.650 . 1 551 . 53 LYS HE2 H 2.949 . 1 552 . 53 LYS HE3 H 2.949 . 1 553 . 53 LYS C C 175.977 . 1 554 . 53 LYS CA C 56.104 . 1 555 . 53 LYS CB C 33.249 . 1 556 . 53 LYS CG C 24.663 . 1 557 . 53 LYS CD C 29.124 . 1 558 . 53 LYS CE C 42.159 . 1 559 . 53 LYS N N 125.221 . 1 560 . 54 ILE H H 8.276 . 1 561 . 54 ILE HA H 4.131 . 1 562 . 54 ILE HB H 1.785 . 1 563 . 54 ILE HG12 H 1.427 . 2 564 . 54 ILE HG13 H 1.135 . 2 565 . 54 ILE HG2 H 0.824 . 1 566 . 54 ILE HD1 H 0.796 . 1 567 . 54 ILE C C 175.664 . 1 568 . 54 ILE CA C 60.813 . 1 569 . 54 ILE CB C 38.654 . 1 570 . 54 ILE CG1 C 27.208 . 1 571 . 54 ILE CG2 C 17.536 . 1 572 . 54 ILE CD1 C 12.675 . 1 573 . 54 ILE N N 124.065 . 1 574 . 55 ILE H H 8.202 . 1 575 . 55 ILE HA H 4.238 . 1 576 . 55 ILE HB H 1.776 . 1 577 . 55 ILE HG12 H 1.413 . 2 578 . 55 ILE HG13 H 1.128 . 2 579 . 55 ILE HG2 H 0.827 . 1 580 . 55 ILE HD1 H 0.796 . 1 581 . 55 ILE C C 175.528 . 1 582 . 55 ILE CA C 60.372 . 1 583 . 55 ILE CB C 38.887 . 1 584 . 55 ILE CG1 C 27.170 . 1 585 . 55 ILE CG2 C 17.534 . 1 586 . 55 ILE CD1 C 12.678 . 1 587 . 55 ILE N N 125.467 . 1 588 . 56 ASP H H 8.512 . 1 589 . 56 ASP HA H 4.833 . 1 590 . 56 ASP HB2 H 2.715 . 2 591 . 56 ASP HB3 H 2.612 . 2 592 . 56 ASP C C 174.945 . 1 593 . 56 ASP CA C 52.337 . 1 594 . 56 ASP CB C 41.125 . 1 595 . 56 ASP N N 126.262 . 1 596 . 57 PRO HA H 4.348 . 1 597 . 57 PRO HB2 H 2.279 . 2 598 . 57 PRO HB3 H 1.938 . 2 599 . 57 PRO HD2 H 3.821 . 2 600 . 57 PRO HD3 H 3.791 . 2 601 . 57 PRO HG2 H 1.996 . 1 602 . 57 PRO HG3 H 1.996 . 1 603 . 57 PRO C C 177.327 . 1 604 . 57 PRO CA C 63.983 . 1 605 . 57 PRO CB C 32.163 . 1 606 . 57 PRO CG C 27.440 . 1 607 . 57 PRO CD C 50.933 . 1 608 . 58 GLU H H 8.360 . 1 609 . 58 GLU HA H 4.268 . 1 610 . 58 GLU HB2 H 2.094 . 2 611 . 58 GLU HB3 H 1.938 . 2 612 . 58 GLU HG2 H 2.232 . 1 613 . 58 GLU HG3 H 2.231 . 1 614 . 58 GLU C C 177.078 . 1 615 . 58 GLU CA C 56.604 . 1 616 . 58 GLU CB C 30.128 . 1 617 . 58 GLU CG C 36.641 . 1 618 . 58 GLU N N 118.772 . 1 619 . 59 GLY H H 8.198 . 1 620 . 59 GLY HA2 H 3.925 . 2 621 . 59 GLY HA3 H 3.898 . 2 622 . 59 GLY C C 174.151 . 1 623 . 59 GLY CA C 45.603 . 1 624 . 59 GLY N N 108.779 . 1 625 . 60 ASN H H 8.371 . 1 626 . 60 ASN HA H 4.701 . 1 627 . 60 ASN HB2 H 2.742 . 1 628 . 60 ASN HB3 H 2.742 . 1 629 . 60 ASN C C 174.852 . 1 630 . 60 ASN CA C 53.342 . 1 631 . 60 ASN CB C 39.264 . 1 632 . 60 ASN N N 118.785 . 1 633 . 60 ASN ND2 N 114.00 . 1 634 . 60 ASN HD21 H 7.740 . 1 635 . 60 ASN HD22 H 6.942 . 1 636 . 61 ASP H H 8.497 . 1 637 . 61 ASP HA H 4.625 . 1 638 . 61 ASP HB2 H 2.695 . 2 639 . 61 ASP HB3 H 2.585 . 2 640 . 61 ASP C C 176.205 . 1 641 . 61 ASP CA C 54.464 . 1 642 . 61 ASP CB C 41.033 . 1 643 . 61 ASP N N 120.744 . 1 644 . 62 VAL H H 8.152 . 1 645 . 62 VAL HA H 4.187 . 1 646 . 62 VAL HB H 2.112 . 1 647 . 62 VAL HG1 H 0.881 . 1 648 . 62 VAL HG2 H 0.887 . 1 649 . 62 VAL C C 176.036 . 1 650 . 62 VAL CA C 62.008 . 1 651 . 62 VAL CB C 32.472 . 1 652 . 62 VAL CG1 C 21.322 . 1 653 . 62 VAL CG2 C 20.361 . 1 654 . 62 VAL N N 120.268 . 1 655 . 63 THR H H 8.112 . 1 656 . 63 THR HA H 4.529 . 1 657 . 63 THR HB H 4.249 . 1 658 . 63 THR HG2 H 1.246 . 1 659 . 63 THR C C 173.122 . 1 660 . 63 THR CA C 60.430 . 1 661 . 63 THR CB C 69.420 . 1 662 . 63 THR CG2 C 21.757 . 1 663 . 63 THR N N 119.885 . 1 664 . 64 PRO HA H 4.332 . 1 665 . 64 PRO HB2 H 2.333 . 2 666 . 64 PRO HB3 H 1.905 . 2 667 . 64 PRO HG2 H 2.075 . 2 668 . 64 PRO HG3 H 2.000 . 2 669 . 64 PRO HD2 H 3.877 . 2 670 . 64 PRO HD3 H 3.743 . 2 671 . 64 PRO C C 177.770 . 1 672 . 64 PRO CA C 64.125 . 1 673 . 64 PRO CB C 32.118 . 1 674 . 64 PRO CG C 27.642 . 1 675 . 64 PRO CD C 51.021 . 1 676 . 65 GLU H H 8.532 . 1 677 . 65 GLU HA H 4.078 . 1 678 . 65 GLU HB2 H 1.989 . 1 679 . 65 GLU HB3 H 1.987 . 1 680 . 65 GLU HG2 H 2.278 . 1 681 . 65 GLU HG3 H 2.278 . 1 682 . 65 GLU C C 177.505 . 1 683 . 65 GLU CA C 58.128 . 1 684 . 65 GLU CB C 29.710 . 1 685 . 65 GLU CG C 36.317 . 1 686 . 65 GLU N N 120.003 . 1 687 . 66 LYS H H 8.153 . 1 688 . 66 LYS HA H 4.135 . 1 689 . 66 LYS HB2 H 1.820 . 1 690 . 66 LYS HB3 H 1.821 . 1 691 . 66 LYS C C 177.372 . 1 692 . 66 LYS CA C 57.660 . 1 693 . 66 LYS CB C 32.818 . 1 694 . 66 LYS CG C 25.019 . 1 695 . 66 LYS CD C 29.347 . 1 696 . 66 LYS CE C 42.221 . 1 697 . 66 LYS N N 120.951 . 1 698 . 67 LEU H H 7.914 . 1 699 . 67 LEU HA H 4.228 . 1 700 . 67 LEU HB2 H 1.647 . 2 701 . 67 LEU HB3 H 1.553 . 2 702 . 67 LEU C C 178.066 . 1 703 . 67 LEU CA C 55.956 . 1 704 . 67 LEU CB C 42.187 . 1 705 . 67 LEU CG C 27.008 . 1 706 . 67 LEU CD1 C 24.858 . 1 707 . 67 LEU CD2 C 23.468 . 1 708 . 67 LEU N N 120.837 . 1 709 . 68 LYS H H 8.065 . 1 710 . 68 LYS HA H 4.177 . 1 711 . 68 LYS HB2 H 1.807 . 1 712 . 68 LYS HB3 H 1.807 . 1 713 . 68 LYS C C 177.486 . 1 714 . 68 LYS CA C 57.385 . 1 715 . 68 LYS CB C 32.765 . 1 716 . 68 LYS CG C 24.983 . 1 717 . 68 LYS CD C 29.187 . 1 718 . 68 LYS CE C 42.062 . 1 719 . 68 LYS N N 120.978 . 1 720 . 69 ARG H H 8.163 . 1 721 . 69 ARG HA H 4.194 . 1 722 . 69 ARG HB2 H 1.841 . 1 723 . 69 ARG HB3 H 1.841 . 1 724 . 69 ARG C C 177.021 . 1 725 . 69 ARG CA C 57.168 . 1 726 . 69 ARG CB C 30.674 . 1 727 . 69 ARG CG C 27.248 . 1 728 . 69 ARG CD C 43.487 . 1 729 . 69 ARG N N 121.118 . 1 730 . 70 GLU H H 8.321 . 1 731 . 70 GLU HA H 4.216 . 1 732 . 70 GLU HB2 H 2.042 . 2 733 . 70 GLU HB3 H 1.981 . 2 734 . 70 GLU HG2 H 2.297 . 2 735 . 70 GLU HG3 H 2.231 . 2 736 . 70 GLU C C 177.024 . 1 737 . 70 GLU CA C 57.250 . 1 738 . 70 GLU CB C 30.116 . 1 739 . 70 GLU CG C 36.409 . 1 740 . 70 GLU N N 120.849 . 1 741 . 71 GLN H H 8.294 . 1 742 . 71 GLN HA H 4.271 . 1 743 . 71 GLN HB2 H 2.088 . 2 744 . 71 GLN HB3 H 2.028 . 2 745 . 71 GLN HG2 H 2.367 . 1 746 . 71 GLN HG3 H 2.367 . 1 747 . 71 GLN C C 176.555 . 1 748 . 71 GLN CA C 56.438 . 1 749 . 71 GLN CB C 29.244 . 1 750 . 71 GLN CG C 33.977 . 1 751 . 71 GLN N N 120.802 . 1 752 . 72 ARG H H 8.255 . 1 753 . 72 ARG HA H 4.255 . 1 754 . 72 ARG HB2 H 1.824 . 2 755 . 72 ARG HB3 H 1.768 . 2 756 . 72 ARG C C 176.412 . 1 757 . 72 ARG CA C 56.761 . 1 758 . 72 ARG CB C 30.699 . 1 759 . 72 ARG CG C 27.192 . 1 760 . 72 ARG CD C 43.412 . 1 761 . 72 ARG N N 121.374 . 1 762 . 73 ASN H H 8.408 . 1 763 . 73 ASN HA H 4.664 . 1 764 . 73 ASN C C 175.326 . 1 765 . 73 ASN CA C 53.535 . 1 766 . 73 ASN CB C 38.683 . 1 767 . 73 ASN N N 119.159 . 1 768 . 74 ASN H H 8.345 . 1 769 . 74 ASN HA H 4.647 . 1 770 . 74 ASN C C 175.381 . 1 771 . 74 ASN CA C 53.672 . 1 772 . 74 ASN CB C 38.640 . 1 773 . 74 ASN N N 119.584 . 1 774 . 75 LYS H H 8.207 . 1 775 . 75 LYS HA H 4.238 . 1 776 . 75 LYS HB2 H 1.815 . 2 777 . 75 LYS HB3 H 1.758 . 2 778 . 75 LYS C C 176.757 . 1 779 . 75 LYS CA C 56.819 . 1 780 . 75 LYS CB C 32.747 . 1 781 . 75 LYS CG C 24.853 . 1 782 . 75 LYS CD C 29.105 . 1 783 . 75 LYS CE C 42.177 . 1 784 . 75 LYS N N 120.827 . 1 785 . 76 LEU H H 8.037 . 1 786 . 76 LEU HA H 4.214 . 1 787 . 76 LEU HB2 H 1.572 . 2 788 . 76 LEU HB3 H 1.445 . 2 789 . 76 LEU C C 177.265 . 1 790 . 76 LEU CA C 55.578 . 1 791 . 76 LEU CB C 42.302 . 1 792 . 76 LEU CG C 26.918 . 1 793 . 76 LEU CD1 C 24.804 . 2 794 . 76 LEU CD2 C 23.373 . 2 795 . 76 LEU N N 121.524 . 1 796 . 77 HIS H H 8.262 . 1 797 . 77 HIS HA H 4.569 . 1 798 . 77 HIS C C 175.140 . 1 799 . 77 HIS CA C 56.227 . 1 800 . 77 HIS CB C 30.081 . 1 801 . 77 HIS N N 119.503 . 1 802 . 78 LEU H H 8.051 . 1 803 . 78 LEU HA H 4.249 . 1 804 . 78 LEU HB2 H 1.539 . 2 805 . 78 LEU HB3 H 1.446 . 2 806 . 78 LEU C C 177.301 . 1 807 . 78 LEU CA C 55.294 . 1 808 . 78 LEU CB C 42.386 . 1 809 . 78 LEU CG C 26.834 . 1 810 . 78 LEU CD1 C 25.046 . 2 811 . 78 LEU CD2 C 23.304 . 2 812 . 78 LEU N N 122.967 . 1 813 . 79 GLU H H 8.370 . 1 814 . 79 GLU HA H 4.156 . 1 815 . 79 GLU HB2 H 1.893 . 2 816 . 79 GLU HB3 H 1.852 . 2 817 . 79 GLU HG2 H 2.201 . 2 818 . 79 GLU HG3 H 2.126 . 2 819 . 79 GLU C C 176.293 . 1 820 . 79 GLU CA C 56.672 . 1 821 . 79 GLU CB C 30.244 . 1 822 . 79 GLU CG C 36.19 . 1 823 . 79 GLU N N 121.025 . 1 824 . 80 HIS H H 8.245 . 1 825 . 80 HIS HA H 4.578 . 1 826 . 80 HIS CA C 56.255 . 1 827 . 80 HIS CB C 30.448 . 1 828 . 80 HIS N N 119.746 . 1 829 . 81 HIS H H 8.079 . 1 830 . 81 HIS N N 125.425 . 1 stop_ save_