data_15660 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the arenaviral protein Z from Lassa fever virus ; _BMRB_accession_number 15660 _BMRB_flat_file_name bmr15660.str _Entry_type original _Submission_date 2008-02-15 _Accession_date 2008-02-15 _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 Volpon Laurent . . 2 Osborne Michael J. . 3 Borden Katherine L.B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 426 "13C chemical shifts" 351 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-13 update author 'update related PDB entry' 2010-04-09 update author 'update citation' 2010-01-27 update author 'update chemical shifts' 2009-08-13 update BMRB 'added PubMed ID' 2008-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of the Z RING-eIF4E complex reveals a distinct mode of control for eIF4E' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20212144 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volpon Laurent . . 2 Osborne Michael J. . 3 Capul Althea A. . 4 'de la Torre' Juan C. . 5 Borden Katherine L.B. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 107 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5441 _Page_last 5446 _Year 2010 _Details . loop_ _Keyword LFV-Z 'RING domain' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_entry_citation_2 _Saveframe_category citation _Citation_full . _Citation_title 'NMR assignment of the arenaviral protein Z from Lassa fever virus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18958179 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volpon Laurent . . 2 Osborne Michael J. . 3 Borden Katherine L.B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full . _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 81 _Page_last 84 _Year 2008 _Details . loop_ _Keyword LFV-Z 'RING domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LFV-Z _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LFV-Z $LFV-Z ZN $ZN stop_ _System_molecular_weight 11458 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LFV-Z _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LFV-Z _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; MGNKQAKAPESKDSPRASLI PDATHLGPQFCKSCWFENKG LVECNNHYLCLNCLTLLLSV SNRCPICKMPLPTKLRPSAA PTAPPTGAADSIRPPPYSP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASN 4 LYS 5 GLN 6 ALA 7 LYS 8 ALA 9 PRO 10 GLU 11 SER 12 LYS 13 ASP 14 SER 15 PRO 16 ARG 17 ALA 18 SER 19 LEU 20 ILE 21 PRO 22 ASP 23 ALA 24 THR 25 HIS 26 LEU 27 GLY 28 PRO 29 GLN 30 PHE 31 CYS 32 LYS 33 SER 34 CYS 35 TRP 36 PHE 37 GLU 38 ASN 39 LYS 40 GLY 41 LEU 42 VAL 43 GLU 44 CYS 45 ASN 46 ASN 47 HIS 48 TYR 49 LEU 50 CYS 51 LEU 52 ASN 53 CYS 54 LEU 55 THR 56 LEU 57 LEU 58 LEU 59 SER 60 VAL 61 SER 62 ASN 63 ARG 64 CYS 65 PRO 66 ILE 67 CYS 68 LYS 69 MET 70 PRO 71 LEU 72 PRO 73 THR 74 LYS 75 LEU 76 ARG 77 PRO 78 SER 79 ALA 80 ALA 81 PRO 82 THR 83 ALA 84 PRO 85 PRO 86 THR 87 GLY 88 ALA 89 ALA 90 ASP 91 SER 92 ILE 93 ARG 94 PRO 95 PRO 96 PRO 97 TYR 98 SER 99 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M1S "Nmr Assignment Of The Arenaviral Protein Z From Lassa Fever Virus" 100.00 99 100.00 100.00 3.70e-64 GB AAC05816 "Z protein [Lassa mammarenavirus]" 100.00 99 100.00 100.00 3.70e-64 GB AAC05818 "ring-finger protein [Lassa mammarenavirus]" 100.00 99 100.00 100.00 3.70e-64 GB AAT49001 "Z protein [Lassa mammarenavirus]" 100.00 99 100.00 100.00 3.70e-64 GB ADY11072 "Z protein [Lassa mammarenavirus]" 100.00 99 100.00 100.00 3.70e-64 GB ADY11074 "Z protein [Lassa mammarenavirus]" 100.00 99 100.00 100.00 3.70e-64 REF NP_694871 "Z protein [Lassa mammarenavirus]" 100.00 99 100.00 100.00 3.70e-64 SP O73557 "RecName: Full=RING finger protein Z; Short=Protein Z; AltName: Full=Zinc-binding protein" 100.00 99 100.00 100.00 3.70e-64 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 Tue Aug 21 03:50:37 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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 $LFV-Z 'Arenaviru Lassa virus' 11620 Viruses . Arenavirus 'Lassa virus' 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 $LFV-Z 'recombinant technology' . Escherichia coli 'BL21 DE3' pGEX-6p1 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 $LFV-Z 0.2 mM '[U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' 'zinc sulfate' 0.05 mM 'natural abundance' TCEP 0.05 mM 'natural abundance' D2O 7 % . H2O 93 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LFV-Z 0.2 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' 'zinc sulfate' 0.05 mM 'natural abundance' TCEP 0.05 mM 'natural abundance' D2O 7 % . H2O 93 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LFV-Z 0.2 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' 'zinc sulfate' 0.05 mM 'natural abundance' TCEP 0.05 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCD)HD_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_2 save_ save_2D_(HB)CB(CGCDCE)HE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_2 save_ save_3D_C(CO)NH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 7.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 DSS H 1 protons ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNCO' '3D HBHA(CO)NH' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '3D C(CO)NH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LFV-Z _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 GLY HA2 H 4.01 0.03 2 2 2 2 GLY HA3 H 4.04 0.03 2 3 2 2 GLY C C 174.4 0.3 1 4 2 2 GLY CA C 45.15 0.3 1 5 3 3 ASN H H 8.16 0.03 1 6 3 3 ASN CA C 53.87 0.3 1 7 3 3 ASN CB C 40.77 0.3 1 8 3 3 ASN N N 117.6 0.2 1 9 6 6 ALA HA H 4.31 0.03 1 10 6 6 ALA HB H 1.39 0.03 1 11 6 6 ALA C C 177.9 0.3 1 12 6 6 ALA CA C 52.3 0.3 1 13 6 6 ALA CB C 19.45 0.3 1 14 7 7 LYS H H 8.32 0.03 1 15 7 7 LYS HA H 4.3 0.03 1 16 7 7 LYS HB2 H 1.79 0.03 2 17 7 7 LYS HB3 H 1.76 0.03 2 18 7 7 LYS HD2 H 1.71 0.03 2 19 7 7 LYS HE2 H 3.03 0.03 2 20 7 7 LYS HG2 H 1.46 0.03 2 21 7 7 LYS C C 176.4 0.3 1 22 7 7 LYS CA C 55.88 0.3 1 23 7 7 LYS CB C 33.35 0.3 1 24 7 7 LYS CD C 29.13 0.3 1 25 7 7 LYS CE C 42.2 0.3 1 26 7 7 LYS CG C 24.64 0.3 1 27 7 7 LYS N N 119.8 0.2 1 28 8 8 ALA H H 8.44 0.03 1 29 8 8 ALA N N 126.9 0.2 1 30 12 12 LYS HA H 4.36 0.03 1 31 12 12 LYS HB2 H 1.84 0.03 2 32 12 12 LYS HB3 H 1.8 0.03 2 33 12 12 LYS C C 176.8 0.3 1 34 12 12 LYS CA C 56.54 0.3 1 35 12 12 LYS CB C 32.74 0.3 1 36 12 12 LYS CD C 29.05 0.3 1 37 12 12 LYS CE C 42.17 0.3 1 38 12 12 LYS CG C 24.63 0.3 1 39 13 13 ASP H H 8.33 0.03 1 40 13 13 ASP HA H 4.65 0.03 1 41 13 13 ASP HB2 H 2.69 0.03 2 42 13 13 ASP HB3 H 2.6 0.03 2 43 13 13 ASP C C 176.4 0.3 1 44 13 13 ASP CA C 54.29 0.3 1 45 13 13 ASP CB C 41.28 0.3 1 46 13 13 ASP N N 119.3 0.2 1 47 14 14 SER H H 8.17 0.03 1 48 14 14 SER CA C 56.37 0.3 1 49 14 14 SER CB C 63.35 0.3 1 50 14 14 SER N N 115.8 0.2 1 51 15 15 PRO HA H 4.43 0.03 1 52 15 15 PRO HB2 H 2.35 0.03 2 53 15 15 PRO HB3 H 1.92 0.03 2 54 15 15 PRO C C 177.6 0.3 1 55 15 15 PRO CA C 63.25 0.3 1 56 15 15 PRO CB C 32.15 0.3 1 57 15 15 PRO CD C 50.87 0.3 1 58 15 15 PRO CG C 27.43 0.3 1 59 16 16 ARG H H 8.43 0.03 1 60 16 16 ARG HA H 4.3 0.03 1 61 16 16 ARG HB2 H 1.85 0.03 2 62 16 16 ARG HB3 H 1.76 0.03 2 63 16 16 ARG HD2 H 3.22 0.03 2 64 16 16 ARG HG2 H 1.7 0.03 2 65 16 16 ARG C C 176.7 0.3 1 66 16 16 ARG CA C 56.05 0.3 1 67 16 16 ARG CB C 30.87 0.3 1 68 16 16 ARG CD C 43.36 0.3 1 69 16 16 ARG CG C 27.05 0.3 1 70 16 16 ARG N N 119.9 0.2 1 71 17 17 ALA H H 8.35 0.03 1 72 17 17 ALA HA H 4.34 0.03 1 73 17 17 ALA HB H 1.41 0.03 1 74 17 17 ALA C C 177.1 0.3 1 75 17 17 ALA CA C 52.5 0.3 1 76 17 17 ALA CB C 19.28 0.3 1 77 17 17 ALA N N 123.8 0.2 1 78 18 18 SER H H 7.96 0.03 1 79 18 18 SER HA H 4.43 0.03 1 80 18 18 SER HB2 H 3.92 0.03 2 81 18 18 SER HB3 H 3.86 0.03 2 82 18 18 SER C C 174.8 0.3 1 83 18 18 SER CA C 58.08 0.3 1 84 18 18 SER CB C 63.91 0.3 1 85 18 18 SER N N 124.7 0.2 1 86 19 19 LEU H H 8.26 0.03 1 87 19 19 LEU HA H 4.36 0.03 1 88 19 19 LEU HB2 H 1.61 0.03 2 89 19 19 LEU HD1 H 0.88 0.03 2 90 19 19 LEU HD2 H 0.95 0.03 2 91 19 19 LEU C C 177.4 0.3 1 92 19 19 LEU CA C 55.11 0.3 1 93 19 19 LEU CB C 42.41 0.3 1 94 19 19 LEU CD1 C 23.47 0.3 2 95 19 19 LEU CD2 C 24.94 0.3 2 96 19 19 LEU CG C 27.03 0.3 1 97 19 19 LEU N N 122.8 0.2 1 98 20 20 ILE H H 8.16 0.03 1 99 20 20 ILE HA H 4.46 0.03 1 100 20 20 ILE HB H 1.88 0.03 1 101 20 20 ILE HD1 H 0.87 0.03 1 102 20 20 ILE HG12 H 1.51 0.03 2 103 20 20 ILE HG13 H 1.18 0.03 2 104 20 20 ILE HG2 H 0.96 0.03 1 105 20 20 ILE CA C 58.35 0.3 1 106 20 20 ILE CB C 38.45 0.3 1 107 20 20 ILE CD1 C 12.66 0.3 1 108 20 20 ILE CG1 C 27.02 0.3 1 109 20 20 ILE CG2 C 17.14 0.3 1 110 20 20 ILE N N 121.9 0.2 1 111 21 21 PRO HA H 4.36 0.03 1 112 21 21 PRO HB2 H 2.25 0.03 2 113 21 21 PRO HB3 H 1.88 0.03 2 114 21 21 PRO C C 177 0.3 1 115 21 21 PRO CA C 63.29 0.3 1 116 21 21 PRO CB C 32.19 0.3 1 117 21 21 PRO CD C 51.13 0.3 1 118 21 21 PRO CG C 27.28 0.3 1 119 22 22 ASP H H 8.37 0.03 1 120 22 22 ASP HA H 4.55 0.03 1 121 22 22 ASP HB2 H 2.69 0.03 2 122 22 22 ASP HB3 H 2.66 0.03 2 123 22 22 ASP C C 176.7 0.3 1 124 22 22 ASP CA C 54.32 0.3 1 125 22 22 ASP CB C 41.32 0.3 1 126 22 22 ASP N N 119.5 0.2 1 127 23 23 ALA H H 8.4 0.03 1 128 23 23 ALA HA H 4.39 0.03 1 129 23 23 ALA HB H 1.39 0.03 1 130 23 23 ALA C C 178.9 0.3 1 131 23 23 ALA CA C 52.53 0.3 1 132 23 23 ALA CB C 19.4 0.3 1 133 23 23 ALA N N 123.6 0.2 1 134 24 24 THR H H 8.36 0.03 1 135 24 24 THR HA H 4.24 0.03 1 136 24 24 THR HB H 4.22 0.03 1 137 24 24 THR HG2 H 1.17 0.03 1 138 24 24 THR CA C 62.79 0.3 1 139 24 24 THR CB C 69.65 0.3 1 140 24 24 THR CG2 C 21.75 0.3 1 141 24 24 THR N N 112.3 0.2 1 142 25 25 HIS HA H 4.6 0.03 1 143 25 25 HIS HB2 H 3.12 0.03 2 144 25 25 HIS HB3 H 3.14 0.03 2 145 25 25 HIS HD2 H 6.98 0.03 1 146 25 25 HIS HE1 H 7.79 0.03 1 147 25 25 HIS C C 175.9 0.3 1 148 25 25 HIS CA C 57.02 0.3 1 149 25 25 HIS CB C 30.45 0.3 1 150 25 25 HIS CD2 C 118.6 0.3 1 151 25 25 HIS CE1 C 137.2 0.3 1 152 25 25 HIS ND1 N 223.3 0.2 1 153 25 25 HIS NE2 N 176.4 0.2 1 154 26 26 LEU H H 7.86 0.03 1 155 26 26 LEU HA H 4.1 0.03 1 156 26 26 LEU HB2 H 1.39 0.03 2 157 26 26 LEU HB3 H 1.14 0.03 2 158 26 26 LEU HD1 H 0.53 0.03 2 159 26 26 LEU HD2 H 0.48 0.03 2 160 26 26 LEU HG H 1.06 0.03 1 161 26 26 LEU C C 177.6 0.3 1 162 26 26 LEU CA C 55.03 0.3 1 163 26 26 LEU CB C 42.12 0.3 1 164 26 26 LEU CD1 C 24.88 0.3 2 165 26 26 LEU CD2 C 23.1 0.3 2 166 26 26 LEU CG C 26.82 0.3 1 167 26 26 LEU N N 121.2 0.2 1 168 27 27 GLY H H 7.83 0.03 1 169 27 27 GLY HA2 H 4.27 0.03 2 170 27 27 GLY HA3 H 3.99 0.03 2 171 27 27 GLY CA C 44.59 0.3 1 172 27 27 GLY N N 106.1 0.2 1 173 28 28 PRO HA H 4.43 0.03 1 174 28 28 PRO HB2 H 2.41 0.03 2 175 28 28 PRO HD2 H 3.74 0.03 2 176 28 28 PRO HG2 H 2.18 0.03 2 177 28 28 PRO HG3 H 2.14 0.03 2 178 28 28 PRO C C 177.7 0.3 1 179 28 28 PRO CA C 63.2 0.3 1 180 28 28 PRO CB C 32.34 0.3 1 181 28 28 PRO CD C 49.88 0.3 1 182 28 28 PRO CG C 27.55 0.3 1 183 29 29 GLN H H 8.45 0.03 1 184 29 29 GLN HA H 3.9 0.03 1 185 29 29 GLN HB2 H 1.64 0.03 2 186 29 29 GLN HB3 H 1.47 0.03 2 187 29 29 GLN HE21 H 7.17 0.03 2 188 29 29 GLN HE22 H 6.75 0.03 2 189 29 29 GLN HG2 H 2.07 0.03 2 190 29 29 GLN HG3 H 1.91 0.03 2 191 29 29 GLN C C 173.8 0.3 1 192 29 29 GLN CA C 55.27 0.3 1 193 29 29 GLN CB C 27.72 0.3 1 194 29 29 GLN CG C 33.68 0.3 1 195 29 29 GLN N N 120.2 0.2 1 196 29 29 GLN NE2 N 110.8 0.2 1 197 30 30 PHE H H 7.52 0.03 1 198 30 30 PHE HA H 4.71 0.03 1 199 30 30 PHE HB2 H 2.86 0.03 2 200 30 30 PHE HB3 H 2.53 0.03 2 201 30 30 PHE HD1 H 6.84 0.03 3 202 30 30 PHE HE1 H 7.01 0.03 3 203 30 30 PHE C C 173.9 0.3 1 204 30 30 PHE CA C 56.12 0.3 1 205 30 30 PHE CB C 42.09 0.3 1 206 30 30 PHE CD1 C 131.5 0.3 3 207 30 30 PHE CE1 C 129.8 0.3 3 208 30 30 PHE N N 117.9 0.2 1 209 31 31 CYS H H 8.39 0.03 1 210 31 31 CYS HA H 3.81 0.03 1 211 31 31 CYS HB2 H 3.53 0.03 2 212 31 31 CYS HB3 H 2.63 0.03 2 213 31 31 CYS C C 176.5 0.3 1 214 31 31 CYS CA C 59.77 0.3 1 215 31 31 CYS CB C 31.83 0.3 1 216 31 31 CYS N N 121.5 0.2 1 217 32 32 LYS H H 7.91 0.03 1 218 32 32 LYS HA H 3.79 0.03 1 219 32 32 LYS HB2 H 2.24 0.03 2 220 32 32 LYS HB3 H 1.67 0.03 2 221 32 32 LYS HD2 H 1.48 0.03 2 222 32 32 LYS HE2 H 3.06 0.03 2 223 32 32 LYS HE3 H 3.03 0.03 2 224 32 32 LYS HG2 H 1.54 0.03 2 225 32 32 LYS C C 175.1 0.3 1 226 32 32 LYS CA C 56.92 0.3 1 227 32 32 LYS CB C 33.79 0.3 1 228 32 32 LYS CD C 29.69 0.3 1 229 32 32 LYS CE C 42.34 0.3 1 230 32 32 LYS CG C 27.36 0.3 1 231 32 32 LYS N N 129.2 0.2 1 232 33 33 SER H H 8.88 0.03 1 233 33 33 SER HA H 4.55 0.03 1 234 33 33 SER HB2 H 3.48 0.03 2 235 33 33 SER HB3 H 3.46 0.03 2 236 33 33 SER C C 175.6 0.3 1 237 33 33 SER CA C 59.71 0.3 1 238 33 33 SER CB C 61.68 0.3 1 239 33 33 SER N N 112.2 0.2 1 240 34 34 CYS H H 8.46 0.03 1 241 34 34 CYS HA H 4.86 0.03 1 242 34 34 CYS HB2 H 3.31 0.03 2 243 34 34 CYS HB3 H 2.64 0.03 2 244 34 34 CYS C C 177.3 0.3 1 245 34 34 CYS CA C 58.92 0.3 1 246 34 34 CYS CB C 32.5 0.3 1 247 34 34 CYS N N 116.7 0.2 1 248 35 35 TRP H H 7.97 0.03 1 249 35 35 TRP HA H 4.47 0.03 1 250 35 35 TRP HB2 H 3.32 0.03 2 251 35 35 TRP HB3 H 3.27 0.03 2 252 35 35 TRP HD1 H 6.86 0.03 1 253 35 35 TRP HE1 H 9.69 0.03 1 254 35 35 TRP HE3 H 7.4 0.03 1 255 35 35 TRP HH2 H 7.22 0.03 1 256 35 35 TRP HZ2 H 7.48 0.03 1 257 35 35 TRP HZ3 H 7.18 0.03 1 258 35 35 TRP C C 177.1 0.3 1 259 35 35 TRP CA C 61.04 0.3 1 260 35 35 TRP CB C 27.02 0.3 1 261 35 35 TRP CD1 C 125.7 0.3 1 262 35 35 TRP CE3 C 119.9 0.3 1 263 35 35 TRP CH2 C 123.4 0.3 1 264 35 35 TRP CZ2 C 113.8 0.3 1 265 35 35 TRP CZ3 C 128.6 0.3 1 266 35 35 TRP N N 120.7 0.2 1 267 35 35 TRP NE1 N 127.6 0.2 1 268 36 36 PHE H H 8.44 0.03 1 269 36 36 PHE HA H 4.73 0.03 1 270 36 36 PHE HB2 H 3.29 0.03 2 271 36 36 PHE HB3 H 3.23 0.03 2 272 36 36 PHE HD1 H 7.39 0.03 3 273 36 36 PHE HE1 H 7.45 0.03 3 274 36 36 PHE C C 176.7 0.3 1 275 36 36 PHE CA C 58.91 0.3 1 276 36 36 PHE CB C 40.86 0.3 1 277 36 36 PHE CD1 C 131.1 0.3 3 278 36 36 PHE CE1 C 130.9 0.3 3 279 36 36 PHE N N 116.6 0.2 1 280 37 37 GLU H H 7.51 0.03 1 281 37 37 GLU HA H 4.37 0.03 1 282 37 37 GLU HB2 H 1.99 0.03 2 283 37 37 GLU HB3 H 1.93 0.03 2 284 37 37 GLU HG2 H 2.57 0.03 2 285 37 37 GLU HG3 H 2.56 0.03 2 286 37 37 GLU C C 175.5 0.3 1 287 37 37 GLU CA C 56.82 0.3 1 288 37 37 GLU CB C 31.98 0.3 1 289 37 37 GLU CG C 37.07 0.3 1 290 37 37 GLU N N 120.6 0.2 1 291 38 38 ASN H H 8.34 0.03 1 292 38 38 ASN HA H 4.71 0.03 1 293 38 38 ASN HB2 H 3.02 0.03 2 294 38 38 ASN HB3 H 2.51 0.03 2 295 38 38 ASN HD21 H 7.34 0.03 2 296 38 38 ASN HD22 H 6.83 0.03 2 297 38 38 ASN C C 174.6 0.3 1 298 38 38 ASN CA C 52.47 0.3 1 299 38 38 ASN CB C 39.59 0.3 1 300 38 38 ASN N N 120.8 0.2 1 301 38 38 ASN ND2 N 110.4 0.2 1 302 39 39 LYS H H 8.82 0.03 1 303 39 39 LYS HA H 4.56 0.03 1 304 39 39 LYS HB2 H 1.84 0.03 2 305 39 39 LYS HB3 H 1.79 0.03 2 306 39 39 LYS HD2 H 1.72 0.03 2 307 39 39 LYS HE2 H 3.08 0.03 2 308 39 39 LYS HG2 H 1.55 0.03 2 309 39 39 LYS HG3 H 1.46 0.03 2 310 39 39 LYS C C 177 0.3 1 311 39 39 LYS CA C 55.27 0.3 1 312 39 39 LYS CB C 34.07 0.3 1 313 39 39 LYS CD C 28.78 0.3 1 314 39 39 LYS CE C 41.88 0.3 1 315 39 39 LYS CG C 24.06 0.3 1 316 39 39 LYS N N 121 0.2 1 317 40 40 GLY H H 8.62 0.03 1 318 40 40 GLY HA2 H 3.81 0.03 2 319 40 40 GLY HA3 H 3.78 0.03 2 320 40 40 GLY C C 175.3 0.3 1 321 40 40 GLY CA C 46.98 0.3 1 322 40 40 GLY N N 109.6 0.2 1 323 41 41 LEU H H 7.83 0.03 1 324 41 41 LEU HA H 4.4 0.03 1 325 41 41 LEU HB2 H 1.03 0.03 2 326 41 41 LEU HB3 H 1.47 0.03 2 327 41 41 LEU HD1 H 0.38 0.03 2 328 41 41 LEU HD2 H 0.06 0.03 2 329 41 41 LEU HG H 1.14 0.03 1 330 41 41 LEU C C 177.9 0.3 1 331 41 41 LEU CA C 54.37 0.3 1 332 41 41 LEU CB C 42.7 0.3 1 333 41 41 LEU CD1 C 21.73 0.3 2 334 41 41 LEU CD2 C 24.93 0.3 2 335 41 41 LEU CG C 26.09 0.3 1 336 41 41 LEU N N 115 0.2 1 337 42 42 VAL H H 9.4 0.03 1 338 42 42 VAL HA H 4.45 0.03 1 339 42 42 VAL HB H 2.04 0.03 1 340 42 42 VAL HG1 H 0.82 0.03 2 341 42 42 VAL HG2 H 0.9 0.03 2 342 42 42 VAL C C 175.5 0.3 1 343 42 42 VAL CA C 59.77 0.3 1 344 42 42 VAL CB C 34.61 0.3 1 345 42 42 VAL CG1 C 19.93 0.3 2 346 42 42 VAL CG2 C 21.44 0.3 2 347 42 42 VAL N N 118 0.2 1 348 43 43 GLU H H 8.61 0.03 1 349 43 43 GLU HA H 3.82 0.03 1 350 43 43 GLU HB2 H 1.84 0.03 2 351 43 43 GLU HB3 H 1.78 0.03 2 352 43 43 GLU HG2 H 2.08 0.03 2 353 43 43 GLU HG3 H 2.03 0.03 2 354 43 43 GLU C C 175.7 0.3 1 355 43 43 GLU CA C 57.34 0.3 1 356 43 43 GLU CB C 30.35 0.3 1 357 43 43 GLU CG C 36.63 0.3 1 358 43 43 GLU N N 123.1 0.2 1 359 44 44 CYS H H 8.34 0.03 1 360 44 44 CYS HA H 4.19 0.03 1 361 44 44 CYS HB2 H 1.96 0.03 2 362 44 44 CYS HB3 H 1.24 0.03 2 363 44 44 CYS C C 175.3 0.3 1 364 44 44 CYS CA C 57.95 0.3 1 365 44 44 CYS CB C 28.33 0.3 1 366 44 44 CYS N N 128.8 0.2 1 367 45 45 ASN H H 8.82 0.03 1 368 45 45 ASN HA H 4.17 0.03 1 369 45 45 ASN HB2 H 3.45 0.03 2 370 45 45 ASN HB3 H 3.03 0.03 2 371 45 45 ASN HD21 H 7.74 0.03 2 372 45 45 ASN HD22 H 7.15 0.03 2 373 45 45 ASN C C 174.6 0.3 1 374 45 45 ASN CA C 56.86 0.3 1 375 45 45 ASN CB C 39.57 0.3 1 376 45 45 ASN N N 119 0.2 1 377 45 45 ASN ND2 N 120.6 0.2 1 378 46 46 ASN H H 8.04 0.03 1 379 46 46 ASN HA H 4.52 0.03 1 380 46 46 ASN HB2 H 3.17 0.03 2 381 46 46 ASN HB3 H 2.81 0.03 2 382 46 46 ASN HD21 H 7.54 0.03 2 383 46 46 ASN HD22 H 6.78 0.03 2 384 46 46 ASN C C 174 0.3 1 385 46 46 ASN CA C 52.87 0.3 1 386 46 46 ASN CB C 37.84 0.3 1 387 46 46 ASN N N 117 0.2 1 388 46 46 ASN ND2 N 109.4 0.2 1 389 47 47 HIS H H 7.52 0.03 1 390 47 47 HIS HA H 4.72 0.03 1 391 47 47 HIS HB2 H 3.41 0.03 2 392 47 47 HIS HB3 H 3.32 0.03 2 393 47 47 HIS HD2 H 7.51 0.03 1 394 47 47 HIS HE1 H 7.35 0.03 1 395 47 47 HIS C C 171.9 0.3 1 396 47 47 HIS CA C 54.44 0.3 1 397 47 47 HIS CB C 30 0.3 1 398 47 47 HIS CD2 C 130.5 0.3 1 399 47 47 HIS CE1 C 137.7 0.3 1 400 47 47 HIS N N 112.7 0.2 1 401 47 47 HIS ND1 N 168.7 0.2 1 402 47 47 HIS NE2 N 218.2 0.2 1 403 48 48 TYR H H 9.91 0.03 1 404 48 48 TYR HA H 5.31 0.03 1 405 48 48 TYR HB2 H 2.93 0.03 1 406 48 48 TYR HB3 H 2.71 0.03 1 407 48 48 TYR HD1 H 6.85 0.03 3 408 48 48 TYR HE1 H 6.59 0.03 3 409 48 48 TYR C C 178.9 0.3 1 410 48 48 TYR CA C 57.4 0.3 1 411 48 48 TYR CB C 42.43 0.3 1 412 48 48 TYR CD1 C 132.2 0.3 3 413 48 48 TYR CE1 C 117.6 0.3 3 414 48 48 TYR N N 115.8 0.2 1 415 49 49 LEU H H 9.37 0.03 1 416 49 49 LEU HA H 5.91 0.03 1 417 49 49 LEU HB2 H 1.64 0.03 2 418 49 49 LEU HB3 H 1.5 0.03 2 419 49 49 LEU HD1 H 1.05 0.03 2 420 49 49 LEU HD2 H 1.22 0.03 2 421 49 49 LEU HG H 1.51 0.03 1 422 49 49 LEU C C 175.5 0.3 1 423 49 49 LEU CA C 54.01 0.3 1 424 49 49 LEU CB C 48.67 0.3 1 425 49 49 LEU CD1 C 27.88 0.3 2 426 49 49 LEU CD2 C 25.21 0.3 2 427 49 49 LEU CG C 24.64 0.3 1 428 49 49 LEU N N 123.7 0.2 1 429 50 50 CYS H H 9.91 0.03 1 430 50 50 CYS HA H 5.09 0.03 1 431 50 50 CYS HB2 H 3.54 0.03 2 432 50 50 CYS HB3 H 2.62 0.03 2 433 50 50 CYS C C 175.8 0.3 1 434 50 50 CYS CA C 57.11 0.3 1 435 50 50 CYS CB C 32.05 0.3 1 436 50 50 CYS N N 120.3 0.2 1 437 51 51 LEU H H 8.5 0.03 1 438 51 51 LEU HA H 4.06 0.03 1 439 51 51 LEU HB2 H 1.63 0.03 2 440 51 51 LEU HB3 H 1.78 0.03 2 441 51 51 LEU HD1 H 0.91 0.03 2 442 51 51 LEU HD2 H 0.97 0.03 2 443 51 51 LEU HG H 1.85 0.03 1 444 51 51 LEU C C 180.4 0.3 1 445 51 51 LEU CA C 58.12 0.3 1 446 51 51 LEU CB C 41.67 0.3 1 447 51 51 LEU CD1 C 24.25 0.3 2 448 51 51 LEU CD2 C 24.37 0.3 2 449 51 51 LEU CG C 27.1 0.3 1 450 51 51 LEU N N 119.2 0.2 1 451 52 52 ASN H H 8.52 0.03 1 452 52 52 ASN HA H 4.49 0.03 1 453 52 52 ASN HB2 H 3.04 0.03 2 454 52 52 ASN HB3 H 2.98 0.03 2 455 52 52 ASN HD21 H 8.06 0.03 2 456 52 52 ASN HD22 H 7.02 0.03 2 457 52 52 ASN C C 178.7 0.3 1 458 52 52 ASN CA C 57.2 0.3 1 459 52 52 ASN CB C 38.62 0.3 1 460 52 52 ASN N N 119.3 0.2 1 461 52 52 ASN ND2 N 114 0.2 1 462 53 53 CYS H H 9.34 0.03 1 463 53 53 CYS HA H 4.05 0.03 1 464 53 53 CYS HB2 H 3.12 0.03 2 465 53 53 CYS HB3 H 2.76 0.03 2 466 53 53 CYS C C 177.9 0.3 1 467 53 53 CYS CA C 65.62 0.3 1 468 53 53 CYS CB C 29.13 0.3 1 469 53 53 CYS N N 123.1 0.2 1 470 54 54 LEU H H 8.97 0.03 1 471 54 54 LEU HA H 4.06 0.03 1 472 54 54 LEU HB2 H 2.1 0.03 2 473 54 54 LEU HB3 H 1.43 0.03 2 474 54 54 LEU HD1 H 1.01 0.03 2 475 54 54 LEU HD2 H 0.89 0.03 2 476 54 54 LEU HG H 1.62 0.03 1 477 54 54 LEU C C 178 0.3 1 478 54 54 LEU CA C 58.86 0.3 1 479 54 54 LEU CB C 42.19 0.3 1 480 54 54 LEU CD1 C 24.38 0.3 2 481 54 54 LEU CD2 C 26.7 0.3 2 482 54 54 LEU CG C 27.35 0.3 1 483 54 54 LEU N N 119 0.2 1 484 55 55 THR H H 8.08 0.03 1 485 55 55 THR HA H 3.79 0.03 1 486 55 55 THR HB H 4.36 0.03 1 487 55 55 THR HG2 H 1.26 0.03 1 488 55 55 THR C C 177.4 0.3 1 489 55 55 THR CA C 67.11 0.3 1 490 55 55 THR CB C 68.96 0.3 1 491 55 55 THR CG2 C 21.22 0.3 1 492 55 55 THR N N 112.1 0.2 1 493 56 56 LEU H H 7.73 0.03 1 494 56 56 LEU HA H 4.11 0.03 1 495 56 56 LEU HB2 H 1.86 0.03 2 496 56 56 LEU HB3 H 1.72 0.03 2 497 56 56 LEU HD1 H 0.93 0.03 2 498 56 56 LEU HD2 H 0.88 0.03 2 499 56 56 LEU HG H 1.75 0.03 1 500 56 56 LEU C C 181.3 0.3 1 501 56 56 LEU CA C 58.2 0.3 1 502 56 56 LEU CB C 42.02 0.3 1 503 56 56 LEU CD1 C 24.56 0.3 2 504 56 56 LEU CD2 C 24.04 0.3 2 505 56 56 LEU CG C 27.03 0.3 1 506 56 56 LEU N N 121.9 0.2 1 507 57 57 LEU H H 9.1 0.03 1 508 57 57 LEU HA H 4.08 0.03 1 509 57 57 LEU HB2 H 1.99 0.03 2 510 57 57 LEU HB3 H 1.74 0.03 2 511 57 57 LEU HD1 H 0.98 0.03 2 512 57 57 LEU HD2 H 1 0.03 2 513 57 57 LEU HG H 2.08 0.03 1 514 57 57 LEU C C 181 0.3 1 515 57 57 LEU CA C 58.5 0.3 1 516 57 57 LEU CB C 41.22 0.3 1 517 57 57 LEU CD1 C 22.9 0.3 2 518 57 57 LEU CD2 C 25.7 0.3 2 519 57 57 LEU CG C 27.24 0.3 1 520 57 57 LEU N N 122 0.2 1 521 58 58 LEU H H 8.67 0.03 1 522 58 58 LEU HA H 4.44 0.03 1 523 58 58 LEU HB2 H 1.92 0.03 2 524 58 58 LEU HB3 H 1.41 0.03 2 525 58 58 LEU HD1 H 0.92 0.03 2 526 58 58 LEU HD2 H 0.93 0.03 2 527 58 58 LEU HG H 1.82 0.03 1 528 58 58 LEU C C 179.3 0.3 1 529 58 58 LEU CA C 56.68 0.3 1 530 58 58 LEU CB C 43.07 0.3 1 531 58 58 LEU CD1 C 25.87 0.3 2 532 58 58 LEU CD2 C 24.38 0.3 2 533 58 58 LEU CG C 27.63 0.3 1 534 58 58 LEU N N 119.9 0.2 1 535 59 59 SER H H 7.51 0.03 1 536 59 59 SER HA H 4.32 0.03 1 537 59 59 SER HB2 H 4.09 0.03 2 538 59 59 SER HB3 H 4.04 0.03 2 539 59 59 SER C C 175.1 0.3 1 540 59 59 SER CA C 60.51 0.3 1 541 59 59 SER CB C 63.39 0.3 1 542 59 59 SER N N 111.6 0.2 1 543 60 60 VAL H H 7.58 0.03 1 544 60 60 VAL HA H 4.13 0.03 1 545 60 60 VAL HB H 2.24 0.03 1 546 60 60 VAL HG1 H 1.04 0.03 2 547 60 60 VAL HG2 H 1.01 0.03 2 548 60 60 VAL C C 176.8 0.3 1 549 60 60 VAL CA C 63.93 0.3 1 550 60 60 VAL CB C 33.51 0.3 1 551 60 60 VAL CG1 C 20.84 0.3 2 552 60 60 VAL CG2 C 21.58 0.3 2 553 60 60 VAL N N 119.3 0.2 1 554 61 61 SER H H 8.16 0.03 1 555 61 61 SER HA H 4.57 0.03 1 556 61 61 SER HB2 H 4.08 0.03 2 557 61 61 SER HB3 H 3.77 0.03 2 558 61 61 SER C C 172.2 0.3 1 559 61 61 SER CA C 57.22 0.3 1 560 61 61 SER CB C 63.89 0.3 1 561 61 61 SER N N 112.7 0.2 1 562 62 62 ASN H H 8.19 0.03 1 563 62 62 ASN HA H 4.76 0.03 1 564 62 62 ASN HB2 H 2.87 0.03 2 565 62 62 ASN HB3 H 2.84 0.03 2 566 62 62 ASN HD21 H 7.63 0.03 2 567 62 62 ASN HD22 H 6.94 0.03 2 568 62 62 ASN C C 175.9 0.3 1 569 62 62 ASN CA C 53.8 0.3 1 570 62 62 ASN CB C 38.39 0.3 1 571 62 62 ASN N N 115.7 0.2 1 572 62 62 ASN ND2 N 111.6 0.2 1 573 63 63 ARG H H 8.49 0.03 1 574 63 63 ARG HA H 4.3 0.03 1 575 63 63 ARG HB2 H 1.58 0.03 2 576 63 63 ARG HB3 H 1.53 0.03 2 577 63 63 ARG HD2 H 3 0.03 2 578 63 63 ARG HG2 H 1.28 0.03 2 579 63 63 ARG HG3 H 1.22 0.03 2 580 63 63 ARG C C 175.1 0.3 1 581 63 63 ARG CA C 55.09 0.3 1 582 63 63 ARG CB C 32.22 0.3 1 583 63 63 ARG CD C 43.3 0.3 1 584 63 63 ARG CG C 27.16 0.3 1 585 63 63 ARG N N 121.4 0.2 1 586 64 64 CYS H H 9.08 0.03 1 587 64 64 CYS HA H 4.46 0.03 1 588 64 64 CYS HB2 H 3.54 0.03 2 589 64 64 CYS HB3 H 2.63 0.03 2 590 64 64 CYS CA C 56.83 0.3 1 591 64 64 CYS CB C 31.95 0.3 1 592 64 64 CYS N N 131.1 0.2 1 593 65 65 PRO HA H 4.59 0.03 1 594 65 65 PRO HB2 H 2.07 0.03 2 595 65 65 PRO HG2 H 2.33 0.03 2 596 65 65 PRO C C 177.3 0.3 1 597 65 65 PRO CA C 64.22 0.3 1 598 65 65 PRO CB C 31.64 0.3 1 599 65 65 PRO CD C 50.72 0.3 1 600 65 65 PRO CG C 26.79 0.3 1 601 66 66 ILE H H 9.55 0.03 1 602 66 66 ILE HA H 3.84 0.03 1 603 66 66 ILE HB H 1.75 0.03 1 604 66 66 ILE HD1 H 0.28 0.03 1 605 66 66 ILE HG12 H 1.35 0.03 2 606 66 66 ILE HG13 H 1.11 0.03 2 607 66 66 ILE HG2 H 0.62 0.03 1 608 66 66 ILE C C 177.7 0.3 1 609 66 66 ILE CA C 63.71 0.3 1 610 66 66 ILE CB C 38.15 0.3 1 611 66 66 ILE CD1 C 16.85 0.3 1 612 66 66 ILE CG1 C 28.53 0.3 1 613 66 66 ILE CG2 C 13.72 0.3 1 614 66 66 ILE N N 124.5 0.2 1 615 67 67 CYS H H 8.88 0.03 1 616 67 67 CYS HA H 4.85 0.03 1 617 67 67 CYS HB2 H 3.34 0.03 2 618 67 67 CYS HB3 H 3.09 0.03 2 619 67 67 CYS C C 176.5 0.3 1 620 67 67 CYS CA C 58.61 0.3 1 621 67 67 CYS CB C 32.34 0.3 1 622 67 67 CYS N N 119.5 0.2 1 623 68 68 LYS H H 7.7 0.03 1 624 68 68 LYS HA H 4.16 0.03 1 625 68 68 LYS HB2 H 2.22 0.03 2 626 68 68 LYS HB3 H 1.99 0.03 2 627 68 68 LYS HD2 H 1.57 0.03 2 628 68 68 LYS HE2 H 3.03 0.03 2 629 68 68 LYS HE3 H 2.95 0.03 2 630 68 68 LYS HG2 H 1.31 0.03 2 631 68 68 LYS HG3 H 1.23 0.03 2 632 68 68 LYS C C 175.7 0.3 1 633 68 68 LYS CA C 58.03 0.3 1 634 68 68 LYS CB C 28.69 0.3 1 635 68 68 LYS CD C 28.8 0.3 1 636 68 68 LYS CE C 42.6 0.3 1 637 68 68 LYS CG C 25.48 0.3 1 638 68 68 LYS N N 115.6 0.2 1 639 69 69 MET H H 8.17 0.03 1 640 69 69 MET HA H 4.95 0.03 1 641 69 69 MET HB2 H 2.61 0.03 2 642 69 69 MET HG2 H 2.48 0.03 2 643 69 69 MET HG3 H 2.04 0.03 2 644 69 69 MET CA C 53.59 0.3 1 645 69 69 MET CB C 32.9 0.3 1 646 69 69 MET CG C 32.36 0.3 1 647 69 69 MET N N 120.7 0.2 1 648 70 70 PRO HA H 4.5 0.03 1 649 70 70 PRO HB2 H 2.33 0.03 2 650 70 70 PRO HB3 H 1.82 0.03 2 651 70 70 PRO HD2 H 3.82 0.03 2 652 70 70 PRO HD3 H 3.64 0.03 2 653 70 70 PRO HG2 H 2.18 0.03 2 654 70 70 PRO HG3 H 1.86 0.03 2 655 70 70 PRO C C 177.5 0.3 1 656 70 70 PRO CA C 63.94 0.3 1 657 70 70 PRO CB C 31.66 0.3 1 658 70 70 PRO CD C 50.84 0.3 1 659 70 70 PRO CG C 28.44 0.3 1 660 71 71 LEU H H 8.28 0.03 1 661 71 71 LEU HA H 4.29 0.03 1 662 71 71 LEU HB2 H 1.51 0.03 2 663 71 71 LEU HB3 H 1.24 0.03 2 664 71 71 LEU HD1 H 0.88 0.03 2 665 71 71 LEU HD2 H 0.85 0.03 2 666 71 71 LEU HG H 1.43 0.03 1 667 71 71 LEU CA C 53.96 0.3 1 668 71 71 LEU CB C 42.32 0.3 1 669 71 71 LEU N N 125.3 0.2 1 670 72 72 PRO HA H 4.54 0.03 1 671 72 72 PRO HB2 H 2.33 0.03 2 672 72 72 PRO HB3 H 1.98 0.03 2 673 72 72 PRO HD2 H 3.85 0.03 2 674 72 72 PRO HD3 H 3.7 0.03 2 675 72 72 PRO HG2 H 2.08 0.03 2 676 72 72 PRO C C 177.6 0.3 1 677 72 72 PRO CA C 63.03 0.3 1 678 72 72 PRO CB C 32.12 0.3 1 679 72 72 PRO CD C 50.55 0.3 1 680 72 72 PRO CG C 27.39 0.3 1 681 73 73 THR H H 8.26 0.03 1 682 73 73 THR HA H 4.3 0.03 1 683 73 73 THR HB H 4.47 0.03 1 684 73 73 THR HG2 H 1.23 0.03 1 685 73 73 THR C C 175.7 0.3 1 686 73 73 THR CA C 61.56 0.3 1 687 73 73 THR CB C 69.9 0.3 1 688 73 73 THR CG2 C 21.78 0.3 1 689 73 73 THR N N 113.5 0.2 1 690 74 74 LYS H H 8.06 0.03 1 691 74 74 LYS HA H 4.32 0.03 1 692 74 74 LYS HB2 H 1.82 0.03 2 693 74 74 LYS HB3 H 1.76 0.03 2 694 74 74 LYS HD2 H 1.72 0.03 2 695 74 74 LYS HE2 H 3.01 0.03 2 696 74 74 LYS HE3 H 3.03 0.03 2 697 74 74 LYS HG2 H 1.46 0.03 2 698 74 74 LYS HG3 H 1.44 0.03 2 699 74 74 LYS C C 176.6 0.3 1 700 74 74 LYS CA C 56.32 0.3 1 701 74 74 LYS CB C 32.81 0.3 1 702 74 74 LYS CD C 29.23 0.3 1 703 74 74 LYS CE C 42.22 0.3 1 704 74 74 LYS CG C 24.73 0.3 1 705 74 74 LYS N N 120.7 0.2 1 706 75 75 LEU H H 8.23 0.03 1 707 75 75 LEU HA H 4.34 0.03 1 708 75 75 LEU HB2 H 1.64 0.03 2 709 75 75 LEU HB3 H 1.57 0.03 2 710 75 75 LEU HD1 H 0.84 0.03 2 711 75 75 LEU HD2 H 0.92 0.03 2 712 75 75 LEU HG H 1.62 0.03 1 713 75 75 LEU C C 177.2 0.3 1 714 75 75 LEU CA C 54.73 0.3 1 715 75 75 LEU CB C 42.06 0.3 1 716 75 75 LEU CD1 C 23.4 0.3 2 717 75 75 LEU CD2 C 25.15 0.3 2 718 75 75 LEU CG C 27.12 0.3 1 719 75 75 LEU N N 121.4 0.2 1 720 76 76 ARG H H 8.2 0.03 1 721 76 76 ARG HA H 4.65 0.03 1 722 76 76 ARG HB2 H 1.86 0.03 2 723 76 76 ARG HB3 H 1.74 0.03 2 724 76 76 ARG HD2 H 3.23 0.03 2 725 76 76 ARG CA C 53.64 0.3 1 726 76 76 ARG CB C 30.43 0.3 1 727 76 76 ARG CD C 43.35 0.3 1 728 76 76 ARG N N 121.1 0.2 1 729 79 79 ALA HA H 4.37 0.03 1 730 79 79 ALA HB H 1.39 0.03 1 731 79 79 ALA C C 177.4 0.3 1 732 79 79 ALA CA C 51.98 0.3 1 733 79 79 ALA CB C 19.56 0.3 1 734 80 80 ALA H H 8.29 0.03 1 735 80 80 ALA HA H 4.58 0.03 1 736 80 80 ALA HB H 1.37 0.03 1 737 80 80 ALA CA C 50.52 0.3 1 738 80 80 ALA CB C 18.18 0.3 1 739 80 80 ALA N N 123.7 0.2 1 740 81 81 PRO HA H 4.55 0.03 1 741 81 81 PRO HB2 H 2.32 0.03 2 742 81 81 PRO HB3 H 1.95 0.03 2 743 81 81 PRO C C 176.2 0.3 1 744 81 81 PRO CA C 62.73 0.3 1 745 81 81 PRO CB C 32.09 0.3 1 746 81 81 PRO CD C 50.55 0.3 1 747 81 81 PRO CG C 27.34 0.3 1 748 82 82 THR H H 7.96 0.03 1 749 82 82 THR HA H 4.27 0.03 1 750 82 82 THR HB H 4.26 0.03 1 751 82 82 THR HG2 H 1.24 0.03 1 752 82 82 THR C C 174.5 0.3 1 753 82 82 THR CA C 61.63 0.3 1 754 82 82 THR CB C 69.91 0.3 1 755 82 82 THR CG2 C 21.72 0.3 1 756 82 82 THR N N 109.3 0.2 1 757 83 83 ALA H H 8.32 0.03 1 758 83 83 ALA HA H 4.64 0.03 1 759 83 83 ALA HB H 1.36 0.03 1 760 83 83 ALA CA C 50.33 0.3 1 761 83 83 ALA CB C 18.41 0.3 1 762 83 83 ALA N N 126.7 0.2 1 763 85 85 PRO HA H 4.52 0.03 1 764 85 85 PRO HB2 H 2.33 0.03 2 765 85 85 PRO HB3 H 1.98 0.03 2 766 85 85 PRO C C 177.8 0.3 1 767 85 85 PRO CA C 63.03 0.3 1 768 85 85 PRO CB C 32.21 0.3 1 769 85 85 PRO CD C 50.53 0.3 1 770 85 85 PRO CG C 27.39 0.3 1 771 86 86 THR H H 8.29 0.03 1 772 86 86 THR HA H 4.33 0.03 1 773 86 86 THR HB H 4.28 0.03 1 774 86 86 THR HG2 H 1.26 0.03 1 775 86 86 THR C C 175.8 0.3 1 776 86 86 THR CA C 61.96 0.3 1 777 86 86 THR CB C 69.71 0.3 1 778 86 86 THR CG2 C 21.64 0.3 1 779 86 86 THR N N 112.7 0.2 1 780 87 87 GLY H H 8.47 0.03 1 781 87 87 GLY HA2 H 3.94 0.03 2 782 87 87 GLY HA3 H 3.98 0.03 2 783 87 87 GLY C C 174.4 0.3 1 784 87 87 GLY CA C 45.21 0.3 1 785 87 87 GLY N N 110.2 0.2 1 786 88 88 ALA H H 8.24 0.03 1 787 88 88 ALA HA H 4.34 0.03 1 788 88 88 ALA HB H 1.41 0.03 1 789 88 88 ALA C C 178.4 0.3 1 790 88 88 ALA CA C 52.58 0.3 1 791 88 88 ALA CB C 19.43 0.3 1 792 88 88 ALA N N 122.8 0.2 1 793 89 89 ALA H H 8.44 0.03 1 794 89 89 ALA HA H 4.3 0.03 1 795 89 89 ALA HB H 1.42 0.03 1 796 89 89 ALA C C 178.2 0.3 1 797 89 89 ALA CA C 52.78 0.3 1 798 89 89 ALA CB C 18.93 0.3 1 799 89 89 ALA N N 122 0.2 1 800 90 90 ASP H H 8.27 0.03 1 801 90 90 ASP HA H 4.59 0.03 1 802 90 90 ASP HB2 H 2.67 0.03 2 803 90 90 ASP HB3 H 2.69 0.03 2 804 90 90 ASP C C 176.9 0.3 1 805 90 90 ASP CA C 54.36 0.3 1 806 90 90 ASP CB C 41.06 0.3 1 807 90 90 ASP N N 117.5 0.2 1 808 91 91 SER H H 8.12 0.03 1 809 91 91 SER HA H 4.44 0.03 1 810 91 91 SER HB2 H 3.89 0.03 2 811 91 91 SER HB3 H 3.86 0.03 2 812 91 91 SER C C 174.8 0.3 1 813 91 91 SER CA C 58.44 0.3 1 814 91 91 SER CB C 63.85 0.3 1 815 91 91 SER N N 114.1 0.2 1 816 92 92 ILE H H 8.11 0.03 1 817 92 92 ILE HA H 4.19 0.03 1 818 92 92 ILE HB H 1.89 0.03 1 819 92 92 ILE HD1 H 0.88 0.03 1 820 92 92 ILE HG12 H 1.22 0.03 2 821 92 92 ILE HG13 H 1.51 0.03 2 822 92 92 ILE HG2 H 0.91 0.03 1 823 92 92 ILE C C 176.5 0.3 1 824 92 92 ILE CA C 61.17 0.3 1 825 92 92 ILE CB C 38.47 0.3 1 826 92 92 ILE CD1 C 12.75 0.3 1 827 92 92 ILE CG1 C 27.32 0.3 1 828 92 92 ILE CG2 C 17.47 0.3 1 829 92 92 ILE N N 121 0.2 1 830 93 93 ARG H H 8.39 0.03 1 831 93 93 ARG HA H 4.64 0.03 1 832 93 93 ARG CA C 53.57 0.3 1 833 93 93 ARG CB C 30.23 0.3 1 834 93 93 ARG N N 125.4 0.2 1 835 96 96 PRO HA H 4.41 0.03 1 836 96 96 PRO HB2 H 2.25 0.03 2 837 96 96 PRO HB3 H 1.86 0.03 2 838 96 96 PRO C C 177 0.3 1 839 96 96 PRO CA C 62.75 0.3 1 840 96 96 PRO CB C 31.91 0.3 1 841 96 96 PRO CD C 50.44 0.3 1 842 96 96 PRO CG C 27.25 0.3 1 843 97 97 TYR H H 8.18 0.03 1 844 97 97 TYR HA H 4.55 0.03 1 845 97 97 TYR HB2 H 3.05 0.03 2 846 97 97 TYR HB3 H 2.95 0.03 2 847 97 97 TYR HD1 H 7.09 0.03 3 848 97 97 TYR HE1 H 6.81 0.03 3 849 97 97 TYR C C 175.7 0.3 1 850 97 97 TYR CA C 57.74 0.3 1 851 97 97 TYR CB C 38.86 0.3 1 852 97 97 TYR CD1 C 132.3 0.3 3 853 97 97 TYR CE1 C 117.2 0.3 3 854 97 97 TYR N N 119.4 0.2 1 855 98 98 SER H H 8.05 0.03 1 856 98 98 SER HA H 4.67 0.03 1 857 98 98 SER HB2 H 3.81 0.03 2 858 98 98 SER HB3 H 3.69 0.03 2 859 98 98 SER CA C 55.61 0.3 1 860 98 98 SER CB C 63.79 0.3 1 861 98 98 SER N N 119.7 0.2 1 stop_ save_