data_18158 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of N-terminal domain (6-74) of human ZBP1 protein, Northeast Structural Genomics Consortium Target HR8174A. ; _BMRB_accession_number 18158 _BMRB_flat_file_name bmr18158.str _Entry_type original _Submission_date 2011-12-20 _Accession_date 2011-12-20 _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 Yang Yunhuang . . 2 Ramelot Theresa A. . 3 Hamilton Keith . . 4 Kohan Eitan . . 5 Wang Dongyan . . 6 Acton Thomas B. . 7 Xiao Rong . . 8 Everett John K. . 9 Montelione Gaetano T. . 10 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 433 "13C chemical shifts" 317 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-26 original author . stop_ _Original_release_date 2012-01-26 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR structure of N-terminal domain (6-74) of human ZBP1 protein, Northeast Structural Genomics Consortium Target HR8174A.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yunhuang . . 2 Ramelot Theresa A. . 3 Hamilton Keith . . 4 Kohan Eitan . . 5 Wang Dongyan . . 6 Acton Thomas B. . 7 Xiao Rong . . 8 Everett John K. . 9 Montelione Gaetano T. . 10 Kennedy Michael A. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal domain (6-74) of human ZBP1 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'N-terminal domain (6-74) of human ZBP1 protein' $N-terminal_domain_(6-74)_of_human_ZBP1_protein stop_ _System_molecular_weight 9023.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N-terminal_domain_(6-74)_of_human_ZBP1_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N-terminal_domain_(6-74)_of_human_ZBP1_protein _Molecular_mass 9023.3 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; MGHHHHHHSHMADPGREGHL EQRILQVLTEAGSPVKLAQL VKECQAPKRELNQVLYRMKK ELKVSLTSPATWCLGGTDPE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 ALA 13 ASP 14 PRO 15 GLY 16 ARG 17 GLU 18 GLY 19 HIS 20 LEU 21 GLU 22 GLN 23 ARG 24 ILE 25 LEU 26 GLN 27 VAL 28 LEU 29 THR 30 GLU 31 ALA 32 GLY 33 SER 34 PRO 35 VAL 36 LYS 37 LEU 38 ALA 39 GLN 40 LEU 41 VAL 42 LYS 43 GLU 44 CYS 45 GLN 46 ALA 47 PRO 48 LYS 49 ARG 50 GLU 51 LEU 52 ASN 53 GLN 54 VAL 55 LEU 56 TYR 57 ARG 58 MET 59 LYS 60 LYS 61 GLU 62 LEU 63 LYS 64 VAL 65 SER 66 LEU 67 THR 68 SER 69 PRO 70 ALA 71 THR 72 TRP 73 CYS 74 LEU 75 GLY 76 GLY 77 THR 78 ASP 79 PRO 80 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2LNB "Solution Nmr Structure Of N-Terminal Domain (6-74) Of Human Zbp1 Protein, Northeast Structural Genomics Consortium Target Hr817" 100.00 80 100.00 100.00 1.41e-50 DBJ BAF83607 "unnamed protein product [Homo sapiens]" 86.25 429 100.00 100.00 1.39e-38 EMBL CAC18810 "putative tumor stroma and activated macrophage protein DLM-1 [Homo sapiens]" 86.25 429 100.00 100.00 1.18e-38 GB AAH28218 "ZBP1 protein [Homo sapiens]" 86.25 149 100.00 100.00 4.69e-41 GB AAI31707 "Z-DNA binding protein 1 [Homo sapiens]" 86.25 429 100.00 100.00 1.17e-38 GB AIC57208 "ZBP1, partial [synthetic construct]" 86.25 429 100.00 100.00 1.17e-38 GB AIC62264 "ZBP1, partial [synthetic construct]" 86.25 149 100.00 100.00 3.50e-41 GB EAW75509 "Z-DNA binding protein 1, isoform CRA_a [Homo sapiens]" 86.25 429 100.00 100.00 1.18e-38 REF NP_001153889 "Z-DNA-binding protein 1 isoform b [Homo sapiens]" 86.25 428 100.00 100.00 1.04e-38 REF NP_001153891 "Z-DNA-binding protein 1 isoform d [Homo sapiens]" 86.25 248 100.00 100.00 3.11e-40 REF NP_110403 "Z-DNA-binding protein 1 isoform a [Homo sapiens]" 86.25 429 100.00 100.00 1.13e-38 REF XP_011527359 "PREDICTED: Z-DNA-binding protein 1 isoform X1 [Homo sapiens]" 86.25 405 100.00 100.00 1.12e-38 REF XP_011527360 "PREDICTED: Z-DNA-binding protein 1 isoform X2 [Homo sapiens]" 86.25 357 100.00 100.00 6.51e-39 SP Q9H171 "RecName: Full=Z-DNA-binding protein 1; AltName: Full=Tumor stroma and activated macrophage protein DLM-1" 86.25 429 100.00 100.00 1.13e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $N-terminal_domain_(6-74)_of_human_ZBP1_protein Human 9606 Eukaryota Metazoa Homo sapiens ZBP1 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 $N-terminal_domain_(6-74)_of_human_ZBP1_protein 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N-terminal_domain_(6-74)_of_human_ZBP1_protein 1.0 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' stop_ save_ save_NC5_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N-terminal_domain_(6-74)_of_human_ZBP1_protein 1.00 mM '[U-5% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1.4 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'PALES (Zweckstetter, Bax)' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _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 $NC_sample save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NC_sample save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC_sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $NC_sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NC_sample save_ save_3D_1H-13C_arom_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _Sample_label $NC_sample save_ save_2D_1H-15N_HSQC_NH2_only_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $NC5_sample save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $NC_sample save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $NC_sample save_ save_3D_1H-13C_NUS-NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NUS-NOESY aliphatic' _Sample_label $NC_sample save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NC_sample save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $NC_sample save_ save_3D_C(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $NC_sample save_ save_3D_HBHA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $NC_sample save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $NC_sample save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $NC_sample save_ save_3D_CCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $NC_sample save_ save_4D_CC-NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _Sample_label $NC_sample save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C arom NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NUS-NOESY aliphatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_19 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' stop_ loop_ _Sample_label $NC_sample $NC5_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'N-terminal domain (6-74) of human ZBP1 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 10 10 HIS HA H 4.66 0.02 1 2 10 10 HIS HB2 H 3.16 0.02 2 3 10 10 HIS HB3 H 3.16 0.02 2 4 10 10 HIS C C 175 0.2 1 5 10 10 HIS CA C 56.3 0.2 1 6 10 10 HIS CB C 30.2 0.2 1 7 11 11 MET H H 8.22 0.02 1 8 11 11 MET HA H 4.4 0.02 1 9 11 11 MET HB2 H 2.03 0.02 2 10 11 11 MET HB3 H 1.93 0.02 2 11 11 11 MET HG2 H 2.49 0.02 2 12 11 11 MET HG3 H 2.43 0.02 2 13 11 11 MET C C 175.5 0.2 1 14 11 11 MET CA C 55.6 0.2 1 15 11 11 MET CB C 33.1 0.2 1 16 11 11 MET CG C 31.9 0.2 1 17 11 11 MET N N 121.5 0.2 1 18 12 12 ALA H H 8.32 0.02 1 19 12 12 ALA HA H 4.28 0.02 1 20 12 12 ALA HB H 1.35 0.02 1 21 12 12 ALA C C 177 0.2 1 22 12 12 ALA CA C 52.4 0.2 1 23 12 12 ALA CB C 19.4 0.2 1 24 12 12 ALA N N 125.1 0.2 1 25 13 13 ASP H H 8.31 0.02 1 26 13 13 ASP HA H 4.86 0.02 1 27 13 13 ASP HB2 H 2.78 0.02 2 28 13 13 ASP HB3 H 2.59 0.02 2 29 13 13 ASP CA C 52.1 0.2 1 30 13 13 ASP CB C 41.6 0.2 1 31 13 13 ASP N N 120.77 0.2 1 32 14 14 PRO HA H 4.41 0.02 1 33 14 14 PRO HB2 H 2.28 0.02 2 34 14 14 PRO HB3 H 1.96 0.02 2 35 14 14 PRO HG2 H 2 0.02 2 36 14 14 PRO HG3 H 2 0.02 2 37 14 14 PRO HD2 H 3.84 0.02 2 38 14 14 PRO HD3 H 3.84 0.02 2 39 14 14 PRO C C 178 0.2 1 40 14 14 PRO CA C 64 0.2 1 41 14 14 PRO CB C 32.1 0.2 1 42 14 14 PRO CG C 27.3 0.2 1 43 14 14 PRO CD C 50.8 0.2 1 44 15 15 GLY H H 8.52 0.02 1 45 15 15 GLY HA2 H 4 0.02 2 46 15 15 GLY HA3 H 3.9 0.02 2 47 15 15 GLY C C 174.9 0.2 1 48 15 15 GLY CA C 45.5 0.2 1 49 15 15 GLY N N 108.3 0.2 1 50 16 16 ARG H H 8.05 0.02 1 51 16 16 ARG HA H 4.21 0.02 1 52 16 16 ARG HB2 H 1.93 0.02 2 53 16 16 ARG HB3 H 1.89 0.02 2 54 16 16 ARG HG2 H 1.66 0.02 2 55 16 16 ARG HG3 H 1.66 0.02 2 56 16 16 ARG HD2 H 3.27 0.02 2 57 16 16 ARG HD3 H 3.18 0.02 2 58 16 16 ARG C C 177.6 0.2 1 59 16 16 ARG CA C 58 0.2 1 60 16 16 ARG CB C 30.6 0.2 1 61 16 16 ARG CG C 27.1 0.2 1 62 16 16 ARG CD C 43.3 0.2 1 63 16 16 ARG CZ C 160.1 0.2 1 64 16 16 ARG N N 121.7 0.2 1 65 17 17 GLU H H 8.66 0.02 1 66 17 17 GLU HA H 4.04 0.02 1 67 17 17 GLU HB2 H 2.02 0.02 2 68 17 17 GLU HB3 H 2.02 0.02 2 69 17 17 GLU HG2 H 2.33 0.02 2 70 17 17 GLU HG3 H 2.22 0.02 2 71 17 17 GLU C C 178.1 0.2 1 72 17 17 GLU CA C 59.4 0.2 1 73 17 17 GLU CB C 29.5 0.2 1 74 17 17 GLU CG C 36.8 0.2 1 75 17 17 GLU N N 119.9 0.2 1 76 18 18 GLY H H 8.3 0.02 1 77 18 18 GLY HA2 H 3.93 0.02 2 78 18 18 GLY HA3 H 3.91 0.02 2 79 18 18 GLY C C 175.9 0.2 1 80 18 18 GLY CA C 46.5 0.2 1 81 18 18 GLY N N 108.2 0.2 1 82 19 19 HIS H H 8.1 0.02 1 83 19 19 HIS HA H 4.49 0.02 1 84 19 19 HIS HB2 H 3.28 0.02 2 85 19 19 HIS HB3 H 3.24 0.02 2 86 19 19 HIS HD2 H 7.05 0.02 1 87 19 19 HIS C C 177.4 0.2 1 88 19 19 HIS CA C 58.6 0.2 1 89 19 19 HIS CB C 29.8 0.2 1 90 19 19 HIS CD2 C 119.9 0.2 1 91 19 19 HIS N N 120.6 0.2 1 92 20 20 LEU H H 8.35 0.02 1 93 20 20 LEU HA H 4.02 0.02 1 94 20 20 LEU HB2 H 1.79 0.02 2 95 20 20 LEU HB3 H 1.51 0.02 2 96 20 20 LEU HG H 1.66 0.02 1 97 20 20 LEU HD1 H 0.84 0.02 2 98 20 20 LEU HD2 H 0.75 0.02 2 99 20 20 LEU C C 178.1 0.2 1 100 20 20 LEU CA C 58.2 0.2 1 101 20 20 LEU CB C 41.5 0.2 1 102 20 20 LEU CG C 27.1 0.2 1 103 20 20 LEU CD1 C 24.4 0.2 2 104 20 20 LEU CD2 C 24.3 0.2 2 105 20 20 LEU N N 121.1 0.2 1 106 21 21 GLU H H 8.58 0.02 1 107 21 21 GLU HA H 3.79 0.02 1 108 21 21 GLU HB2 H 2.02 0.02 2 109 21 21 GLU HB3 H 2.02 0.02 2 110 21 21 GLU HG2 H 2.46 0.02 2 111 21 21 GLU HG3 H 2.14 0.02 2 112 21 21 GLU C C 177.6 0.2 1 113 21 21 GLU CA C 60.2 0.2 1 114 21 21 GLU CB C 29.3 0.2 1 115 21 21 GLU CG C 35.4 0.2 1 116 21 21 GLU N N 119.4 0.2 1 117 22 22 GLN H H 7.61 0.02 1 118 22 22 GLN HA H 3.94 0.02 1 119 22 22 GLN HB2 H 2.15 0.02 2 120 22 22 GLN HB3 H 2.15 0.02 2 121 22 22 GLN HG2 H 2.49 0.02 2 122 22 22 GLN HG3 H 2.41 0.02 2 123 22 22 GLN HE21 H 7.49 0.02 2 124 22 22 GLN HE22 H 6.83 0.02 2 125 22 22 GLN C C 178.9 0.2 1 126 22 22 GLN CA C 59.1 0.2 1 127 22 22 GLN CB C 28.3 0.2 1 128 22 22 GLN CG C 34.1 0.2 1 129 22 22 GLN CD C 180 0.2 1 130 22 22 GLN N N 115.6 0.2 1 131 22 22 GLN NE2 N 112.3 0.2 1 132 23 23 ARG H H 8 0.02 1 133 23 23 ARG HA H 4.12 0.02 1 134 23 23 ARG HB2 H 2.01 0.02 2 135 23 23 ARG HB3 H 1.91 0.02 2 136 23 23 ARG HG2 H 1.71 0.02 2 137 23 23 ARG HG3 H 1.71 0.02 2 138 23 23 ARG HD2 H 3.34 0.02 2 139 23 23 ARG HD3 H 3.18 0.02 2 140 23 23 ARG HE H 7.02 0.02 1 141 23 23 ARG C C 178 0.2 1 142 23 23 ARG CA C 58.3 0.2 1 143 23 23 ARG CB C 29.4 0.2 1 144 23 23 ARG CG C 27.5 0.2 1 145 23 23 ARG CD C 42.6 0.2 1 146 23 23 ARG CZ C 159.6 0.2 1 147 23 23 ARG N N 120.8 0.2 1 148 23 23 ARG NE N 84.2 0.2 1 149 24 24 ILE H H 8.74 0.02 1 150 24 24 ILE HA H 3.24 0.02 1 151 24 24 ILE HB H 1.78 0.02 1 152 24 24 ILE HG12 H 1.84 0.02 2 153 24 24 ILE HG13 H 0.62 0.02 2 154 24 24 ILE HG2 H 0.6 0.02 1 155 24 24 ILE HD1 H 0.62 0.02 1 156 24 24 ILE C C 177.8 0.2 1 157 24 24 ILE CA C 66.1 0.2 1 158 24 24 ILE CB C 38.7 0.2 1 159 24 24 ILE CG1 C 30.5 0.2 1 160 24 24 ILE CG2 C 18.1 0.2 1 161 24 24 ILE CD1 C 15.3 0.2 1 162 24 24 ILE N N 120 0.2 1 163 25 25 LEU H H 8.09 0.02 1 164 25 25 LEU HA H 3.83 0.02 1 165 25 25 LEU HB2 H 1.88 0.02 2 166 25 25 LEU HB3 H 1.45 0.02 2 167 25 25 LEU HG H 1.74 0.02 1 168 25 25 LEU HD1 H 0.88 0.02 2 169 25 25 LEU HD2 H 0.71 0.02 2 170 25 25 LEU C C 180.3 0.2 1 171 25 25 LEU CA C 58.5 0.2 1 172 25 25 LEU CB C 41.3 0.2 1 173 25 25 LEU CG C 27 0.2 1 174 25 25 LEU CD1 C 25.8 0.2 2 175 25 25 LEU CD2 C 23 0.2 2 176 25 25 LEU N N 117.1 0.2 1 177 26 26 GLN H H 8.23 0.02 1 178 26 26 GLN HA H 4.03 0.02 1 179 26 26 GLN HB2 H 2.25 0.02 2 180 26 26 GLN HB3 H 2.25 0.02 2 181 26 26 GLN HG2 H 2.52 0.02 2 182 26 26 GLN HG3 H 2.32 0.02 2 183 26 26 GLN HE21 H 7.72 0.02 2 184 26 26 GLN HE22 H 6.79 0.02 2 185 26 26 GLN C C 178.1 0.2 1 186 26 26 GLN CA C 59.8 0.2 1 187 26 26 GLN CB C 28.1 0.2 1 188 26 26 GLN CG C 33.4 0.2 1 189 26 26 GLN CD C 180.2 0.2 1 190 26 26 GLN N N 122.7 0.2 1 191 26 26 GLN NE2 N 112 0.2 1 192 27 27 VAL H H 8.33 0.02 1 193 27 27 VAL HA H 3.68 0.02 1 194 27 27 VAL HB H 2.01 0.02 1 195 27 27 VAL HG1 H 0.88 0.02 2 196 27 27 VAL HG2 H 1.04 0.02 2 197 27 27 VAL C C 179.6 0.2 1 198 27 27 VAL CA C 66.4 0.2 1 199 27 27 VAL CB C 31.7 0.2 1 200 27 27 VAL CG1 C 21.8 0.2 2 201 27 27 VAL CG2 C 23.3 0.2 2 202 27 27 VAL N N 120.7 0.2 1 203 28 28 LEU H H 8.65 0.02 1 204 28 28 LEU HA H 4.13 0.02 1 205 28 28 LEU HB2 H 1.87 0.02 2 206 28 28 LEU HB3 H 1.57 0.02 2 207 28 28 LEU HG H 1.97 0.02 1 208 28 28 LEU HD1 H 0.66 0.02 2 209 28 28 LEU HD2 H 0.85 0.02 2 210 28 28 LEU C C 180.5 0.2 1 211 28 28 LEU CA C 58.2 0.2 1 212 28 28 LEU CB C 41.8 0.2 1 213 28 28 LEU CG C 26.8 0.2 1 214 28 28 LEU CD1 C 27 0.2 2 215 28 28 LEU CD2 C 23.4 0.2 2 216 28 28 LEU N N 117.5 0.2 1 217 29 29 THR H H 8.45 0.02 1 218 29 29 THR HA H 3.96 0.02 1 219 29 29 THR HB H 4.35 0.02 1 220 29 29 THR HG2 H 1.22 0.02 1 221 29 29 THR C C 176.5 0.2 1 222 29 29 THR CA C 67 0.2 1 223 29 29 THR CB C 68.8 0.2 1 224 29 29 THR CG2 C 20.8 0.2 1 225 29 29 THR N N 118 0.2 1 226 30 30 GLU H H 8.29 0.02 1 227 30 30 GLU HA H 3.98 0.02 1 228 30 30 GLU HB2 H 2.08 0.02 2 229 30 30 GLU HB3 H 2.05 0.02 2 230 30 30 GLU HG2 H 2.49 0.02 2 231 30 30 GLU HG3 H 2.3 0.02 2 232 30 30 GLU C C 178.3 0.2 1 233 30 30 GLU CA C 58.9 0.2 1 234 30 30 GLU CB C 29.5 0.2 1 235 30 30 GLU CG C 36.7 0.2 1 236 30 30 GLU N N 121.4 0.2 1 237 31 31 ALA H H 7.85 0.02 1 238 31 31 ALA HA H 4.16 0.02 1 239 31 31 ALA HB H 1.53 0.02 1 240 31 31 ALA C C 180.3 0.2 1 241 31 31 ALA CA C 54.8 0.2 1 242 31 31 ALA CB C 20 0.2 1 243 31 31 ALA N N 119 0.2 1 244 32 32 GLY H H 7.56 0.02 1 245 32 32 GLY HA2 H 3.99 0.02 2 246 32 32 GLY HA3 H 3.92 0.02 2 247 32 32 GLY C C 172.7 0.2 1 248 32 32 GLY CA C 46.6 0.2 1 249 32 32 GLY N N 102.9 0.2 1 250 33 33 SER H H 7.44 0.02 1 251 33 33 SER HA H 4.92 0.02 1 252 33 33 SER HB2 H 3.93 0.02 2 253 33 33 SER HB3 H 3.93 0.02 2 254 33 33 SER CA C 56.6 0.2 1 255 33 33 SER CB C 63.9 0.2 1 256 33 33 SER N N 112.3 0.2 1 257 34 34 PRO HA H 4.72 0.02 1 258 34 34 PRO HB2 H 2.13 0.02 2 259 34 34 PRO HB3 H 1.61 0.02 2 260 34 34 PRO HG2 H 2.1 0.02 2 261 34 34 PRO HG3 H 1.76 0.02 2 262 34 34 PRO HD2 H 3.93 0.02 2 263 34 34 PRO HD3 H 3.57 0.02 2 264 34 34 PRO C C 176.7 0.2 1 265 34 34 PRO CA C 63.5 0.2 1 266 34 34 PRO CB C 32.6 0.2 1 267 34 34 PRO CG C 28.8 0.2 1 268 34 34 PRO CD C 51.1 0.2 1 269 35 35 VAL H H 9.67 0.02 1 270 35 35 VAL HA H 4.31 0.02 1 271 35 35 VAL HB H 1.82 0.02 1 272 35 35 VAL HG1 H 1.01 0.02 2 273 35 35 VAL HG2 H 0.98 0.02 2 274 35 35 VAL C C 175.3 0.2 1 275 35 35 VAL CA C 61.7 0.2 1 276 35 35 VAL CB C 35.7 0.2 1 277 35 35 VAL CG1 C 22 0.2 2 278 35 35 VAL CG2 C 23 0.2 2 279 35 35 VAL N N 125.1 0.2 1 280 36 36 LYS H H 8.85 0.02 1 281 36 36 LYS HA H 4.83 0.02 1 282 36 36 LYS HB2 H 2.27 0.02 2 283 36 36 LYS HB3 H 1.91 0.02 2 284 36 36 LYS HG2 H 1.68 0.02 2 285 36 36 LYS HG3 H 1.68 0.02 2 286 36 36 LYS HD2 H 1.79 0.02 2 287 36 36 LYS HD3 H 1.79 0.02 2 288 36 36 LYS HE2 H 3.04 0.02 2 289 36 36 LYS HE3 H 3.04 0.02 2 290 36 36 LYS C C 179.1 0.2 1 291 36 36 LYS CA C 56.6 0.2 1 292 36 36 LYS CB C 33.4 0.2 1 293 36 36 LYS CG C 25.8 0.2 1 294 36 36 LYS CD C 29.2 0.2 1 295 36 36 LYS CE C 42.2 0.2 1 296 36 36 LYS N N 125.9 0.2 1 297 37 37 LEU H H 9.15 0.02 1 298 37 37 LEU HA H 4.13 0.02 1 299 37 37 LEU HB2 H 2.19 0.02 2 300 37 37 LEU HB3 H 1.82 0.02 2 301 37 37 LEU HG H 1.69 0.02 1 302 37 37 LEU HD1 H 0.9 0.02 2 303 37 37 LEU HD2 H 1.15 0.02 2 304 37 37 LEU C C 177.9 0.2 1 305 37 37 LEU CA C 58.7 0.2 1 306 37 37 LEU CB C 42.4 0.2 1 307 37 37 LEU CG C 27.3 0.2 1 308 37 37 LEU CD1 C 23.7 0.2 2 309 37 37 LEU CD2 C 26.2 0.2 2 310 37 37 LEU N N 124.4 0.2 1 311 38 38 ALA H H 8.85 0.02 1 312 38 38 ALA HA H 4.04 0.02 1 313 38 38 ALA HB H 1.5 0.02 1 314 38 38 ALA C C 180.3 0.2 1 315 38 38 ALA CA C 55.7 0.2 1 316 38 38 ALA CB C 18.7 0.2 1 317 38 38 ALA N N 117.4 0.2 1 318 39 39 GLN H H 7.36 0.02 1 319 39 39 GLN HA H 4.26 0.02 1 320 39 39 GLN HB2 H 2.31 0.02 2 321 39 39 GLN HB3 H 2.2 0.02 2 322 39 39 GLN HG2 H 2.49 0.02 2 323 39 39 GLN HG3 H 2.41 0.02 2 324 39 39 GLN HE21 H 7.99 0.02 2 325 39 39 GLN HE22 H 6.93 0.02 2 326 39 39 GLN C C 178.2 0.2 1 327 39 39 GLN CA C 58.2 0.2 1 328 39 39 GLN CB C 28.2 0.2 1 329 39 39 GLN CG C 33.5 0.2 1 330 39 39 GLN CD C 179.4 0.2 1 331 39 39 GLN N N 117.2 0.2 1 332 39 39 GLN NE2 N 112.5 0.2 1 333 40 40 LEU H H 7.77 0.02 1 334 40 40 LEU HA H 3.98 0.02 1 335 40 40 LEU HB2 H 2.17 0.02 2 336 40 40 LEU HB3 H 1.38 0.02 2 337 40 40 LEU HG H 1.69 0.02 1 338 40 40 LEU HD1 H 0.76 0.02 2 339 40 40 LEU HD2 H 0.74 0.02 2 340 40 40 LEU C C 178.6 0.2 1 341 40 40 LEU CA C 58.9 0.2 1 342 40 40 LEU CB C 42.2 0.2 1 343 40 40 LEU CG C 27.2 0.2 1 344 40 40 LEU CD1 C 26.4 0.2 2 345 40 40 LEU CD2 C 24.3 0.2 2 346 40 40 LEU N N 120.8 0.2 1 347 41 41 VAL H H 8.6 0.02 1 348 41 41 VAL HA H 3.8 0.02 1 349 41 41 VAL HB H 2.15 0.02 1 350 41 41 VAL HG1 H 1 0.02 2 351 41 41 VAL HG2 H 1.03 0.02 2 352 41 41 VAL C C 178.8 0.2 1 353 41 41 VAL CA C 66.1 0.2 1 354 41 41 VAL CB C 32.5 0.2 1 355 41 41 VAL CG1 C 20.6 0.2 2 356 41 41 VAL CG2 C 23 0.2 2 357 41 41 VAL N N 120.7 0.2 1 358 42 42 LYS H H 7.03 0.02 1 359 42 42 LYS HA H 4.07 0.02 1 360 42 42 LYS HB2 H 2 0.02 2 361 42 42 LYS HB3 H 2 0.02 2 362 42 42 LYS HG2 H 1.57 0.02 2 363 42 42 LYS HG3 H 1.43 0.02 2 364 42 42 LYS HD2 H 1.73 0.02 2 365 42 42 LYS HD3 H 1.73 0.02 2 366 42 42 LYS HE2 H 3.03 0.02 2 367 42 42 LYS HE3 H 3.03 0.02 2 368 42 42 LYS C C 179.4 0.2 1 369 42 42 LYS CA C 59.3 0.2 1 370 42 42 LYS CB C 33 0.2 1 371 42 42 LYS CG C 24.9 0.2 1 372 42 42 LYS CD C 29.5 0.2 1 373 42 42 LYS CE C 42.2 0.2 1 374 42 42 LYS N N 118.2 0.2 1 375 43 43 GLU H H 8.53 0.02 1 376 43 43 GLU HA H 4.27 0.02 1 377 43 43 GLU HB2 H 2.23 0.02 2 378 43 43 GLU HB3 H 1.89 0.02 2 379 43 43 GLU HG2 H 2.43 0.02 2 380 43 43 GLU HG3 H 2.43 0.02 2 381 43 43 GLU C C 179.2 0.2 1 382 43 43 GLU CA C 58.8 0.2 1 383 43 43 GLU CB C 31.2 0.2 1 384 43 43 GLU CG C 36.2 0.2 1 385 43 43 GLU N N 116.1 0.2 1 386 44 44 CYS H H 8.74 0.02 1 387 44 44 CYS HA H 4.27 0.02 1 388 44 44 CYS HB2 H 2.92 0.02 2 389 44 44 CYS HB3 H 2.7 0.02 2 390 44 44 CYS C C 173.5 0.2 1 391 44 44 CYS CA C 60.2 0.2 1 392 44 44 CYS CB C 28.1 0.2 1 393 44 44 CYS N N 113.6 0.2 1 394 45 45 GLN H H 7.63 0.02 1 395 45 45 GLN HA H 3.89 0.02 1 396 45 45 GLN HB2 H 2.21 0.02 2 397 45 45 GLN HB3 H 2.14 0.02 2 398 45 45 GLN HG2 H 2.31 0.02 2 399 45 45 GLN HG3 H 2.21 0.02 2 400 45 45 GLN HE21 H 7.69 0.02 2 401 45 45 GLN HE22 H 6.83 0.02 2 402 45 45 GLN C C 173.5 0.2 1 403 45 45 GLN CA C 56.5 0.2 1 404 45 45 GLN CB C 26.3 0.2 1 405 45 45 GLN CG C 34.3 0.2 1 406 45 45 GLN N N 114.9 0.2 1 407 45 45 GLN NE2 N 113 0.2 1 408 46 46 ALA H H 7.3 0.02 1 409 46 46 ALA HA H 4.89 0.02 1 410 46 46 ALA HB H 1.14 0.02 1 411 46 46 ALA CA C 49.1 0.2 1 412 46 46 ALA CB C 21.9 0.2 1 413 46 46 ALA N N 120.4 0.2 1 414 47 47 PRO HA H 4.56 0.02 1 415 47 47 PRO HB2 H 2.45 0.02 2 416 47 47 PRO HB3 H 2.07 0.02 2 417 47 47 PRO HG2 H 2.05 0.02 2 418 47 47 PRO HG3 H 2.05 0.02 2 419 47 47 PRO HD2 H 3.76 0.02 2 420 47 47 PRO HD3 H 3.76 0.02 2 421 47 47 PRO C C 177.6 0.2 1 422 47 47 PRO CA C 61.9 0.2 1 423 47 47 PRO CB C 33 0.2 1 424 47 47 PRO CG C 27.9 0.2 1 425 47 47 PRO CD C 50.3 0.2 1 426 48 48 LYS H H 8.76 0.02 1 427 48 48 LYS HA H 3.68 0.02 1 428 48 48 LYS HB2 H 1.91 0.02 2 429 48 48 LYS HB3 H 1.82 0.02 2 430 48 48 LYS HG2 H 1.53 0.02 2 431 48 48 LYS HG3 H 1.34 0.02 2 432 48 48 LYS HD2 H 1.76 0.02 2 433 48 48 LYS HD3 H 1.76 0.02 2 434 48 48 LYS HE2 H 3.04 0.02 2 435 48 48 LYS HE3 H 2.96 0.02 2 436 48 48 LYS C C 177.4 0.2 1 437 48 48 LYS CA C 61 0.2 1 438 48 48 LYS CB C 32.9 0.2 1 439 48 48 LYS CG C 25.5 0.2 1 440 48 48 LYS CD C 29.9 0.2 1 441 48 48 LYS CE C 41.9 0.2 1 442 48 48 LYS N N 121.8 0.2 1 443 49 49 ARG H H 8.73 0.02 1 444 49 49 ARG HA H 4.14 0.02 1 445 49 49 ARG HB2 H 1.95 0.02 2 446 49 49 ARG HB3 H 1.77 0.02 2 447 49 49 ARG HG2 H 1.71 0.02 2 448 49 49 ARG HG3 H 1.58 0.02 2 449 49 49 ARG HD2 H 3.22 0.02 2 450 49 49 ARG HD3 H 3.22 0.02 2 451 49 49 ARG HE H 7.55 0.02 1 452 49 49 ARG C C 178.7 0.2 1 453 49 49 ARG CA C 59.7 0.2 1 454 49 49 ARG CB C 29.9 0.2 1 455 49 49 ARG CG C 27.2 0.2 1 456 49 49 ARG CD C 43.4 0.2 1 457 49 49 ARG N N 116.4 0.2 1 458 49 49 ARG NE N 83.6 0.2 1 459 50 50 GLU H H 7.08 0.02 1 460 50 50 GLU HA H 4.06 0.02 1 461 50 50 GLU HB2 H 1.97 0.02 2 462 50 50 GLU HB3 H 1.97 0.02 2 463 50 50 GLU HG2 H 2.27 0.02 2 464 50 50 GLU HG3 H 2.15 0.02 2 465 50 50 GLU C C 178.8 0.2 1 466 50 50 GLU CA C 59.1 0.2 1 467 50 50 GLU CB C 30.3 0.2 1 468 50 50 GLU CG C 36.7 0.2 1 469 50 50 GLU N N 119.2 0.2 1 470 51 51 LEU H H 8.09 0.02 1 471 51 51 LEU HA H 3.74 0.02 1 472 51 51 LEU HB2 H 1.6 0.02 2 473 51 51 LEU HB3 H 1.21 0.02 2 474 51 51 LEU HG H 1.45 0.02 1 475 51 51 LEU HD1 H 0.7 0.02 2 476 51 51 LEU HD2 H 0.68 0.02 2 477 51 51 LEU C C 178.4 0.2 1 478 51 51 LEU CA C 58.2 0.2 1 479 51 51 LEU CB C 42.3 0.2 1 480 51 51 LEU CG C 27.3 0.2 1 481 51 51 LEU CD1 C 26.9 0.2 2 482 51 51 LEU CD2 C 25.5 0.2 2 483 51 51 LEU N N 118.9 0.2 1 484 52 52 ASN H H 8.76 0.02 1 485 52 52 ASN HA H 4.55 0.02 1 486 52 52 ASN HB2 H 2.86 0.02 2 487 52 52 ASN HB3 H 2.78 0.02 2 488 52 52 ASN HD21 H 7.36 0.02 2 489 52 52 ASN HD22 H 6.51 0.02 2 490 52 52 ASN C C 177.6 0.2 1 491 52 52 ASN CA C 56 0.2 1 492 52 52 ASN CB C 38.1 0.2 1 493 52 52 ASN CG C 174.2 0.2 1 494 52 52 ASN N N 116 0.2 1 495 52 52 ASN ND2 N 107.8 0.2 1 496 53 53 GLN H H 7.41 0.02 1 497 53 53 GLN HA H 4.09 0.02 1 498 53 53 GLN HB2 H 2.27 0.02 2 499 53 53 GLN HB3 H 2.2 0.02 2 500 53 53 GLN HG2 H 2.58 0.02 2 501 53 53 GLN HG3 H 2.44 0.02 2 502 53 53 GLN HE21 H 7.53 0.02 2 503 53 53 GLN HE22 H 6.86 0.02 2 504 53 53 GLN C C 179 0.2 1 505 53 53 GLN CA C 59.4 0.2 1 506 53 53 GLN CB C 28.5 0.2 1 507 53 53 GLN CG C 34.1 0.2 1 508 53 53 GLN CD C 180 0.2 1 509 53 53 GLN N N 117.5 0.2 1 510 53 53 GLN NE2 N 111.7 0.2 1 511 54 54 VAL H H 7.44 0.02 1 512 54 54 VAL HA H 3.66 0.02 1 513 54 54 VAL HB H 1.94 0.02 1 514 54 54 VAL HG1 H 0.84 0.02 2 515 54 54 VAL HG2 H 1.07 0.02 2 516 54 54 VAL C C 177.7 0.2 1 517 54 54 VAL CA C 66.5 0.2 1 518 54 54 VAL CB C 32 0.2 1 519 54 54 VAL CG1 C 22.7 0.2 2 520 54 54 VAL CG2 C 23.3 0.2 2 521 54 54 VAL N N 120.1 0.2 1 522 55 55 LEU H H 8.81 0.02 1 523 55 55 LEU HA H 3.41 0.02 1 524 55 55 LEU HB2 H 1.08 0.02 2 525 55 55 LEU HB3 H -0.77 0.02 2 526 55 55 LEU HG H 1.07 0.02 1 527 55 55 LEU HD1 H -0.34 0.02 2 528 55 55 LEU HD2 H -0.06 0.02 2 529 55 55 LEU C C 178.8 0.2 1 530 55 55 LEU CA C 58.4 0.2 1 531 55 55 LEU CB C 40.4 0.2 1 532 55 55 LEU CG C 26.6 0.2 1 533 55 55 LEU CD1 C 24.6 0.2 2 534 55 55 LEU CD2 C 22.6 0.2 2 535 55 55 LEU N N 122.1 0.2 1 536 56 56 TYR H H 8.29 0.02 1 537 56 56 TYR HA H 4.15 0.02 1 538 56 56 TYR HB2 H 3.08 0.02 2 539 56 56 TYR HB3 H 3.08 0.02 2 540 56 56 TYR HD1 H 7.53 0.02 3 541 56 56 TYR HD2 H 7.53 0.02 3 542 56 56 TYR HE1 H 6.98 0.02 3 543 56 56 TYR HE2 H 6.98 0.02 3 544 56 56 TYR C C 179.4 0.2 1 545 56 56 TYR CA C 63.5 0.2 1 546 56 56 TYR CB C 37.2 0.2 1 547 56 56 TYR CD1 C 133.2 0.2 3 548 56 56 TYR CD2 C 133.2 0.2 3 549 56 56 TYR CE1 C 118 0.2 3 550 56 56 TYR CE2 C 118 0.2 3 551 56 56 TYR N N 115 0.2 1 552 57 57 ARG H H 7.4 0.02 1 553 57 57 ARG HA H 4.2 0.02 1 554 57 57 ARG HB2 H 2.09 0.02 2 555 57 57 ARG HB3 H 1.93 0.02 2 556 57 57 ARG HG2 H 1.73 0.02 2 557 57 57 ARG HG3 H 1.59 0.02 2 558 57 57 ARG HD2 H 3.2 0.02 2 559 57 57 ARG HD3 H 3.2 0.02 2 560 57 57 ARG HE H 7.98 0.02 1 561 57 57 ARG C C 178.6 0.2 1 562 57 57 ARG CA C 60.2 0.2 1 563 57 57 ARG CB C 28.9 0.2 1 564 57 57 ARG CG C 27.1 0.2 1 565 57 57 ARG CD C 43 0.2 1 566 57 57 ARG CZ C 159.8 0.2 1 567 57 57 ARG N N 123.2 0.2 1 568 57 57 ARG NE N 85.6 0.2 1 569 58 58 MET H H 8.71 0.02 1 570 58 58 MET HA H 4 0.02 1 571 58 58 MET HB2 H 2.14 0.02 2 572 58 58 MET HB3 H 2.03 0.02 2 573 58 58 MET HG2 H 2.78 0.02 2 574 58 58 MET HG3 H 2.14 0.02 2 575 58 58 MET HE H 1.89 0.02 1 576 58 58 MET C C 178.7 0.2 1 577 58 58 MET CA C 59.6 0.2 1 578 58 58 MET CB C 35.4 0.2 1 579 58 58 MET CG C 32.5 0.2 1 580 58 58 MET CE C 17.5 0.2 1 581 58 58 MET N N 119.1 0.2 1 582 59 59 LYS H H 8.87 0.02 1 583 59 59 LYS HA H 4.46 0.02 1 584 59 59 LYS HB2 H 2.25 0.02 2 585 59 59 LYS HB3 H 2.09 0.02 2 586 59 59 LYS HG2 H 1.7 0.02 2 587 59 59 LYS HG3 H 1.66 0.02 2 588 59 59 LYS HD2 H 1.86 0.02 2 589 59 59 LYS HD3 H 1.86 0.02 2 590 59 59 LYS HE2 H 3.18 0.02 2 591 59 59 LYS HE3 H 3.18 0.02 2 592 59 59 LYS C C 180.9 0.2 1 593 59 59 LYS CA C 59.2 0.2 1 594 59 59 LYS CB C 33.4 0.2 1 595 59 59 LYS CG C 24.5 0.2 1 596 59 59 LYS CD C 30.2 0.2 1 597 59 59 LYS CE C 42 0.2 1 598 59 59 LYS N N 123.1 0.2 1 599 60 60 LYS H H 7.69 0.02 1 600 60 60 LYS HA H 4.23 0.02 1 601 60 60 LYS HB2 H 2.21 0.02 2 602 60 60 LYS HB3 H 2.14 0.02 2 603 60 60 LYS HG2 H 1.7 0.02 2 604 60 60 LYS HG3 H 1.58 0.02 2 605 60 60 LYS HD2 H 1.79 0.02 2 606 60 60 LYS HD3 H 1.79 0.02 2 607 60 60 LYS HE2 H 3.06 0.02 2 608 60 60 LYS HE3 H 3.06 0.02 2 609 60 60 LYS C C 178.2 0.2 1 610 60 60 LYS CA C 59.4 0.2 1 611 60 60 LYS CB C 32 0.2 1 612 60 60 LYS CG C 25.1 0.2 1 613 60 60 LYS CD C 29.5 0.2 1 614 60 60 LYS CE C 42.2 0.2 1 615 60 60 LYS N N 123.7 0.2 1 616 61 61 GLU H H 7.56 0.02 1 617 61 61 GLU HA H 4.22 0.02 1 618 61 61 GLU HB2 H 2.29 0.02 2 619 61 61 GLU HB3 H 2.07 0.02 2 620 61 61 GLU HG2 H 2.55 0.02 2 621 61 61 GLU HG3 H 2.23 0.02 2 622 61 61 GLU C C 175.1 0.2 1 623 61 61 GLU CA C 56.2 0.2 1 624 61 61 GLU CB C 30 0.2 1 625 61 61 GLU CG C 36.5 0.2 1 626 61 61 GLU N N 116.1 0.2 1 627 62 62 LEU H H 7.98 0.02 1 628 62 62 LEU HA H 4.21 0.02 1 629 62 62 LEU HB2 H 2.21 0.02 2 630 62 62 LEU HB3 H 1.67 0.02 2 631 62 62 LEU HG H 1.51 0.02 1 632 62 62 LEU HD1 H 0.95 0.02 2 633 62 62 LEU HD2 H 0.94 0.02 2 634 62 62 LEU C C 176.5 0.2 1 635 62 62 LEU CA C 56.3 0.2 1 636 62 62 LEU CB C 37.9 0.2 1 637 62 62 LEU CG C 27.3 0.2 1 638 62 62 LEU CD1 C 25.6 0.2 2 639 62 62 LEU CD2 C 23.1 0.2 2 640 62 62 LEU N N 114 0.2 1 641 63 63 LYS H H 8.37 0.02 1 642 63 63 LYS HA H 4.26 0.02 1 643 63 63 LYS HB2 H 1.85 0.02 2 644 63 63 LYS HB3 H 1.62 0.02 2 645 63 63 LYS HG2 H 1.45 0.02 2 646 63 63 LYS HG3 H 1.45 0.02 2 647 63 63 LYS HD2 H 1.68 0.02 2 648 63 63 LYS HD3 H 1.59 0.02 2 649 63 63 LYS HE2 H 3.01 0.02 2 650 63 63 LYS HE3 H 2.84 0.02 2 651 63 63 LYS C C 178 0.2 1 652 63 63 LYS CA C 58 0.2 1 653 63 63 LYS CB C 36.2 0.2 1 654 63 63 LYS CG C 26.3 0.2 1 655 63 63 LYS CD C 30.8 0.2 1 656 63 63 LYS CE C 42.3 0.2 1 657 63 63 LYS N N 115.3 0.2 1 658 64 64 VAL H H 7.05 0.02 1 659 64 64 VAL HA H 5.17 0.02 1 660 64 64 VAL HB H 2.41 0.02 1 661 64 64 VAL HG1 H 0.73 0.02 2 662 64 64 VAL HG2 H 0.69 0.02 2 663 64 64 VAL C C 174.3 0.2 1 664 64 64 VAL CA C 58.4 0.2 1 665 64 64 VAL CB C 36.5 0.2 1 666 64 64 VAL CG1 C 23.3 0.2 2 667 64 64 VAL CG2 C 19.8 0.2 2 668 64 64 VAL N N 107.1 0.2 1 669 65 65 SER H H 9.12 0.02 1 670 65 65 SER HA H 4.74 0.02 1 671 65 65 SER HB2 H 3.68 0.02 2 672 65 65 SER HB3 H 3.57 0.02 2 673 65 65 SER C C 171.4 0.2 1 674 65 65 SER CA C 57.5 0.2 1 675 65 65 SER CB C 66.3 0.2 1 676 65 65 SER N N 114.6 0.2 1 677 66 66 LEU H H 8.16 0.02 1 678 66 66 LEU HA H 4.27 0.02 1 679 66 66 LEU HB2 H 1.24 0.02 2 680 66 66 LEU HB3 H 0.38 0.02 2 681 66 66 LEU HG H 0.54 0.02 1 682 66 66 LEU HD1 H -0.03 0.02 2 683 66 66 LEU HD2 H 0.33 0.02 2 684 66 66 LEU C C 177.6 0.2 1 685 66 66 LEU CA C 53.4 0.2 1 686 66 66 LEU CB C 43.2 0.2 1 687 66 66 LEU CG C 26.4 0.2 1 688 66 66 LEU CD1 C 23.6 0.2 2 689 66 66 LEU CD2 C 25.6 0.2 2 690 66 66 LEU N N 125.8 0.2 1 691 67 67 THR H H 8.22 0.02 1 692 67 67 THR HA H 4.08 0.02 1 693 67 67 THR HB H 4.03 0.02 1 694 67 67 THR HG2 H 0.98 0.02 1 695 67 67 THR C C 174.7 0.2 1 696 67 67 THR CA C 63.4 0.2 1 697 67 67 THR CB C 68.2 0.2 1 698 67 67 THR CG2 C 23.2 0.2 1 699 67 67 THR N N 119.2 0.2 1 700 68 68 SER H H 8.06 0.02 1 701 68 68 SER HA H 4.48 0.02 1 702 68 68 SER HB2 H 3.94 0.02 2 703 68 68 SER HB3 H 3.84 0.02 2 704 68 68 SER CA C 57.6 0.2 1 705 68 68 SER CB C 62 0.2 1 706 68 68 SER N N 118.1 0.2 1 707 69 69 PRO HA H 4.09 0.02 1 708 69 69 PRO HB2 H 2.24 0.02 2 709 69 69 PRO HB3 H 1.81 0.02 2 710 69 69 PRO HG2 H 2.15 0.02 2 711 69 69 PRO HG3 H 1.92 0.02 2 712 69 69 PRO HD2 H 3.72 0.02 2 713 69 69 PRO HD3 H 3.56 0.02 2 714 69 69 PRO C C 177.7 0.2 1 715 69 69 PRO CA C 66.1 0.2 1 716 69 69 PRO CB C 30.9 0.2 1 717 69 69 PRO CG C 28.3 0.2 1 718 69 69 PRO CD C 49.9 0.2 1 719 70 70 ALA H H 8.92 0.02 1 720 70 70 ALA HA H 4.08 0.02 1 721 70 70 ALA HB H 1.63 0.02 1 722 70 70 ALA C C 174.5 0.2 1 723 70 70 ALA CA C 53.1 0.2 1 724 70 70 ALA CB C 18.8 0.2 1 725 70 70 ALA N N 126.1 0.2 1 726 71 71 THR H H 7.74 0.02 1 727 71 71 THR HA H 4.77 0.02 1 728 71 71 THR HB H 3.73 0.02 1 729 71 71 THR HG2 H 0.88 0.02 1 730 71 71 THR C C 171.6 0.2 1 731 71 71 THR CA C 63.4 0.2 1 732 71 71 THR CB C 70 0.2 1 733 71 71 THR CG2 C 21.2 0.2 1 734 71 71 THR N N 115.8 0.2 1 735 72 72 TRP H H 8.75 0.02 1 736 72 72 TRP HA H 5.4 0.02 1 737 72 72 TRP HB2 H 3.03 0.02 2 738 72 72 TRP HB3 H 2.74 0.02 2 739 72 72 TRP HD1 H 6.69 0.02 1 740 72 72 TRP HE1 H 10.2 0.02 1 741 72 72 TRP HE3 H 7.11 0.02 1 742 72 72 TRP HZ2 H 7.16 0.02 1 743 72 72 TRP HZ3 H 6.37 0.02 1 744 72 72 TRP HH2 H 5.76 0.02 1 745 72 72 TRP C C 175 0.2 1 746 72 72 TRP CA C 56.2 0.2 1 747 72 72 TRP CB C 33.5 0.2 1 748 72 72 TRP CD1 C 124.7 0.2 1 749 72 72 TRP CZ2 C 116.1 0.2 1 750 72 72 TRP CZ3 C 121.3 0.2 1 751 72 72 TRP CH2 C 123.1 0.2 1 752 72 72 TRP N N 126.4 0.2 1 753 72 72 TRP NE1 N 128.5 0.2 1 754 73 73 CYS H H 9.44 0.02 1 755 73 73 CYS HA H 5.04 0.02 1 756 73 73 CYS HB2 H 2.82 0.02 2 757 73 73 CYS HB3 H 2.56 0.02 2 758 73 73 CYS C C 173 0.2 1 759 73 73 CYS CA C 56.3 0.2 1 760 73 73 CYS CB C 32.1 0.2 1 761 73 73 CYS N N 117.7 0.2 1 762 74 74 LEU H H 8.38 0.02 1 763 74 74 LEU HA H 4.22 0.02 1 764 74 74 LEU HB2 H 1.72 0.02 2 765 74 74 LEU HB3 H 1.47 0.02 2 766 74 74 LEU HG H 1.67 0.02 1 767 74 74 LEU HD1 H 0.96 0.02 2 768 74 74 LEU HD2 H 0.95 0.02 2 769 74 74 LEU C C 177.2 0.2 1 770 74 74 LEU CA C 56.6 0.2 1 771 74 74 LEU CB C 43.2 0.2 1 772 74 74 LEU CG C 27 0.2 1 773 74 74 LEU CD1 C 24.9 0.2 2 774 74 74 LEU CD2 C 25.1 0.2 2 775 74 74 LEU N N 124.1 0.2 1 776 75 75 GLY H H 7.93 0.02 1 777 75 75 GLY HA2 H 3.94 0.02 2 778 75 75 GLY HA3 H 3.72 0.02 2 779 75 75 GLY C C 173.1 0.2 1 780 75 75 GLY CA C 44.6 0.2 1 781 75 75 GLY N N 112.3 0.2 1 782 76 76 GLY H H 8.13 0.02 1 783 76 76 GLY HA2 H 3.97 0.02 2 784 76 76 GLY HA3 H 3.77 0.02 2 785 76 76 GLY C C 173.9 0.2 1 786 76 76 GLY CA C 45.2 0.2 1 787 76 76 GLY N N 108.3 0.2 1 788 77 77 THR H H 8.02 0.02 1 789 77 77 THR HA H 4.37 0.02 1 790 77 77 THR HB H 4.14 0.02 1 791 77 77 THR HG2 H 1.15 0.02 1 792 77 77 THR C C 173.8 0.2 1 793 77 77 THR CA C 61.5 0.2 1 794 77 77 THR CB C 70.4 0.2 1 795 77 77 THR CG2 C 21.3 0.2 1 796 77 77 THR N N 113.4 0.2 1 797 78 78 ASP H H 8.44 0.02 1 798 78 78 ASP HA H 4.87 0.02 1 799 78 78 ASP HB2 H 2.73 0.02 2 800 78 78 ASP HB3 H 2.5 0.02 2 801 78 78 ASP CA C 52.8 0.2 1 802 78 78 ASP CB C 40.9 0.2 1 803 78 78 ASP N N 124.6 0.2 1 804 79 79 PRO HA H 4.44 0.02 1 805 79 79 PRO HB2 H 2.27 0.02 2 806 79 79 PRO HB3 H 2.01 0.02 2 807 79 79 PRO HG2 H 2.03 0.02 2 808 79 79 PRO HG3 H 2.03 0.02 2 809 79 79 PRO HD2 H 3.76 0.02 2 810 79 79 PRO HD3 H 3.76 0.02 2 811 79 79 PRO C C 176.1 0.2 1 812 79 79 PRO CA C 63.4 0.2 1 813 79 79 PRO CB C 32.2 0.2 1 814 79 79 PRO CG C 27.3 0.2 1 815 79 79 PRO CD C 50.7 0.2 1 816 80 80 GLU H H 8.02 0.02 1 817 80 80 GLU HA H 4.08 0.02 1 818 80 80 GLU HB2 H 2.03 0.02 2 819 80 80 GLU HB3 H 1.89 0.02 2 820 80 80 GLU HG2 H 2.23 0.02 2 821 80 80 GLU HG3 H 2.23 0.02 2 822 80 80 GLU CA C 58.3 0.2 1 823 80 80 GLU CB C 31.2 0.2 1 824 80 80 GLU CG C 36.8 0.2 1 825 80 80 GLU N N 126 0.2 1 stop_ save_