data_19331 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Zinc finger protein Eos from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7992A ; _BMRB_accession_number 19331 _BMRB_flat_file_name bmr19331.str _Entry_type original _Submission_date 2013-06-28 _Accession_date 2013-06-28 _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 Pulavarti 'Surya VSRK' . . 2 Mills Jeffrey L. . 3 Wang Dongyan . . 4 Kohan Eitan . . 5 Hamilton Keith . . 6 Xiao Rong . . 7 Everett John K. . 8 Acton Thomas B. . 9 Montelione Gaetano . . 10 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 375 "13C chemical shifts" 265 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-03 original author . stop_ _Original_release_date 2013-09-03 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Zinc finger protein Eos from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7992A' _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 Pulavarti 'Surya VSRK' . . 2 Mills Jeffrey L. . 3 Wang Dongyan . . 4 Kohan Eitan . . 5 Hamilton Keith . . 6 Xiao Rong . . 7 Everett John K. . 8 Acton Thomas B. . 9 Montelione Gaetano . . 10 Szyperski Thomas . . 11 NESG NESG . . stop_ _Journal_abbreviation 'To be published' _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 HR7992A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR7992A $HR7992A 'ZINC ION' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR7992A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR7992A _Molecular_mass 8322.126 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MGHHHHHHSHMPNGKLKCDV CGMVCIGPNVLMVHKRSHTG ERPFHCNQCGASFTQKGNLL RHIKLHSGEKPFKX ; 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 PRO 13 ASN 14 GLY 15 LYS 16 LEU 17 LYS 18 CYS 19 ASP 20 VAL 21 CYS 22 GLY 23 MET 24 VAL 25 CYS 26 ILE 27 GLY 28 PRO 29 ASN 30 VAL 31 LEU 32 MET 33 VAL 34 HIS 35 LYS 36 ARG 37 SER 38 HIS 39 THR 40 GLY 41 GLU 42 ARG 43 PRO 44 PHE 45 HIS 46 CYS 47 ASN 48 GLN 49 CYS 50 GLY 51 ALA 52 SER 53 PHE 54 THR 55 GLN 56 LYS 57 GLY 58 ASN 59 LEU 60 LEU 61 ARG 62 HIS 63 ILE 64 LYS 65 LEU 66 HIS 67 SER 68 GLY 69 GLU 70 LYS 71 PRO 72 PHE 73 LYS 74 X stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2MA7 "Solution Nmr Structure Of Zinc Finger Protein Eos From Homo Sapiens, Northeast Structural Genomics Consortium (nesg) Target Hr7" 98.65 73 100.00 100.00 5.47e-44 DBJ BAC33191 "unnamed protein product [Mus musculus]" 85.14 526 98.41 100.00 1.17e-35 DBJ BAG37131 "unnamed protein product [Homo sapiens]" 85.14 483 98.41 100.00 6.14e-35 DBJ BAG63014 "unnamed protein product [Homo sapiens]" 85.14 532 98.41 100.00 1.93e-35 DBJ BAI46179 "Zinc finger protein Helios [synthetic construct]" 85.14 532 98.41 100.00 1.93e-35 EMBL CAC59948 "lymphoid transcription factor [Gallus gallus]" 85.14 563 98.41 100.00 7.54e-36 EMBL CAH92275 "hypothetical protein [Pongo abelii]" 85.14 526 98.41 100.00 1.71e-35 GB AAC00513 "multi-zinc finger protein helios [Mus musculus]" 85.14 526 98.41 100.00 1.19e-35 GB AAF09441 "zinc finger DNA binding protein Helios [Homo sapiens]" 85.14 526 98.41 100.00 1.61e-35 GB AAG39221 "zinc finger transcription factor Eos [Homo sapiens]" 85.14 483 98.41 100.00 5.73e-35 GB AAH73084 "LOC443625 protein, partial [Xenopus laevis]" 85.14 514 98.41 100.00 3.68e-36 GB AAI38607 "IKAROS family zinc finger 2 [Mus musculus]" 85.14 526 98.41 100.00 1.17e-35 REF NP_001100386 "zinc finger protein Helios [Rattus norvegicus]" 85.14 313 98.41 100.00 7.30e-36 REF NP_001116930 "zinc finger protein Helios [Xenopus (Silurana) tropicalis]" 85.14 523 98.41 100.00 1.31e-35 REF NP_001126330 "zinc finger protein Helios [Pongo abelii]" 85.14 526 98.41 100.00 1.71e-35 REF NP_001295240 "IKAROS family zinc finger 2 (Helios) [Equus caballus]" 85.14 526 98.41 100.00 1.72e-35 REF NP_035900 "zinc finger protein Helios [Mus musculus]" 85.14 526 98.41 100.00 1.17e-35 SP P81183 "RecName: Full=Zinc finger protein Helios; AltName: Full=Ikaros family zinc finger protein 2" 85.14 526 98.41 100.00 1.17e-35 SP Q9UKS7 "RecName: Full=Zinc finger protein Helios; AltName: Full=Ikaros family zinc finger protein 2" 85.14 526 98.41 100.00 1.58e-35 TPG DAA32460 "TPA: IKAROS family zinc finger 2 (Helios) isoform 1 [Bos taurus]" 85.14 526 98.41 100.00 1.55e-35 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? 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 $HR7992A human 9606 Eukaryota Metazoa Homo sapiens IKZF4 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 $HR7992A 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM HR7992A.010, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7992A 1.0 mM '[U-100% 13C; U-100% 15N]' DTT 5 mM 'natural abundance' NaCl 100 mM 'natural abundance' 'Tris-HCl pH 7.5' 10 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details HR7992A.011 loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR7992A 1 mM '[5% 13C; U-100% 15N]' 'Tris-HCl pH 7.5' 10 mM 'natural abundance' NaCl 100 mM 'natural abundance' NaN3 0.02 mM 'natural abundance' DTT 5 mM 'natural abundance' 'ZINC ION' 4 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection 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_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing 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 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_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C(CT)_Aliphatic_(28_ms)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C(CT) Aliphatic (28 ms)' _Sample_label $sample_2 save_ save_2D_1H-13C(CT)_Aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C(CT) Aliphatic' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_gft43d_hcch_cosy_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'gft43d_hcch_cosy aliphatic' _Sample_label $sample_1 save_ save_gft43d_hcch_cosy_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'gft43d_hcch_cosy aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_(His_longrange)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC (His longrange)' _Sample_label $sample_1 save_ save_2D_1H-13C(CT)HSQC_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C(CT)HSQC aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . 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 '3D HNCO' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' '2D 1H-13C(CT) Aliphatic (28 ms)' '2D 1H-15N HSQC (His longrange)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR7992A _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 12 12 PRO HA H 4.260 0.030 1 2 12 12 PRO HB2 H 2.289 0.030 1 3 12 12 PRO HB3 H 2.289 0.030 1 4 12 12 PRO C C 175.377 0.400 1 5 12 12 PRO CA C 63.385 0.400 1 6 12 12 PRO CB C 32.069 0.400 1 7 13 13 ASN H H 8.001 0.030 1 8 13 13 ASN HA H 4.464 0.030 1 9 13 13 ASN HB2 H 2.727 0.030 1 10 13 13 ASN HB3 H 2.727 0.030 1 11 13 13 ASN HD21 H 6.930 0.030 2 12 13 13 ASN HD22 H 7.601 0.030 2 13 13 13 ASN C C 176.178 0.400 1 14 13 13 ASN CA C 54.834 0.400 1 15 13 13 ASN CB C 41.005 0.400 1 16 13 13 ASN N N 123.885 0.400 1 17 13 13 ASN ND2 N 112.671 0.400 1 18 14 14 GLY H H 8.367 0.030 1 19 14 14 GLY HA2 H 3.906 0.030 1 20 14 14 GLY HA3 H 3.906 0.030 1 21 14 14 GLY C C 174.152 0.400 1 22 14 14 GLY CA C 45.365 0.400 1 23 14 14 GLY N N 113.831 0.400 1 24 15 15 LYS H H 8.200 0.030 1 25 15 15 LYS HA H 4.297 0.030 1 26 15 15 LYS HB2 H 2.067 0.030 2 27 15 15 LYS HB3 H 1.790 0.030 2 28 15 15 LYS HG2 H 1.453 0.030 2 29 15 15 LYS HG3 H 1.615 0.030 2 30 15 15 LYS HD2 H 1.670 0.030 1 31 15 15 LYS HD3 H 1.670 0.030 1 32 15 15 LYS HE2 H 2.975 0.030 1 33 15 15 LYS HE3 H 2.975 0.030 1 34 15 15 LYS C C 176.217 0.400 1 35 15 15 LYS CA C 56.921 0.400 1 36 15 15 LYS CB C 32.804 0.400 1 37 15 15 LYS CG C 24.824 0.400 1 38 15 15 LYS CD C 28.737 0.400 1 39 15 15 LYS CE C 41.936 0.400 1 40 15 15 LYS N N 119.903 0.400 1 41 16 16 LEU H H 8.394 0.030 1 42 16 16 LEU HA H 4.454 0.030 1 43 16 16 LEU HB2 H 1.623 0.030 1 44 16 16 LEU HB3 H 1.623 0.030 1 45 16 16 LEU HG H 1.566 0.030 1 46 16 16 LEU HD1 H 0.742 0.030 1 47 16 16 LEU HD2 H 0.839 0.030 1 48 16 16 LEU C C 173.805 0.400 1 49 16 16 LEU CA C 55.080 0.400 1 50 16 16 LEU CB C 41.852 0.400 1 51 16 16 LEU CG C 26.828 0.400 1 52 16 16 LEU CD1 C 25.365 0.400 1 53 16 16 LEU CD2 C 23.420 0.400 1 54 16 16 LEU N N 122.670 0.400 1 55 17 17 LYS H H 8.026 0.030 1 56 17 17 LYS HA H 4.877 0.030 1 57 17 17 LYS HB2 H 1.509 0.030 2 58 17 17 LYS HB3 H 1.562 0.030 2 59 17 17 LYS HG2 H 1.198 0.030 1 60 17 17 LYS HD2 H 1.590 0.030 1 61 17 17 LYS HD3 H 1.590 0.030 1 62 17 17 LYS HE2 H 3.079 0.030 1 63 17 17 LYS HE3 H 3.079 0.030 1 64 17 17 LYS C C 175.777 0.400 1 65 17 17 LYS CA C 54.489 0.400 1 66 17 17 LYS CB C 35.154 0.400 1 67 17 17 LYS CG C 24.353 0.400 1 68 17 17 LYS CD C 29.340 0.400 1 69 17 17 LYS CE C 41.850 0.400 1 70 17 17 LYS N N 120.445 0.400 1 71 18 18 CYS H H 9.071 0.030 1 72 18 18 CYS HA H 4.227 0.030 1 73 18 18 CYS HB2 H 2.719 0.030 2 74 18 18 CYS HB3 H 3.255 0.030 2 75 18 18 CYS C C 176.551 0.400 1 76 18 18 CYS CA C 60.677 0.400 1 77 18 18 CYS CB C 29.821 0.400 1 78 18 18 CYS N N 127.176 0.400 1 79 19 19 ASP H H 9.137 0.030 1 80 19 19 ASP HA H 4.364 0.030 1 81 19 19 ASP HB2 H 2.803 0.030 1 82 19 19 ASP HB3 H 2.803 0.030 1 83 19 19 ASP C C 175.433 0.400 1 84 19 19 ASP CA C 55.671 0.400 1 85 19 19 ASP CB C 39.613 0.400 1 86 19 19 ASP N N 130.419 0.400 1 87 20 20 VAL H H 9.022 0.030 1 88 20 20 VAL HA H 3.822 0.030 1 89 20 20 VAL HB H 1.338 0.030 1 90 20 20 VAL HG1 H 0.207 0.030 1 91 20 20 VAL HG2 H 0.796 0.030 1 92 20 20 VAL C C 177.009 0.400 1 93 20 20 VAL CA C 65.362 0.400 1 94 20 20 VAL CB C 32.970 0.400 1 95 20 20 VAL CG1 C 19.687 0.400 1 96 20 20 VAL CG2 C 21.125 0.400 1 97 20 20 VAL N N 123.067 0.400 1 98 21 21 CYS H H 8.092 0.030 1 99 21 21 CYS HA H 5.115 0.030 1 100 21 21 CYS HB2 H 3.452 0.030 2 101 21 21 CYS HB3 H 2.657 0.030 2 102 21 21 CYS C C 176.178 0.400 1 103 21 21 CYS CA C 58.067 0.400 1 104 21 21 CYS CB C 33.096 0.400 1 105 21 21 CYS N N 115.484 0.400 1 106 22 22 GLY H H 7.931 0.030 1 107 22 22 GLY HA2 H 4.254 0.030 2 108 22 22 GLY HA3 H 3.740 0.030 2 109 22 22 GLY C C 173.028 0.400 1 110 22 22 GLY CA C 45.741 0.400 1 111 22 22 GLY N N 113.222 0.400 1 112 23 23 MET H H 8.276 0.030 1 113 23 23 MET HA H 4.075 0.030 1 114 23 23 MET HB2 H 2.014 0.030 2 115 23 23 MET HB3 H 1.194 0.030 2 116 23 23 MET HG2 H 2.284 0.030 1 117 23 23 MET HG3 H 2.284 0.030 1 118 23 23 MET C C 174.950 0.400 1 119 23 23 MET CA C 57.226 0.400 1 120 23 23 MET CB C 33.750 0.400 1 121 23 23 MET CG C 31.297 0.400 1 122 23 23 MET N N 122.930 0.400 1 123 24 24 VAL H H 8.466 0.030 1 124 24 24 VAL HA H 4.330 0.030 1 125 24 24 VAL HB H 1.922 0.030 1 126 24 24 VAL HG1 H 0.823 0.030 1 127 24 24 VAL HG2 H 0.968 0.030 1 128 24 24 VAL C C 176.124 0.400 1 129 24 24 VAL CA C 62.581 0.400 1 130 24 24 VAL CB C 31.843 0.400 1 131 24 24 VAL CG1 C 21.429 0.400 1 132 24 24 VAL CG2 C 21.708 0.400 1 133 24 24 VAL N N 126.800 0.400 1 134 25 25 CYS H H 8.720 0.030 1 135 25 25 CYS HA H 4.729 0.030 1 136 25 25 CYS HB2 H 2.716 0.030 2 137 25 25 CYS HB3 H 2.587 0.030 2 138 25 25 CYS HG H 2.245 0.030 1 139 25 25 CYS C C 173.829 0.400 1 140 25 25 CYS CA C 57.510 0.400 1 141 25 25 CYS CB C 31.649 0.400 1 142 25 25 CYS N N 125.377 0.400 1 143 26 26 ILE H H 8.407 0.030 1 144 26 26 ILE HA H 4.170 0.030 1 145 26 26 ILE HB H 1.939 0.030 1 146 26 26 ILE HG12 H 1.224 0.030 2 147 26 26 ILE HG13 H 1.467 0.030 2 148 26 26 ILE HG2 H 0.930 0.030 1 149 26 26 ILE HD1 H 0.857 0.030 1 150 26 26 ILE C C 175.334 0.400 1 151 26 26 ILE CA C 61.946 0.400 1 152 26 26 ILE CB C 37.870 0.400 1 153 26 26 ILE CG1 C 27.368 0.400 1 154 26 26 ILE CG2 C 17.713 0.400 1 155 26 26 ILE CD1 C 13.070 0.400 1 156 26 26 ILE N N 119.435 0.400 1 157 27 27 GLY H H 7.444 0.030 1 158 27 27 GLY HA2 H 4.166 0.030 2 159 27 27 GLY HA3 H 4.405 0.030 2 160 27 27 GLY CA C 44.598 0.400 1 161 27 27 GLY N N 109.455 0.400 1 162 28 28 PRO HA H 4.180 0.030 1 163 28 28 PRO HB2 H 2.324 0.030 2 164 28 28 PRO HB3 H 2.049 0.030 2 165 28 28 PRO HG2 H 2.104 0.030 1 166 28 28 PRO HG3 H 2.104 0.030 1 167 28 28 PRO HD2 H 3.868 0.030 2 168 28 28 PRO HD3 H 3.682 0.030 2 169 28 28 PRO C C 178.526 0.400 1 170 28 28 PRO CA C 65.014 0.400 1 171 28 28 PRO CB C 31.748 0.400 1 172 28 28 PRO CG C 27.333 0.400 1 173 28 28 PRO CD C 50.199 0.400 1 174 29 29 ASN H H 8.722 0.030 1 175 29 29 ASN HA H 4.574 0.030 1 176 29 29 ASN HB2 H 2.921 0.030 2 177 29 29 ASN HB3 H 2.878 0.030 2 178 29 29 ASN HD21 H 7.193 0.030 2 179 29 29 ASN HD22 H 8.091 0.030 2 180 29 29 ASN C C 176.925 0.400 1 181 29 29 ASN CA C 56.454 0.400 1 182 29 29 ASN CB C 37.481 0.400 1 183 29 29 ASN N N 118.871 0.400 1 184 29 29 ASN ND2 N 113.894 0.400 1 185 30 30 VAL H H 7.475 0.030 1 186 30 30 VAL HA H 3.717 0.030 1 187 30 30 VAL HB H 1.975 0.030 1 188 30 30 VAL HG1 H 1.062 0.030 1 189 30 30 VAL HG2 H 1.079 0.030 1 190 30 30 VAL C C 178.526 0.400 1 191 30 30 VAL CA C 65.881 0.400 1 192 30 30 VAL CB C 31.840 0.400 1 193 30 30 VAL CG1 C 21.231 0.400 1 194 30 30 VAL CG2 C 22.559 0.400 1 195 30 30 VAL N N 120.904 0.400 1 196 31 31 LEU H H 7.853 0.030 1 197 31 31 LEU HA H 4.467 0.030 1 198 31 31 LEU HB2 H 1.996 0.030 2 199 31 31 LEU HB3 H 1.290 0.030 2 200 31 31 LEU HG H 1.633 0.030 1 201 31 31 LEU HD1 H 0.826 0.030 1 202 31 31 LEU HD2 H 0.748 0.030 1 203 31 31 LEU C C 177.379 0.400 1 204 31 31 LEU CA C 58.102 0.400 1 205 31 31 LEU CB C 41.367 0.400 1 206 31 31 LEU CG C 26.375 0.400 1 207 31 31 LEU CD1 C 25.197 0.400 1 208 31 31 LEU CD2 C 22.968 0.400 1 209 31 31 LEU N N 120.665 0.400 1 210 32 32 MET H H 7.974 0.030 1 211 32 32 MET HA H 4.099 0.030 1 212 32 32 MET HB2 H 2.251 0.030 1 213 32 32 MET HB3 H 2.251 0.030 1 214 32 32 MET HG2 H 2.793 0.030 1 215 32 32 MET HG3 H 2.793 0.030 1 216 32 32 MET C C 178.927 0.400 1 217 32 32 MET CA C 59.015 0.400 1 218 32 32 MET CB C 32.105 0.400 1 219 32 32 MET CG C 31.336 0.400 1 220 32 32 MET N N 117.671 0.400 1 221 33 33 VAL H H 7.747 0.030 1 222 33 33 VAL HA H 3.542 0.030 1 223 33 33 VAL HB H 2.127 0.030 1 224 33 33 VAL HG1 H 0.959 0.030 1 225 33 33 VAL HG2 H 1.086 0.030 1 226 33 33 VAL C C 179.275 0.400 1 227 33 33 VAL CA C 66.653 0.400 1 228 33 33 VAL CB C 31.815 0.400 1 229 33 33 VAL CG1 C 21.232 0.400 1 230 33 33 VAL CG2 C 22.569 0.400 1 231 33 33 VAL N N 119.384 0.400 1 232 34 34 HIS H H 8.664 0.030 1 233 34 34 HIS HA H 4.220 0.030 1 234 34 34 HIS HB2 H 3.580 0.030 2 235 34 34 HIS HB3 H 3.280 0.030 2 236 34 34 HIS HD2 H 6.595 0.030 1 237 34 34 HIS HE1 H 8.022 0.030 1 238 34 34 HIS C C 178.486 0.400 1 239 34 34 HIS CA C 59.798 0.400 1 240 34 34 HIS CB C 28.036 0.400 1 241 34 34 HIS CD2 C 126.629 0.400 1 242 34 34 HIS CE1 C 140.208 0.400 1 243 34 34 HIS N N 120.938 0.400 1 244 34 34 HIS ND1 N 170.425 0.400 1 245 34 34 HIS NE2 N 210.412 0.400 1 246 35 35 LYS H H 9.034 0.030 1 247 35 35 LYS HA H 3.716 0.030 1 248 35 35 LYS HB2 H 2.002 0.030 1 249 35 35 LYS HB3 H 2.002 0.030 1 250 35 35 LYS HG2 H 2.037 0.030 1 251 35 35 LYS HG3 H 2.037 0.030 1 252 35 35 LYS HD2 H 1.866 0.030 1 253 35 35 LYS HD3 H 1.866 0.030 1 254 35 35 LYS HE2 H 3.096 0.030 2 255 35 35 LYS HE3 H 3.225 0.030 2 256 35 35 LYS C C 178.526 0.400 1 257 35 35 LYS CA C 60.666 0.400 1 258 35 35 LYS CB C 31.428 0.400 1 259 35 35 LYS CG C 26.849 0.400 1 260 35 35 LYS CD C 29.326 0.400 1 261 35 35 LYS CE C 41.535 0.400 1 262 35 35 LYS N N 119.725 0.400 1 263 36 36 ARG H H 7.458 0.030 1 264 36 36 ARG HA H 4.149 0.030 1 265 36 36 ARG HB2 H 1.921 0.030 1 266 36 36 ARG HB3 H 1.921 0.030 1 267 36 36 ARG HG2 H 1.712 0.030 2 268 36 36 ARG HG3 H 1.945 0.030 2 269 36 36 ARG HD2 H 3.208 0.030 1 270 36 36 ARG HD3 H 3.208 0.030 1 271 36 36 ARG HE H 7.237 0.030 1 272 36 36 ARG C C 177.752 0.400 1 273 36 36 ARG CA C 58.107 0.400 1 274 36 36 ARG CB C 29.714 0.400 1 275 36 36 ARG CG C 27.441 0.400 1 276 36 36 ARG CD C 43.629 0.400 1 277 36 36 ARG N N 118.491 0.400 1 278 36 36 ARG NE N 84.773 0.400 1 279 37 37 SER H H 7.771 0.030 1 280 37 37 SER HA H 4.202 0.030 1 281 37 37 SER HB2 H 3.738 0.030 1 282 37 37 SER HB3 H 3.738 0.030 1 283 37 37 SER C C 174.576 0.400 1 284 37 37 SER CA C 60.412 0.400 1 285 37 37 SER CB C 62.129 0.400 1 286 37 37 SER N N 113.811 0.400 1 287 38 38 HIS H H 7.265 0.030 1 288 38 38 HIS HA H 4.994 0.030 1 289 38 38 HIS HB2 H 3.232 0.030 1 290 38 38 HIS HB3 H 3.232 0.030 1 291 38 38 HIS HD2 H 6.895 0.030 1 292 38 38 HIS HE1 H 7.801 0.030 1 293 38 38 HIS C C 174.977 0.400 1 294 38 38 HIS CA C 54.798 0.400 1 295 38 38 HIS CB C 28.317 0.400 1 296 38 38 HIS CD2 C 126.093 0.400 1 297 38 38 HIS CE1 C 139.246 0.400 1 298 38 38 HIS N N 118.829 0.400 1 299 38 38 HIS NE2 N 213.967 0.400 1 300 39 39 THR H H 7.814 0.030 1 301 39 39 THR HA H 4.353 0.030 1 302 39 39 THR HB H 4.295 0.030 1 303 39 39 THR HG2 H 1.240 0.030 1 304 39 39 THR C C 174.977 0.400 1 305 39 39 THR CA C 62.252 0.400 1 306 39 39 THR CB C 69.773 0.400 1 307 39 39 THR CG2 C 21.412 0.400 1 308 39 39 THR N N 113.289 0.400 1 309 40 40 GLY H H 8.425 0.030 1 310 40 40 GLY HA2 H 3.983 0.030 1 311 40 40 GLY HA3 H 3.983 0.030 1 312 40 40 GLY C C 173.802 0.400 1 313 40 40 GLY CA C 45.173 0.400 1 314 40 40 GLY N N 110.879 0.400 1 315 41 41 GLU H H 8.127 0.030 1 316 41 41 GLU HA H 4.222 0.030 1 317 41 41 GLU HB2 H 1.635 0.030 2 318 41 41 GLU HB3 H 1.447 0.030 2 319 41 41 GLU HG2 H 2.250 0.030 2 320 41 41 GLU HG3 H 2.302 0.030 2 321 41 41 GLU C C 176.151 0.400 1 322 41 41 GLU CA C 56.710 0.400 1 323 41 41 GLU CB C 30.550 0.400 1 324 41 41 GLU CG C 35.790 0.400 1 325 41 41 GLU N N 120.081 0.400 1 326 42 42 ARG H H 8.370 0.030 1 327 42 42 ARG HA H 4.530 0.030 1 328 42 42 ARG HB2 H 1.556 0.030 1 329 42 42 ARG HB3 H 1.556 0.030 1 330 42 42 ARG HG2 H 1.427 0.030 1 331 42 42 ARG HG3 H 1.427 0.030 1 332 42 42 ARG HD2 H 2.970 0.030 1 333 42 42 ARG HD3 H 2.970 0.030 1 334 42 42 ARG HE H 6.959 0.030 1 335 42 42 ARG CA C 53.378 0.400 1 336 42 42 ARG CB C 30.025 0.400 1 337 42 42 ARG CG C 27.044 0.400 1 338 42 42 ARG CD C 43.389 0.400 1 339 42 42 ARG N N 121.379 0.400 1 340 42 42 ARG NE N 84.066 0.400 1 341 43 43 PRO HA H 4.260 0.030 1 342 43 43 PRO HB2 H 1.970 0.030 2 343 43 43 PRO HB3 H 1.126 0.030 2 344 43 43 PRO HG2 H 1.825 0.030 2 345 43 43 PRO HG3 H 1.555 0.030 2 346 43 43 PRO HD2 H 3.660 0.030 1 347 43 43 PRO HD3 H 3.660 0.030 1 348 43 43 PRO C C 176.151 0.400 1 349 43 43 PRO CA C 63.652 0.400 1 350 43 43 PRO CB C 32.069 0.400 1 351 43 43 PRO CG C 26.441 0.400 1 352 43 43 PRO CD C 50.165 0.400 1 353 44 44 PHE H H 7.659 0.030 1 354 44 44 PHE HA H 4.845 0.030 1 355 44 44 PHE HB2 H 3.125 0.030 2 356 44 44 PHE HB3 H 2.856 0.030 2 357 44 44 PHE HD1 H 7.111 0.030 1 358 44 44 PHE HD2 H 7.111 0.030 1 359 44 44 PHE HE1 H 7.426 0.030 1 360 44 44 PHE HE2 H 7.426 0.030 1 361 44 44 PHE C C 174.603 0.400 1 362 44 44 PHE CA C 57.080 0.400 1 363 44 44 PHE CB C 39.654 0.400 1 364 44 44 PHE CD1 C 131.589 0.400 1 365 44 44 PHE CD2 C 131.589 0.400 1 366 44 44 PHE CE1 C 131.519 0.400 1 367 44 44 PHE CE2 C 131.519 0.400 1 368 44 44 PHE N N 116.589 0.400 1 369 45 45 HIS H H 9.070 0.030 1 370 45 45 HIS HA H 5.291 0.030 1 371 45 45 HIS HB2 H 3.091 0.030 2 372 45 45 HIS HB3 H 3.045 0.030 2 373 45 45 HIS HD2 H 6.976 0.030 1 374 45 45 HIS HE1 H 7.805 0.030 1 375 45 45 HIS C C 172.655 0.400 1 376 45 45 HIS CA C 54.560 0.400 1 377 45 45 HIS CB C 31.774 0.400 1 378 45 45 HIS CD2 C 119.718 0.400 1 379 45 45 HIS N N 121.791 0.400 1 380 45 45 HIS ND1 N 173.162 0.400 1 381 46 46 CYS H H 9.189 0.030 1 382 46 46 CYS HA H 4.542 0.030 1 383 46 46 CYS HB2 H 2.765 0.030 1 384 46 46 CYS HB3 H 3.391 0.030 1 385 46 46 CYS C C 176.525 0.400 1 386 46 46 CYS CA C 59.233 0.400 1 387 46 46 CYS CB C 29.948 0.400 1 388 46 46 CYS N N 125.392 0.400 1 389 47 47 ASN H H 9.302 0.030 1 390 47 47 ASN HA H 4.697 0.030 1 391 47 47 ASN HB2 H 2.989 0.030 2 392 47 47 ASN HB3 H 2.936 0.030 2 393 47 47 ASN HD21 H 6.993 0.030 2 394 47 47 ASN HD22 H 7.677 0.030 2 395 47 47 ASN C C 175.433 0.400 1 396 47 47 ASN CA C 54.982 0.400 1 397 47 47 ASN CB C 38.237 0.400 1 398 47 47 ASN N N 128.827 0.400 1 399 47 47 ASN ND2 N 112.408 0.400 1 400 48 48 GLN H H 9.139 0.030 1 401 48 48 GLN HA H 4.307 0.030 1 402 48 48 GLN HB2 H 1.497 0.030 2 403 48 48 GLN HB3 H 1.411 0.030 2 404 48 48 GLN HG2 H 2.114 0.030 2 405 48 48 GLN HG3 H 1.991 0.030 2 406 48 48 GLN HE21 H 6.839 0.030 2 407 48 48 GLN HE22 H 7.440 0.030 2 408 48 48 GLN C C 176.151 0.400 1 409 48 48 GLN CA C 57.832 0.400 1 410 48 48 GLN CB C 29.163 0.400 1 411 48 48 GLN CG C 33.936 0.400 1 412 48 48 GLN N N 120.952 0.400 1 413 48 48 GLN NE2 N 111.039 0.400 1 414 49 49 CYS H H 8.117 0.030 1 415 49 49 CYS HA H 5.149 0.030 1 416 49 49 CYS HB2 H 3.437 0.030 2 417 49 49 CYS HB3 H 2.895 0.030 2 418 49 49 CYS C C 175.430 0.400 1 419 49 49 CYS CA C 58.349 0.400 1 420 49 49 CYS CB C 32.264 0.400 1 421 49 49 CYS N N 116.176 0.400 1 422 50 50 GLY H H 8.142 0.030 1 423 50 50 GLY HA2 H 4.223 0.030 2 424 50 50 GLY HA3 H 3.885 0.030 2 425 50 50 GLY C C 173.758 0.400 1 426 50 50 GLY CA C 45.891 0.400 1 427 50 50 GLY N N 111.724 0.400 1 428 51 51 ALA H H 8.420 0.030 1 429 51 51 ALA HA H 4.087 0.030 1 430 51 51 ALA HB H 0.978 0.030 1 431 51 51 ALA C C 175.350 0.400 1 432 51 51 ALA CA C 53.505 0.400 1 433 51 51 ALA CB C 19.611 0.400 1 434 51 51 ALA N N 126.041 0.400 1 435 52 52 SER H H 7.829 0.030 1 436 52 52 SER HA H 5.255 0.030 1 437 52 52 SER HB2 H 3.565 0.030 1 438 52 52 SER HB3 H 3.565 0.030 1 439 52 52 SER C C 173.002 0.400 1 440 52 52 SER CA C 56.680 0.400 1 441 52 52 SER CB C 65.958 0.400 1 442 52 52 SER N N 113.511 0.400 1 443 53 53 PHE H H 8.802 0.030 1 444 53 53 PHE HA H 4.878 0.030 1 445 53 53 PHE HB2 H 3.592 0.030 2 446 53 53 PHE HB3 H 2.534 0.030 2 447 53 53 PHE HD1 H 7.187 0.030 1 448 53 53 PHE HD2 H 7.187 0.030 1 449 53 53 PHE HE1 H 6.845 0.030 1 450 53 53 PHE HE2 H 6.845 0.030 1 451 53 53 PHE HZ H 6.342 0.030 1 452 53 53 PHE C C 174.977 0.400 1 453 53 53 PHE CA C 57.556 0.400 1 454 53 53 PHE CB C 43.874 0.400 1 455 53 53 PHE CD1 C 131.995 0.400 1 456 53 53 PHE CD2 C 131.995 0.400 1 457 53 53 PHE CE1 C 130.820 0.400 1 458 53 53 PHE CE2 C 130.820 0.400 1 459 53 53 PHE CZ C 129.153 0.400 1 460 53 53 PHE N N 117.376 0.400 1 461 54 54 THR H H 9.129 0.030 1 462 54 54 THR HA H 4.553 0.030 1 463 54 54 THR HB H 4.494 0.030 1 464 54 54 THR HG2 H 1.405 0.030 1 465 54 54 THR C C 174.229 0.400 1 466 54 54 THR CA C 63.789 0.400 1 467 54 54 THR CB C 69.491 0.400 1 468 54 54 THR CG2 C 22.595 0.400 1 469 54 54 THR N N 114.290 0.400 1 470 55 55 GLN H H 7.563 0.030 1 471 55 55 GLN HA H 4.784 0.030 1 472 55 55 GLN HB2 H 2.220 0.030 1 473 55 55 GLN HB3 H 1.933 0.030 1 474 55 55 GLN HG2 H 2.461 0.030 1 475 55 55 GLN HG3 H 2.461 0.030 1 476 55 55 GLN HE21 H 6.908 0.030 2 477 55 55 GLN HE22 H 7.516 0.030 2 478 55 55 GLN C C 176.124 0.400 1 479 55 55 GLN CA C 54.065 0.400 1 480 55 55 GLN CB C 31.444 0.400 1 481 55 55 GLN CG C 33.144 0.400 1 482 55 55 GLN N N 117.684 0.400 1 483 55 55 GLN NE2 N 111.974 0.400 1 484 56 56 LYS H H 8.680 0.030 1 485 56 56 LYS HA H 2.791 0.030 1 486 56 56 LYS HB2 H 1.400 0.030 2 487 56 56 LYS HB3 H 1.050 0.030 2 488 56 56 LYS HG2 H 0.926 0.030 2 489 56 56 LYS HG3 H 1.143 0.030 2 490 56 56 LYS HD2 H 1.545 0.030 1 491 56 56 LYS HD3 H 1.545 0.030 1 492 56 56 LYS HE2 H 2.959 0.030 1 493 56 56 LYS HE3 H 2.959 0.030 1 494 56 56 LYS C C 178.179 0.400 1 495 56 56 LYS CA C 59.297 0.400 1 496 56 56 LYS CB C 31.734 0.400 1 497 56 56 LYS CG C 24.725 0.400 1 498 56 56 LYS CD C 29.274 0.400 1 499 56 56 LYS CE C 41.881 0.400 1 500 56 56 LYS N N 127.497 0.400 1 501 57 57 GLY H H 8.900 0.030 1 502 57 57 GLY HA2 H 3.591 0.030 2 503 57 57 GLY HA3 H 3.844 0.030 2 504 57 57 GLY C C 176.204 0.400 1 505 57 57 GLY CA C 47.070 0.400 1 506 57 57 GLY N N 105.111 0.400 1 507 58 58 ASN H H 6.958 0.030 1 508 58 58 ASN HA H 4.448 0.030 1 509 58 58 ASN HB2 H 2.904 0.030 1 510 58 58 ASN HB3 H 2.809 0.030 1 511 58 58 ASN HD21 H 7.025 0.030 2 512 58 58 ASN HD22 H 7.666 0.030 2 513 58 58 ASN C C 177.325 0.400 1 514 58 58 ASN CA C 54.912 0.400 1 515 58 58 ASN CB C 37.462 0.400 1 516 58 58 ASN N N 117.732 0.400 1 517 58 58 ASN ND2 N 113.600 0.400 1 518 59 59 LEU H H 6.885 0.030 1 519 59 59 LEU HA H 3.126 0.030 1 520 59 59 LEU HB2 H 1.144 0.030 1 521 59 59 LEU HB3 H 2.031 0.030 1 522 59 59 LEU HG H 1.500 0.030 1 523 59 59 LEU HD1 H 0.943 0.030 1 524 59 59 LEU HD2 H 1.034 0.030 1 525 59 59 LEU C C 177.352 0.400 1 526 59 59 LEU CA C 57.659 0.400 1 527 59 59 LEU CB C 39.910 0.400 1 528 59 59 LEU CG C 27.511 0.400 1 529 59 59 LEU CD1 C 22.999 0.400 1 530 59 59 LEU CD2 C 26.209 0.400 1 531 59 59 LEU N N 123.027 0.400 1 532 60 60 LEU H H 8.078 0.030 1 533 60 60 LEU HA H 3.896 0.030 1 534 60 60 LEU HB2 H 1.754 0.030 1 535 60 60 LEU HB3 H 1.459 0.030 1 536 60 60 LEU HG H 1.675 0.030 1 537 60 60 LEU HD1 H 0.903 0.030 1 538 60 60 LEU HD2 H 0.815 0.030 1 539 60 60 LEU C C 179.669 0.400 1 540 60 60 LEU CA C 58.138 0.400 1 541 60 60 LEU CB C 40.632 0.400 1 542 60 60 LEU CG C 26.757 0.400 1 543 60 60 LEU CD1 C 24.762 0.400 1 544 60 60 LEU CD2 C 22.148 0.400 1 545 60 60 LEU N N 117.860 0.400 1 546 61 61 ARG H H 7.414 0.030 1 547 61 61 ARG HA H 3.928 0.030 1 548 61 61 ARG HB2 H 1.779 0.030 1 549 61 61 ARG HB3 H 1.779 0.030 1 550 61 61 ARG HG2 H 1.565 0.030 2 551 61 61 ARG HG3 H 1.753 0.030 2 552 61 61 ARG HD2 H 3.190 0.030 1 553 61 61 ARG HD3 H 3.190 0.030 1 554 61 61 ARG HE H 7.199 0.030 1 555 61 61 ARG C C 177.752 0.400 1 556 61 61 ARG CA C 59.258 0.400 1 557 61 61 ARG CB C 30.346 0.400 1 558 61 61 ARG CG C 27.840 0.400 1 559 61 61 ARG CD C 43.163 0.400 1 560 61 61 ARG N N 117.382 0.400 1 561 61 61 ARG NE N 83.881 0.400 1 562 61 61 ARG NH1 N 84.729 0.400 1 563 62 62 HIS H H 7.360 0.030 1 564 62 62 HIS HA H 4.111 0.030 1 565 62 62 HIS HB2 H 3.257 0.030 1 566 62 62 HIS HB3 H 2.915 0.030 1 567 62 62 HIS HD2 H 7.029 0.030 1 568 62 62 HIS HE1 H 7.922 0.030 1 569 62 62 HIS C C 176.978 0.400 1 570 62 62 HIS CA C 59.566 0.400 1 571 62 62 HIS CB C 28.558 0.400 1 572 62 62 HIS CD2 C 126.962 0.400 1 573 62 62 HIS CE1 C 139.548 0.400 1 574 62 62 HIS N N 119.118 0.400 1 575 62 62 HIS ND1 N 172.920 0.400 1 576 62 62 HIS NE2 N 216.641 0.400 1 577 63 63 ILE H H 8.500 0.030 1 578 63 63 ILE HA H 3.669 0.030 1 579 63 63 ILE HB H 2.011 0.030 1 580 63 63 ILE HG12 H 1.595 0.030 2 581 63 63 ILE HG13 H 1.847 0.030 2 582 63 63 ILE HG2 H 1.164 0.030 1 583 63 63 ILE HD1 H 1.010 0.030 1 584 63 63 ILE C C 178.526 0.400 1 585 63 63 ILE CA C 65.875 0.400 1 586 63 63 ILE CB C 38.085 0.400 1 587 63 63 ILE CG1 C 28.706 0.400 1 588 63 63 ILE CG2 C 17.713 0.400 1 589 63 63 ILE CD1 C 13.863 0.400 1 590 63 63 ILE N N 116.662 0.400 1 591 64 64 LYS H H 7.174 0.030 1 592 64 64 LYS HA H 4.068 0.030 1 593 64 64 LYS HB2 H 1.813 0.030 2 594 64 64 LYS HB3 H 1.878 0.030 2 595 64 64 LYS HG2 H 1.615 0.030 2 596 64 64 LYS HG3 H 1.465 0.030 2 597 64 64 LYS HD2 H 1.556 0.030 1 598 64 64 LYS HD3 H 1.556 0.030 1 599 64 64 LYS HE2 H 2.853 0.030 1 600 64 64 LYS HE3 H 2.853 0.030 1 601 64 64 LYS C C 178.553 0.400 1 602 64 64 LYS CA C 58.667 0.400 1 603 64 64 LYS CB C 32.004 0.400 1 604 64 64 LYS CG C 25.210 0.400 1 605 64 64 LYS CD C 29.083 0.400 1 606 64 64 LYS CE C 41.851 0.400 1 607 64 64 LYS N N 119.456 0.400 1 608 65 65 LEU H H 7.744 0.030 1 609 65 65 LEU HA H 4.064 0.030 1 610 65 65 LEU HB2 H 1.466 0.030 2 611 65 65 LEU HB3 H 1.244 0.030 2 612 65 65 LEU HG H 1.628 0.030 1 613 65 65 LEU HD1 H 0.817 0.030 1 614 65 65 LEU HD2 H 0.768 0.030 1 615 65 65 LEU C C 178.980 0.400 1 616 65 65 LEU CA C 56.607 0.400 1 617 65 65 LEU CB C 40.977 0.400 1 618 65 65 LEU CG C 26.489 0.400 1 619 65 65 LEU CD1 C 25.106 0.400 1 620 65 65 LEU CD2 C 22.619 0.400 1 621 65 65 LEU N N 118.539 0.400 1 622 66 66 HIS H H 7.357 0.030 1 623 66 66 HIS HA H 4.733 0.030 1 624 66 66 HIS HB2 H 3.262 0.030 2 625 66 66 HIS HB3 H 3.664 0.030 2 626 66 66 HIS HD2 H 6.670 0.030 1 627 66 66 HIS HE1 H 7.997 0.030 1 628 66 66 HIS C C 175.671 0.400 1 629 66 66 HIS CA C 56.128 0.400 1 630 66 66 HIS CB C 28.573 0.400 1 631 66 66 HIS CD2 C 127.013 0.400 1 632 66 66 HIS CE1 C 139.887 0.400 1 633 66 66 HIS N N 115.422 0.400 1 634 66 66 HIS ND1 N 170.425 0.400 1 635 66 66 HIS NE2 N 211.644 0.400 1 636 67 67 SER H H 7.859 0.030 1 637 67 67 SER HA H 4.459 0.030 1 638 67 67 SER HB2 H 3.975 0.030 1 639 67 67 SER HB3 H 3.975 0.030 1 640 67 67 SER C C 175.003 0.400 1 641 67 67 SER CA C 59.246 0.400 1 642 67 67 SER CB C 63.693 0.400 1 643 67 67 SER N N 115.047 0.400 1 644 68 68 GLY H H 8.281 0.030 1 645 68 68 GLY HA2 H 3.993 0.030 1 646 68 68 GLY HA3 H 3.993 0.030 1 647 68 68 GLY C C 173.812 0.400 1 648 68 68 GLY CA C 45.307 0.400 1 649 68 68 GLY N N 110.437 0.400 1 650 69 69 GLU H H 8.069 0.030 1 651 69 69 GLU HA H 4.280 0.030 1 652 69 69 GLU HB2 H 1.956 0.030 2 653 69 69 GLU HB3 H 2.030 0.030 2 654 69 69 GLU HG2 H 2.272 0.030 1 655 69 69 GLU HG3 H 2.272 0.030 1 656 69 69 GLU C C 176.124 0.400 1 657 69 69 GLU CA C 56.393 0.400 1 658 69 69 GLU CB C 30.396 0.400 1 659 69 69 GLU CG C 36.098 0.400 1 660 69 69 GLU N N 120.321 0.400 1 661 70 70 LYS H H 8.349 0.030 1 662 70 70 LYS HA H 4.594 0.030 1 663 70 70 LYS HB2 H 1.781 0.030 2 664 70 70 LYS HB3 H 1.710 0.030 2 665 70 70 LYS HG2 H 1.444 0.030 1 666 70 70 LYS HG3 H 1.444 0.030 1 667 70 70 LYS HD2 H 1.668 0.030 1 668 70 70 LYS HD3 H 1.668 0.030 1 669 70 70 LYS HE2 H 2.977 0.030 1 670 70 70 LYS HE3 H 2.977 0.030 1 671 70 70 LYS CA C 54.065 0.400 1 672 70 70 LYS CB C 32.557 0.400 1 673 70 70 LYS CG C 24.358 0.400 1 674 70 70 LYS CD C 28.836 0.400 1 675 70 70 LYS CE C 42.043 0.400 1 676 70 70 LYS N N 123.278 0.400 1 677 71 71 PRO HA H 4.391 0.030 1 678 71 71 PRO HB2 H 2.218 0.030 2 679 71 71 PRO HB3 H 1.818 0.030 2 680 71 71 PRO HG2 H 1.966 0.030 1 681 71 71 PRO HG3 H 1.966 0.030 1 682 71 71 PRO HD2 H 3.770 0.030 2 683 71 71 PRO HD3 H 3.612 0.030 2 684 71 71 PRO C C 176.178 0.400 1 685 71 71 PRO CA C 63.143 0.400 1 686 71 71 PRO CB C 31.837 0.400 1 687 71 71 PRO CG C 27.087 0.400 1 688 71 71 PRO CD C 50.381 0.400 1 689 72 72 PHE H H 8.177 0.030 1 690 72 72 PHE HA H 4.606 0.030 1 691 72 72 PHE HB2 H 3.089 0.030 2 692 72 72 PHE HB3 H 3.120 0.030 2 693 72 72 PHE HD1 H 7.271 0.030 1 694 72 72 PHE HD2 H 7.271 0.030 1 695 72 72 PHE C C 174.546 0.400 1 696 72 72 PHE CA C 57.543 0.400 1 697 72 72 PHE CB C 39.501 0.400 1 698 72 72 PHE CD1 C 131.673 0.400 1 699 72 72 PHE CD2 C 131.673 0.400 1 700 72 72 PHE N N 120.324 0.400 1 701 73 73 LYS H H 7.707 0.030 1 702 73 73 LYS HA H 4.096 0.030 1 703 73 73 LYS HB2 H 1.761 0.030 2 704 73 73 LYS HB3 H 1.682 0.030 2 705 73 73 LYS HG2 H 1.316 0.030 1 706 73 73 LYS HG3 H 1.316 0.030 1 707 73 73 LYS HD2 H 1.676 0.030 1 708 73 73 LYS HD3 H 1.676 0.030 1 709 73 73 LYS HE2 H 2.965 0.030 1 710 73 73 LYS HE3 H 2.965 0.030 1 711 73 73 LYS CA C 57.632 0.400 1 712 73 73 LYS CB C 33.920 0.400 1 713 73 73 LYS CG C 24.312 0.400 1 714 73 73 LYS CD C 28.833 0.400 1 715 73 73 LYS CE C 41.958 0.400 1 716 73 73 LYS N N 127.080 0.400 1 stop_ save_