data_17772 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RING finger-like domain of Retinoblastoma Binding Protein-6 (RBBP6) ; _BMRB_accession_number 17772 _BMRB_flat_file_name bmr17772.str _Entry_type original _Submission_date 2011-07-08 _Accession_date 2011-07-08 _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 Kappo M. A. . 2 Ab E. . . 3 Atkinson R. A. . 4 Faro A. . . 5 Muleya V. . . 6 Mulaudzi T. . . 7 Poole J. O. . 8 Mckenzie J. M. . 9 PUGH DAVID JOHN.RHYDWYN. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 531 "13C chemical shifts" 300 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2011-12-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of RING Finger-like Domain of Retinoblastoma-binding Protein-6 (RBBP6) Suggests It Functions as a U-box.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22130672 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kappo Mautin A. . 2 Ab Eiso . . 3 Hassem Faqeer . . 4 Atkinson 'R. Andrew' . . 5 Faro Andrew . . 6 Muleya Victor . . 7 Mulaudzi Takalani . . 8 Poole John O. . 9 McKenzie Jean M. . 10 Chibi Moredreck . . 11 Moolman-Smook Joanna C. . 12 Rees 'D. Jasper G' . . 13 Pugh David J.R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7146 _Page_last 7158 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure of the RING finger-like domain of Retinoblastoma Binding Protein-6 (RBBP6)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E3 UBIQUITIN-PROTEIN LIGASE RBBP6 1' $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 'E3 UBIQUITIN-PROTEIN LIGASE RBBP6 2' $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 'Zinc ion, 1' $ZN 'Zinc ion, 2' $ZN stop_ _System_molecular_weight 20690.4234 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 _Molecular_mass 10214.4517 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GPLGSEDDPIPDELLCLICK DIMTDAVVIPCCGNSYCDEC IRTALLESDEHTCPTCHQND VSPDALIANKFLRQAVNNFK NETGYTKRLRKQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 GLU 7 ASP 8 ASP 9 PRO 10 ILE 11 PRO 12 ASP 13 GLU 14 LEU 15 LEU 16 CYS 17 LEU 18 ILE 19 CYS 20 LYS 21 ASP 22 ILE 23 MET 24 THR 25 ASP 26 ALA 27 VAL 28 VAL 29 ILE 30 PRO 31 CYS 32 CYS 33 GLY 34 ASN 35 SER 36 TYR 37 CYS 38 ASP 39 GLU 40 CYS 41 ILE 42 ARG 43 THR 44 ALA 45 LEU 46 LEU 47 GLU 48 SER 49 ASP 50 GLU 51 HIS 52 THR 53 CYS 54 PRO 55 THR 56 CYS 57 HIS 58 GLN 59 ASN 60 ASP 61 VAL 62 SER 63 PRO 64 ASP 65 ALA 66 LEU 67 ILE 68 ALA 69 ASN 70 LYS 71 PHE 72 LEU 73 ARG 74 GLN 75 ALA 76 VAL 77 ASN 78 ASN 79 PHE 80 LYS 81 ASN 82 GLU 83 THR 84 GLY 85 TYR 86 THR 87 LYS 88 ARG 89 LEU 90 ARG 91 LYS 92 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11159 "UNP residues 249-309, C3HC4 domain" 66.30 74 100.00 100.00 2.31e-35 BMRB 17466 E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 100.00 92 100.00 100.00 3.02e-60 PDB 2YUR "Solution Structure Of The Ring Finger Of Human Retinoblastoma-Binding Protein 6" 66.30 74 100.00 100.00 2.31e-35 PDB 3ZTG "Solution Structure Of The Ring Finger-Like Domain Of Retinoblastoma Binding Protein-6 (Rbbp6)" 98.91 92 100.00 100.00 2.65e-59 DBJ BAC77636 "retinoblastoma binding protein 6 isoform 1 [Homo sapiens]" 94.57 1792 100.00 100.00 4.00e-52 DBJ BAC77637 "retinoblastoma binding protein 6 isoform 2 [Homo sapiens]" 94.57 1758 100.00 100.00 5.73e-52 DBJ BAG64162 "unnamed protein product [Homo sapiens]" 94.57 1008 100.00 100.00 9.98e-53 EMBL CAA59445 "RB protein binding protein [Homo sapiens]" 94.57 948 100.00 100.00 1.36e-53 GB AAB49620 "PACT [Mus musculus]" 94.57 1587 98.85 98.85 1.11e-51 GB AAC72432 "proliferation potential-related protein [Mus musculus]" 94.57 1560 97.70 98.85 1.34e-50 GB AAH63524 "RBBP6 protein, partial [Homo sapiens]" 94.57 919 100.00 100.00 1.50e-54 GB AAI72357 "Retinoblastoma binding protein 6 [synthetic construct]" 94.57 1792 100.00 100.00 4.00e-52 GB AAL05625 "proliferation potential-related protein [Homo sapiens]" 94.57 1616 100.00 100.00 2.20e-52 REF NP_001291483 "retinoblastoma binding protein 6 [Bos taurus]" 94.57 1797 100.00 100.00 3.40e-52 REF NP_008841 "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Homo sapiens]" 94.57 1792 100.00 100.00 4.00e-52 REF NP_035377 "E3 ubiquitin-protein ligase RBBP6 isoform 1 [Mus musculus]" 94.57 1790 100.00 100.00 3.39e-52 REF NP_061173 "E3 ubiquitin-protein ligase RBBP6 isoform 2 [Homo sapiens]" 94.57 1758 100.00 100.00 5.73e-52 REF XP_001076339 "PREDICTED: E3 ubiquitin-protein ligase RBBP6 isoform X1 [Rattus norvegicus]" 94.57 1789 100.00 100.00 3.56e-52 SP P97868 "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" 94.57 1790 100.00 100.00 3.39e-52 SP Q7Z6E9 "RecName: Full=E3 ubiquitin-protein ligase RBBP6; AltName: Full=Proliferation potential-related protein; AltName: Full=Protein P" 94.57 1792 100.00 100.00 4.00e-52 TPG DAA15466 "TPA: retinoblastoma binding protein 6 [Bos taurus]" 94.57 957 100.00 100.00 1.34e-54 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 Fri Jul 8 11:13:18 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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 $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 n/a pGEX-6P-2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.7 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $E3_UBIQUITIN-PROTEIN_LIGASE_RBBP6 0.7 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 2.1 loop_ _Vendor _Address _Electronic_address BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version any loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version any loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC-NOESY_13C-HSQC-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-HSQC-NOESY 13C-HSQC-NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.0], temp [298], pressure [1], ionStrength [150.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150.000 . mM pH 6.000 . pH pressure 1.000 . atm temperature 298.000 . 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 carbon' ppm 0.000 external direct . . . 1 HDO H 1 H ppm 4.812 internal direct . . . 1 'Liquid NH3' N 15 N ppm 0.000 external direct . . . 1 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3ztg/ebi/rring-new.bmrb.csh' loop_ _Experiment_label '15N-HSQC-NOESY 13C-HSQC-NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'E3 UBIQUITIN-PROTEIN LIGASE RBBP6 1' _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 1 1 GLY HA2 H 4.003 0.02 1 2 1 1 GLY HA3 H 4.003 0.02 1 3 1 1 GLY CA C 43.479 0.40 1 4 2 2 PRO HA H 4.496 0.02 1 5 2 2 PRO HB2 H 1.977 0.02 1 6 2 2 PRO HB3 H 2.336 0.02 1 7 2 2 PRO HG2 H 1.998 0.02 1 8 2 2 PRO HG3 H 2.031 0.02 1 9 2 2 PRO HD2 H 3.589 0.02 1 10 2 2 PRO HD3 H 3.609 0.02 1 11 2 2 PRO CA C 63.242 0.40 1 12 2 2 PRO CB C 32.438 0.40 1 13 2 2 PRO CG C 27.139 0.40 1 14 2 2 PRO CD C 49.729 0.40 1 15 3 3 LEU H H 8.649 0.02 1 16 3 3 LEU HA H 4.397 0.02 1 17 3 3 LEU HB2 H 1.644 0.02 1 18 3 3 LEU HB3 H 1.667 0.02 1 19 3 3 LEU HG H 1.826 0.02 1 20 3 3 LEU HD1 H 0.945 0.02 1 21 3 3 LEU HD2 H 0.910 0.02 1 22 3 3 LEU CA C 55.619 0.40 1 23 3 3 LEU CB C 42.164 0.40 1 24 3 3 LEU CG C 27.525 0.40 1 25 3 3 LEU CD1 C 24.995 0.40 1 26 3 3 LEU CD2 C 23.697 0.40 1 27 3 3 LEU N N 122.886 0.40 1 28 4 4 GLY H H 8.587 0.02 1 29 4 4 GLY HA2 H 3.976 0.02 1 30 4 4 GLY HA3 H 4.119 0.02 1 31 4 4 GLY CA C 45.373 0.40 1 32 4 4 GLY N N 111.356 0.40 1 33 5 5 SER H H 8.178 0.02 1 34 5 5 SER HA H 4.522 0.02 1 35 5 5 SER HB2 H 3.870 0.02 1 36 5 5 SER HB3 H 3.961 0.02 1 37 5 5 SER CA C 58.321 0.40 1 38 5 5 SER CB C 64.288 0.40 1 39 5 5 SER N N 116.544 0.40 1 40 6 6 GLU H H 8.730 0.02 1 41 6 6 GLU HA H 4.278 0.02 1 42 6 6 GLU HB2 H 1.959 0.02 1 43 6 6 GLU HB3 H 2.098 0.02 1 44 6 6 GLU HG2 H 2.298 0.02 1 45 6 6 GLU HG3 H 2.298 0.02 1 46 6 6 GLU CA C 57.264 0.40 1 47 6 6 GLU CB C 29.932 0.40 1 48 6 6 GLU CG C 36.268 0.40 1 49 6 6 GLU N N 122.843 0.40 1 50 7 7 ASP H H 8.195 0.02 1 51 7 7 ASP HA H 4.636 0.02 1 52 7 7 ASP HB2 H 2.555 0.02 1 53 7 7 ASP HB3 H 2.731 0.02 1 54 7 7 ASP CA C 54.359 0.40 1 55 7 7 ASP CB C 41.459 0.40 1 56 7 7 ASP N N 120.371 0.40 1 57 8 8 ASP H H 8.138 0.02 1 58 8 8 ASP HA H 4.892 0.02 1 59 8 8 ASP HB2 H 2.540 0.02 1 60 8 8 ASP HB3 H 2.732 0.02 1 61 8 8 ASP CA C 52.820 0.40 1 62 8 8 ASP CB C 40.742 0.40 1 63 8 8 ASP N N 122.308 0.40 1 64 9 9 PRO HA H 4.464 0.02 1 65 9 9 PRO HB2 H 1.854 0.02 1 66 9 9 PRO HB3 H 2.243 0.02 1 67 9 9 PRO HG2 H 2.018 0.02 1 68 9 9 PRO HG3 H 2.017 0.02 1 69 9 9 PRO HD2 H 3.715 0.02 1 70 9 9 PRO HD3 H 3.776 0.02 1 71 9 9 PRO CA C 62.877 0.40 1 72 9 9 PRO CB C 32.158 0.40 1 73 9 9 PRO CG C 27.283 0.40 1 74 9 9 PRO CD C 50.529 0.40 1 75 10 10 ILE H H 8.194 0.02 1 76 10 10 ILE HA H 4.027 0.02 1 77 10 10 ILE HB H 1.549 0.02 1 78 10 10 ILE HG12 H 0.944 0.02 1 79 10 10 ILE HG13 H 1.489 0.02 1 80 10 10 ILE HG2 H 0.509 0.02 1 81 10 10 ILE HD1 H 0.690 0.02 1 82 10 10 ILE CA C 58.687 0.40 1 83 10 10 ILE CB C 39.350 0.40 1 84 10 10 ILE CG1 C 27.756 0.40 1 85 10 10 ILE CG2 C 16.957 0.40 1 86 10 10 ILE CD1 C 13.161 0.40 1 87 10 10 ILE N N 123.735 0.40 1 88 11 11 PRO HA H 4.198 0.02 1 89 11 11 PRO HB2 H 1.562 0.02 1 90 11 11 PRO HB3 H 2.311 0.02 1 91 11 11 PRO HG2 H 1.732 0.02 1 92 11 11 PRO HG3 H 1.864 0.02 1 93 11 11 PRO HD2 H 2.683 0.02 1 94 11 11 PRO HD3 H 3.722 0.02 1 95 11 11 PRO CA C 63.397 0.40 1 96 11 11 PRO CB C 32.479 0.40 1 97 11 11 PRO CG C 27.479 0.40 1 98 11 11 PRO CD C 51.404 0.40 1 99 12 12 ASP H H 8.254 0.02 1 100 12 12 ASP HA H 4.069 0.02 1 101 12 12 ASP HB2 H 2.523 0.02 1 102 12 12 ASP HB3 H 2.523 0.02 1 103 12 12 ASP CA C 57.715 0.40 1 104 12 12 ASP CB C 41.397 0.40 1 105 12 12 ASP N N 123.732 0.40 1 106 13 13 GLU H H 9.685 0.02 1 107 13 13 GLU HA H 4.024 0.02 1 108 13 13 GLU HB2 H 2.336 0.02 1 109 13 13 GLU HB3 H 2.411 0.02 1 110 13 13 GLU HG2 H 2.121 0.02 1 111 13 13 GLU HG3 H 2.280 0.02 1 112 13 13 GLU CA C 57.204 0.40 1 113 13 13 GLU CB C 28.801 0.40 1 114 13 13 GLU CG C 35.823 0.40 1 115 13 13 GLU N N 117.472 0.40 1 116 14 14 LEU H H 7.434 0.02 1 117 14 14 LEU HA H 4.210 0.02 1 118 14 14 LEU HB2 H 1.274 0.02 1 119 14 14 LEU HB3 H 1.457 0.02 1 120 14 14 LEU HG H 1.293 0.02 1 121 14 14 LEU HD1 H 0.529 0.02 1 122 14 14 LEU HD2 H 0.358 0.02 1 123 14 14 LEU CA C 53.789 0.40 1 124 14 14 LEU CB C 41.172 0.40 1 125 14 14 LEU CG C 27.260 0.40 1 126 14 14 LEU CD1 C 21.801 0.40 1 127 14 14 LEU CD2 C 25.913 0.40 1 128 14 14 LEU N N 114.466 0.40 1 129 15 15 LEU H H 7.182 0.02 1 130 15 15 LEU HA H 4.237 0.02 1 131 15 15 LEU HB2 H 0.985 0.02 1 132 15 15 LEU HB3 H 1.678 0.02 1 133 15 15 LEU HG H 1.446 0.02 1 134 15 15 LEU HD1 H 0.726 0.02 1 135 15 15 LEU HD2 H 0.518 0.02 1 136 15 15 LEU CA C 53.713 0.40 1 137 15 15 LEU CB C 43.602 0.40 1 138 15 15 LEU CG C 25.719 0.40 1 139 15 15 LEU CD1 C 25.536 0.40 1 140 15 15 LEU CD2 C 23.462 0.40 1 141 15 15 LEU N N 119.188 0.40 1 142 16 16 CYS H H 8.922 0.02 1 143 16 16 CYS HA H 4.261 0.02 1 144 16 16 CYS HB2 H 3.213 0.02 1 145 16 16 CYS HB3 H 3.732 0.02 1 146 16 16 CYS CA C 59.815 0.40 1 147 16 16 CYS CB C 34.011 0.40 1 148 16 16 CYS N N 128.041 0.40 1 149 17 17 LEU H H 7.782 0.02 1 150 17 17 LEU HA H 4.155 0.02 1 151 17 17 LEU HB2 H 1.722 0.02 1 152 17 17 LEU HB3 H 1.840 0.02 1 153 17 17 LEU HG H 1.932 0.02 1 154 17 17 LEU HD1 H 0.919 0.02 1 155 17 17 LEU HD2 H 0.925 0.02 1 156 17 17 LEU CA C 57.488 0.40 1 157 17 17 LEU CB C 43.161 0.40 1 158 17 17 LEU CG C 27.398 0.40 1 159 17 17 LEU CD1 C 25.335 0.40 1 160 17 17 LEU CD2 C 23.126 0.40 1 161 17 17 LEU N N 128.965 0.40 1 162 18 18 ILE H H 9.382 0.02 1 163 18 18 ILE HA H 4.110 0.02 1 164 18 18 ILE HB H 1.886 0.02 1 165 18 18 ILE HG12 H 1.040 0.02 1 166 18 18 ILE HG13 H 1.714 0.02 1 167 18 18 ILE HG2 H 0.969 0.02 1 168 18 18 ILE HD1 H 0.486 0.02 1 169 18 18 ILE CA C 64.532 0.40 1 170 18 18 ILE CB C 39.516 0.40 1 171 18 18 ILE CG1 C 28.242 0.40 1 172 18 18 ILE CG2 C 16.553 0.40 1 173 18 18 ILE CD1 C 14.344 0.40 1 174 18 18 ILE N N 121.644 0.40 1 175 19 19 CYS H H 8.529 0.02 1 176 19 19 CYS HA H 4.731 0.02 1 177 19 19 CYS HB2 H 3.211 0.02 1 178 19 19 CYS HB3 H 3.211 0.02 1 179 19 19 CYS CA C 59.794 0.40 1 180 19 19 CYS CB C 31.616 0.40 1 181 19 19 CYS N N 119.844 0.40 1 182 20 20 LYS H H 7.896 0.02 1 183 20 20 LYS HA H 4.014 0.02 1 184 20 20 LYS HB2 H 2.005 0.02 1 185 20 20 LYS HB3 H 2.139 0.02 1 186 20 20 LYS HG2 H 1.271 0.02 1 187 20 20 LYS HG3 H 1.356 0.02 1 188 20 20 LYS HD2 H 1.596 0.02 1 189 20 20 LYS HD3 H 1.663 0.02 1 190 20 20 LYS HE2 H 2.993 0.02 1 191 20 20 LYS HE3 H 2.989 0.02 1 192 20 20 LYS CA C 57.191 0.40 1 193 20 20 LYS CB C 28.759 0.40 1 194 20 20 LYS CG C 24.909 0.40 1 195 20 20 LYS CD C 28.683 0.40 1 196 20 20 LYS CE C 42.562 0.40 1 197 20 20 LYS N N 117.424 0.40 1 198 21 21 ASP H H 8.286 0.02 1 199 21 21 ASP HA H 4.985 0.02 1 200 21 21 ASP HB2 H 2.569 0.02 1 201 21 21 ASP HB3 H 2.949 0.02 1 202 21 21 ASP CA C 51.048 0.40 1 203 21 21 ASP CB C 44.411 0.40 1 204 21 21 ASP N N 122.035 0.40 1 205 22 22 ILE H H 9.304 0.02 1 206 22 22 ILE HA H 4.105 0.02 1 207 22 22 ILE HB H 1.549 0.02 1 208 22 22 ILE HG12 H 1.200 0.02 1 209 22 22 ILE HG13 H 1.545 0.02 1 210 22 22 ILE HG2 H 0.915 0.02 1 211 22 22 ILE HD1 H 0.819 0.02 1 212 22 22 ILE CA C 61.591 0.40 1 213 22 22 ILE CB C 38.709 0.40 1 214 22 22 ILE CG1 C 29.496 0.40 1 215 22 22 ILE CG2 C 17.056 0.40 1 216 22 22 ILE CD1 C 15.378 0.40 1 217 22 22 ILE N N 122.320 0.40 1 218 23 23 MET H H 7.821 0.02 1 219 23 23 MET HA H 5.041 0.02 1 220 23 23 MET HB2 H 1.348 0.02 1 221 23 23 MET HB3 H 1.813 0.02 1 222 23 23 MET HG2 H 2.420 0.02 1 223 23 23 MET HG3 H 2.633 0.02 1 224 23 23 MET HE H 1.653 0.02 1 225 23 23 MET CA C 57.627 0.40 1 226 23 23 MET CB C 35.740 0.40 1 227 23 23 MET CG C 33.564 0.40 1 228 23 23 MET CE C 19.210 0.40 1 229 23 23 MET N N 124.632 0.40 1 230 24 24 THR H H 9.011 0.02 1 231 24 24 THR HA H 4.521 0.02 1 232 24 24 THR HB H 4.170 0.02 1 233 24 24 THR HG2 H 1.249 0.02 1 234 24 24 THR CA C 61.951 0.40 1 235 24 24 THR CB C 69.549 0.40 1 236 24 24 THR CG2 C 21.608 0.40 1 237 24 24 THR N N 125.509 0.40 1 238 25 25 ASP H H 9.068 0.02 1 239 25 25 ASP HA H 4.100 0.02 1 240 25 25 ASP HB2 H 2.729 0.02 1 241 25 25 ASP HB3 H 2.840 0.02 1 242 25 25 ASP CA C 55.282 0.40 1 243 25 25 ASP CB C 39.266 0.40 1 244 25 25 ASP N N 130.395 0.40 1 245 26 26 ALA H H 8.308 0.02 1 246 26 26 ALA HA H 4.476 0.02 1 247 26 26 ALA HB H 1.297 0.02 1 248 26 26 ALA CA C 53.554 0.40 1 249 26 26 ALA CB C 21.597 0.40 1 250 26 26 ALA N N 120.827 0.40 1 251 27 27 VAL H H 9.399 0.02 1 252 27 27 VAL HA H 5.186 0.02 1 253 27 27 VAL HB H 1.972 0.02 1 254 27 27 VAL HG1 H 1.022 0.02 1 255 27 27 VAL HG2 H 0.986 0.02 1 256 27 27 VAL CA C 58.936 0.40 1 257 27 27 VAL CB C 35.982 0.40 1 258 27 27 VAL CG1 C 21.329 0.40 1 259 27 27 VAL CG2 C 20.731 0.40 1 260 27 27 VAL N N 119.480 0.40 1 261 28 28 VAL H H 9.447 0.02 1 262 28 28 VAL HA H 5.087 0.02 1 263 28 28 VAL HB H 1.823 0.02 1 264 28 28 VAL HG1 H 0.884 0.02 1 265 28 28 VAL HG2 H 0.873 0.02 1 266 28 28 VAL CA C 59.234 0.40 1 267 28 28 VAL CB C 35.280 0.40 1 268 28 28 VAL CG1 C 22.308 0.40 1 269 28 28 VAL CG2 C 21.063 0.40 1 270 28 28 VAL N N 119.654 0.40 1 271 29 29 ILE H H 8.615 0.02 1 272 29 29 ILE HA H 5.108 0.02 1 273 29 29 ILE HB H 1.686 0.02 1 274 29 29 ILE HG12 H 1.519 0.02 1 275 29 29 ILE HG13 H 2.422 0.02 1 276 29 29 ILE HG2 H 1.732 0.02 1 277 29 29 ILE HD1 H 1.142 0.02 1 278 29 29 ILE CA C 57.028 0.40 1 279 29 29 ILE CB C 44.341 0.40 1 280 29 29 ILE CG1 C 30.597 0.40 1 281 29 29 ILE CG2 C 19.510 0.40 1 282 29 29 ILE CD1 C 15.042 0.40 1 283 29 29 ILE N N 129.312 0.40 1 284 30 30 PRO HA H 4.392 0.02 1 285 30 30 PRO HB2 H 2.090 0.02 1 286 30 30 PRO HB3 H 2.260 0.02 1 287 30 30 PRO HG2 H 2.077 0.02 1 288 30 30 PRO HG3 H 2.045 0.02 1 289 30 30 PRO HD2 H 3.710 0.02 1 290 30 30 PRO HD3 H 3.790 0.02 1 291 30 30 PRO CA C 64.947 0.40 1 292 30 30 PRO CB C 32.349 0.40 1 293 30 30 PRO CG C 27.821 0.40 1 294 30 30 PRO CD C 51.333 0.40 1 295 31 31 CYS H H 8.488 0.02 1 296 31 31 CYS HA H 4.255 0.02 1 297 31 31 CYS HB2 H 2.717 0.02 1 298 31 31 CYS HB3 H 2.834 0.02 1 299 31 31 CYS CA C 56.806 0.40 1 300 31 31 CYS CB C 29.134 0.40 1 301 31 31 CYS N N 123.111 0.40 1 302 32 32 CYS H H 8.308 0.02 1 303 32 32 CYS HA H 4.979 0.02 1 304 32 32 CYS HB2 H 2.756 0.02 1 305 32 32 CYS HB3 H 3.012 0.02 1 306 32 32 CYS CA C 57.115 0.40 1 307 32 32 CYS CB C 32.084 0.40 1 308 32 32 CYS N N 116.576 0.40 1 309 33 33 GLY H H 8.098 0.02 1 310 33 33 GLY HA2 H 3.899 0.02 1 311 33 33 GLY HA3 H 4.343 0.02 1 312 33 33 GLY CA C 47.202 0.40 1 313 33 33 GLY N N 112.249 0.40 1 314 34 34 ASN H H 7.337 0.02 1 315 34 34 ASN HA H 4.654 0.02 1 316 34 34 ASN HB2 H 2.245 0.02 1 317 34 34 ASN HB3 H 3.026 0.02 1 318 34 34 ASN HD21 H 8.930 0.02 1 319 34 34 ASN HD22 H 7.501 0.02 1 320 34 34 ASN CA C 55.047 0.40 1 321 34 34 ASN CB C 40.946 0.40 1 322 34 34 ASN N N 119.926 0.40 1 323 34 34 ASN ND2 N 121.806 0.40 1 324 35 35 SER H H 8.081 0.02 1 325 35 35 SER HA H 6.080 0.02 1 326 35 35 SER HB2 H 2.975 0.02 1 327 35 35 SER HB3 H 3.407 0.02 1 328 35 35 SER CA C 57.910 0.40 1 329 35 35 SER CB C 67.097 0.40 1 330 35 35 SER N N 122.355 0.40 1 331 36 36 TYR H H 8.382 0.02 1 332 36 36 TYR HA H 5.041 0.02 1 333 36 36 TYR HB2 H 2.274 0.02 1 334 36 36 TYR HB3 H 3.353 0.02 1 335 36 36 TYR HD1 H 6.845 0.02 3 336 36 36 TYR HD2 H 6.845 0.02 3 337 36 36 TYR HE1 H 6.484 0.02 3 338 36 36 TYR HE2 H 6.484 0.02 3 339 36 36 TYR HH H 5.979 0.02 1 340 36 36 TYR CA C 55.337 0.40 1 341 36 36 TYR CB C 44.956 0.40 1 342 36 36 TYR CD1 C 133.384 0.40 3 343 36 36 TYR CE1 C 117.376 0.40 3 344 36 36 TYR N N 116.266 0.40 1 345 37 37 CYS H H 8.834 0.02 1 346 37 37 CYS HA H 4.257 0.02 1 347 37 37 CYS HB2 H 3.359 0.02 1 348 37 37 CYS HB3 H 3.633 0.02 1 349 37 37 CYS CA C 60.971 0.40 1 350 37 37 CYS CB C 31.861 0.40 1 351 37 37 CYS N N 122.941 0.40 1 352 38 38 ASP H H 7.220 0.02 1 353 38 38 ASP HA H 4.255 0.02 1 354 38 38 ASP HB2 H 2.707 0.02 1 355 38 38 ASP HB3 H 3.342 0.02 1 356 38 38 ASP CA C 59.062 0.40 1 357 38 38 ASP CB C 42.404 0.40 1 358 38 38 ASP N N 123.874 0.40 1 359 39 39 GLU H H 8.933 0.02 1 360 39 39 GLU HA H 3.950 0.02 1 361 39 39 GLU HB2 H 2.046 0.02 1 362 39 39 GLU HB3 H 2.088 0.02 1 363 39 39 GLU HG2 H 2.296 0.02 1 364 39 39 GLU HG3 H 2.328 0.02 1 365 39 39 GLU CA C 59.695 0.40 1 366 39 39 GLU CB C 30.037 0.40 1 367 39 39 GLU CG C 36.196 0.40 1 368 39 39 GLU N N 114.086 0.40 1 369 40 40 CYS H H 6.892 0.02 1 370 40 40 CYS HA H 3.971 0.02 1 371 40 40 CYS HB2 H 2.931 0.02 1 372 40 40 CYS HB3 H 2.924 0.02 1 373 40 40 CYS CA C 63.993 0.40 1 374 40 40 CYS CB C 30.120 0.40 1 375 40 40 CYS N N 117.477 0.40 1 376 41 41 ILE H H 7.710 0.02 1 377 41 41 ILE HA H 4.059 0.02 1 378 41 41 ILE HB H 1.051 0.02 1 379 41 41 ILE HG12 H 0.865 0.02 1 380 41 41 ILE HG13 H 0.957 0.02 1 381 41 41 ILE HG2 H 1.048 0.02 1 382 41 41 ILE HD1 H 0.188 0.02 1 383 41 41 ILE CA C 58.757 0.40 1 384 41 41 ILE CB C 37.589 0.40 1 385 41 41 ILE CG1 C 30.676 0.40 1 386 41 41 ILE CG2 C 21.371 0.40 1 387 41 41 ILE CD1 C 13.843 0.40 1 388 41 41 ILE N N 117.952 0.40 1 389 42 42 ARG H H 8.384 0.02 1 390 42 42 ARG HA H 3.649 0.02 1 391 42 42 ARG HB2 H 1.719 0.02 1 392 42 42 ARG HB3 H 1.831 0.02 1 393 42 42 ARG HG2 H 1.419 0.02 1 394 42 42 ARG HG3 H 1.621 0.02 1 395 42 42 ARG HD2 H 2.942 0.02 1 396 42 42 ARG HD3 H 3.259 0.02 1 397 42 42 ARG HE H 8.467 0.02 1 398 42 42 ARG HH11 H 7.006 0.02 1 399 42 42 ARG HH21 H 6.665 0.02 1 400 42 42 ARG CA C 61.724 0.40 1 401 42 42 ARG CB C 30.523 0.40 1 402 42 42 ARG CG C 29.102 0.40 1 403 42 42 ARG CD C 42.785 0.40 1 404 42 42 ARG N N 126.302 0.40 1 405 42 42 ARG NE N 85.429 0.40 1 406 43 43 THR H H 7.681 0.02 1 407 43 43 THR HA H 3.819 0.02 1 408 43 43 THR HB H 4.237 0.02 1 409 43 43 THR HG2 H 1.206 0.02 1 410 43 43 THR CA C 66.818 0.40 1 411 43 43 THR CB C 68.809 0.40 1 412 43 43 THR CG2 C 21.561 0.40 1 413 43 43 THR N N 112.719 0.40 1 414 44 44 ALA H H 7.474 0.02 1 415 44 44 ALA HA H 4.117 0.02 1 416 44 44 ALA HB H 1.421 0.02 1 417 44 44 ALA CA C 55.297 0.40 1 418 44 44 ALA CB C 18.157 0.40 1 419 44 44 ALA N N 123.181 0.40 1 420 45 45 LEU H H 8.397 0.02 1 421 45 45 LEU HA H 3.999 0.02 1 422 45 45 LEU HB2 H 1.077 0.02 1 423 45 45 LEU HB3 H 1.858 0.02 1 424 45 45 LEU HG H 1.756 0.02 1 425 45 45 LEU HD1 H 0.613 0.02 1 426 45 45 LEU HD2 H 0.645 0.02 1 427 45 45 LEU CA C 57.922 0.40 1 428 45 45 LEU CB C 42.759 0.40 1 429 45 45 LEU CG C 26.367 0.40 1 430 45 45 LEU CD1 C 25.392 0.40 1 431 45 45 LEU CD2 C 20.757 0.40 1 432 45 45 LEU N N 117.577 0.40 1 433 46 46 LEU H H 7.932 0.02 1 434 46 46 LEU HA H 4.189 0.02 1 435 46 46 LEU HB2 H 1.613 0.02 1 436 46 46 LEU HB3 H 1.918 0.02 1 437 46 46 LEU HG H 1.767 0.02 1 438 46 46 LEU HD1 H 0.859 0.02 1 439 46 46 LEU HD2 H 0.861 0.02 1 440 46 46 LEU CA C 57.186 0.40 1 441 46 46 LEU CB C 42.139 0.40 1 442 46 46 LEU CG C 27.053 0.40 1 443 46 46 LEU CD1 C 25.277 0.40 1 444 46 46 LEU CD2 C 23.134 0.40 1 445 46 46 LEU N N 118.062 0.40 1 446 47 47 GLU H H 7.912 0.02 1 447 47 47 GLU HA H 4.175 0.02 1 448 47 47 GLU HB2 H 2.080 0.02 1 449 47 47 GLU HB3 H 2.134 0.02 1 450 47 47 GLU HG2 H 2.346 0.02 1 451 47 47 GLU HG3 H 2.558 0.02 1 452 47 47 GLU CA C 57.628 0.40 1 453 47 47 GLU CB C 29.770 0.40 1 454 47 47 GLU CG C 36.587 0.40 1 455 47 47 GLU N N 118.444 0.40 1 456 48 48 SER H H 7.413 0.02 1 457 48 48 SER HA H 4.723 0.02 1 458 48 48 SER HB2 H 4.049 0.02 1 459 48 48 SER HB3 H 4.185 0.02 1 460 48 48 SER CA C 56.588 0.40 1 461 48 48 SER CB C 64.915 0.40 1 462 48 48 SER N N 113.592 0.40 1 463 49 49 ASP H H 8.903 0.02 1 464 49 49 ASP HA H 4.265 0.02 1 465 49 49 ASP HB2 H 2.631 0.02 1 466 49 49 ASP HB3 H 2.631 0.02 1 467 49 49 ASP CA C 56.881 0.40 1 468 49 49 ASP CB C 40.507 0.40 1 469 49 49 ASP N N 126.634 0.40 1 470 50 50 GLU H H 7.903 0.02 1 471 50 50 GLU HA H 4.220 0.02 1 472 50 50 GLU HB2 H 1.716 0.02 1 473 50 50 GLU HB3 H 2.138 0.02 1 474 50 50 GLU HG2 H 2.145 0.02 1 475 50 50 GLU HG3 H 2.145 0.02 1 476 50 50 GLU CA C 56.214 0.40 1 477 50 50 GLU CB C 29.581 0.40 1 478 50 50 GLU CG C 36.761 0.40 1 479 50 50 GLU N N 116.471 0.40 1 480 51 51 HIS H H 7.830 0.02 1 481 51 51 HIS HA H 4.695 0.02 1 482 51 51 HIS HB2 H 3.226 0.02 1 483 51 51 HIS HB3 H 3.756 0.02 1 484 51 51 HIS HD2 H 7.700 0.02 1 485 51 51 HIS HE1 H 8.652 0.02 1 486 51 51 HIS CA C 55.119 0.40 1 487 51 51 HIS CB C 26.492 0.40 1 488 51 51 HIS CD2 C 119.264 0.40 1 489 51 51 HIS CE1 C 136.153 0.40 1 490 51 51 HIS N N 116.375 0.40 1 491 52 52 THR H H 7.961 0.02 1 492 52 52 THR HA H 4.805 0.02 1 493 52 52 THR HB H 3.620 0.02 1 494 52 52 THR HG2 H 1.038 0.02 1 495 52 52 THR CA C 61.898 0.40 1 496 52 52 THR CB C 70.587 0.40 1 497 52 52 THR CG2 C 21.456 0.40 1 498 52 52 THR N N 115.934 0.40 1 499 53 53 CYS H H 8.827 0.02 1 500 53 53 CYS HA H 4.228 0.02 1 501 53 53 CYS HB2 H 3.018 0.02 1 502 53 53 CYS HB3 H 3.413 0.02 1 503 53 53 CYS CA C 57.130 0.40 1 504 53 53 CYS CB C 32.686 0.40 1 505 53 53 CYS N N 131.616 0.40 1 506 54 54 PRO HA H 4.398 0.02 1 507 54 54 PRO HB2 H 1.932 0.02 1 508 54 54 PRO HB3 H 2.239 0.02 1 509 54 54 PRO HG2 H 1.590 0.02 1 510 54 54 PRO HG3 H 1.728 0.02 1 511 54 54 PRO HD2 H 3.464 0.02 1 512 54 54 PRO HD3 H 4.022 0.02 1 513 54 54 PRO CA C 63.867 0.40 1 514 54 54 PRO CB C 32.002 0.40 1 515 54 54 PRO CG C 26.550 0.40 1 516 54 54 PRO CD C 50.724 0.40 1 517 55 55 THR H H 9.338 0.02 1 518 55 55 THR HA H 4.264 0.02 1 519 55 55 THR HB H 4.008 0.02 1 520 55 55 THR HG2 H 1.183 0.02 1 521 55 55 THR CA C 65.207 0.40 1 522 55 55 THR CB C 68.864 0.40 1 523 55 55 THR CG2 C 22.775 0.40 1 524 55 55 THR N N 121.430 0.40 1 525 56 56 CYS H H 9.362 0.02 1 526 56 56 CYS HA H 4.754 0.02 1 527 56 56 CYS HB2 H 2.379 0.02 1 528 56 56 CYS HB3 H 3.173 0.02 1 529 56 56 CYS CA C 58.987 0.40 1 530 56 56 CYS CB C 31.056 0.40 1 531 56 56 CYS N N 124.692 0.40 1 532 57 57 HIS H H 7.295 0.02 1 533 57 57 HIS HA H 4.526 0.02 1 534 57 57 HIS HB2 H 3.385 0.02 1 535 57 57 HIS HB3 H 3.526 0.02 1 536 57 57 HIS HD2 H 7.133 0.02 1 537 57 57 HIS HE1 H 8.465 0.02 1 538 57 57 HIS CA C 56.676 0.40 1 539 57 57 HIS CB C 25.911 0.40 1 540 57 57 HIS CD2 C 119.689 0.40 1 541 57 57 HIS CE1 C 136.139 0.40 1 542 57 57 HIS N N 115.438 0.40 1 543 58 58 GLN H H 8.590 0.02 1 544 58 58 GLN HA H 4.163 0.02 1 545 58 58 GLN HB2 H 1.848 0.02 1 546 58 58 GLN HB3 H 2.291 0.02 1 547 58 58 GLN HG2 H 2.505 0.02 1 548 58 58 GLN HG3 H 2.447 0.02 1 549 58 58 GLN HE21 H 7.865 0.02 1 550 58 58 GLN HE22 H 6.910 0.02 1 551 58 58 GLN CA C 57.757 0.40 1 552 58 58 GLN CB C 29.682 0.40 1 553 58 58 GLN CG C 34.233 0.40 1 554 58 58 GLN N N 124.369 0.40 1 555 58 58 GLN NE2 N 114.974 0.40 1 556 59 59 ASN H H 8.300 0.02 1 557 59 59 ASN HA H 4.885 0.02 1 558 59 59 ASN HB2 H 2.760 0.02 1 559 59 59 ASN HB3 H 2.866 0.02 1 560 59 59 ASN HD21 H 7.548 0.02 1 561 59 59 ASN HD22 H 6.778 0.02 1 562 59 59 ASN CA C 52.586 0.40 1 563 59 59 ASN CB C 40.503 0.40 1 564 59 59 ASN N N 122.731 0.40 1 565 59 59 ASN ND2 N 113.067 0.40 1 566 60 60 ASP H H 8.881 0.02 1 567 60 60 ASP HA H 4.256 0.02 1 568 60 60 ASP HB2 H 2.619 0.02 1 569 60 60 ASP HB3 H 3.051 0.02 1 570 60 60 ASP CA C 55.434 0.40 1 571 60 60 ASP CB C 39.391 0.40 1 572 60 60 ASP N N 116.350 0.40 1 573 61 61 VAL H H 9.029 0.02 1 574 61 61 VAL HA H 3.859 0.02 1 575 61 61 VAL HB H 2.098 0.02 1 576 61 61 VAL HG1 H 0.837 0.02 1 577 61 61 VAL HG2 H 0.965 0.02 1 578 61 61 VAL CA C 63.066 0.40 1 579 61 61 VAL CB C 31.133 0.40 1 580 61 61 VAL CG1 C 20.863 0.40 1 581 61 61 VAL CG2 C 20.402 0.40 1 582 61 61 VAL N N 123.835 0.40 1 583 62 62 SER H H 8.124 0.02 1 584 62 62 SER HA H 4.495 0.02 1 585 62 62 SER HB2 H 3.770 0.02 1 586 62 62 SER HB3 H 4.018 0.02 1 587 62 62 SER CA C 55.243 0.40 1 588 62 62 SER CB C 64.357 0.40 1 589 62 62 SER N N 119.772 0.40 1 590 63 63 PRO HA H 4.094 0.02 1 591 63 63 PRO HB2 H 2.048 0.02 1 592 63 63 PRO HB3 H 2.122 0.02 1 593 63 63 PRO HG2 H 1.721 0.02 1 594 63 63 PRO HG3 H 1.986 0.02 1 595 63 63 PRO HD2 H 3.500 0.02 1 596 63 63 PRO HD3 H 3.760 0.02 1 597 63 63 PRO CA C 64.264 0.40 1 598 63 63 PRO CB C 31.928 0.40 1 599 63 63 PRO CG C 27.423 0.40 1 600 63 63 PRO CD C 49.975 0.40 1 601 64 64 ASP H H 7.820 0.02 1 602 64 64 ASP HA H 4.528 0.02 1 603 64 64 ASP HB2 H 2.514 0.02 1 604 64 64 ASP HB3 H 2.762 0.02 1 605 64 64 ASP CA C 55.518 0.40 1 606 64 64 ASP CB C 40.373 0.40 1 607 64 64 ASP N N 115.409 0.40 1 608 65 65 ALA H H 8.050 0.02 1 609 65 65 ALA HA H 4.410 0.02 1 610 65 65 ALA HB H 1.558 0.02 1 611 65 65 ALA CA C 51.719 0.40 1 612 65 65 ALA CB C 19.766 0.40 1 613 65 65 ALA N N 122.285 0.40 1 614 66 66 LEU H H 6.877 0.02 1 615 66 66 LEU HA H 4.379 0.02 1 616 66 66 LEU HB2 H 1.042 0.02 1 617 66 66 LEU HB3 H 1.930 0.02 1 618 66 66 LEU HG H 1.847 0.02 1 619 66 66 LEU HD1 H 0.944 0.02 1 620 66 66 LEU HD2 H 0.851 0.02 1 621 66 66 LEU CA C 55.559 0.40 1 622 66 66 LEU CB C 42.130 0.40 1 623 66 66 LEU CG C 27.111 0.40 1 624 66 66 LEU CD1 C 26.554 0.40 1 625 66 66 LEU CD2 C 22.870 0.40 1 626 66 66 LEU N N 117.570 0.40 1 627 67 67 ILE H H 8.108 0.02 1 628 67 67 ILE HA H 4.437 0.02 1 629 67 67 ILE HB H 1.684 0.02 1 630 67 67 ILE HG12 H 1.169 0.02 1 631 67 67 ILE HG13 H 1.669 0.02 1 632 67 67 ILE HG2 H 0.970 0.02 1 633 67 67 ILE HD1 H 0.856 0.02 1 634 67 67 ILE CA C 59.129 0.40 1 635 67 67 ILE CB C 41.587 0.40 1 636 67 67 ILE CG1 C 27.117 0.40 1 637 67 67 ILE CG2 C 17.795 0.40 1 638 67 67 ILE CD1 C 14.028 0.40 1 639 67 67 ILE N N 122.877 0.40 1 640 68 68 ALA H H 8.870 0.02 1 641 68 68 ALA HA H 4.130 0.02 1 642 68 68 ALA HB H 1.239 0.02 1 643 68 68 ALA CA C 53.983 0.40 1 644 68 68 ALA CB C 18.400 0.40 1 645 68 68 ALA N N 129.158 0.40 1 646 69 69 ASN H H 8.044 0.02 1 647 69 69 ASN HA H 4.818 0.02 1 648 69 69 ASN HB2 H 2.279 0.02 1 649 69 69 ASN HB3 H 3.067 0.02 1 650 69 69 ASN HD21 H 7.559 0.02 1 651 69 69 ASN HD22 H 7.039 0.02 1 652 69 69 ASN CA C 50.329 0.40 1 653 69 69 ASN CB C 36.926 0.40 1 654 69 69 ASN N N 120.109 0.40 1 655 69 69 ASN ND2 N 115.009 0.40 1 656 70 70 LYS H H 8.200 0.02 1 657 70 70 LYS HA H 3.774 0.02 1 658 70 70 LYS HB2 H 1.858 0.02 1 659 70 70 LYS HB3 H 1.858 0.02 1 660 70 70 LYS HG2 H 1.309 0.02 1 661 70 70 LYS HG3 H 1.540 0.02 1 662 70 70 LYS HD2 H 1.708 0.02 1 663 70 70 LYS HD3 H 1.624 0.02 1 664 70 70 LYS HE2 H 2.938 0.02 1 665 70 70 LYS HE3 H 2.998 0.02 1 666 70 70 LYS CA C 61.351 0.40 1 667 70 70 LYS CB C 32.382 0.40 1 668 70 70 LYS CG C 25.687 0.40 1 669 70 70 LYS CD C 29.084 0.40 1 670 70 70 LYS CE C 42.070 0.40 1 671 70 70 LYS N N 123.726 0.40 1 672 71 71 PHE HA H 4.327 0.02 1 673 71 71 PHE HB2 H 3.092 0.02 1 674 71 71 PHE HB3 H 3.223 0.02 1 675 71 71 PHE HD1 H 7.345 0.02 3 676 71 71 PHE HD2 H 7.345 0.02 3 677 71 71 PHE HE1 H 7.370 0.02 3 678 71 71 PHE HE2 H 7.370 0.02 3 679 71 71 PHE HZ H 7.270 0.02 1 680 71 71 PHE CA C 61.068 0.40 1 681 71 71 PHE CB C 38.558 0.40 1 682 71 71 PHE CD1 C 131.573 0.40 3 683 71 71 PHE CE1 C 131.529 0.40 3 684 71 71 PHE CZ C 130.496 0.40 1 685 72 72 LEU HA H 3.834 0.02 1 686 72 72 LEU HB2 H 1.166 0.02 1 687 72 72 LEU HB3 H 1.311 0.02 1 688 72 72 LEU HG H 1.308 0.02 1 689 72 72 LEU HD1 H 0.745 0.02 1 690 72 72 LEU HD2 H 0.621 0.02 1 691 72 72 LEU CA C 56.658 0.40 1 692 72 72 LEU CB C 42.615 0.40 1 693 72 72 LEU CG C 27.468 0.40 1 694 72 72 LEU CD1 C 25.509 0.40 1 695 72 72 LEU CD2 C 24.316 0.40 1 696 73 73 ARG H H 8.358 0.02 1 697 73 73 ARG HA H 4.094 0.02 1 698 73 73 ARG HB2 H 2.088 0.02 1 699 73 73 ARG HB3 H 2.088 0.02 1 700 73 73 ARG HG2 H 1.766 0.02 1 701 73 73 ARG HG3 H 1.889 0.02 1 702 73 73 ARG HD2 H 2.769 0.02 1 703 73 73 ARG HD3 H 3.449 0.02 1 704 73 73 ARG HE H 7.853 0.02 1 705 73 73 ARG CA C 59.901 0.40 1 706 73 73 ARG CB C 31.889 0.40 1 707 73 73 ARG CG C 29.776 0.40 1 708 73 73 ARG CD C 44.312 0.40 1 709 73 73 ARG N N 118.510 0.40 1 710 73 73 ARG NE N 85.703 0.40 1 711 74 74 GLN H H 7.719 0.02 1 712 74 74 GLN HA H 4.069 0.02 1 713 74 74 GLN HB2 H 2.131 0.02 1 714 74 74 GLN HB3 H 2.131 0.02 1 715 74 74 GLN HG2 H 2.350 0.02 1 716 74 74 GLN HG3 H 2.382 0.02 1 717 74 74 GLN HE21 H 7.361 0.02 1 718 74 74 GLN HE22 H 6.873 0.02 1 719 74 74 GLN CA C 58.721 0.40 1 720 74 74 GLN CB C 28.312 0.40 1 721 74 74 GLN CG C 33.786 0.40 1 722 74 74 GLN N N 119.268 0.40 1 723 74 74 GLN NE2 N 112.993 0.40 1 724 75 75 ALA H H 7.849 0.02 1 725 75 75 ALA HA H 4.134 0.02 1 726 75 75 ALA HB H 1.404 0.02 1 727 75 75 ALA CA C 55.410 0.40 1 728 75 75 ALA CB C 18.214 0.40 1 729 75 75 ALA N N 124.102 0.40 1 730 76 76 VAL H H 8.762 0.02 1 731 76 76 VAL HA H 3.592 0.02 1 732 76 76 VAL HB H 2.281 0.02 1 733 76 76 VAL HG1 H 1.140 0.02 1 734 76 76 VAL HG2 H 1.140 0.02 1 735 76 76 VAL CA C 67.581 0.40 1 736 76 76 VAL CB C 32.022 0.40 1 737 76 76 VAL CG1 C 23.947 0.40 1 738 76 76 VAL CG2 C 20.817 0.40 1 739 76 76 VAL N N 121.320 0.40 1 740 77 77 ASN H H 8.127 0.02 1 741 77 77 ASN HA H 4.411 0.02 1 742 77 77 ASN HB2 H 2.891 0.02 1 743 77 77 ASN HB3 H 2.875 0.02 1 744 77 77 ASN HD21 H 7.530 0.02 1 745 77 77 ASN HD22 H 6.915 0.02 1 746 77 77 ASN CA C 56.432 0.40 1 747 77 77 ASN CB C 37.605 0.40 1 748 77 77 ASN N N 119.887 0.40 1 749 77 77 ASN ND2 N 112.379 0.40 1 750 78 78 ASN H H 8.730 0.02 1 751 78 78 ASN HA H 4.496 0.02 1 752 78 78 ASN HB2 H 2.950 0.02 1 753 78 78 ASN HB3 H 2.950 0.02 1 754 78 78 ASN HD21 H 7.799 0.02 1 755 78 78 ASN HD22 H 7.025 0.02 1 756 78 78 ASN CA C 55.927 0.40 1 757 78 78 ASN CB C 37.551 0.40 1 758 78 78 ASN N N 119.864 0.40 1 759 78 78 ASN ND2 N 112.667 0.40 1 760 79 79 PHE H H 8.294 0.02 1 761 79 79 PHE HA H 4.267 0.02 1 762 79 79 PHE HB2 H 3.189 0.02 1 763 79 79 PHE HB3 H 3.189 0.02 1 764 79 79 PHE HD1 H 7.068 0.02 3 765 79 79 PHE HD2 H 7.068 0.02 3 766 79 79 PHE HE1 H 7.177 0.02 3 767 79 79 PHE HE2 H 7.177 0.02 3 768 79 79 PHE HZ H 7.251 0.02 1 769 79 79 PHE CA C 62.034 0.40 1 770 79 79 PHE CB C 39.774 0.40 1 771 79 79 PHE CD1 C 131.700 0.40 3 772 79 79 PHE CE1 C 131.693 0.40 3 773 79 79 PHE CZ C 130.528 0.40 1 774 79 79 PHE N N 122.588 0.40 1 775 80 80 LYS H H 8.795 0.02 1 776 80 80 LYS HA H 3.795 0.02 1 777 80 80 LYS HB2 H 1.994 0.02 1 778 80 80 LYS HG2 H 1.480 0.02 1 779 80 80 LYS HG3 H 1.993 0.02 1 780 80 80 LYS HD2 H 1.749 0.02 1 781 80 80 LYS HD3 H 1.811 0.02 1 782 80 80 LYS HE2 H 2.942 0.02 1 783 80 80 LYS CA C 60.496 0.40 1 784 80 80 LYS CB C 32.357 0.40 1 785 80 80 LYS CG C 26.281 0.40 1 786 80 80 LYS CD C 29.965 0.40 1 787 80 80 LYS CE C 41.961 0.40 1 788 80 80 LYS N N 121.129 0.40 1 789 81 81 ASN H H 8.148 0.02 1 790 81 81 ASN HA H 4.540 0.02 1 791 81 81 ASN HB2 H 2.928 0.02 1 792 81 81 ASN HB3 H 2.928 0.02 1 793 81 81 ASN HD21 H 7.710 0.02 1 794 81 81 ASN HD22 H 6.857 0.02 1 795 81 81 ASN CA C 55.186 0.40 1 796 81 81 ASN CB C 38.717 0.40 1 797 81 81 ASN N N 118.197 0.40 1 798 81 81 ASN ND2 N 113.401 0.40 1 799 82 82 GLU H H 8.102 0.02 1 800 82 82 GLU HA H 4.095 0.02 1 801 82 82 GLU HB2 H 2.065 0.02 1 802 82 82 GLU HB3 H 2.065 0.02 1 803 82 82 GLU HG2 H 2.298 0.02 1 804 82 82 GLU HG3 H 2.298 0.02 1 805 82 82 GLU CA C 58.268 0.40 1 806 82 82 GLU CB C 29.715 0.40 1 807 82 82 GLU CG C 36.122 0.40 1 808 82 82 GLU N N 118.396 0.40 1 809 83 83 THR H H 7.797 0.02 1 810 83 83 THR HA H 4.329 0.02 1 811 83 83 THR HB H 4.062 0.02 1 812 83 83 THR HG2 H 0.868 0.02 1 813 83 83 THR CA C 62.112 0.40 1 814 83 83 THR CB C 71.081 0.40 1 815 83 83 THR CG2 C 20.811 0.40 1 816 83 83 THR N N 108.310 0.40 1 817 84 84 GLY H H 8.099 0.02 1 818 84 84 GLY HA2 H 3.928 0.02 1 819 84 84 GLY HA3 H 4.106 0.02 1 820 84 84 GLY CA C 45.893 0.40 1 821 84 84 GLY N N 111.713 0.40 1 822 85 85 TYR H H 7.883 0.02 1 823 85 85 TYR HA H 4.173 0.02 1 824 85 85 TYR HB2 H 2.649 0.02 1 825 85 85 TYR HB3 H 3.081 0.02 1 826 85 85 TYR HD1 H 7.062 0.02 3 827 85 85 TYR HD2 H 7.062 0.02 3 828 85 85 TYR HE1 H 6.806 0.02 3 829 85 85 TYR HE2 H 6.806 0.02 3 830 85 85 TYR CA C 60.318 0.40 1 831 85 85 TYR CB C 39.473 0.40 1 832 85 85 TYR CD1 C 132.880 0.40 3 833 85 85 TYR CE1 C 118.463 0.40 3 834 85 85 TYR N N 121.269 0.40 1 835 86 86 THR H H 7.550 0.02 1 836 86 86 THR HA H 4.171 0.02 1 837 86 86 THR HB H 4.045 0.02 1 838 86 86 THR HG2 H 1.079 0.02 1 839 86 86 THR CA C 61.471 0.40 1 840 86 86 THR CB C 70.354 0.40 1 841 86 86 THR CG2 C 21.436 0.40 1 842 86 86 THR N N 117.874 0.40 1 843 87 87 LYS H H 7.953 0.02 1 844 87 87 LYS HA H 4.212 0.02 1 845 87 87 LYS HB2 H 1.703 0.02 1 846 87 87 LYS HB3 H 1.804 0.02 1 847 87 87 LYS HG2 H 1.411 0.02 1 848 87 87 LYS HG3 H 1.411 0.02 1 849 87 87 LYS HD2 H 1.667 0.02 1 850 87 87 LYS HD3 H 1.679 0.02 1 851 87 87 LYS HE2 H 2.968 0.02 1 852 87 87 LYS CA C 56.560 0.40 1 853 87 87 LYS CB C 33.129 0.40 1 854 87 87 LYS CG C 24.934 0.40 1 855 87 87 LYS CD C 29.227 0.40 1 856 87 87 LYS CE C 42.403 0.40 1 857 87 87 LYS N N 123.140 0.40 1 858 88 88 ARG H H 8.575 0.02 1 859 88 88 ARG HA H 4.272 0.02 1 860 88 88 ARG HB2 H 1.748 0.02 1 861 88 88 ARG HB3 H 1.836 0.02 1 862 88 88 ARG HG2 H 1.638 0.02 1 863 88 88 ARG HG3 H 1.638 0.02 1 864 88 88 ARG HD2 H 3.222 0.02 1 865 88 88 ARG HD3 H 3.222 0.02 1 866 88 88 ARG HE H 7.330 0.02 1 867 88 88 ARG CA C 56.388 0.40 1 868 88 88 ARG CB C 30.814 0.40 1 869 88 88 ARG CG C 27.210 0.40 1 870 88 88 ARG CD C 43.432 0.40 1 871 88 88 ARG N N 123.860 0.40 1 872 88 88 ARG NE N 85.381 0.40 1 873 89 89 LEU H H 8.187 0.02 1 874 89 89 LEU HA H 4.310 0.02 1 875 89 89 LEU HB2 H 1.568 0.02 1 876 89 89 LEU HB3 H 1.657 0.02 1 877 89 89 LEU HG H 1.656 0.02 1 878 89 89 LEU HD1 H 0.938 0.02 1 879 89 89 LEU HD2 H 0.871 0.02 1 880 89 89 LEU CA C 55.232 0.40 1 881 89 89 LEU CB C 42.257 0.40 1 882 89 89 LEU CG C 27.040 0.40 1 883 89 89 LEU CD1 C 25.013 0.40 1 884 89 89 LEU CD2 C 23.577 0.40 1 885 89 89 LEU N N 123.683 0.40 1 886 90 90 ARG H H 8.276 0.02 1 887 90 90 ARG HA H 4.344 0.02 1 888 90 90 ARG HB2 H 1.774 0.02 1 889 90 90 ARG HB3 H 1.856 0.02 1 890 90 90 ARG HG2 H 1.635 0.02 1 891 90 90 ARG HG3 H 1.635 0.02 1 892 90 90 ARG HD2 H 3.210 0.02 1 893 90 90 ARG HD3 H 3.210 0.02 1 894 90 90 ARG HE H 7.259 0.02 1 895 90 90 ARG CA C 55.860 0.40 1 896 90 90 ARG CB C 30.986 0.40 1 897 90 90 ARG CG C 27.210 0.40 1 898 90 90 ARG CD C 43.449 0.40 1 899 90 90 ARG N N 122.842 0.40 1 900 90 90 ARG NE N 85.613 0.40 1 901 91 91 LYS H H 8.373 0.02 1 902 91 91 LYS HA H 4.310 0.02 1 903 91 91 LYS HB2 H 1.776 0.02 1 904 91 91 LYS HB3 H 1.860 0.02 1 905 91 91 LYS HG2 H 1.449 0.02 1 906 91 91 LYS HD2 H 1.689 0.02 1 907 91 91 LYS HE2 H 3.006 0.02 1 908 91 91 LYS CA C 56.486 0.40 1 909 91 91 LYS CB C 33.063 0.40 1 910 91 91 LYS CG C 24.742 0.40 1 911 91 91 LYS CD C 29.135 0.40 1 912 91 91 LYS CE C 42.220 0.40 1 913 91 91 LYS N N 124.329 0.40 1 914 92 92 GLN H H 8.044 0.02 1 915 92 92 GLN HA H 4.164 0.02 1 916 92 92 GLN HB2 H 1.911 0.02 1 917 92 92 GLN HB3 H 2.101 0.02 1 918 92 92 GLN HG2 H 2.292 0.02 1 919 92 92 GLN HG3 H 2.292 0.02 1 920 92 92 GLN HE21 H 7.542 0.02 1 921 92 92 GLN HE22 H 6.830 0.02 1 922 92 92 GLN CA C 57.419 0.40 1 923 92 92 GLN CB C 30.507 0.40 1 924 92 92 GLN CG C 34.383 0.40 1 925 92 92 GLN CD C 21.343 0.40 1 926 92 92 GLN N N 127.663 0.40 1 927 92 92 GLN NE2 N 113.025 0.40 1 stop_ save_