data_17466 ####################### # 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 17466 _BMRB_flat_file_name bmr17466.str _Entry_type original _Submission_date 2011-02-11 _Accession_date 2011-02-11 _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 2012-03-09 update BMRB 'update entry citation' 2011-12-12 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_author_seq_code _Residue_label 1 244 GLY 2 245 PRO 3 246 LEU 4 247 GLY 5 248 SER 6 249 GLU 7 250 ASP 8 251 ASP 9 252 PRO 10 253 ILE 11 254 PRO 12 255 ASP 13 256 GLU 14 257 LEU 15 258 LEU 16 259 CYS 17 260 LEU 18 261 ILE 19 262 CYS 20 263 LYS 21 264 ASP 22 265 ILE 23 266 MET 24 267 THR 25 268 ASP 26 269 ALA 27 270 VAL 28 271 VAL 29 272 ILE 30 273 PRO 31 274 CYS 32 275 CYS 33 276 GLY 34 277 ASN 35 278 SER 36 279 TYR 37 280 CYS 38 281 ASP 39 282 GLU 40 283 CYS 41 284 ILE 42 285 ARG 43 286 THR 44 287 ALA 45 288 LEU 46 289 LEU 47 290 GLU 48 291 SER 49 292 ASP 50 293 GLU 51 294 HIS 52 295 THR 53 296 CYS 54 297 PRO 55 298 THR 56 299 CYS 57 300 HIS 58 301 GLN 59 302 ASN 60 303 ASP 61 304 VAL 62 305 SER 63 306 PRO 64 307 ASP 65 308 ALA 66 309 LEU 67 310 ILE 68 311 ALA 69 312 ASN 70 313 LYS 71 314 PHE 72 315 LEU 73 316 ARG 74 317 GLN 75 318 ALA 76 319 VAL 77 320 ASN 78 321 ASN 79 322 PHE 80 323 LYS 81 324 ASN 82 325 GLU 83 326 THR 84 327 GLY 85 328 TYR 86 329 THR 87 330 LYS 88 331 ARG 89 332 LEU 90 333 ARG 91 334 LYS 92 335 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 17772 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 Feb 11 16:22:58 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 . 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 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version any loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version any loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_UnityInova-600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC-NOESY _Sample_label $sample_1 save_ save_13C-HSQC-NOESY_(aromatic)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-HSQC-NOESY (aromatic)' _Sample_label $sample_1 save_ save_13C-HSQC-NOESY(aliphatic)_3 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC-NOESY(aliphatic) _Sample_label $sample_1 save_ save_1H-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-NOESY _Sample_label $sample_1 save_ save_13C-HSQC-_NOESY_(AROMATIC)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-HSQC- NOESY (AROMATIC)' _Sample_label $sample_1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 $entry_citation $entry_citation HDO H 1 proton ppm 4.812 internal indirect . . . 1 $entry_citation $entry_citation 'Liquid NH3' N 15 protons ppm 0.000 external indirect . . . 0.101329118 $entry_citation $entry_citation 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/2y8x/ebi/rring-new_1.bmrb.csh' loop_ _Experiment_label 15N-HSQC-NOESY '13C-HSQC-NOESY (aromatic)' 13C-HSQC-NOESY(aliphatic) 1H-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 1 244 1 GLY CA C 43.479 0.40 1 2 244 1 GLY HA2 H 4.003 0.02 1 3 244 1 GLY HA3 H 4.003 0.02 1 4 245 2 PRO CD C 49.729 0.40 1 5 245 2 PRO CA C 63.242 0.40 1 6 245 2 PRO HA H 4.496 0.02 1 7 245 2 PRO CB C 32.438 0.40 1 8 245 2 PRO HB2 H 1.977 0.02 1 9 245 2 PRO HB3 H 2.336 0.02 1 10 245 2 PRO CG C 27.139 0.40 1 11 245 2 PRO HG2 H 1.998 0.02 1 12 245 2 PRO HG3 H 2.031 0.02 1 13 245 2 PRO HD2 H 3.589 0.02 1 14 245 2 PRO HD3 H 3.609 0.02 1 15 246 3 LEU N N 122.886 0.40 1 16 246 3 LEU H H 8.649 0.02 1 17 246 3 LEU CA C 55.619 0.40 1 18 246 3 LEU HA H 4.397 0.02 1 19 246 3 LEU CB C 42.164 0.40 1 20 246 3 LEU HB2 H 1.644 0.02 1 21 246 3 LEU HB3 H 1.667 0.02 1 22 246 3 LEU CG C 27.525 0.40 1 23 246 3 LEU HG H 1.826 0.02 1 24 246 3 LEU CD1 C 24.995 0.40 1 25 246 3 LEU HD1 H 0.945 0.02 1 26 246 3 LEU CD2 C 23.697 0.40 1 27 246 3 LEU HD2 H 0.910 0.02 1 28 247 4 GLY N N 111.356 0.40 1 29 247 4 GLY H H 8.587 0.02 1 30 247 4 GLY CA C 45.373 0.40 1 31 247 4 GLY HA2 H 3.976 0.02 1 32 247 4 GLY HA3 H 4.119 0.02 1 33 248 5 SER N N 116.544 0.40 1 34 248 5 SER H H 8.178 0.02 1 35 248 5 SER CA C 58.321 0.40 1 36 248 5 SER HA H 4.522 0.02 1 37 248 5 SER CB C 64.288 0.40 1 38 248 5 SER HB2 H 3.870 0.02 1 39 248 5 SER HB3 H 3.961 0.02 1 40 249 6 GLU N N 122.843 0.40 1 41 249 6 GLU H H 8.730 0.02 1 42 249 6 GLU CA C 57.264 0.40 1 43 249 6 GLU HA H 4.278 0.02 1 44 249 6 GLU CB C 29.932 0.40 1 45 249 6 GLU HB2 H 1.959 0.02 1 46 249 6 GLU HB3 H 2.098 0.02 1 47 249 6 GLU CG C 36.268 0.40 1 48 249 6 GLU HG2 H 2.298 0.02 1 49 249 6 GLU HG3 H 2.298 0.02 1 50 250 7 ASP N N 120.371 0.40 1 51 250 7 ASP H H 8.195 0.02 1 52 250 7 ASP CA C 54.359 0.40 1 53 250 7 ASP HA H 4.636 0.02 1 54 250 7 ASP CB C 41.459 0.40 1 55 250 7 ASP HB2 H 2.555 0.02 1 56 250 7 ASP HB3 H 2.731 0.02 1 57 251 8 ASP N N 122.308 0.40 1 58 251 8 ASP H H 8.138 0.02 1 59 251 8 ASP CA C 52.820 0.40 1 60 251 8 ASP HA H 4.892 0.02 1 61 251 8 ASP CB C 40.742 0.40 1 62 251 8 ASP HB2 H 2.540 0.02 1 63 251 8 ASP HB3 H 2.732 0.02 1 64 252 9 PRO CD C 50.529 0.40 1 65 252 9 PRO CA C 62.877 0.40 1 66 252 9 PRO HA H 4.464 0.02 1 67 252 9 PRO CB C 32.158 0.40 1 68 252 9 PRO HB2 H 1.854 0.02 1 69 252 9 PRO HB3 H 2.243 0.02 1 70 252 9 PRO CG C 27.283 0.40 1 71 252 9 PRO HG2 H 2.018 0.02 1 72 252 9 PRO HG3 H 2.017 0.02 1 73 252 9 PRO HD2 H 3.715 0.02 1 74 252 9 PRO HD3 H 3.776 0.02 1 75 253 10 ILE N N 123.735 0.40 1 76 253 10 ILE H H 8.194 0.02 1 77 253 10 ILE CA C 58.687 0.40 1 78 253 10 ILE HA H 4.027 0.02 1 79 253 10 ILE CB C 39.350 0.40 1 80 253 10 ILE HB H 1.549 0.02 1 81 253 10 ILE CG2 C 16.957 0.40 1 82 253 10 ILE HG2 H 0.509 0.02 1 83 253 10 ILE CG1 C 27.756 0.40 1 84 253 10 ILE HG12 H 0.944 0.02 1 85 253 10 ILE HG13 H 1.489 0.02 1 86 253 10 ILE CD1 C 13.161 0.40 1 87 253 10 ILE HD1 H 0.690 0.02 1 88 254 11 PRO CD C 51.404 0.40 1 89 254 11 PRO CA C 63.397 0.40 1 90 254 11 PRO HA H 4.198 0.02 1 91 254 11 PRO CB C 32.479 0.40 1 92 254 11 PRO HB2 H 1.562 0.02 1 93 254 11 PRO HB3 H 2.311 0.02 1 94 254 11 PRO CG C 27.479 0.40 1 95 254 11 PRO HG2 H 1.732 0.02 1 96 254 11 PRO HG3 H 1.864 0.02 1 97 254 11 PRO HD2 H 2.683 0.02 1 98 254 11 PRO HD3 H 3.722 0.02 1 99 255 12 ASP N N 123.732 0.40 1 100 255 12 ASP H H 8.254 0.02 1 101 255 12 ASP CA C 57.715 0.40 1 102 255 12 ASP HA H 4.069 0.02 1 103 255 12 ASP CB C 41.397 0.40 1 104 255 12 ASP HB2 H 2.523 0.02 1 105 255 12 ASP HB3 H 2.523 0.02 1 106 256 13 GLU N N 117.472 0.40 1 107 256 13 GLU H H 9.685 0.02 1 108 256 13 GLU CA C 57.204 0.40 1 109 256 13 GLU HA H 4.024 0.02 1 110 256 13 GLU CB C 28.801 0.40 1 111 256 13 GLU HB2 H 2.336 0.02 1 112 256 13 GLU HB3 H 2.411 0.02 1 113 256 13 GLU CG C 35.823 0.40 1 114 256 13 GLU HG2 H 2.121 0.02 1 115 256 13 GLU HG3 H 2.280 0.02 1 116 257 14 LEU N N 114.466 0.40 1 117 257 14 LEU H H 7.434 0.02 1 118 257 14 LEU CA C 53.789 0.40 1 119 257 14 LEU HA H 4.210 0.02 1 120 257 14 LEU CB C 41.172 0.40 1 121 257 14 LEU HB2 H 1.274 0.02 1 122 257 14 LEU HB3 H 1.457 0.02 1 123 257 14 LEU CG C 27.260 0.40 1 124 257 14 LEU HG H 1.293 0.02 1 125 257 14 LEU CD1 C 21.801 0.40 1 126 257 14 LEU HD1 H 0.529 0.02 1 127 257 14 LEU CD2 C 25.913 0.40 1 128 257 14 LEU HD2 H 0.358 0.02 1 129 258 15 LEU N N 119.188 0.40 1 130 258 15 LEU H H 7.182 0.02 1 131 258 15 LEU CA C 53.713 0.40 1 132 258 15 LEU HA H 4.237 0.02 1 133 258 15 LEU CB C 43.602 0.40 1 134 258 15 LEU HB2 H 0.985 0.02 1 135 258 15 LEU HB3 H 1.678 0.02 1 136 258 15 LEU CG C 25.719 0.40 1 137 258 15 LEU HG H 1.446 0.02 1 138 258 15 LEU CD1 C 25.536 0.40 1 139 258 15 LEU HD1 H 0.726 0.02 1 140 258 15 LEU CD2 C 23.462 0.40 1 141 258 15 LEU HD2 H 0.518 0.02 1 142 259 16 CYS N N 128.041 0.40 1 143 259 16 CYS H H 8.922 0.02 1 144 259 16 CYS CA C 59.815 0.40 1 145 259 16 CYS HA H 4.261 0.02 1 146 259 16 CYS CB C 34.011 0.40 1 147 259 16 CYS HB2 H 3.213 0.02 1 148 259 16 CYS HB3 H 3.732 0.02 1 149 260 17 LEU N N 128.965 0.40 1 150 260 17 LEU H H 7.782 0.02 1 151 260 17 LEU CA C 57.488 0.40 1 152 260 17 LEU HA H 4.155 0.02 1 153 260 17 LEU CB C 43.161 0.40 1 154 260 17 LEU HB2 H 1.722 0.02 1 155 260 17 LEU HB3 H 1.840 0.02 1 156 260 17 LEU CG C 27.398 0.40 1 157 260 17 LEU HG H 1.932 0.02 1 158 260 17 LEU CD1 C 25.335 0.40 1 159 260 17 LEU HD1 H 0.919 0.02 1 160 260 17 LEU CD2 C 23.126 0.40 1 161 260 17 LEU HD2 H 0.925 0.02 1 162 261 18 ILE N N 121.644 0.40 1 163 261 18 ILE H H 9.382 0.02 1 164 261 18 ILE CA C 64.532 0.40 1 165 261 18 ILE HA H 4.110 0.02 1 166 261 18 ILE CB C 39.516 0.40 1 167 261 18 ILE HB H 1.886 0.02 1 168 261 18 ILE CG2 C 16.553 0.40 1 169 261 18 ILE HG2 H 0.969 0.02 1 170 261 18 ILE CG1 C 28.242 0.40 1 171 261 18 ILE HG12 H 1.040 0.02 1 172 261 18 ILE HG13 H 1.714 0.02 1 173 261 18 ILE CD1 C 14.344 0.40 1 174 261 18 ILE HD1 H 0.486 0.02 1 175 262 19 CYS N N 119.844 0.40 1 176 262 19 CYS H H 8.529 0.02 1 177 262 19 CYS CA C 59.794 0.40 1 178 262 19 CYS HA H 4.731 0.02 1 179 262 19 CYS CB C 31.616 0.40 1 180 262 19 CYS HB2 H 3.211 0.02 1 181 262 19 CYS HB3 H 3.211 0.02 1 182 263 20 LYS N N 117.424 0.40 1 183 263 20 LYS H H 7.896 0.02 1 184 263 20 LYS CA C 57.191 0.40 1 185 263 20 LYS HA H 4.014 0.02 1 186 263 20 LYS CB C 28.759 0.40 1 187 263 20 LYS HB2 H 2.005 0.02 1 188 263 20 LYS HB3 H 2.139 0.02 1 189 263 20 LYS CG C 24.909 0.40 1 190 263 20 LYS HG2 H 1.271 0.02 1 191 263 20 LYS HG3 H 1.356 0.02 1 192 263 20 LYS CD C 28.683 0.40 1 193 263 20 LYS HD2 H 1.596 0.02 1 194 263 20 LYS HD3 H 1.663 0.02 1 195 263 20 LYS CE C 42.562 0.40 1 196 263 20 LYS HE2 H 2.993 0.02 1 197 263 20 LYS HE3 H 2.989 0.02 1 198 264 21 ASP N N 122.035 0.40 1 199 264 21 ASP H H 8.286 0.02 1 200 264 21 ASP CA C 51.048 0.40 1 201 264 21 ASP HA H 4.985 0.02 1 202 264 21 ASP CB C 44.411 0.40 1 203 264 21 ASP HB2 H 2.569 0.02 1 204 264 21 ASP HB3 H 2.949 0.02 1 205 265 22 ILE N N 122.320 0.40 1 206 265 22 ILE H H 9.304 0.02 1 207 265 22 ILE CA C 61.591 0.40 1 208 265 22 ILE HA H 4.105 0.02 1 209 265 22 ILE CB C 38.709 0.40 1 210 265 22 ILE HB H 1.549 0.02 1 211 265 22 ILE CG2 C 17.056 0.40 1 212 265 22 ILE HG2 H 0.915 0.02 1 213 265 22 ILE CG1 C 29.496 0.40 1 214 265 22 ILE HG12 H 1.200 0.02 1 215 265 22 ILE HG13 H 1.545 0.02 1 216 265 22 ILE CD1 C 15.378 0.40 1 217 265 22 ILE HD1 H 0.819 0.02 1 218 266 23 MET N N 124.632 0.40 1 219 266 23 MET H H 7.821 0.02 1 220 266 23 MET CA C 57.627 0.40 1 221 266 23 MET HA H 5.041 0.02 1 222 266 23 MET CB C 35.740 0.40 1 223 266 23 MET HB2 H 1.348 0.02 1 224 266 23 MET HB3 H 1.813 0.02 1 225 266 23 MET CG C 33.564 0.40 1 226 266 23 MET HG2 H 2.420 0.02 1 227 266 23 MET HG3 H 2.633 0.02 1 228 266 23 MET CE C 19.210 0.40 1 229 266 23 MET HE H 1.653 0.02 1 230 267 24 THR N N 125.509 0.40 1 231 267 24 THR H H 9.011 0.02 1 232 267 24 THR CA C 61.951 0.40 1 233 267 24 THR HA H 4.521 0.02 1 234 267 24 THR CB C 69.549 0.40 1 235 267 24 THR HB H 4.170 0.02 1 236 267 24 THR CG2 C 21.608 0.40 1 237 267 24 THR HG2 H 1.249 0.02 1 238 268 25 ASP N N 130.395 0.40 1 239 268 25 ASP H H 9.068 0.02 1 240 268 25 ASP CA C 55.282 0.40 1 241 268 25 ASP HA H 4.100 0.02 1 242 268 25 ASP CB C 39.266 0.40 1 243 268 25 ASP HB2 H 2.729 0.02 1 244 268 25 ASP HB3 H 2.840 0.02 1 245 269 26 ALA N N 120.827 0.40 1 246 269 26 ALA H H 8.308 0.02 1 247 269 26 ALA CA C 53.554 0.40 1 248 269 26 ALA HA H 4.476 0.02 1 249 269 26 ALA CB C 21.597 0.40 1 250 269 26 ALA HB H 1.297 0.02 1 251 270 27 VAL N N 119.480 0.40 1 252 270 27 VAL H H 9.399 0.02 1 253 270 27 VAL CA C 58.936 0.40 1 254 270 27 VAL HA H 5.186 0.02 1 255 270 27 VAL CB C 35.982 0.40 1 256 270 27 VAL HB H 1.972 0.02 1 257 270 27 VAL CG1 C 21.329 0.40 1 258 270 27 VAL HG1 H 1.022 0.02 1 259 270 27 VAL CG2 C 20.731 0.40 1 260 270 27 VAL HG2 H 0.986 0.02 1 261 271 28 VAL N N 119.654 0.40 1 262 271 28 VAL H H 9.447 0.02 1 263 271 28 VAL CA C 59.234 0.40 1 264 271 28 VAL HA H 5.087 0.02 1 265 271 28 VAL CB C 35.280 0.40 1 266 271 28 VAL HB H 1.823 0.02 1 267 271 28 VAL CG1 C 22.308 0.40 1 268 271 28 VAL HG1 H 0.884 0.02 1 269 271 28 VAL CG2 C 21.063 0.40 1 270 271 28 VAL HG2 H 0.873 0.02 1 271 272 29 ILE N N 129.312 0.40 1 272 272 29 ILE H H 8.615 0.02 1 273 272 29 ILE CA C 57.028 0.40 1 274 272 29 ILE HA H 5.108 0.02 1 275 272 29 ILE CB C 44.341 0.40 1 276 272 29 ILE HB H 1.686 0.02 1 277 272 29 ILE CG2 C 19.510 0.40 1 278 272 29 ILE HG2 H 1.732 0.02 1 279 272 29 ILE CG1 C 30.597 0.40 1 280 272 29 ILE HG12 H 1.519 0.02 1 281 272 29 ILE HG13 H 2.422 0.02 1 282 272 29 ILE CD1 C 15.042 0.40 1 283 272 29 ILE HD1 H 1.142 0.02 1 284 273 30 PRO CD C 51.333 0.40 1 285 273 30 PRO CA C 64.947 0.40 1 286 273 30 PRO HA H 4.392 0.02 1 287 273 30 PRO CB C 32.349 0.40 1 288 273 30 PRO HB2 H 2.090 0.02 1 289 273 30 PRO HB3 H 2.260 0.02 1 290 273 30 PRO CG C 27.821 0.40 1 291 273 30 PRO HG2 H 2.077 0.02 1 292 273 30 PRO HG3 H 2.045 0.02 1 293 273 30 PRO HD2 H 3.710 0.02 1 294 273 30 PRO HD3 H 3.790 0.02 1 295 274 31 CYS N N 123.111 0.40 1 296 274 31 CYS H H 8.488 0.02 1 297 274 31 CYS CA C 56.806 0.40 1 298 274 31 CYS HA H 4.255 0.02 1 299 274 31 CYS CB C 29.134 0.40 1 300 274 31 CYS HB2 H 2.717 0.02 1 301 274 31 CYS HB3 H 2.834 0.02 1 302 275 32 CYS N N 116.576 0.40 1 303 275 32 CYS H H 8.308 0.02 1 304 275 32 CYS CA C 57.115 0.40 1 305 275 32 CYS HA H 4.979 0.02 1 306 275 32 CYS CB C 32.084 0.40 1 307 275 32 CYS HB2 H 2.756 0.02 1 308 275 32 CYS HB3 H 3.012 0.02 1 309 276 33 GLY N N 112.249 0.40 1 310 276 33 GLY H H 8.098 0.02 1 311 276 33 GLY CA C 47.202 0.40 1 312 276 33 GLY HA2 H 3.899 0.02 1 313 276 33 GLY HA3 H 4.343 0.02 1 314 277 34 ASN N N 119.926 0.40 1 315 277 34 ASN H H 7.337 0.02 1 316 277 34 ASN CA C 55.047 0.40 1 317 277 34 ASN HA H 4.654 0.02 1 318 277 34 ASN CB C 40.946 0.40 1 319 277 34 ASN HB2 H 2.245 0.02 1 320 277 34 ASN HB3 H 3.026 0.02 1 321 277 34 ASN ND2 N 121.806 0.40 1 322 277 34 ASN HD21 H 8.930 0.02 1 323 277 34 ASN HD22 H 7.501 0.02 1 324 278 35 SER N N 122.355 0.40 1 325 278 35 SER H H 8.081 0.02 1 326 278 35 SER CA C 57.910 0.40 1 327 278 35 SER HA H 6.080 0.02 1 328 278 35 SER CB C 67.097 0.40 1 329 278 35 SER HB2 H 2.975 0.02 1 330 278 35 SER HB3 H 3.407 0.02 1 331 279 36 TYR N N 116.266 0.40 1 332 279 36 TYR H H 8.382 0.02 1 333 279 36 TYR CA C 55.337 0.40 1 334 279 36 TYR HA H 5.041 0.02 1 335 279 36 TYR CB C 44.956 0.40 1 336 279 36 TYR HB2 H 2.274 0.02 1 337 279 36 TYR HB3 H 3.353 0.02 1 338 279 36 TYR CD1 C 133.384 0.40 3 339 279 36 TYR HD1 H 6.845 0.02 3 340 279 36 TYR CE1 C 117.376 0.40 3 341 279 36 TYR HE1 H 6.484 0.02 3 342 279 36 TYR HE2 H 6.484 0.02 3 343 279 36 TYR HD2 H 6.845 0.02 3 344 279 36 TYR HH H 5.979 0.02 1 345 280 37 CYS N N 122.941 0.40 1 346 280 37 CYS H H 8.834 0.02 1 347 280 37 CYS CA C 60.971 0.40 1 348 280 37 CYS HA H 4.257 0.02 1 349 280 37 CYS CB C 31.861 0.40 1 350 280 37 CYS HB2 H 3.359 0.02 1 351 280 37 CYS HB3 H 3.633 0.02 1 352 281 38 ASP N N 123.874 0.40 1 353 281 38 ASP H H 7.220 0.02 1 354 281 38 ASP CA C 59.062 0.40 1 355 281 38 ASP HA H 4.255 0.02 1 356 281 38 ASP CB C 42.404 0.40 1 357 281 38 ASP HB2 H 2.707 0.02 1 358 281 38 ASP HB3 H 3.342 0.02 1 359 282 39 GLU N N 114.086 0.40 1 360 282 39 GLU H H 8.933 0.02 1 361 282 39 GLU CA C 59.695 0.40 1 362 282 39 GLU HA H 3.950 0.02 1 363 282 39 GLU CB C 30.037 0.40 1 364 282 39 GLU HB2 H 2.046 0.02 1 365 282 39 GLU HB3 H 2.088 0.02 1 366 282 39 GLU CG C 36.196 0.40 1 367 282 39 GLU HG2 H 2.296 0.02 1 368 282 39 GLU HG3 H 2.328 0.02 1 369 283 40 CYS N N 117.477 0.40 1 370 283 40 CYS H H 6.892 0.02 1 371 283 40 CYS CA C 63.993 0.40 1 372 283 40 CYS HA H 3.971 0.02 1 373 283 40 CYS CB C 30.120 0.40 1 374 283 40 CYS HB2 H 2.931 0.02 1 375 283 40 CYS HB3 H 2.924 0.02 1 376 284 41 ILE N N 117.952 0.40 1 377 284 41 ILE H H 7.710 0.02 1 378 284 41 ILE CA C 58.757 0.40 1 379 284 41 ILE HA H 4.059 0.02 1 380 284 41 ILE CB C 37.589 0.40 1 381 284 41 ILE HB H 1.051 0.02 1 382 284 41 ILE CG2 C 21.371 0.40 1 383 284 41 ILE HG2 H 1.048 0.02 1 384 284 41 ILE CG1 C 30.676 0.40 1 385 284 41 ILE HG12 H 0.865 0.02 1 386 284 41 ILE HG13 H 0.957 0.02 1 387 284 41 ILE CD1 C 13.843 0.40 1 388 284 41 ILE HD1 H 0.188 0.02 1 389 285 42 ARG N N 126.302 0.40 1 390 285 42 ARG H H 8.384 0.02 1 391 285 42 ARG CA C 61.724 0.40 1 392 285 42 ARG HA H 3.649 0.02 1 393 285 42 ARG CB C 30.523 0.40 1 394 285 42 ARG HB2 H 1.719 0.02 1 395 285 42 ARG HB3 H 1.831 0.02 1 396 285 42 ARG CG C 29.102 0.40 1 397 285 42 ARG HG2 H 1.419 0.02 1 398 285 42 ARG HG3 H 1.621 0.02 1 399 285 42 ARG CD C 42.785 0.40 1 400 285 42 ARG HD2 H 2.942 0.02 1 401 285 42 ARG HD3 H 3.259 0.02 1 402 285 42 ARG NE N 85.429 0.40 1 403 285 42 ARG HE H 8.467 0.02 1 404 285 42 ARG HH11 H 7.006 0.02 1 405 285 42 ARG HH21 H 6.665 0.02 1 406 286 43 THR N N 112.719 0.40 1 407 286 43 THR H H 7.681 0.02 1 408 286 43 THR CA C 66.818 0.40 1 409 286 43 THR HA H 3.819 0.02 1 410 286 43 THR CB C 68.809 0.40 1 411 286 43 THR HB H 4.237 0.02 1 412 286 43 THR CG2 C 21.561 0.40 1 413 286 43 THR HG2 H 1.206 0.02 1 414 287 44 ALA N N 123.181 0.40 1 415 287 44 ALA H H 7.474 0.02 1 416 287 44 ALA CA C 55.297 0.40 1 417 287 44 ALA HA H 4.117 0.02 1 418 287 44 ALA CB C 18.157 0.40 1 419 287 44 ALA HB H 1.421 0.02 1 420 288 45 LEU N N 117.577 0.40 1 421 288 45 LEU H H 8.397 0.02 1 422 288 45 LEU CA C 57.922 0.40 1 423 288 45 LEU HA H 3.999 0.02 1 424 288 45 LEU CB C 42.759 0.40 1 425 288 45 LEU HB2 H 1.077 0.02 1 426 288 45 LEU HB3 H 1.858 0.02 1 427 288 45 LEU CG C 26.367 0.40 1 428 288 45 LEU HG H 1.756 0.02 1 429 288 45 LEU CD1 C 25.392 0.40 1 430 288 45 LEU HD1 H 0.613 0.02 1 431 288 45 LEU CD2 C 20.757 0.40 1 432 288 45 LEU HD2 H 0.645 0.02 1 433 289 46 LEU N N 118.062 0.40 1 434 289 46 LEU H H 7.932 0.02 1 435 289 46 LEU CA C 57.186 0.40 1 436 289 46 LEU HA H 4.189 0.02 1 437 289 46 LEU CB C 42.139 0.40 1 438 289 46 LEU HB2 H 1.613 0.02 1 439 289 46 LEU HB3 H 1.918 0.02 1 440 289 46 LEU CG C 27.053 0.40 1 441 289 46 LEU HG H 1.767 0.02 1 442 289 46 LEU CD1 C 25.277 0.40 1 443 289 46 LEU HD1 H 0.859 0.02 1 444 289 46 LEU CD2 C 23.134 0.40 1 445 289 46 LEU HD2 H 0.861 0.02 1 446 290 47 GLU N N 118.444 0.40 1 447 290 47 GLU H H 7.912 0.02 1 448 290 47 GLU CA C 57.628 0.40 1 449 290 47 GLU HA H 4.175 0.02 1 450 290 47 GLU CB C 29.770 0.40 1 451 290 47 GLU HB2 H 2.080 0.02 1 452 290 47 GLU HB3 H 2.134 0.02 1 453 290 47 GLU CG C 36.587 0.40 1 454 290 47 GLU HG2 H 2.346 0.02 1 455 290 47 GLU HG3 H 2.558 0.02 1 456 291 48 SER N N 113.592 0.40 1 457 291 48 SER H H 7.413 0.02 1 458 291 48 SER CA C 56.588 0.40 1 459 291 48 SER HA H 4.723 0.02 1 460 291 48 SER CB C 64.915 0.40 1 461 291 48 SER HB2 H 4.049 0.02 1 462 291 48 SER HB3 H 4.185 0.02 1 463 292 49 ASP N N 126.634 0.40 1 464 292 49 ASP H H 8.903 0.02 1 465 292 49 ASP CA C 56.881 0.40 1 466 292 49 ASP HA H 4.265 0.02 1 467 292 49 ASP CB C 40.507 0.40 1 468 292 49 ASP HB2 H 2.631 0.02 1 469 292 49 ASP HB3 H 2.631 0.02 1 470 293 50 GLU N N 116.471 0.40 1 471 293 50 GLU H H 7.903 0.02 1 472 293 50 GLU CA C 56.214 0.40 1 473 293 50 GLU HA H 4.220 0.02 1 474 293 50 GLU CB C 29.581 0.40 1 475 293 50 GLU HB2 H 1.716 0.02 1 476 293 50 GLU HB3 H 2.138 0.02 1 477 293 50 GLU CG C 36.761 0.40 1 478 293 50 GLU HG2 H 2.145 0.02 1 479 293 50 GLU HG3 H 2.145 0.02 1 480 294 51 HIS N N 116.375 0.40 1 481 294 51 HIS H H 7.830 0.02 1 482 294 51 HIS CA C 55.119 0.40 1 483 294 51 HIS HA H 4.695 0.02 1 484 294 51 HIS CB C 26.492 0.40 1 485 294 51 HIS HB2 H 3.226 0.02 1 486 294 51 HIS HB3 H 3.756 0.02 1 487 294 51 HIS CD2 C 119.264 0.40 1 488 294 51 HIS CE1 C 136.153 0.40 1 489 294 51 HIS HD2 H 7.700 0.02 1 490 294 51 HIS HE1 H 8.652 0.02 1 491 295 52 THR N N 115.934 0.40 1 492 295 52 THR H H 7.961 0.02 1 493 295 52 THR CA C 61.898 0.40 1 494 295 52 THR HA H 4.805 0.02 1 495 295 52 THR CB C 70.587 0.40 1 496 295 52 THR HB H 3.620 0.02 1 497 295 52 THR CG2 C 21.456 0.40 1 498 295 52 THR HG2 H 1.038 0.02 1 499 296 53 CYS N N 131.616 0.40 1 500 296 53 CYS H H 8.827 0.02 1 501 296 53 CYS CA C 57.130 0.40 1 502 296 53 CYS HA H 4.228 0.02 1 503 296 53 CYS CB C 32.686 0.40 1 504 296 53 CYS HB2 H 3.018 0.02 1 505 296 53 CYS HB3 H 3.413 0.02 1 506 297 54 PRO CD C 50.724 0.40 1 507 297 54 PRO CA C 63.867 0.40 1 508 297 54 PRO HA H 4.398 0.02 1 509 297 54 PRO CB C 32.002 0.40 1 510 297 54 PRO HB2 H 1.932 0.02 1 511 297 54 PRO HB3 H 2.239 0.02 1 512 297 54 PRO CG C 26.550 0.40 1 513 297 54 PRO HG2 H 1.590 0.02 1 514 297 54 PRO HG3 H 1.728 0.02 1 515 297 54 PRO HD2 H 3.464 0.02 1 516 297 54 PRO HD3 H 4.022 0.02 1 517 298 55 THR N N 121.430 0.40 1 518 298 55 THR H H 9.338 0.02 1 519 298 55 THR CA C 65.207 0.40 1 520 298 55 THR HA H 4.264 0.02 1 521 298 55 THR CB C 68.864 0.40 1 522 298 55 THR HB H 4.008 0.02 1 523 298 55 THR CG2 C 22.775 0.40 1 524 298 55 THR HG2 H 1.183 0.02 1 525 299 56 CYS N N 124.692 0.40 1 526 299 56 CYS H H 9.362 0.02 1 527 299 56 CYS CA C 58.987 0.40 1 528 299 56 CYS HA H 4.754 0.02 1 529 299 56 CYS CB C 31.056 0.40 1 530 299 56 CYS HB2 H 2.379 0.02 1 531 299 56 CYS HB3 H 3.173 0.02 1 532 300 57 HIS N N 115.438 0.40 1 533 300 57 HIS H H 7.295 0.02 1 534 300 57 HIS CA C 56.676 0.40 1 535 300 57 HIS HA H 4.526 0.02 1 536 300 57 HIS CB C 25.911 0.40 1 537 300 57 HIS HB2 H 3.385 0.02 1 538 300 57 HIS HB3 H 3.526 0.02 1 539 300 57 HIS CD2 C 119.689 0.40 1 540 300 57 HIS CE1 C 136.139 0.40 1 541 300 57 HIS HD2 H 7.133 0.02 1 542 300 57 HIS HE1 H 8.465 0.02 1 543 301 58 GLN N N 124.369 0.40 1 544 301 58 GLN H H 8.590 0.02 1 545 301 58 GLN CA C 57.757 0.40 1 546 301 58 GLN HA H 4.163 0.02 1 547 301 58 GLN CB C 29.682 0.40 1 548 301 58 GLN HB2 H 1.848 0.02 1 549 301 58 GLN HB3 H 2.291 0.02 1 550 301 58 GLN CG C 34.233 0.40 1 551 301 58 GLN HG2 H 2.505 0.02 1 552 301 58 GLN HG3 H 2.447 0.02 1 553 301 58 GLN NE2 N 114.974 0.40 1 554 301 58 GLN HE21 H 7.865 0.02 1 555 301 58 GLN HE22 H 6.910 0.02 1 556 302 59 ASN N N 122.731 0.40 1 557 302 59 ASN H H 8.300 0.02 1 558 302 59 ASN CA C 52.586 0.40 1 559 302 59 ASN HA H 4.885 0.02 1 560 302 59 ASN CB C 40.503 0.40 1 561 302 59 ASN HB2 H 2.760 0.02 1 562 302 59 ASN HB3 H 2.866 0.02 1 563 302 59 ASN ND2 N 113.067 0.40 1 564 302 59 ASN HD21 H 7.548 0.02 1 565 302 59 ASN HD22 H 6.778 0.02 1 566 303 60 ASP N N 116.350 0.40 1 567 303 60 ASP H H 8.881 0.02 1 568 303 60 ASP CA C 55.434 0.40 1 569 303 60 ASP HA H 4.256 0.02 1 570 303 60 ASP CB C 39.391 0.40 1 571 303 60 ASP HB2 H 2.619 0.02 1 572 303 60 ASP HB3 H 3.051 0.02 1 573 304 61 VAL N N 123.835 0.40 1 574 304 61 VAL H H 9.029 0.02 1 575 304 61 VAL CA C 63.066 0.40 1 576 304 61 VAL HA H 3.859 0.02 1 577 304 61 VAL CB C 31.133 0.40 1 578 304 61 VAL HB H 2.098 0.02 1 579 304 61 VAL CG1 C 20.863 0.40 1 580 304 61 VAL HG1 H 0.837 0.02 1 581 304 61 VAL CG2 C 20.402 0.40 1 582 304 61 VAL HG2 H 0.965 0.02 1 583 305 62 SER N N 119.772 0.40 1 584 305 62 SER H H 8.124 0.02 1 585 305 62 SER CA C 55.243 0.40 1 586 305 62 SER HA H 4.495 0.02 1 587 305 62 SER CB C 64.357 0.40 1 588 305 62 SER HB2 H 3.770 0.02 1 589 305 62 SER HB3 H 4.018 0.02 1 590 306 63 PRO CD C 49.975 0.40 1 591 306 63 PRO CA C 64.264 0.40 1 592 306 63 PRO HA H 4.094 0.02 1 593 306 63 PRO CB C 31.928 0.40 1 594 306 63 PRO HB2 H 2.048 0.02 1 595 306 63 PRO HB3 H 2.122 0.02 1 596 306 63 PRO CG C 27.423 0.40 1 597 306 63 PRO HG2 H 1.721 0.02 1 598 306 63 PRO HG3 H 1.986 0.02 1 599 306 63 PRO HD2 H 3.500 0.02 1 600 306 63 PRO HD3 H 3.760 0.02 1 601 307 64 ASP N N 115.409 0.40 1 602 307 64 ASP H H 7.820 0.02 1 603 307 64 ASP CA C 55.518 0.40 1 604 307 64 ASP HA H 4.528 0.02 1 605 307 64 ASP CB C 40.373 0.40 1 606 307 64 ASP HB2 H 2.514 0.02 1 607 307 64 ASP HB3 H 2.762 0.02 1 608 308 65 ALA N N 122.285 0.40 1 609 308 65 ALA H H 8.050 0.02 1 610 308 65 ALA CA C 51.719 0.40 1 611 308 65 ALA HA H 4.410 0.02 1 612 308 65 ALA CB C 19.766 0.40 1 613 308 65 ALA HB H 1.558 0.02 1 614 309 66 LEU N N 117.570 0.40 1 615 309 66 LEU H H 6.877 0.02 1 616 309 66 LEU CA C 55.559 0.40 1 617 309 66 LEU HA H 4.379 0.02 1 618 309 66 LEU CB C 42.130 0.40 1 619 309 66 LEU HB2 H 1.042 0.02 1 620 309 66 LEU HB3 H 1.930 0.02 1 621 309 66 LEU CG C 27.111 0.40 1 622 309 66 LEU HG H 1.847 0.02 1 623 309 66 LEU CD1 C 26.554 0.40 1 624 309 66 LEU HD1 H 0.944 0.02 1 625 309 66 LEU CD2 C 22.870 0.40 1 626 309 66 LEU HD2 H 0.851 0.02 1 627 310 67 ILE N N 122.877 0.40 1 628 310 67 ILE H H 8.108 0.02 1 629 310 67 ILE CA C 59.129 0.40 1 630 310 67 ILE HA H 4.437 0.02 1 631 310 67 ILE CB C 41.587 0.40 1 632 310 67 ILE HB H 1.684 0.02 1 633 310 67 ILE CG2 C 17.795 0.40 1 634 310 67 ILE HG2 H 0.970 0.02 1 635 310 67 ILE CG1 C 27.117 0.40 1 636 310 67 ILE HG12 H 1.169 0.02 1 637 310 67 ILE HG13 H 1.669 0.02 1 638 310 67 ILE CD1 C 14.028 0.40 1 639 310 67 ILE HD1 H 0.856 0.02 1 640 311 68 ALA N N 129.158 0.40 1 641 311 68 ALA H H 8.870 0.02 1 642 311 68 ALA CA C 53.983 0.40 1 643 311 68 ALA HA H 4.130 0.02 1 644 311 68 ALA CB C 18.400 0.40 1 645 311 68 ALA HB H 1.239 0.02 1 646 312 69 ASN N N 120.109 0.40 1 647 312 69 ASN H H 8.044 0.02 1 648 312 69 ASN CA C 50.329 0.40 1 649 312 69 ASN HA H 4.818 0.02 1 650 312 69 ASN CB C 36.926 0.40 1 651 312 69 ASN HB2 H 2.279 0.02 1 652 312 69 ASN HB3 H 3.067 0.02 1 653 312 69 ASN ND2 N 115.009 0.40 1 654 312 69 ASN HD21 H 7.559 0.02 1 655 312 69 ASN HD22 H 7.039 0.02 1 656 313 70 LYS N N 123.726 0.40 1 657 313 70 LYS H H 8.200 0.02 1 658 313 70 LYS CA C 61.351 0.40 1 659 313 70 LYS HA H 3.774 0.02 1 660 313 70 LYS CB C 32.382 0.40 1 661 313 70 LYS HB2 H 1.858 0.02 1 662 313 70 LYS HB3 H 1.858 0.02 1 663 313 70 LYS CG C 25.687 0.40 1 664 313 70 LYS HG2 H 1.309 0.02 1 665 313 70 LYS HG3 H 1.540 0.02 1 666 313 70 LYS CD C 29.084 0.40 1 667 313 70 LYS HD2 H 1.708 0.02 1 668 313 70 LYS HD3 H 1.624 0.02 1 669 313 70 LYS CE C 42.070 0.40 1 670 313 70 LYS HE2 H 2.938 0.02 1 671 313 70 LYS HE3 H 2.998 0.02 1 672 314 71 PHE CA C 61.068 0.40 1 673 314 71 PHE HA H 4.327 0.02 1 674 314 71 PHE CB C 38.558 0.40 1 675 314 71 PHE HB2 H 3.092 0.02 1 676 314 71 PHE HB3 H 3.223 0.02 1 677 314 71 PHE CD1 C 131.573 0.40 3 678 314 71 PHE HD1 H 7.345 0.02 3 679 314 71 PHE CE1 C 131.529 0.40 3 680 314 71 PHE HE1 H 7.370 0.02 3 681 314 71 PHE CZ C 130.496 0.40 1 682 314 71 PHE HZ H 7.270 0.02 1 683 314 71 PHE HE2 H 7.370 0.02 3 684 314 71 PHE HD2 H 7.345 0.02 3 685 315 72 LEU CA C 56.658 0.40 1 686 315 72 LEU HA H 3.834 0.02 1 687 315 72 LEU CB C 42.615 0.40 1 688 315 72 LEU HB2 H 1.166 0.02 1 689 315 72 LEU HB3 H 1.311 0.02 1 690 315 72 LEU CG C 27.468 0.40 1 691 315 72 LEU HG H 1.308 0.02 1 692 315 72 LEU CD1 C 25.509 0.40 1 693 315 72 LEU HD1 H 0.745 0.02 1 694 315 72 LEU CD2 C 24.316 0.40 1 695 315 72 LEU HD2 H 0.621 0.02 1 696 316 73 ARG N N 118.510 0.40 1 697 316 73 ARG H H 8.358 0.02 1 698 316 73 ARG CA C 59.901 0.40 1 699 316 73 ARG HA H 4.094 0.02 1 700 316 73 ARG CB C 31.889 0.40 1 701 316 73 ARG HB2 H 2.088 0.02 1 702 316 73 ARG HB3 H 2.088 0.02 1 703 316 73 ARG CG C 29.776 0.40 1 704 316 73 ARG HG2 H 1.766 0.02 1 705 316 73 ARG HG3 H 1.889 0.02 1 706 316 73 ARG CD C 44.312 0.40 1 707 316 73 ARG HD2 H 2.769 0.02 1 708 316 73 ARG HD3 H 3.449 0.02 1 709 316 73 ARG NE N 85.703 0.40 1 710 316 73 ARG HE H 7.853 0.02 1 711 317 74 GLN N N 119.268 0.40 1 712 317 74 GLN H H 7.719 0.02 1 713 317 74 GLN CA C 58.721 0.40 1 714 317 74 GLN HA H 4.069 0.02 1 715 317 74 GLN CB C 28.312 0.40 1 716 317 74 GLN HB2 H 2.131 0.02 1 717 317 74 GLN HB3 H 2.131 0.02 1 718 317 74 GLN CG C 33.786 0.40 1 719 317 74 GLN HG2 H 2.350 0.02 1 720 317 74 GLN HG3 H 2.382 0.02 1 721 317 74 GLN NE2 N 112.993 0.40 1 722 317 74 GLN HE21 H 7.361 0.02 1 723 317 74 GLN HE22 H 6.873 0.02 1 724 318 75 ALA N N 124.102 0.40 1 725 318 75 ALA H H 7.849 0.02 1 726 318 75 ALA CA C 55.410 0.40 1 727 318 75 ALA HA H 4.134 0.02 1 728 318 75 ALA CB C 18.214 0.40 1 729 318 75 ALA HB H 1.404 0.02 1 730 319 76 VAL N N 121.320 0.40 1 731 319 76 VAL H H 8.762 0.02 1 732 319 76 VAL CA C 67.581 0.40 1 733 319 76 VAL HA H 3.592 0.02 1 734 319 76 VAL CB C 32.022 0.40 1 735 319 76 VAL HB H 2.281 0.02 1 736 319 76 VAL CG1 C 23.947 0.40 1 737 319 76 VAL HG1 H 1.140 0.02 1 738 319 76 VAL CG2 C 20.817 0.40 1 739 319 76 VAL HG2 H 1.140 0.02 1 740 320 77 ASN N N 119.887 0.40 1 741 320 77 ASN H H 8.127 0.02 1 742 320 77 ASN CA C 56.432 0.40 1 743 320 77 ASN HA H 4.411 0.02 1 744 320 77 ASN CB C 37.605 0.40 1 745 320 77 ASN HB2 H 2.891 0.02 1 746 320 77 ASN HB3 H 2.875 0.02 1 747 320 77 ASN ND2 N 112.379 0.40 1 748 320 77 ASN HD21 H 7.530 0.02 1 749 320 77 ASN HD22 H 6.915 0.02 1 750 321 78 ASN N N 119.864 0.40 1 751 321 78 ASN H H 8.730 0.02 1 752 321 78 ASN CA C 55.927 0.40 1 753 321 78 ASN HA H 4.496 0.02 1 754 321 78 ASN CB C 37.551 0.40 1 755 321 78 ASN HB2 H 2.950 0.02 1 756 321 78 ASN HB3 H 2.950 0.02 1 757 321 78 ASN ND2 N 112.667 0.40 1 758 321 78 ASN HD21 H 7.799 0.02 1 759 321 78 ASN HD22 H 7.025 0.02 1 760 322 79 PHE N N 122.588 0.40 1 761 322 79 PHE H H 8.294 0.02 1 762 322 79 PHE CA C 62.034 0.40 1 763 322 79 PHE HA H 4.267 0.02 1 764 322 79 PHE CB C 39.774 0.40 1 765 322 79 PHE HB2 H 3.189 0.02 1 766 322 79 PHE HB3 H 3.189 0.02 1 767 322 79 PHE CD1 C 131.700 0.40 3 768 322 79 PHE HD1 H 7.068 0.02 3 769 322 79 PHE CE1 C 131.693 0.40 3 770 322 79 PHE HE1 H 7.177 0.02 3 771 322 79 PHE CZ C 130.528 0.40 1 772 322 79 PHE HZ H 7.251 0.02 1 773 322 79 PHE HE2 H 7.177 0.02 3 774 322 79 PHE HD2 H 7.068 0.02 3 775 323 80 LYS N N 121.129 0.40 1 776 323 80 LYS H H 8.795 0.02 1 777 323 80 LYS CA C 60.496 0.40 1 778 323 80 LYS HA H 3.795 0.02 1 779 323 80 LYS CB C 32.357 0.40 1 780 323 80 LYS HB2 H 1.994 0.02 1 781 323 80 LYS CG C 26.281 0.40 1 782 323 80 LYS HG2 H 1.480 0.02 1 783 323 80 LYS HG3 H 1.993 0.02 1 784 323 80 LYS CD C 29.965 0.40 1 785 323 80 LYS HD2 H 1.749 0.02 1 786 323 80 LYS HD3 H 1.811 0.02 1 787 323 80 LYS CE C 41.961 0.40 1 788 323 80 LYS HE2 H 2.942 0.02 1 789 324 81 ASN N N 118.197 0.40 1 790 324 81 ASN H H 8.148 0.02 1 791 324 81 ASN CA C 55.186 0.40 1 792 324 81 ASN HA H 4.540 0.02 1 793 324 81 ASN CB C 38.717 0.40 1 794 324 81 ASN HB2 H 2.928 0.02 1 795 324 81 ASN HB3 H 2.928 0.02 1 796 324 81 ASN ND2 N 113.401 0.40 1 797 324 81 ASN HD21 H 7.710 0.02 1 798 324 81 ASN HD22 H 6.857 0.02 1 799 325 82 GLU N N 118.396 0.40 1 800 325 82 GLU H H 8.102 0.02 1 801 325 82 GLU CA C 58.268 0.40 1 802 325 82 GLU HA H 4.095 0.02 1 803 325 82 GLU CB C 29.715 0.40 1 804 325 82 GLU HB2 H 2.065 0.02 1 805 325 82 GLU HB3 H 2.065 0.02 1 806 325 82 GLU CG C 36.122 0.40 1 807 325 82 GLU HG2 H 2.298 0.02 1 808 325 82 GLU HG3 H 2.298 0.02 1 809 326 83 THR N N 108.310 0.40 1 810 326 83 THR H H 7.797 0.02 1 811 326 83 THR CA C 62.112 0.40 1 812 326 83 THR HA H 4.329 0.02 1 813 326 83 THR CB C 71.081 0.40 1 814 326 83 THR HB H 4.062 0.02 1 815 326 83 THR CG2 C 20.811 0.40 1 816 326 83 THR HG2 H 0.868 0.02 1 817 327 84 GLY N N 111.713 0.40 1 818 327 84 GLY H H 8.099 0.02 1 819 327 84 GLY CA C 45.893 0.40 1 820 327 84 GLY HA2 H 3.928 0.02 1 821 327 84 GLY HA3 H 4.106 0.02 1 822 328 85 TYR N N 121.269 0.40 1 823 328 85 TYR H H 7.883 0.02 1 824 328 85 TYR CA C 60.318 0.40 1 825 328 85 TYR HA H 4.173 0.02 1 826 328 85 TYR CB C 39.473 0.40 1 827 328 85 TYR HB2 H 2.649 0.02 1 828 328 85 TYR HB3 H 3.081 0.02 1 829 328 85 TYR CD1 C 132.880 0.40 3 830 328 85 TYR HD1 H 7.062 0.02 3 831 328 85 TYR CE1 C 118.463 0.40 3 832 328 85 TYR HE1 H 6.806 0.02 3 833 328 85 TYR HE2 H 6.806 0.02 3 834 328 85 TYR HD2 H 7.062 0.02 3 835 329 86 THR N N 117.874 0.40 1 836 329 86 THR H H 7.550 0.02 1 837 329 86 THR CA C 61.471 0.40 1 838 329 86 THR HA H 4.171 0.02 1 839 329 86 THR CB C 70.354 0.40 1 840 329 86 THR HB H 4.045 0.02 1 841 329 86 THR CG2 C 21.436 0.40 1 842 329 86 THR HG2 H 1.079 0.02 1 843 330 87 LYS N N 123.140 0.40 1 844 330 87 LYS H H 7.953 0.02 1 845 330 87 LYS CA C 56.560 0.40 1 846 330 87 LYS HA H 4.212 0.02 1 847 330 87 LYS CB C 33.129 0.40 1 848 330 87 LYS HB2 H 1.703 0.02 1 849 330 87 LYS HB3 H 1.804 0.02 1 850 330 87 LYS CG C 24.934 0.40 1 851 330 87 LYS HG2 H 1.411 0.02 1 852 330 87 LYS HG3 H 1.411 0.02 1 853 330 87 LYS CD C 29.227 0.40 1 854 330 87 LYS HD2 H 1.667 0.02 1 855 330 87 LYS HD3 H 1.679 0.02 1 856 330 87 LYS CE C 42.403 0.40 1 857 330 87 LYS HE2 H 2.968 0.02 1 858 331 88 ARG N N 123.860 0.40 1 859 331 88 ARG H H 8.575 0.02 1 860 331 88 ARG CA C 56.388 0.40 1 861 331 88 ARG HA H 4.272 0.02 1 862 331 88 ARG CB C 30.814 0.40 1 863 331 88 ARG HB2 H 1.748 0.02 1 864 331 88 ARG HB3 H 1.836 0.02 1 865 331 88 ARG CG C 27.210 0.40 1 866 331 88 ARG HG2 H 1.638 0.02 1 867 331 88 ARG HG3 H 1.638 0.02 1 868 331 88 ARG CD C 43.432 0.40 1 869 331 88 ARG HD2 H 3.222 0.02 1 870 331 88 ARG HD3 H 3.222 0.02 1 871 331 88 ARG NE N 85.381 0.40 1 872 331 88 ARG HE H 7.330 0.02 1 873 332 89 LEU N N 123.683 0.40 1 874 332 89 LEU H H 8.187 0.02 1 875 332 89 LEU CA C 55.232 0.40 1 876 332 89 LEU HA H 4.310 0.02 1 877 332 89 LEU CB C 42.257 0.40 1 878 332 89 LEU HB2 H 1.568 0.02 1 879 332 89 LEU HB3 H 1.657 0.02 1 880 332 89 LEU CG C 27.040 0.40 1 881 332 89 LEU HG H 1.656 0.02 1 882 332 89 LEU CD1 C 25.013 0.40 1 883 332 89 LEU HD1 H 0.938 0.02 1 884 332 89 LEU CD2 C 23.577 0.40 1 885 332 89 LEU HD2 H 0.871 0.02 1 886 333 90 ARG N N 122.842 0.40 1 887 333 90 ARG H H 8.276 0.02 1 888 333 90 ARG CA C 55.860 0.40 1 889 333 90 ARG HA H 4.344 0.02 1 890 333 90 ARG CB C 30.986 0.40 1 891 333 90 ARG HB2 H 1.774 0.02 1 892 333 90 ARG HB3 H 1.856 0.02 1 893 333 90 ARG CG C 27.210 0.40 1 894 333 90 ARG HG2 H 1.635 0.02 1 895 333 90 ARG HG3 H 1.635 0.02 1 896 333 90 ARG CD C 43.449 0.40 1 897 333 90 ARG HD2 H 3.210 0.02 1 898 333 90 ARG HD3 H 3.210 0.02 1 899 333 90 ARG NE N 85.613 0.40 1 900 333 90 ARG HE H 7.259 0.02 1 901 334 91 LYS N N 124.329 0.40 1 902 334 91 LYS H H 8.373 0.02 1 903 334 91 LYS CA C 56.486 0.40 1 904 334 91 LYS HA H 4.310 0.02 1 905 334 91 LYS CB C 33.063 0.40 1 906 334 91 LYS HB2 H 1.776 0.02 1 907 334 91 LYS HB3 H 1.860 0.02 1 908 334 91 LYS CG C 24.742 0.40 1 909 334 91 LYS HG2 H 1.449 0.02 1 910 334 91 LYS CD C 29.135 0.40 1 911 334 91 LYS HD2 H 1.689 0.02 1 912 334 91 LYS CE C 42.220 0.40 1 913 334 91 LYS HE2 H 3.006 0.02 1 914 335 92 GLN N N 127.663 0.40 1 915 335 92 GLN H H 8.044 0.02 1 916 335 92 GLN CA C 57.419 0.40 1 917 335 92 GLN HA H 4.164 0.02 1 918 335 92 GLN CB C 30.507 0.40 1 919 335 92 GLN HB2 H 1.911 0.02 1 920 335 92 GLN HB3 H 2.101 0.02 1 921 335 92 GLN CG C 34.383 0.40 1 922 335 92 GLN HG2 H 2.292 0.02 1 923 335 92 GLN HG3 H 2.292 0.02 1 924 335 92 GLN CD C 21.343 0.40 1 925 335 92 GLN NE2 N 113.025 0.40 1 926 335 92 GLN HE21 H 7.542 0.02 1 927 335 92 GLN HE22 H 6.830 0.02 1 stop_ save_