data_17858 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RNA-binding zinc finger protein ; _BMRB_accession_number 17858 _BMRB_flat_file_name bmr17858.str _Entry_type original _Submission_date 2011-08-12 _Accession_date 2011-08-12 _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 Brockmann Christoph . . 2 Neuhaus David . . 3 Stewart Murray . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 474 "13C chemical shifts" 268 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-29 update BMRB 'update entry citation' 2012-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for Polyadenosine-RNA Binding by Nab2 Zn Fingers and Its Function in mRNA Nuclear Export.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22560733 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brockmann Christoph . . 2 Soucek Sharon . . 3 Kuhlmann Sonja I. . 4 Mills-Lujan Katherine . . 5 Kelly Seth M. . 6 Yang Ji-Chun . . 7 Iglesias Nahid . . 8 Stutz Francoise . . 9 Corbett Anita H. . 10 Neuhaus David . . 11 Stewart Murray . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 20 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1007 _Page_last 1018 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NAB2_404-483 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NAB2_404-483 $NAB2_404-483 'Zinc ions 1' $ZN 'Zinc ions 2' $ZN 'Zinc ions 3' $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_NAB2_404-483 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NAB2_404-483 _Molecular_mass 9227.831 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GPLGSEKSLEQCKFGTHCTN KRCKYRHARSHIMCREGANC TRIDCLFGHPINEDCRFGVN CKNIYCLFRHPPGRVLPEKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 404 GLY 2 405 PRO 3 406 LEU 4 407 GLY 5 408 SER 6 409 GLU 7 410 LYS 8 411 SER 9 412 LEU 10 413 GLU 11 414 GLN 12 415 CYS 13 416 LYS 14 417 PHE 15 418 GLY 16 419 THR 17 420 HIS 18 421 CYS 19 422 THR 20 423 ASN 21 424 LYS 22 425 ARG 23 426 CYS 24 427 LYS 25 428 TYR 26 429 ARG 27 430 HIS 28 431 ALA 29 432 ARG 30 433 SER 31 434 HIS 32 435 ILE 33 436 MET 34 437 CYS 35 438 ARG 36 439 GLU 37 440 GLY 38 441 ALA 39 442 ASN 40 443 CYS 41 444 THR 42 445 ARG 43 446 ILE 44 447 ASP 45 448 CYS 46 449 LEU 47 450 PHE 48 451 GLY 49 452 HIS 50 453 PRO 51 454 ILE 52 455 ASN 53 456 GLU 54 457 ASP 55 458 CYS 56 459 ARG 57 460 PHE 58 461 GLY 59 462 VAL 60 463 ASN 61 464 CYS 62 465 LYS 63 466 ASN 64 467 ILE 65 468 TYR 66 469 CYS 67 470 LEU 68 471 PHE 69 472 ARG 70 473 HIS 71 474 PRO 72 475 PRO 73 476 GLY 74 477 ARG 75 478 VAL 76 479 LEU 77 480 PRO 78 481 GLU 79 482 LYS 80 483 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2LHN "Rna-Binding Zinc Finger Protein" 100.00 80 100.00 100.00 6.04e-51 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 no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 18 16:07:37 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 'not present' _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 $NAB2_404-483 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $NAB2_404-483 'recombinant technology' . Escherichia coli BL21 DE3 pGEX6P-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 50 mM [U-2H] arginine 50 mM 'natural abundance' 'glutamic acid' 50 mM 'natural abundance' 'zinc chloride' 10 uM 'natural abundance' mercaptoethanol 5 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D20 5 % 'natural abundance' $NAB2_404-483 1.2 mH '15N,13C U' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'aligned sample for RDC measurements' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 50 mM [U-2H] arginine 50 mM 'natural abundance' 'glutamic acid' 50 mM 'natural abundance' 'zinc chloride' 10 uM 'natural abundance' mercaptoethanol 5 mM [U-2H] 'sodium chloride' 50 mM 'natural abundance' 'tobacco mosaic virus' 25 mg/ml 'natural abundance' H2O 95 % 'natural abundance' D20 5 % 'natural abundance' $NAB2_404-483 1.2 mH '15N,13C U' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _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-15N_HSQC_lomg-range_optimised_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC lomg-range optimised' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H[C]CH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H[C]CH-TOCSY' _Sample_label $sample_1 save_ save_3D_[H]CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [H]CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_(50ms_mixing)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY (50ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_(120_ms_mixing)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY (120 ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_(150_ms_mixing)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic (150 ms mixing)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_(150_ms_mixing)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic (150 ms mixing)' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_IPAP_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC IPAP' _Sample_label $sample_2 save_ save_3D_HNCO_IPAP_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO IPAP' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.125 . M pH 6.75 . pH pressure 1 . atm temperature 290 . 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 TSP C 13 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 TSP N 15 'methyl protons' ppm 0.0 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N HSQC lomg-range optimised' '2D 1H-13C HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D H[C]CH-TOCSY' '3D [H]CCH-TOCSY' '3D 1H-15N NOESY (50ms mixing)' '3D 1H-15N NOESY (120 ms mixing)' '3D 1H-13C NOESY aliphatic (150 ms mixing)' '3D 1H-13C NOESY aromatic (150 ms mixing)' 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 NAB2_404-483 _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 1 404 1 GLY HA2 H 3.856 0.02 1 2 404 1 GLY HA3 H 3.856 0.02 1 3 404 1 GLY CA C 43.689 0.10 1 4 405 2 PRO HA H 4.356 0.02 1 5 405 2 PRO HB2 H 1.817 0.02 2 6 405 2 PRO HB3 H 2.192 0.02 2 7 405 2 PRO HG2 H 1.888 0.02 2 8 405 2 PRO HD3 H 3.453 0.02 2 9 405 2 PRO CA C 63.329 0.10 1 10 405 2 PRO CB C 32.603 0.10 1 11 405 2 PRO CG C 27.346 0.10 1 12 405 2 PRO CD C 49.901 0.10 1 13 406 3 LEU H H 8.571 0.02 1 14 406 3 LEU HA H 4.231 0.02 1 15 406 3 LEU HB2 H 1.481 0.02 2 16 406 3 LEU HB3 H 1.561 0.02 2 17 406 3 LEU HG H 1.532 0.02 1 18 406 3 LEU HD1 H 0.772 0.02 2 19 406 3 LEU HD2 H 0.811 0.02 2 20 406 3 LEU CA C 55.838 0.10 1 21 406 3 LEU CB C 42.529 0.10 1 22 406 3 LEU CG C 27.302 0.10 1 23 406 3 LEU CD1 C 23.747 0.10 2 24 406 3 LEU CD2 C 25.109 0.10 2 25 406 3 LEU N N 122.497 0.10 1 26 407 4 GLY H H 8.504 0.02 1 27 407 4 GLY HA2 H 3.831 0.02 2 28 407 4 GLY HA3 H 3.914 0.02 2 29 407 4 GLY CA C 45.746 0.10 1 30 407 4 GLY N N 110.132 0.10 1 31 408 5 SER H H 8.087 0.02 1 32 408 5 SER HA H 4.321 0.02 1 33 408 5 SER HB2 H 3.703 0.02 2 34 408 5 SER HB3 H 3.783 0.02 2 35 408 5 SER CA C 58.629 0.10 1 36 408 5 SER CB C 64.171 0.10 1 37 408 5 SER N N 114.820 0.10 1 38 409 6 GLU H H 8.483 0.02 1 39 409 6 GLU HA H 4.137 0.02 1 40 409 6 GLU HB2 H 1.841 0.02 2 41 409 6 GLU HB3 H 1.925 0.02 2 42 409 6 GLU HG2 H 2.145 0.02 2 43 409 6 GLU CA C 57.076 0.10 1 44 409 6 GLU CB C 30.420 0.10 1 45 409 6 GLU CG C 36.557 0.10 1 46 409 6 GLU N N 122.539 0.10 1 47 410 7 LYS H H 7.997 0.02 1 48 410 7 LYS HA H 4.332 0.02 1 49 410 7 LYS HB2 H 1.536 0.02 2 50 410 7 LYS HB3 H 1.893 0.02 2 51 410 7 LYS HG2 H 1.261 0.02 2 52 410 7 LYS HG3 H 1.393 0.02 2 53 410 7 LYS HE2 H 2.843 0.02 2 54 410 7 LYS CA C 56.279 0.10 1 55 410 7 LYS CB C 33.875 0.10 1 56 410 7 LYS CG C 25.520 0.10 1 57 410 7 LYS CE C 42.628 0.10 1 58 410 7 LYS N N 120.141 0.10 1 59 411 8 SER H H 8.214 0.02 1 60 411 8 SER HA H 4.542 0.02 1 61 411 8 SER HB2 H 3.326 0.02 2 62 411 8 SER HB3 H 3.641 0.02 2 63 411 8 SER CA C 56.092 0.10 1 64 411 8 SER CB C 65.009 0.10 1 65 411 8 SER N N 114.672 0.10 1 66 412 9 LEU H H 8.487 0.02 1 67 412 9 LEU HA H 3.938 0.02 1 68 412 9 LEU HB2 H 1.221 0.02 2 69 412 9 LEU HB3 H 1.562 0.02 2 70 412 9 LEU HG H 1.508 0.02 1 71 412 9 LEU HD1 H 0.414 0.02 2 72 412 9 LEU HD2 H 0.743 0.02 2 73 412 9 LEU CA C 55.495 0.10 1 74 412 9 LEU CB C 42.864 0.10 1 75 412 9 LEU CG C 26.041 0.10 1 76 412 9 LEU CD1 C 22.648 0.10 2 77 412 9 LEU CD2 C 25.899 0.10 2 78 412 9 LEU N N 122.535 0.10 1 79 413 10 GLU H H 8.483 0.02 1 80 413 10 GLU HA H 3.804 0.02 1 81 413 10 GLU HB2 H 1.696 0.02 2 82 413 10 GLU HB3 H 1.878 0.02 2 83 413 10 GLU HG2 H 1.959 0.02 2 84 413 10 GLU HG3 H 2.118 0.02 2 85 413 10 GLU CA C 57.749 0.10 1 86 413 10 GLU CB C 29.807 0.10 1 87 413 10 GLU CG C 36.642 0.10 1 88 413 10 GLU N N 121.582 0.10 1 89 414 11 GLN H H 8.475 0.02 1 90 414 11 GLN HA H 3.768 0.02 1 91 414 11 GLN HB2 H 1.670 0.02 2 92 414 11 GLN HB3 H 1.852 0.02 2 93 414 11 GLN HG2 H 2.091 0.02 2 94 414 11 GLN HG3 H 2.377 0.02 2 95 414 11 GLN HE21 H 7.447 0.02 1 96 414 11 GLN HE22 H 7.919 0.02 1 97 414 11 GLN CA C 55.415 0.10 1 98 414 11 GLN CB C 29.918 0.10 1 99 414 11 GLN CG C 33.111 0.10 1 100 414 11 GLN N N 124.052 0.10 1 101 414 11 GLN NE2 N 114.381 0.10 1 102 415 12 CYS H H 9.290 0.02 1 103 415 12 CYS HA H 3.668 0.02 1 104 415 12 CYS HB2 H 1.927 0.02 2 105 415 12 CYS HB3 H 2.399 0.02 2 106 415 12 CYS CA C 61.173 0.10 1 107 415 12 CYS CB C 30.342 0.10 1 108 415 12 CYS N N 129.067 0.10 1 109 416 13 LYS H H 8.623 0.02 1 110 416 13 LYS HA H 3.814 0.02 1 111 416 13 LYS HB2 H 1.413 0.02 2 112 416 13 LYS HB3 H 1.444 0.02 2 113 416 13 LYS HG2 H 0.592 0.02 2 114 416 13 LYS HG3 H 0.943 0.02 2 115 416 13 LYS HD3 H 1.399 0.02 2 116 416 13 LYS HE2 H 2.659 0.02 1 117 416 13 LYS HE3 H 2.659 0.02 1 118 416 13 LYS CA C 58.772 0.10 1 119 416 13 LYS CB C 32.186 0.10 1 120 416 13 LYS CG C 24.345 0.10 1 121 416 13 LYS CD C 29.525 0.10 1 122 416 13 LYS CE C 42.188 0.10 1 123 416 13 LYS N N 129.282 0.10 1 124 417 14 PHE H H 8.603 0.02 1 125 417 14 PHE HA H 4.613 0.02 1 126 417 14 PHE HB2 H 2.968 0.02 2 127 417 14 PHE HB3 H 3.052 0.02 2 128 417 14 PHE HD1 H 7.368 0.02 1 129 417 14 PHE HD2 H 7.368 0.02 1 130 417 14 PHE CA C 58.971 0.10 1 131 417 14 PHE CB C 39.352 0.10 1 132 417 14 PHE CD1 C 132.312 0.10 1 133 417 14 PHE CD2 C 132.312 0.10 1 134 417 14 PHE N N 119.338 0.10 1 135 418 15 GLY H H 7.472 0.02 1 136 418 15 GLY HA2 H 3.997 0.02 2 137 418 15 GLY HA3 H 4.217 0.02 2 138 418 15 GLY CA C 47.937 0.10 1 139 418 15 GLY N N 107.206 0.10 1 140 419 16 THR H H 8.740 0.02 1 141 419 16 THR HA H 4.002 0.02 1 142 419 16 THR HB H 4.150 0.02 1 143 419 16 THR HG2 H 1.069 0.02 1 144 419 16 THR CA C 63.842 0.10 1 145 419 16 THR CB C 68.778 0.10 1 146 419 16 THR CG2 C 22.137 0.10 1 147 419 16 THR N N 117.234 0.10 1 148 420 17 HIS H H 8.059 0.02 1 149 420 17 HIS HA H 4.581 0.02 1 150 420 17 HIS HB2 H 3.193 0.02 2 151 420 17 HIS HB3 H 3.321 0.02 2 152 420 17 HIS HD2 H 7.064 0.02 1 153 420 17 HIS HE1 H 7.824 0.02 1 154 420 17 HIS CA C 55.612 0.10 1 155 420 17 HIS CB C 29.751 0.10 1 156 420 17 HIS CD2 C 120.532 0.10 1 157 420 17 HIS CE1 C 138.411 0.10 1 158 420 17 HIS N N 118.028 0.10 1 159 421 18 CYS H H 7.288 0.02 1 160 421 18 CYS HA H 3.849 0.02 1 161 421 18 CYS HB2 H 2.842 0.02 2 162 421 18 CYS HB3 H 3.365 0.02 2 163 421 18 CYS CA C 61.733 0.10 1 164 421 18 CYS CB C 30.570 0.10 1 165 421 18 CYS N N 122.824 0.10 1 166 422 19 THR H H 8.435 0.02 1 167 422 19 THR HA H 4.348 0.02 1 168 422 19 THR HB H 4.441 0.02 1 169 422 19 THR HG2 H 1.064 0.02 1 170 422 19 THR CA C 61.292 0.10 1 171 422 19 THR CB C 69.612 0.10 1 172 422 19 THR CG2 C 21.582 0.10 1 173 422 19 THR N N 119.018 0.10 1 174 423 20 ASN H H 7.924 0.02 1 175 423 20 ASN HA H 4.690 0.02 1 176 423 20 ASN HB2 H 2.812 0.02 2 177 423 20 ASN HB3 H 2.877 0.02 2 178 423 20 ASN HD21 H 6.937 0.02 1 179 423 20 ASN HD22 H 7.787 0.02 1 180 423 20 ASN CA C 52.203 0.10 1 181 423 20 ASN CB C 38.747 0.10 1 182 423 20 ASN N N 121.923 0.10 1 183 423 20 ASN ND2 N 111.059 0.10 1 184 424 21 LYS H H 9.094 0.02 1 185 424 21 LYS HA H 3.922 0.02 1 186 424 21 LYS HB2 H 1.685 0.02 2 187 424 21 LYS HB3 H 1.753 0.02 2 188 424 21 LYS HG2 H 1.366 0.02 2 189 424 21 LYS HG3 H 1.423 0.02 2 190 424 21 LYS HD3 H 1.557 0.02 2 191 424 21 LYS HE2 H 2.880 0.02 2 192 424 21 LYS CA C 58.647 0.10 1 193 424 21 LYS CB C 32.289 0.10 1 194 424 21 LYS CG C 25.441 0.10 1 195 424 21 LYS CD C 29.481 0.10 1 196 424 21 LYS CE C 42.267 0.10 1 197 424 21 LYS N N 127.775 0.10 1 198 425 22 ARG H H 7.825 0.02 1 199 425 22 ARG HA H 4.270 0.02 1 200 425 22 ARG HB2 H 1.524 0.02 2 201 425 22 ARG HB3 H 1.933 0.02 2 202 425 22 ARG HG2 H 1.419 0.02 2 203 425 22 ARG HG3 H 1.484 0.02 2 204 425 22 ARG HD3 H 3.061 0.02 2 205 425 22 ARG CA C 54.832 0.10 1 206 425 22 ARG CB C 29.549 0.10 1 207 425 22 ARG CG C 27.683 0.10 1 208 425 22 ARG CD C 43.457 0.10 1 209 425 22 ARG N N 116.206 0.10 1 210 426 23 CYS H H 7.273 0.02 1 211 426 23 CYS HA H 3.867 0.02 1 212 426 23 CYS HB2 H 2.822 0.02 2 213 426 23 CYS HB3 H 3.121 0.02 2 214 426 23 CYS CA C 62.205 0.10 1 215 426 23 CYS CB C 30.940 0.10 1 216 426 23 CYS N N 123.387 0.10 1 217 427 24 LYS H H 8.525 0.02 1 218 427 24 LYS HA H 4.299 0.02 1 219 427 24 LYS HB2 H 1.523 0.02 1 220 427 24 LYS HB3 H 1.523 0.02 1 221 427 24 LYS HG2 H 0.566 0.02 2 222 427 24 LYS HG3 H 0.987 0.02 2 223 427 24 LYS HD2 H 1.321 0.02 2 224 427 24 LYS HD3 H 1.350 0.02 2 225 427 24 LYS HE2 H 2.689 0.02 1 226 427 24 LYS HE3 H 2.689 0.02 1 227 427 24 LYS CA C 57.047 0.10 1 228 427 24 LYS CB C 33.275 0.10 1 229 427 24 LYS CG C 23.563 0.10 1 230 427 24 LYS CD C 29.587 0.10 1 231 427 24 LYS CE C 42.435 0.10 1 232 427 24 LYS N N 128.443 0.10 1 233 428 25 TYR H H 8.066 0.02 1 234 428 25 TYR HA H 4.569 0.02 1 235 428 25 TYR HB2 H 2.388 0.02 2 236 428 25 TYR HB3 H 3.241 0.02 2 237 428 25 TYR HD1 H 7.165 0.02 1 238 428 25 TYR HD2 H 7.165 0.02 1 239 428 25 TYR HE1 H 6.759 0.02 1 240 428 25 TYR HE2 H 6.759 0.02 1 241 428 25 TYR CA C 58.470 0.10 1 242 428 25 TYR CB C 39.830 0.10 1 243 428 25 TYR CD1 C 133.523 0.10 1 244 428 25 TYR CD2 C 133.523 0.10 1 245 428 25 TYR CE1 C 118.192 0.10 1 246 428 25 TYR CE2 C 118.192 0.10 1 247 428 25 TYR N N 123.059 0.10 1 248 429 26 ARG H H 8.275 0.02 1 249 429 26 ARG HA H 4.429 0.02 1 250 429 26 ARG HB2 H 1.599 0.02 1 251 429 26 ARG HB3 H 1.599 0.02 1 252 429 26 ARG HD2 H 2.980 0.02 2 253 429 26 ARG HD3 H 3.204 0.02 2 254 429 26 ARG CA C 58.979 0.10 1 255 429 26 ARG CB C 33.073 0.10 1 256 429 26 ARG CD C 46.328 0.10 1 257 429 26 ARG N N 116.840 0.10 1 258 430 27 HIS H H 8.154 0.02 1 259 430 27 HIS HA H 4.553 0.02 1 260 430 27 HIS HB2 H 2.590 0.02 2 261 430 27 HIS HB3 H 2.813 0.02 2 262 430 27 HIS HD2 H 7.185 0.02 1 263 430 27 HIS HE1 H 7.723 0.02 1 264 430 27 HIS CA C 56.912 0.10 1 265 430 27 HIS CB C 30.715 0.10 1 266 430 27 HIS CD2 C 126.745 0.10 1 267 430 27 HIS CE1 C 141.036 0.10 1 268 430 27 HIS N N 117.522 0.10 1 269 431 28 ALA H H 8.061 0.02 1 270 431 28 ALA HA H 4.106 0.02 1 271 431 28 ALA HB H 1.167 0.02 1 272 431 28 ALA CA C 51.833 0.10 1 273 431 28 ALA CB C 18.291 0.10 1 274 431 28 ALA N N 126.087 0.10 1 275 432 29 ARG H H 8.630 0.02 1 276 432 29 ARG HA H 4.280 0.02 1 277 432 29 ARG HB2 H 1.436 0.02 2 278 432 29 ARG HB3 H 1.913 0.02 2 279 432 29 ARG HG2 H 1.419 0.02 2 280 432 29 ARG HG3 H 1.544 0.02 2 281 432 29 ARG HD2 H 3.025 0.02 2 282 432 29 ARG HD3 H 3.028 0.02 2 283 432 29 ARG CA C 55.492 0.10 1 284 432 29 ARG CB C 31.353 0.10 1 285 432 29 ARG CG C 27.833 0.10 1 286 432 29 ARG CD C 43.327 0.10 1 287 432 29 ARG N N 121.538 0.10 1 288 433 30 SER H H 7.450 0.02 1 289 433 30 SER HA H 4.463 0.02 1 290 433 30 SER HB2 H 3.251 0.02 2 291 433 30 SER HB3 H 3.516 0.02 2 292 433 30 SER CA C 56.566 0.10 1 293 433 30 SER CB C 64.803 0.10 1 294 433 30 SER N N 112.439 0.10 1 295 434 31 HIS H H 8.132 0.02 1 296 434 31 HIS HA H 4.279 0.02 1 297 434 31 HIS HB2 H 2.503 0.02 2 298 434 31 HIS HB3 H 2.559 0.02 2 299 434 31 HIS HD2 H 6.285 0.02 1 300 434 31 HIS HE1 H 7.631 0.02 1 301 434 31 HIS CA C 56.955 0.10 1 302 434 31 HIS CB C 29.834 0.10 1 303 434 31 HIS CD2 C 118.866 0.10 1 304 434 31 HIS CE1 C 138.715 0.10 1 305 434 31 HIS N N 121.494 0.10 1 306 435 32 ILE H H 7.858 0.02 1 307 435 32 ILE HA H 3.506 0.02 1 308 435 32 ILE HB H 1.706 0.02 1 309 435 32 ILE HG12 H 0.674 0.02 2 310 435 32 ILE HG13 H 0.852 0.02 2 311 435 32 ILE HG2 H 0.503 0.02 1 312 435 32 ILE HD1 H 0.603 0.02 1 313 435 32 ILE CA C 61.345 0.10 1 314 435 32 ILE CB C 37.765 0.10 1 315 435 32 ILE CG1 C 28.007 0.10 1 316 435 32 ILE CG2 C 17.189 0.10 1 317 435 32 ILE CD1 C 12.250 0.10 1 318 435 32 ILE N N 123.851 0.10 1 319 436 33 MET H H 8.317 0.02 1 320 436 33 MET HA H 4.050 0.02 1 321 436 33 MET HB2 H 1.739 0.02 2 322 436 33 MET HB3 H 1.821 0.02 2 323 436 33 MET HG2 H 2.461 0.02 2 324 436 33 MET HG3 H 2.568 0.02 2 325 436 33 MET HE H 1.880 0.02 1 326 436 33 MET CA C 54.733 0.10 1 327 436 33 MET CB C 31.934 0.10 1 328 436 33 MET CG C 32.681 0.10 1 329 436 33 MET CE C 17.323 0.10 1 330 436 33 MET N N 125.294 0.10 1 331 437 34 CYS H H 9.255 0.02 1 332 437 34 CYS HA H 3.389 0.02 1 333 437 34 CYS HB2 H 2.096 0.02 2 334 437 34 CYS HB3 H 2.519 0.02 2 335 437 34 CYS CA C 61.544 0.10 1 336 437 34 CYS CB C 31.325 0.10 1 337 437 34 CYS N N 127.958 0.10 1 338 438 35 ARG H H 8.645 0.02 1 339 438 35 ARG HA H 3.887 0.02 1 340 438 35 ARG HB2 H 1.759 0.02 1 341 438 35 ARG HB3 H 1.759 0.02 1 342 438 35 ARG HG2 H 1.542 0.02 2 343 438 35 ARG HG3 H 1.543 0.02 2 344 438 35 ARG HD2 H 3.072 0.02 2 345 438 35 ARG HD3 H 3.073 0.02 2 346 438 35 ARG CA C 59.466 0.10 1 347 438 35 ARG CB C 30.251 0.10 1 348 438 35 ARG CG C 27.001 0.10 1 349 438 35 ARG CD C 43.459 0.10 1 350 438 35 ARG N N 131.582 0.10 1 351 439 36 GLU H H 8.302 0.02 1 352 439 36 GLU HA H 4.284 0.02 1 353 439 36 GLU HB2 H 1.954 0.02 2 354 439 36 GLU HB3 H 1.955 0.02 2 355 439 36 GLU HG2 H 2.190 0.02 1 356 439 36 GLU HG3 H 2.190 0.02 1 357 439 36 GLU CA C 57.440 0.10 1 358 439 36 GLU CB C 30.295 0.10 1 359 439 36 GLU CG C 38.461 0.10 1 360 439 36 GLU N N 117.530 0.10 1 361 440 37 GLY H H 7.518 0.02 1 362 440 37 GLY HA2 H 3.809 0.02 2 363 440 37 GLY HA3 H 3.829 0.02 2 364 440 37 GLY CA C 47.353 0.10 1 365 440 37 GLY N N 107.589 0.10 1 366 441 38 ALA H H 9.114 0.02 1 367 441 38 ALA HA H 4.180 0.02 1 368 441 38 ALA HB H 1.319 0.02 1 369 441 38 ALA CA C 53.717 0.10 1 370 441 38 ALA CB C 19.127 0.10 1 371 441 38 ALA N N 126.673 0.10 1 372 442 39 ASN H H 8.072 0.02 1 373 442 39 ASN HA H 4.655 0.02 1 374 442 39 ASN HB2 H 2.748 0.02 2 375 442 39 ASN HB3 H 2.891 0.02 2 376 442 39 ASN HD21 H 6.930 0.02 1 377 442 39 ASN HD22 H 7.645 0.02 1 378 442 39 ASN CA C 52.940 0.10 1 379 442 39 ASN CB C 39.264 0.10 1 380 442 39 ASN N N 113.951 0.10 1 381 442 39 ASN ND2 N 113.743 0.10 1 382 443 40 CYS H H 7.237 0.02 1 383 443 40 CYS HA H 4.070 0.02 1 384 443 40 CYS HB2 H 2.749 0.02 2 385 443 40 CYS HB3 H 3.291 0.02 2 386 443 40 CYS CA C 60.661 0.10 1 387 443 40 CYS CB C 31.037 0.10 1 388 443 40 CYS N N 122.245 0.10 1 389 444 41 THR H H 9.033 0.02 1 390 444 41 THR HA H 4.411 0.02 1 391 444 41 THR HB H 4.496 0.02 1 392 444 41 THR HG2 H 1.017 0.02 1 393 444 41 THR CA C 61.110 0.10 1 394 444 41 THR CB C 68.937 0.10 1 395 444 41 THR CG2 C 21.312 0.10 1 396 444 41 THR N N 120.684 0.10 1 397 445 42 ARG H H 7.927 0.02 1 398 445 42 ARG HA H 4.329 0.02 1 399 445 42 ARG HB2 H 1.680 0.02 2 400 445 42 ARG HB3 H 1.681 0.02 2 401 445 42 ARG HG2 H 1.506 0.02 2 402 445 42 ARG HG3 H 1.682 0.02 2 403 445 42 ARG HD2 H 3.164 0.02 1 404 445 42 ARG HD3 H 3.164 0.02 1 405 445 42 ARG CA C 56.416 0.10 1 406 445 42 ARG CB C 30.604 0.10 1 407 445 42 ARG CG C 27.777 0.10 1 408 445 42 ARG CD C 43.797 0.10 1 409 445 42 ARG N N 123.977 0.10 1 410 446 43 ILE H H 9.010 0.02 1 411 446 43 ILE HA H 3.609 0.02 1 412 446 43 ILE HB H 1.756 0.02 1 413 446 43 ILE HG12 H 1.184 0.02 2 414 446 43 ILE HG13 H 1.311 0.02 2 415 446 43 ILE HG2 H 0.775 0.02 1 416 446 43 ILE HD1 H 0.589 0.02 1 417 446 43 ILE CA C 63.023 0.10 1 418 446 43 ILE CB C 38.463 0.10 1 419 446 43 ILE CG1 C 28.505 0.10 1 420 446 43 ILE CG2 C 18.297 0.10 1 421 446 43 ILE CD1 C 13.317 0.10 1 422 446 43 ILE N N 132.203 0.10 1 423 447 44 ASP H H 8.191 0.02 1 424 447 44 ASP HA H 4.555 0.02 1 425 447 44 ASP HB2 H 2.502 0.02 2 426 447 44 ASP HB3 H 2.721 0.02 2 427 447 44 ASP CA C 52.727 0.10 1 428 447 44 ASP CB C 40.177 0.10 1 429 447 44 ASP N N 116.309 0.10 1 430 448 45 CYS H H 7.113 0.02 1 431 448 45 CYS HA H 3.913 0.02 1 432 448 45 CYS HB2 H 2.873 0.02 2 433 448 45 CYS HB3 H 2.967 0.02 2 434 448 45 CYS CA C 62.082 0.10 1 435 448 45 CYS CB C 31.510 0.10 1 436 448 45 CYS N N 121.173 0.10 1 437 449 46 LEU H H 8.451 0.02 1 438 449 46 LEU HA H 4.657 0.02 1 439 449 46 LEU HB2 H 1.313 0.02 1 440 449 46 LEU HB3 H 1.313 0.02 1 441 449 46 LEU HG H 1.597 0.02 1 442 449 46 LEU HD1 H 0.488 0.02 2 443 449 46 LEU HD2 H 0.704 0.02 2 444 449 46 LEU CA C 55.144 0.10 1 445 449 46 LEU CB C 43.004 0.10 1 446 449 46 LEU CG C 26.041 0.10 1 447 449 46 LEU CD1 C 25.235 0.10 2 448 449 46 LEU CD2 C 24.231 0.10 2 449 449 46 LEU N N 128.150 0.10 1 450 450 47 PHE H H 8.390 0.02 1 451 450 47 PHE HA H 4.527 0.02 1 452 450 47 PHE HB2 H 2.425 0.02 2 453 450 47 PHE HB3 H 3.111 0.02 2 454 450 47 PHE HD1 H 7.341 0.02 1 455 450 47 PHE HD2 H 7.341 0.02 1 456 450 47 PHE HE1 H 7.223 0.02 1 457 450 47 PHE HE2 H 7.223 0.02 1 458 450 47 PHE CA C 58.198 0.10 1 459 450 47 PHE CB C 39.901 0.10 1 460 450 47 PHE CD1 C 131.994 0.10 1 461 450 47 PHE CD2 C 131.994 0.10 1 462 450 47 PHE CE1 C 131.013 0.10 1 463 450 47 PHE CE2 C 131.013 0.10 1 464 450 47 PHE N N 120.646 0.10 1 465 451 48 GLY H H 8.643 0.02 1 466 451 48 GLY HA2 H 3.622 0.02 1 467 451 48 GLY HA3 H 3.622 0.02 1 468 451 48 GLY CA C 47.675 0.10 1 469 451 48 GLY N N 104.118 0.10 1 470 452 49 HIS H H 6.951 0.02 1 471 452 49 HIS HA H 4.725 0.02 1 472 452 49 HIS HB2 H 2.570 0.02 2 473 452 49 HIS HB3 H 2.997 0.02 2 474 452 49 HIS HD2 H 7.208 0.02 1 475 452 49 HIS HE1 H 7.578 0.02 1 476 452 49 HIS CA C 54.408 0.10 1 477 452 49 HIS CB C 29.515 0.10 1 478 452 49 HIS CD2 C 128.064 0.10 1 479 452 49 HIS CE1 C 140.103 0.10 1 480 452 49 HIS N N 119.710 0.10 1 481 453 50 PRO HA H 4.291 0.02 1 482 453 50 PRO HB2 H 1.695 0.02 2 483 453 50 PRO HB3 H 2.297 0.02 2 484 453 50 PRO HG2 H 1.900 0.02 2 485 453 50 PRO HG3 H 1.961 0.02 2 486 453 50 PRO HD2 H 3.352 0.02 2 487 453 50 PRO HD3 H 3.648 0.02 2 488 453 50 PRO CA C 63.872 0.10 1 489 453 50 PRO CB C 32.724 0.10 1 490 453 50 PRO CG C 28.161 0.10 1 491 453 50 PRO CD C 50.140 0.10 1 492 454 51 ILE H H 8.189 0.02 1 493 454 51 ILE HA H 3.787 0.02 1 494 454 51 ILE HB H 0.757 0.02 1 495 454 51 ILE HG12 H 0.370 0.02 2 496 454 51 ILE HG13 H 1.377 0.02 2 497 454 51 ILE HG2 H 0.362 0.02 1 498 454 51 ILE HD1 H 0.159 0.02 1 499 454 51 ILE CA C 61.010 0.10 1 500 454 51 ILE CB C 40.204 0.10 1 501 454 51 ILE CG1 C 27.830 0.10 1 502 454 51 ILE CG2 C 18.019 0.10 1 503 454 51 ILE CD1 C 14.742 0.10 1 504 454 51 ILE N N 122.942 0.10 1 505 455 52 ASN H H 8.791 0.02 1 506 455 52 ASN HA H 4.641 0.02 1 507 455 52 ASN HB2 H 2.531 0.02 2 508 455 52 ASN HB3 H 2.729 0.02 2 509 455 52 ASN HD21 H 6.832 0.02 1 510 455 52 ASN HD22 H 7.617 0.02 1 511 455 52 ASN CA C 52.832 0.10 1 512 455 52 ASN CB C 36.969 0.10 1 513 455 52 ASN N N 128.496 0.10 1 514 455 52 ASN ND2 N 113.096 0.10 1 515 456 53 GLU H H 8.177 0.02 1 516 456 53 GLU HA H 4.318 0.02 1 517 456 53 GLU HB2 H 1.771 0.02 2 518 456 53 GLU HB3 H 1.767 0.02 2 519 456 53 GLU HG2 H 2.086 0.02 1 520 456 53 GLU HG3 H 2.086 0.02 1 521 456 53 GLU CA C 55.588 0.10 1 522 456 53 GLU CB C 33.826 0.10 1 523 456 53 GLU CG C 36.550 0.10 1 524 456 53 GLU N N 120.059 0.10 1 525 457 54 ASP H H 8.923 0.02 1 526 457 54 ASP HA H 4.446 0.02 1 527 457 54 ASP HB2 H 2.302 0.02 2 528 457 54 ASP HB3 H 2.361 0.02 2 529 457 54 ASP CA C 55.594 0.10 1 530 457 54 ASP CB C 41.033 0.10 1 531 457 54 ASP N N 124.404 0.10 1 532 458 55 CYS H H 9.113 0.02 1 533 458 55 CYS HA H 3.360 0.02 1 534 458 55 CYS HB2 H 1.980 0.02 2 535 458 55 CYS HB3 H 2.439 0.02 2 536 458 55 CYS CA C 61.284 0.10 1 537 458 55 CYS CB C 31.125 0.10 1 538 458 55 CYS N N 125.765 0.10 1 539 459 56 ARG H H 8.601 0.02 1 540 459 56 ARG HA H 3.875 0.02 1 541 459 56 ARG HB2 H 1.204 0.02 2 542 459 56 ARG HB3 H 1.409 0.02 2 543 459 56 ARG HG2 H 0.487 0.02 2 544 459 56 ARG HG3 H 0.957 0.02 2 545 459 56 ARG HD2 H 2.720 0.02 1 546 459 56 ARG HD3 H 2.720 0.02 1 547 459 56 ARG HE H 7.243 0.02 1 548 459 56 ARG CA C 58.610 0.10 1 549 459 56 ARG CB C 29.566 0.10 1 550 459 56 ARG CG C 25.949 0.10 1 551 459 56 ARG CD C 43.434 0.10 1 552 459 56 ARG N N 130.790 0.10 1 553 460 57 PHE H H 8.589 0.02 1 554 460 57 PHE HA H 4.560 0.02 1 555 460 57 PHE HB2 H 2.841 0.02 2 556 460 57 PHE HB3 H 3.043 0.02 2 557 460 57 PHE HD1 H 7.237 0.02 1 558 460 57 PHE HD2 H 7.237 0.02 1 559 460 57 PHE CA C 58.367 0.10 1 560 460 57 PHE CB C 39.049 0.10 1 561 460 57 PHE CD1 C 131.984 0.10 1 562 460 57 PHE CD2 C 131.984 0.10 1 563 460 57 PHE N N 119.175 0.10 1 564 461 58 GLY H H 7.386 0.02 1 565 461 58 GLY HA2 H 3.939 0.02 2 566 461 58 GLY HA3 H 3.987 0.02 2 567 461 58 GLY CA C 47.253 0.10 1 568 461 58 GLY N N 107.317 0.10 1 569 462 59 VAL H H 8.881 0.02 1 570 462 59 VAL HA H 3.674 0.02 1 571 462 59 VAL HB H 2.033 0.02 1 572 462 59 VAL HG1 H 0.819 0.02 2 573 462 59 VAL HG2 H 0.820 0.02 2 574 462 59 VAL CA C 64.142 0.10 1 575 462 59 VAL CB C 32.275 0.10 1 576 462 59 VAL CG1 C 20.885 0.10 2 577 462 59 VAL CG2 C 20.113 0.10 2 578 462 59 VAL N N 120.829 0.10 1 579 463 60 ASN H H 7.819 0.02 1 580 463 60 ASN HA H 4.667 0.02 1 581 463 60 ASN HB2 H 2.744 0.02 2 582 463 60 ASN HB3 H 2.897 0.02 2 583 463 60 ASN HD21 H 7.012 0.02 1 584 463 60 ASN HD22 H 7.717 0.02 1 585 463 60 ASN CA C 53.316 0.10 1 586 463 60 ASN CB C 39.355 0.10 1 587 463 60 ASN N N 114.923 0.10 1 588 463 60 ASN ND2 N 114.684 0.10 1 589 464 61 CYS H H 7.049 0.02 1 590 464 61 CYS HA H 3.770 0.02 1 591 464 61 CYS HB2 H 2.791 0.02 2 592 464 61 CYS HB3 H 3.405 0.02 2 593 464 61 CYS CA C 61.725 0.10 1 594 464 61 CYS CB C 30.891 0.10 1 595 464 61 CYS N N 121.670 0.10 1 596 465 62 LYS H H 8.836 0.02 1 597 465 62 LYS HA H 4.312 0.02 1 598 465 62 LYS HB2 H 1.469 0.02 2 599 465 62 LYS HB3 H 1.918 0.02 2 600 465 62 LYS HG2 H 1.294 0.02 2 601 465 62 LYS HG3 H 1.364 0.02 2 602 465 62 LYS HD2 H 1.430 0.02 2 603 465 62 LYS HD3 H 1.524 0.02 2 604 465 62 LYS HE2 H 2.848 0.02 2 605 465 62 LYS HE3 H 2.852 0.02 2 606 465 62 LYS CA C 55.230 0.10 1 607 465 62 LYS CB C 32.794 0.10 1 608 465 62 LYS CG C 24.496 0.10 1 609 465 62 LYS CD C 28.943 0.10 1 610 465 62 LYS CE C 42.538 0.10 1 611 465 62 LYS N N 131.072 0.10 1 612 466 63 ASN H H 7.660 0.02 1 613 466 63 ASN HA H 4.596 0.02 1 614 466 63 ASN HB2 H 2.779 0.02 2 615 466 63 ASN HB3 H 2.829 0.02 2 616 466 63 ASN HD21 H 7.148 0.02 1 617 466 63 ASN HD22 H 7.751 0.02 1 618 466 63 ASN CA C 52.210 0.10 1 619 466 63 ASN CB C 38.827 0.10 1 620 466 63 ASN N N 119.130 0.10 1 621 466 63 ASN ND2 N 110.737 0.10 1 622 467 64 ILE H H 8.475 0.02 1 623 467 64 ILE HA H 3.539 0.02 1 624 467 64 ILE HB H 1.411 0.02 1 625 467 64 ILE HG12 H 0.456 0.02 2 626 467 64 ILE HG13 H 0.726 0.02 2 627 467 64 ILE HG2 H 0.448 0.02 1 628 467 64 ILE HD1 H 0.473 0.02 1 629 467 64 ILE CA C 64.493 0.10 1 630 467 64 ILE CB C 38.068 0.10 1 631 467 64 ILE CG1 C 26.879 0.10 1 632 467 64 ILE CG2 C 17.294 0.10 1 633 467 64 ILE CD1 C 14.285 0.10 1 634 467 64 ILE N N 125.111 0.10 1 635 468 65 TYR H H 7.462 0.02 1 636 468 65 TYR HA H 4.538 0.02 1 637 468 65 TYR HB2 H 2.627 0.02 2 638 468 65 TYR HB3 H 3.433 0.02 2 639 468 65 TYR HD1 H 7.017 0.02 1 640 468 65 TYR HD2 H 7.017 0.02 1 641 468 65 TYR HE1 H 6.641 0.02 1 642 468 65 TYR HE2 H 6.641 0.02 1 643 468 65 TYR CA C 57.003 0.10 1 644 468 65 TYR CB C 37.716 0.10 1 645 468 65 TYR CD1 C 133.453 0.10 1 646 468 65 TYR CD2 C 133.453 0.10 1 647 468 65 TYR CE1 C 118.539 0.10 1 648 468 65 TYR CE2 C 118.539 0.10 1 649 468 65 TYR N N 118.920 0.10 1 650 469 66 CYS H H 7.305 0.02 1 651 469 66 CYS HA H 4.009 0.02 1 652 469 66 CYS HB2 H 2.933 0.02 1 653 469 66 CYS HB3 H 2.933 0.02 1 654 469 66 CYS CA C 62.039 0.10 1 655 469 66 CYS CB C 31.455 0.10 1 656 469 66 CYS N N 122.658 0.10 1 657 470 67 LEU H H 9.002 0.02 1 658 470 67 LEU HA H 4.353 0.02 1 659 470 67 LEU HB2 H 1.398 0.02 2 660 470 67 LEU HB3 H 1.823 0.02 2 661 470 67 LEU HG H 1.802 0.02 1 662 470 67 LEU HD1 H 0.574 0.02 2 663 470 67 LEU HD2 H 0.907 0.02 2 664 470 67 LEU CA C 55.947 0.10 1 665 470 67 LEU CB C 42.125 0.10 1 666 470 67 LEU CG C 26.276 0.10 1 667 470 67 LEU CD1 C 22.467 0.10 2 668 470 67 LEU CD2 C 25.217 0.10 2 669 470 67 LEU N N 130.238 0.10 1 670 471 68 PHE H H 8.519 0.02 1 671 471 68 PHE HA H 4.576 0.02 1 672 471 68 PHE HB2 H 2.733 0.02 2 673 471 68 PHE HB3 H 3.028 0.02 2 674 471 68 PHE HD1 H 7.236 0.02 1 675 471 68 PHE HD2 H 7.236 0.02 1 676 471 68 PHE CA C 59.242 0.10 1 677 471 68 PHE CB C 39.865 0.10 1 678 471 68 PHE CD1 C 132.174 0.10 1 679 471 68 PHE CD2 C 132.174 0.10 1 680 471 68 PHE N N 120.946 0.10 1 681 472 69 ARG H H 8.417 0.02 1 682 472 69 ARG HA H 4.331 0.02 1 683 472 69 ARG HB2 H 1.673 0.02 2 684 472 69 ARG HB3 H 1.691 0.02 2 685 472 69 ARG HG2 H 1.430 0.02 2 686 472 69 ARG HG3 H 1.575 0.02 2 687 472 69 ARG HD2 H 3.027 0.02 2 688 472 69 ARG HD3 H 3.154 0.02 2 689 472 69 ARG HE H 7.369 0.02 1 690 472 69 ARG CA C 56.933 0.10 1 691 472 69 ARG CB C 31.822 0.10 1 692 472 69 ARG CG C 27.806 0.10 1 693 472 69 ARG CD C 44.107 0.10 1 694 472 69 ARG N N 116.975 0.10 1 695 473 70 HIS H H 8.499 0.02 1 696 473 70 HIS HA H 4.991 0.02 1 697 473 70 HIS HB2 H 2.707 0.02 2 698 473 70 HIS HB3 H 2.850 0.02 2 699 473 70 HIS HD2 H 7.194 0.02 1 700 473 70 HIS HE1 H 7.656 0.02 1 701 473 70 HIS CA C 55.311 0.10 1 702 473 70 HIS CB C 30.613 0.10 1 703 473 70 HIS CD2 C 127.269 0.10 1 704 473 70 HIS CE1 C 140.516 0.10 1 705 473 70 HIS N N 118.809 0.10 1 706 474 71 PRO HA H 4.742 0.02 1 707 474 71 PRO HB2 H 1.725 0.02 2 708 474 71 PRO HB3 H 2.442 0.02 2 709 474 71 PRO HG2 H 1.929 0.02 2 710 474 71 PRO HG3 H 1.930 0.02 2 711 474 71 PRO HD2 H 3.014 0.02 2 712 474 71 PRO HD3 H 4.046 0.02 2 713 474 71 PRO CA C 61.250 0.10 1 714 474 71 PRO CB C 30.743 0.10 1 715 474 71 PRO CG C 27.904 0.10 1 716 474 71 PRO CD C 50.498 0.10 1 717 475 72 PRO HA H 4.279 0.02 1 718 475 72 PRO HB2 H 1.753 0.02 2 719 475 72 PRO HB3 H 2.242 0.02 2 720 475 72 PRO HG2 H 1.939 0.02 1 721 475 72 PRO HG3 H 1.939 0.02 1 722 475 72 PRO HD2 H 3.530 0.02 2 723 475 72 PRO HD3 H 3.714 0.02 2 724 475 72 PRO CA C 63.941 0.10 1 725 475 72 PRO CB C 32.122 0.10 1 726 475 72 PRO CG C 27.817 0.10 1 727 475 72 PRO CD C 50.746 0.10 1 728 476 73 GLY H H 8.359 0.02 1 729 476 73 GLY HA2 H 3.608 0.02 2 730 476 73 GLY HA3 H 3.925 0.02 2 731 476 73 GLY CA C 45.142 0.10 1 732 476 73 GLY N N 106.525 0.10 1 733 477 74 ARG H H 7.255 0.02 1 734 477 74 ARG HA H 4.223 0.02 1 735 477 74 ARG HB2 H 1.574 0.02 2 736 477 74 ARG HB3 H 1.708 0.02 2 737 477 74 ARG HG2 H 1.287 0.02 1 738 477 74 ARG HG3 H 1.287 0.02 1 739 477 74 ARG HD2 H 2.540 0.02 1 740 477 74 ARG HD3 H 2.540 0.02 1 741 477 74 ARG HE H 6.696 0.02 1 742 477 74 ARG CA C 57.021 0.10 1 743 477 74 ARG CB C 31.388 0.10 1 744 477 74 ARG CG C 27.048 0.10 1 745 477 74 ARG CD C 45.267 0.10 1 746 477 74 ARG N N 121.516 0.10 1 747 478 75 VAL H H 8.569 0.02 1 748 478 75 VAL HA H 4.054 0.02 1 749 478 75 VAL HB H 1.827 0.02 1 750 478 75 VAL HG1 H 0.745 0.02 2 751 478 75 VAL HG2 H 0.765 0.02 2 752 478 75 VAL CA C 61.925 0.10 1 753 478 75 VAL CB C 33.788 0.10 1 754 478 75 VAL CG1 C 21.316 0.10 2 755 478 75 VAL CG2 C 20.622 0.10 2 756 478 75 VAL N N 128.411 0.10 1 757 479 76 LEU H H 8.338 0.02 1 758 479 76 LEU HA H 4.462 0.02 1 759 479 76 LEU HB2 H 1.328 0.02 2 760 479 76 LEU HB3 H 1.416 0.02 2 761 479 76 LEU HG H 1.360 0.02 1 762 479 76 LEU HD1 H 0.619 0.02 2 763 479 76 LEU HD2 H 0.707 0.02 2 764 479 76 LEU CA C 52.474 0.10 1 765 479 76 LEU CB C 42.068 0.10 1 766 479 76 LEU CG C 27.254 0.10 1 767 479 76 LEU CD1 C 23.354 0.10 2 768 479 76 LEU CD2 C 25.506 0.10 2 769 479 76 LEU N N 127.195 0.10 1 770 480 77 PRO HA H 4.251 0.02 1 771 480 77 PRO HB2 H 1.713 0.02 2 772 480 77 PRO HB3 H 2.137 0.02 2 773 480 77 PRO HG2 H 1.851 0.02 2 774 480 77 PRO HG3 H 1.852 0.02 2 775 480 77 PRO HD2 H 3.394 0.02 2 776 480 77 PRO HD3 H 3.649 0.02 2 777 480 77 PRO CA C 63.072 0.10 1 778 480 77 PRO CB C 32.313 0.10 1 779 480 77 PRO CG C 27.795 0.10 1 780 480 77 PRO CD C 50.738 0.10 1 781 481 78 GLU H H 8.328 0.02 1 782 481 78 GLU HA H 4.089 0.02 1 783 481 78 GLU HB2 H 1.770 0.02 2 784 481 78 GLU HB3 H 1.856 0.02 2 785 481 78 GLU HG2 H 2.099 0.02 2 786 481 78 GLU HG3 H 2.158 0.02 2 787 481 78 GLU CA C 56.521 0.10 1 788 481 78 GLU CB C 31.032 0.10 1 789 481 78 GLU CG C 36.512 0.10 1 790 481 78 GLU N N 120.828 0.10 1 791 482 79 LYS H H 8.332 0.02 1 792 482 79 LYS HA H 4.166 0.02 1 793 482 79 LYS HB2 H 1.584 0.02 2 794 482 79 LYS HB3 H 1.687 0.02 2 795 482 79 LYS HG2 H 1.274 0.02 2 796 482 79 LYS HG3 H 1.296 0.02 2 797 482 79 LYS HD2 H 1.539 0.02 1 798 482 79 LYS HD3 H 1.539 0.02 1 799 482 79 LYS HE2 H 2.857 0.02 1 800 482 79 LYS HE3 H 2.857 0.02 1 801 482 79 LYS CA C 56.581 0.10 1 802 482 79 LYS CB C 33.279 0.10 1 803 482 79 LYS CG C 24.795 0.10 1 804 482 79 LYS CD C 29.419 0.10 1 805 482 79 LYS CE C 42.447 0.10 1 806 482 79 LYS N N 123.778 0.10 1 807 483 80 LYS H H 7.984 0.02 1 808 483 80 LYS HA H 4.037 0.02 1 809 483 80 LYS HB2 H 1.566 0.02 2 810 483 80 LYS HB3 H 1.685 0.02 2 811 483 80 LYS HG2 H 1.251 0.02 2 812 483 80 LYS HG3 H 1.271 0.02 2 813 483 80 LYS HD2 H 1.528 0.02 1 814 483 80 LYS HD3 H 1.528 0.02 1 815 483 80 LYS HE2 H 2.855 0.02 1 816 483 80 LYS HE3 H 2.855 0.02 1 817 483 80 LYS CA C 57.856 0.10 1 818 483 80 LYS CB C 34.006 0.10 1 819 483 80 LYS CG C 25.027 0.10 1 820 483 80 LYS CD C 29.437 0.10 1 821 483 80 LYS CE C 42.510 0.10 1 822 483 80 LYS N N 129.186 0.10 1 stop_ save_