data_18955 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; STRUCTURE OF NAB2P TANDEM ZINC FINGER 12 ; _BMRB_accession_number 18955 _BMRB_flat_file_name bmr18955.str _Entry_type original _Submission_date 2013-01-16 _Accession_date 2013-01-16 _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 Martinez-lubreras S. . . 2 Santiveri C. M. . 3 Mirassou Y. . . 4 Zorrilla S. . . 5 Perez-Canadillas 'Jose Manuel' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 444 "13C chemical shifts" 313 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-12-11 update BMRB 'update entry citation' 2013-08-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18956 'Structure of NAB2P tandem Zinc finger 34' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Two singular types of CCCH tandem zinc finger in Nab2p contribute to polyadenosine RNA recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23994011 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martinez-Lumbreras Santiago . . 2 Santiveri Clara M. . 3 Mirassou Yasmina . . 4 Zorrilla Silvia . . 5 Perez-Canadillas 'Jose Manuel' . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1800 _Page_last 1811 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'STRUCTURE OF NAB2P TANDEM ZINC FINGER 12' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2' $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 'ZINC ION, 1' $entity_ZN 'ZINC ION, 2' $entity_ZN stop_ _System_molecular_weight 9704.7608 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 _Molecular_mass 9574.0008 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; GSFTPTKKEGRCRLFPHCPL GRSCPHAHPTKVCNEYPNCP KPPGTCEFLHPNEDEELMKE MERTREEFQKRKADLLAAKR KPV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PHE 4 THR 5 PRO 6 THR 7 LYS 8 LYS 9 GLU 10 GLY 11 ARG 12 CYS 13 ARG 14 LEU 15 PHE 16 PRO 17 HIS 18 CYS 19 PRO 20 LEU 21 GLY 22 ARG 23 SER 24 CYS 25 PRO 26 HIS 27 ALA 28 HIS 29 PRO 30 THR 31 LYS 32 VAL 33 CYS 34 ASN 35 GLU 36 TYR 37 PRO 38 ASN 39 CYS 40 PRO 41 LYS 42 PRO 43 PRO 44 GLY 45 THR 46 CYS 47 GLU 48 PHE 49 LEU 50 HIS 51 PRO 52 ASN 53 GLU 54 ASP 55 GLU 56 GLU 57 LEU 58 MET 59 LYS 60 GLU 61 MET 62 GLU 63 ARG 64 THR 65 ARG 66 GLU 67 GLU 68 PHE 69 GLN 70 LYS 71 ARG 72 LYS 73 ALA 74 ASP 75 LEU 76 LEU 77 ALA 78 ALA 79 LYS 80 ARG 81 LYS 82 PRO 83 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 3ZJ1 "Structure Of Nab2p Tandem Zinc Finger 12" 98.80 83 100.00 100.00 6.19e-51 DBJ GAA23273 "K7_Nab2p [Saccharomyces cerevisiae Kyokai no. 7]" 98.80 504 98.78 100.00 3.78e-49 EMBL CAA96830 "NAB2 [Saccharomyces cerevisiae]" 98.80 525 98.78 100.00 5.47e-49 EMBL CAY79645 "Nab2p [Saccharomyces cerevisiae EC1118]" 98.80 497 98.78 100.00 5.18e-49 GB AAA34819 "RNA-binding protein [Saccharomyces cerevisiae]" 98.80 525 98.78 100.00 5.47e-49 GB AAA34820 "RNA-binding protein [Saccharomyces cerevisiae]" 98.80 497 98.78 100.00 5.18e-49 GB AAU09727 "YGL122C [Saccharomyces cerevisiae]" 98.80 525 98.78 100.00 5.47e-49 GB AHY79261 "Nab2p [Saccharomyces cerevisiae YJM993]" 98.80 497 98.78 100.00 5.18e-49 GB AJP38679 "Nab2p [Saccharomyces cerevisiae YJM1078]" 98.80 497 98.78 100.00 5.18e-49 REF NP_011393 "mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" 98.80 525 98.78 100.00 5.47e-49 SP P32505 "RecName: Full=Nuclear polyadenylated RNA-binding protein NAB2" 98.80 525 98.78 100.00 5.47e-49 TPG DAA07987 "TPA: mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" 98.80 525 98.78 100.00 5.47e-49 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _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 $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 '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 _Vector_type _Vector_name $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) n/a pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.300 mmol/l' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 0.300 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.300 mmol/l' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NUCLEAR_POLYADENYLATED_RNA-BINDING_PROTEIN_NAB2 0.300 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version any loop_ _Vendor _Address _Electronic_address 'Case, D.A. et al' . . stop_ loop_ _Task 'data analysis' stop_ _Details 'REFINEMENT PROTOCOL AS DESCRIBED IN THE' save_ save_ANALYSIS _Saveframe_category software _Name ANALYSIS _Version any loop_ _Vendor _Address _Electronic_address Analysis . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection 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_NMRPIPE _Saveframe_category software _Name NMRPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_Bruker_DMX-800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CBCA(CO)HN_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)HN _Sample_label $sample_1 save_ save_H(C)CH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label $sample_1 save_ save_15N_HSQC-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC-NOESY' _Sample_label $sample_1 save_ save_NOESY_and_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOESY and TOCSY' _Sample_label $sample_1 save_ save_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.5], temp [298], pressure [1], ionStrength [25.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25.000 . mM pH 6.500 . 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 H 1 'methyl protons' ppm 0.0 internal indirect . . . 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/3zj1/ebi/Nab2_Z12_CS_curated4_1.dat.csh' loop_ _Experiment_label '1H-15N HSQC' '1H-13C HSQC' HNCO HNCA CBCA(CO)HN H(C)CH-TOCSY '15N HSQC-NOESY' 'NOESY and TOCSY' NOESY stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN NAB2' _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 3.847 . 1 2 1 1 GLY CA C 43.348 . 1 3 2 2 SER HA H 4.491 . 1 4 2 2 SER HB2 H 3.797 . 1 5 2 2 SER C C 174.173 . 1 6 2 2 SER CA C 58.166 0.039 1 7 2 2 SER CB C 63.921 0.009 1 8 3 3 PHE H H 8.437 0.005 1 9 3 3 PHE HA H 4.727 . 1 10 3 3 PHE HB2 H 3.090 0.003 1 11 3 3 PHE C C 175.529 . 1 12 3 3 PHE CA C 57.598 0.012 1 13 3 3 PHE CB C 39.749 0.032 1 14 3 3 PHE N N 121.587 0.019 1 15 4 4 THR H H 8.150 0.005 1 16 4 4 THR HA H 4.541 0.003 1 17 4 4 THR HB H 4.032 . 1 18 4 4 THR HG2 H 1.192 0.004 1 19 4 4 THR CA C 59.209 0.023 1 20 4 4 THR CB C 69.885 . 1 21 4 4 THR CG2 C 21.211 . 1 22 4 4 THR N N 119.566 0.017 1 23 5 5 PRO HA H 4.429 0.003 1 24 5 5 PRO HB2 H 2.341 0.004 2 25 5 5 PRO HB3 H 1.940 0.005 2 26 5 5 PRO HG2 H 2.016 0.003 1 27 5 5 PRO HD2 H 3.691 0.003 1 28 5 5 PRO C C 177.112 . 1 29 5 5 PRO CA C 62.985 . 1 30 5 5 PRO CB C 32.069 . 1 31 5 5 PRO CD C 51.003 . 1 32 6 6 THR H H 8.269 0.005 1 33 6 6 THR HA H 4.245 0.003 1 34 6 6 THR HB H 4.158 0.004 1 35 6 6 THR HG2 H 1.221 0.002 1 36 6 6 THR C C 174.573 . 1 37 6 6 THR CA C 61.986 0.029 1 38 6 6 THR CB C 69.778 0.064 1 39 6 6 THR CG2 C 21.772 . 1 40 6 6 THR N N 114.314 . 1 41 7 7 LYS H H 8.295 0.004 1 42 7 7 LYS HA H 4.353 0.002 1 43 7 7 LYS HB2 H 1.805 0.003 2 44 7 7 LYS HB3 H 1.748 0.002 2 45 7 7 LYS HG2 H 1.384 0.002 1 46 7 7 LYS HD2 H 1.659 0.001 1 47 7 7 LYS HE2 H 2.970 0.001 1 48 7 7 LYS C C 176.327 . 1 49 7 7 LYS CA C 56.089 0.019 1 50 7 7 LYS CB C 33.190 0.006 1 51 7 7 LYS CG C 24.687 0.002 1 52 7 7 LYS CE C 41.880 . 1 53 7 7 LYS N N 123.364 0.02 1 54 8 8 LYS H H 8.427 0.004 1 55 8 8 LYS HA H 4.364 0.003 1 56 8 8 LYS HB2 H 1.563 0.004 2 57 8 8 LYS HB3 H 1.487 . 2 58 8 8 LYS HG2 H 1.314 0.01 1 59 8 8 LYS HD2 H 1.510 . 2 60 8 8 LYS HD3 H 1.453 . 2 61 8 8 LYS HE2 H 2.914 0.002 1 62 8 8 LYS C C 176.079 . 1 63 8 8 LYS CA C 55.363 0.006 1 64 8 8 LYS CB C 33.215 0.06 1 65 8 8 LYS CG C 24.725 0.033 1 66 8 8 LYS CD C 28.662 0.001 1 67 8 8 LYS CE C 42.133 . 1 68 8 8 LYS N N 122.728 0.036 1 69 9 9 GLU H H 8.365 0.007 1 70 9 9 GLU HA H 4.456 0.004 1 71 9 9 GLU HB2 H 2.058 0.006 2 72 9 9 GLU HB3 H 1.918 0.003 2 73 9 9 GLU HG2 H 2.237 0.003 1 74 9 9 GLU C C 177.012 . 1 75 9 9 GLU CA C 56.203 0.06 1 76 9 9 GLU CB C 31.074 . 1 77 9 9 GLU N N 120.955 0.015 1 78 10 10 GLY H H 9.009 0.001 1 79 10 10 GLY HA2 H 4.271 0.005 2 80 10 10 GLY HA3 H 3.901 0.004 2 81 10 10 GLY C C 173.377 . 1 82 10 10 GLY CA C 44.288 0.032 1 83 10 10 GLY N N 110.821 0.02 1 84 11 11 ARG H H 8.171 0.004 1 85 11 11 ARG HA H 4.089 0.007 1 86 11 11 ARG HB2 H 1.576 0.003 1 87 11 11 ARG HG2 H 1.147 0.006 2 88 11 11 ARG HG3 H 1.185 0.005 2 89 11 11 ARG HD2 H 2.918 0.005 1 90 11 11 ARG HE H 7.850 0.003 1 91 11 11 ARG C C 175.994 . 1 92 11 11 ARG CA C 56.492 0.051 1 93 11 11 ARG CB C 31.450 0.027 1 94 11 11 ARG CG C 26.290 0.031 1 95 11 11 ARG CD C 43.796 0.015 1 96 11 11 ARG N N 120.043 0.009 1 97 11 11 ARG NE N 81.039 . 1 98 12 12 CYS H H 9.030 0.003 1 99 12 12 CYS HA H 3.889 0.005 1 100 12 12 CYS HB2 H 3.097 0.002 2 101 12 12 CYS HB3 H 3.020 0.004 2 102 12 12 CYS C C 176.193 . 1 103 12 12 CYS CA C 60.402 0.032 1 104 12 12 CYS CB C 31.506 0.022 1 105 12 12 CYS N N 128.088 0.013 1 106 13 13 ARG H H 9.019 0.005 1 107 13 13 ARG HA H 4.280 0.005 1 108 13 13 ARG HB2 H 1.975 0.006 2 109 13 13 ARG HB3 H 1.833 0.002 2 110 13 13 ARG HG2 H 1.726 0.004 1 111 13 13 ARG HD2 H 3.209 0.003 1 112 13 13 ARG C C 176.724 . 1 113 13 13 ARG CA C 57.365 0.037 1 114 13 13 ARG CB C 30.000 0.004 1 115 13 13 ARG CG C 27.215 0.005 1 116 13 13 ARG CD C 42.861 0.008 1 117 13 13 ARG N N 127.594 0.048 1 118 14 14 LEU H H 8.428 0.002 1 119 14 14 LEU HA H 4.403 0.002 1 120 14 14 LEU HB2 H 1.748 0.003 2 121 14 14 LEU HB3 H 1.567 0.006 2 122 14 14 LEU HG H 1.744 0.001 1 123 14 14 LEU HD1 H 1.078 0.004 2 124 14 14 LEU HD2 H 0.925 0.005 2 125 14 14 LEU C C 178.220 . 1 126 14 14 LEU CA C 55.353 0.015 1 127 14 14 LEU CB C 42.811 0.014 1 128 14 14 LEU CG C 27.622 . 1 129 14 14 LEU CD1 C 25.473 0.013 2 130 14 14 LEU CD2 C 22.765 0.008 2 131 14 14 LEU N N 119.390 0.014 1 132 15 15 PHE H H 8.078 0.004 1 133 15 15 PHE HA H 3.883 0.004 1 134 15 15 PHE HB2 H 2.834 0.003 2 135 15 15 PHE HB3 H 2.763 0.002 2 136 15 15 PHE HD1 H 6.669 0.003 3 137 15 15 PHE HD2 H 6.669 0.003 3 138 15 15 PHE HE1 H 7.377 0.002 3 139 15 15 PHE HE2 H 7.377 0.002 3 140 15 15 PHE HZ H 7.279 0.005 1 141 15 15 PHE CA C 57.141 0.02 1 142 15 15 PHE CB C 39.416 0.02 1 143 15 15 PHE N N 125.096 0.027 1 144 16 16 PRO HA H 3.262 0.006 1 145 16 16 PRO HB2 H 1.719 0.005 2 146 16 16 PRO HB3 H 0.495 0.005 2 147 16 16 PRO HG2 H 1.146 0.008 2 148 16 16 PRO HG3 H 0.715 0.008 2 149 16 16 PRO HD2 H 3.112 0.008 1 150 16 16 PRO C C 174.011 . 1 151 16 16 PRO CA C 63.189 0.015 1 152 16 16 PRO CB C 31.726 0.038 1 153 16 16 PRO CG C 24.027 0.036 1 154 16 16 PRO CD C 48.783 0.016 1 155 17 17 HIS H H 8.847 0.004 1 156 17 17 HIS HA H 4.808 0.006 1 157 17 17 HIS HB2 H 2.951 0.012 2 158 17 17 HIS HB3 H 3.229 0.004 2 159 17 17 HIS HD2 H 7.131 0.003 1 160 17 17 HIS HE1 H 8.239 0.003 1 161 17 17 HIS C C 173.586 . 1 162 17 17 HIS CA C 53.579 0.016 1 163 17 17 HIS CB C 28.132 0.054 1 164 17 17 HIS N N 126.294 0.017 1 165 18 18 CYS H H 7.655 0.004 1 166 18 18 CYS HA H 4.710 0.005 1 167 18 18 CYS HB2 H 2.628 0.006 2 168 18 18 CYS HB3 H 2.984 0.003 2 169 18 18 CYS CA C 55.928 0.019 1 170 18 18 CYS CB C 30.948 0.001 1 171 18 18 CYS N N 121.716 0.043 1 172 19 19 PRO HA H 4.642 0.018 1 173 19 19 PRO HB2 H 2.357 0.006 2 174 19 19 PRO HB3 H 2.117 0.001 2 175 19 19 PRO HG2 H 2.147 0.002 2 176 19 19 PRO HG3 H 1.986 . 2 177 19 19 PRO HD2 H 4.186 0.003 2 178 19 19 PRO HD3 H 4.092 0.003 2 179 19 19 PRO C C 177.544 . 1 180 19 19 PRO CA C 64.028 0.032 1 181 19 19 PRO CB C 32.341 0.003 1 182 19 19 PRO CG C 26.571 0.011 1 183 19 19 PRO CD C 51.761 0.005 1 184 20 20 LEU H H 8.414 0.003 1 185 20 20 LEU HA H 4.336 0.002 1 186 20 20 LEU HB2 H 1.272 0.007 2 187 20 20 LEU HB3 H 1.799 0.004 2 188 20 20 LEU HG H 1.707 0.002 1 189 20 20 LEU HD1 H 1.068 0.004 2 190 20 20 LEU HD2 H 0.860 0.004 2 191 20 20 LEU C C 179.078 . 1 192 20 20 LEU CA C 55.946 0.007 1 193 20 20 LEU CB C 42.184 0.031 1 194 20 20 LEU CG C 27.572 . 1 195 20 20 LEU CD1 C 26.195 0.048 2 196 20 20 LEU CD2 C 22.360 . 2 197 20 20 LEU N N 119.509 0.023 1 198 21 21 GLY H H 7.733 0.004 1 199 21 21 GLY HA2 H 4.025 0.005 1 200 21 21 GLY C C 175.934 . 1 201 21 21 GLY CA C 47.068 0.027 1 202 21 21 GLY N N 107.914 0.018 1 203 22 22 ARG H H 8.972 0.004 1 204 22 22 ARG C C 177.221 . 1 205 22 22 ARG CA C 57.753 0.037 1 206 22 22 ARG CB C 29.630 . 1 207 22 22 ARG N N 123.916 0.019 1 208 23 23 SER H H 7.984 0.004 1 209 23 23 SER HA H 4.459 0.002 1 210 23 23 SER HB2 H 3.992 0.004 2 211 23 23 SER HB3 H 3.938 0.006 2 212 23 23 SER C C 173.331 . 1 213 23 23 SER CA C 58.329 0.005 1 214 23 23 SER CB C 63.286 0.006 1 215 23 23 SER N N 112.560 . 1 216 24 24 CYS H H 7.442 0.003 1 217 24 24 CYS HA H 4.188 0.002 1 218 24 24 CYS HB2 H 2.565 0.004 2 219 24 24 CYS HB3 H 2.897 0.003 2 220 24 24 CYS CA C 58.027 0.012 1 221 24 24 CYS CB C 30.965 0.017 1 222 24 24 CYS N N 126.167 0.018 1 223 25 25 PRO HA H 4.413 0.005 1 224 25 25 PRO HB2 H 2.098 0.005 2 225 25 25 PRO HB3 H 1.524 0.004 2 226 25 25 PRO HG2 H 1.881 0.004 2 227 25 25 PRO HG3 H 1.421 0.003 2 228 25 25 PRO HD2 H 3.689 0.004 2 229 25 25 PRO HD3 H 4.285 0.003 2 230 25 25 PRO C C 176.167 . 1 231 25 25 PRO CA C 63.544 0.011 1 232 25 25 PRO CB C 31.914 0.005 1 233 25 25 PRO CG C 26.156 0.011 1 234 25 25 PRO CD C 51.533 0.021 1 235 26 26 HIS H H 8.611 0.004 1 236 26 26 HIS HA H 4.845 0.007 1 237 26 26 HIS HB2 H 3.154 0.004 2 238 26 26 HIS HB3 H 3.001 0.004 2 239 26 26 HIS HD2 H 7.231 0.002 1 240 26 26 HIS HE1 H 8.092 0.002 1 241 26 26 HIS C C 173.053 . 1 242 26 26 HIS CA C 54.609 0.007 1 243 26 26 HIS CB C 30.959 0.027 1 244 26 26 HIS N N 119.861 0.022 1 245 27 27 ALA H H 8.291 0.003 1 246 27 27 ALA HA H 4.018 0.004 1 247 27 27 ALA HB H 1.198 0.005 1 248 27 27 ALA C C 177.694 . 1 249 27 27 ALA CA C 52.798 0.041 1 250 27 27 ALA CB C 19.856 0.033 1 251 27 27 ALA N N 119.176 0.017 1 252 28 28 HIS H H 8.621 0.004 1 253 28 28 HIS HA H 4.310 0.005 1 254 28 28 HIS HB2 H 2.829 0.005 2 255 28 28 HIS HB3 H 1.815 0.005 2 256 28 28 HIS HD2 H 6.663 0.002 1 257 28 28 HIS HE1 H 8.100 0.004 1 258 28 28 HIS CA C 50.233 0.026 1 259 28 28 HIS CB C 29.090 0.035 1 260 28 28 HIS N N 121.911 0.017 1 261 29 29 PRO HA H 4.303 0.003 1 262 29 29 PRO HB2 H 1.655 0.008 1 263 29 29 PRO HG2 H 1.827 0.005 2 264 29 29 PRO HG3 H 1.384 0.004 2 265 29 29 PRO HD2 H 3.273 0.003 2 266 29 29 PRO HD3 H 2.822 0.003 2 267 29 29 PRO C C 174.876 . 1 268 29 29 PRO CA C 62.922 0.022 1 269 29 29 PRO CB C 31.485 0.028 1 270 29 29 PRO CG C 27.144 0.059 1 271 29 29 PRO CD C 50.148 0.014 1 272 30 30 THR H H 8.531 0.006 1 273 30 30 THR HA H 4.517 0.003 1 274 30 30 THR HB H 4.459 0.003 1 275 30 30 THR HG2 H 1.248 0.003 1 276 30 30 THR C C 174.611 . 1 277 30 30 THR CA C 61.354 0.028 1 278 30 30 THR CB C 70.987 0.018 1 279 30 30 THR CG2 C 21.916 . 1 280 30 30 THR N N 108.847 . 1 281 31 31 LYS H H 7.903 0.004 1 282 31 31 LYS HA H 4.843 0.003 1 283 31 31 LYS HB2 H 1.974 0.002 2 284 31 31 LYS HB3 H 1.913 0.019 2 285 31 31 LYS HG2 H 1.494 0.005 2 286 31 31 LYS HG3 H 1.572 0.002 2 287 31 31 LYS HD2 H 1.722 0.003 1 288 31 31 LYS HE2 H 2.973 0.001 1 289 31 31 LYS C C 175.628 . 1 290 31 31 LYS CA C 54.157 0.016 1 291 31 31 LYS CB C 35.752 0.023 1 292 31 31 LYS CG C 24.409 0.019 1 293 31 31 LYS CD C 29.107 0.001 1 294 31 31 LYS CE C 41.998 . 1 295 31 31 LYS N N 120.524 0.008 1 296 32 32 VAL H H 8.753 0.004 1 297 32 32 VAL HA H 4.003 0.004 1 298 32 32 VAL HB H 1.908 0.005 1 299 32 32 VAL HG1 H 0.929 0.002 2 300 32 32 VAL HG2 H 0.923 0.002 2 301 32 32 VAL C C 175.113 . 1 302 32 32 VAL CA C 63.778 0.043 1 303 32 32 VAL CB C 31.922 0.03 1 304 32 32 VAL CG1 C 22.700 0.008 2 305 32 32 VAL CG2 C 20.733 0.024 2 306 32 32 VAL N N 122.436 0.021 1 307 33 33 CYS H H 9.204 0.003 1 308 33 33 CYS HA H 3.568 0.003 1 309 33 33 CYS HB2 H 3.252 0.004 1 310 33 33 CYS C C 175.810 . 1 311 33 33 CYS CA C 61.112 0.035 1 312 33 33 CYS CB C 32.135 0.035 1 313 33 33 CYS N N 130.300 0.022 1 314 34 34 ASN H H 8.628 0.003 1 315 34 34 ASN HA H 4.484 0.003 1 316 34 34 ASN HB2 H 2.735 0.004 1 317 34 34 ASN HD21 H 7.609 0.002 1 318 34 34 ASN HD22 H 6.872 0.003 1 319 34 34 ASN C C 175.686 . 1 320 34 34 ASN CA C 55.744 0.006 1 321 34 34 ASN CB C 38.544 0.007 1 322 34 34 ASN N N 126.738 0.031 1 323 34 34 ASN ND2 N 112.629 0.006 1 324 35 35 GLU H H 8.398 0.003 1 325 35 35 GLU HA H 4.334 0.003 1 326 35 35 GLU HB2 H 2.018 0.01 2 327 35 35 GLU HB3 H 1.955 0.004 2 328 35 35 GLU HG2 H 2.330 0.005 1 329 35 35 GLU C C 177.137 . 1 330 35 35 GLU CA C 57.271 0.044 1 331 35 35 GLU CB C 30.357 0.025 1 332 35 35 GLU CG C 37.479 0.03 1 333 35 35 GLU N N 117.324 0.027 1 334 36 36 TYR H H 7.682 0.004 1 335 36 36 TYR HA H 4.062 0.005 1 336 36 36 TYR HB2 H 3.114 0.004 2 337 36 36 TYR HB3 H 2.893 0.002 2 338 36 36 TYR HD1 H 6.818 0.002 3 339 36 36 TYR HD2 H 6.818 0.002 3 340 36 36 TYR HE1 H 6.969 0.002 3 341 36 36 TYR HE2 H 6.969 0.002 3 342 36 36 TYR CA C 57.131 0.012 1 343 36 36 TYR CB C 39.221 0.016 1 344 36 36 TYR N N 124.425 0.021 1 345 37 37 PRO HA H 3.411 0.005 1 346 37 37 PRO HB2 H 0.886 0.008 2 347 37 37 PRO HB3 H 2.010 0.004 2 348 37 37 PRO HG2 H 1.685 0.004 2 349 37 37 PRO HG3 H 1.333 0.006 2 350 37 37 PRO HD2 H 3.251 0.004 2 351 37 37 PRO HD3 H 3.288 0.001 2 352 37 37 PRO C C 174.653 . 1 353 37 37 PRO CA C 63.742 0.014 1 354 37 37 PRO CB C 32.062 0.062 1 355 37 37 PRO CG C 23.938 0.008 1 356 37 37 PRO CD C 49.747 . 1 357 38 38 ASN H H 9.012 0.003 1 358 38 38 ASN HA H 4.955 0.004 1 359 38 38 ASN HB2 H 2.897 0.002 2 360 38 38 ASN HB3 H 2.507 0.003 2 361 38 38 ASN HD21 H 7.692 0.003 1 362 38 38 ASN HD22 H 6.883 0.003 1 363 38 38 ASN C C 173.986 . 1 364 38 38 ASN CA C 52.198 0.038 1 365 38 38 ASN CB C 39.079 0.011 1 366 38 38 ASN N N 124.807 0.015 1 367 38 38 ASN ND2 N 113.201 0.001 1 368 39 39 CYS H H 7.402 0.004 1 369 39 39 CYS HA H 4.519 0.002 1 370 39 39 CYS HB2 H 2.832 0.002 2 371 39 39 CYS HB3 H 2.759 0.003 2 372 39 39 CYS CA C 56.190 0.044 1 373 39 39 CYS CB C 31.425 0.002 1 374 39 39 CYS N N 123.162 0.021 1 375 40 40 PRO HA H 4.623 0.004 1 376 40 40 PRO HB2 H 2.207 0.003 2 377 40 40 PRO HB3 H 2.154 . 2 378 40 40 PRO HG2 H 2.142 0.01 2 379 40 40 PRO HG3 H 1.892 0.004 2 380 40 40 PRO HD2 H 4.296 0.002 2 381 40 40 PRO HD3 H 3.838 0.006 2 382 40 40 PRO C C 177.154 . 1 383 40 40 PRO CA C 63.437 0.01 1 384 40 40 PRO CB C 31.956 0.012 1 385 40 40 PRO CG C 26.607 0.015 1 386 40 40 PRO CD C 51.423 0.017 1 387 41 41 LYS H H 8.505 0.003 1 388 41 41 LYS HA H 4.467 0.006 1 389 41 41 LYS HB2 H 2.134 0.005 2 390 41 41 LYS HB3 H 1.854 0.007 2 391 41 41 LYS HG2 H 1.492 0.005 2 392 41 41 LYS HG3 H 1.665 0.005 2 393 41 41 LYS HD2 H 1.758 0.002 2 394 41 41 LYS HD3 H 1.890 0.003 2 395 41 41 LYS HE2 H 3.137 0.005 2 396 41 41 LYS HE3 H 3.144 0.001 2 397 41 41 LYS CA C 55.291 0.016 1 398 41 41 LYS CB C 31.073 0.008 1 399 41 41 LYS CG C 26.690 0.023 1 400 41 41 LYS CD C 29.481 0.013 1 401 41 41 LYS CE C 42.557 0.055 1 402 41 41 LYS N N 124.574 0.023 1 403 42 42 PRO HA H 4.784 0.004 1 404 42 42 PRO HB2 H 2.468 0.005 2 405 42 42 PRO HB3 H 1.976 0.002 2 406 42 42 PRO HG2 H 2.108 0.01 2 407 42 42 PRO HG3 H 2.052 0.004 2 408 42 42 PRO HD2 H 3.992 0.003 2 409 42 42 PRO HD3 H 3.690 0.015 2 410 42 42 PRO CA C 61.500 0.012 1 411 42 42 PRO CB C 30.501 0.011 1 412 42 42 PRO CG C 27.300 0.047 1 413 42 42 PRO CD C 50.739 0.01 1 414 43 43 PRO HA H 4.463 0.004 1 415 43 43 PRO HB2 H 2.310 0.008 2 416 43 43 PRO HB3 H 1.955 0.004 2 417 43 43 PRO HG2 H 2.205 0.004 2 418 43 43 PRO HG3 H 2.115 0.001 2 419 43 43 PRO HD2 H 3.989 0.005 2 420 43 43 PRO HD3 H 3.659 0.001 2 421 43 43 PRO C C 177.579 . 1 422 43 43 PRO CA C 64.122 0.029 1 423 43 43 PRO CB C 31.866 0.016 1 424 43 43 PRO CG C 27.519 0.022 1 425 43 43 PRO CD C 50.733 0.018 1 426 44 44 GLY H H 9.491 0.003 1 427 44 44 GLY HA2 H 3.742 0.007 2 428 44 44 GLY HA3 H 4.213 0.007 2 429 44 44 GLY C C 174.842 . 1 430 44 44 GLY CA C 45.338 0.006 1 431 44 44 GLY N N 110.896 . 1 432 45 45 THR H H 7.981 0.004 1 433 45 45 THR HA H 4.717 0.004 1 434 45 45 THR HB H 4.197 0.004 1 435 45 45 THR HG1 H 5.263 0.003 1 436 45 45 THR HG2 H 1.069 0.002 1 437 45 45 THR C C 174.695 . 1 438 45 45 THR CA C 62.502 0.026 1 439 45 45 THR CB C 71.865 0.019 1 440 45 45 THR CG2 C 20.856 . 1 441 45 45 THR N N 106.734 . 1 442 46 46 CYS H H 9.131 0.002 1 443 46 46 CYS HA H 3.890 0.005 1 444 46 46 CYS HB2 H 2.625 0.004 2 445 46 46 CYS HB3 H 2.627 0.001 2 446 46 46 CYS C C 174.975 . 1 447 46 46 CYS CA C 61.898 0.068 1 448 46 46 CYS CB C 28.605 0.023 1 449 46 46 CYS N N 127.634 0.03 1 450 47 47 GLU H H 8.894 0.004 1 451 47 47 GLU HA H 3.477 0.005 1 452 47 47 GLU HB2 H 1.714 0.004 2 453 47 47 GLU HB3 H 1.457 0.005 2 454 47 47 GLU HG2 H 2.072 0.008 2 455 47 47 GLU HG3 H 1.706 0.004 2 456 47 47 GLU C C 173.486 . 1 457 47 47 GLU CA C 59.219 0.025 1 458 47 47 GLU CB C 28.230 0.026 1 459 47 47 GLU CG C 36.935 0.018 1 460 47 47 GLU N N 125.827 0.028 1 461 48 48 PHE H H 8.928 0.003 1 462 48 48 PHE HA H 4.734 0.003 1 463 48 48 PHE HB2 H 3.507 0.003 2 464 48 48 PHE HB3 H 3.073 0.006 2 465 48 48 PHE HD1 H 7.481 0.003 3 466 48 48 PHE HD2 H 7.481 0.003 3 467 48 48 PHE HE1 H 7.418 0.002 3 468 48 48 PHE HE2 H 7.418 0.002 3 469 48 48 PHE C C 173.376 . 1 470 48 48 PHE CA C 56.033 0.018 1 471 48 48 PHE CB C 40.898 0.089 1 472 48 48 PHE N N 119.757 0.023 1 473 49 49 LEU H H 8.757 0.003 1 474 49 49 LEU HA H 4.248 0.005 1 475 49 49 LEU HB2 H 1.193 0.004 2 476 49 49 LEU HB3 H 1.491 0.003 2 477 49 49 LEU HG H 1.289 0.006 1 478 49 49 LEU HD1 H 0.754 0.002 2 479 49 49 LEU HD2 H 0.667 0.002 2 480 49 49 LEU C C 178.344 . 1 481 49 49 LEU CA C 54.605 0.045 1 482 49 49 LEU CB C 44.407 0.042 1 483 49 49 LEU CG C 27.112 0.031 1 484 49 49 LEU CD1 C 23.256 . 2 485 49 49 LEU CD2 C 25.521 . 2 486 49 49 LEU N N 114.329 . 1 487 50 50 HIS H H 10.160 0.004 1 488 50 50 HIS HA H 4.789 0.004 1 489 50 50 HIS HB2 H 2.788 0.006 2 490 50 50 HIS HB3 H 3.365 0.007 2 491 50 50 HIS HD1 H 12.250 0.003 1 492 50 50 HIS HD2 H 6.872 0.002 1 493 50 50 HIS HE1 H 8.252 0.002 1 494 50 50 HIS CA C 50.347 0.014 1 495 50 50 HIS CB C 30.221 0.003 1 496 50 50 HIS N N 120.645 0.026 1 497 51 51 PRO HA H 4.024 0.007 1 498 51 51 PRO HB2 H 2.280 0.002 2 499 51 51 PRO HB3 H 1.825 0.005 2 500 51 51 PRO HG2 H 1.938 0.002 2 501 51 51 PRO HG3 H 1.627 0.009 2 502 51 51 PRO HD2 H 3.333 0.002 2 503 51 51 PRO HD3 H 2.012 0.002 2 504 51 51 PRO C C 175.849 . 1 505 51 51 PRO CA C 66.490 0.024 1 506 51 51 PRO CB C 31.931 0.004 1 507 51 51 PRO CG C 27.184 0.003 1 508 51 51 PRO CD C 49.366 0.014 1 509 52 52 ASN H H 8.056 0.007 1 510 52 52 ASN HA H 4.545 0.014 1 511 52 52 ASN HB2 H 3.231 0.002 2 512 52 52 ASN HB3 H 2.993 0.005 2 513 52 52 ASN HD21 H 7.683 0.003 1 514 52 52 ASN HD22 H 7.063 0.003 1 515 52 52 ASN C C 176.891 . 1 516 52 52 ASN CA C 55.920 0.026 1 517 52 52 ASN CB C 37.223 0.038 1 518 52 52 ASN N N 111.065 . 1 519 52 52 ASN ND2 N 111.540 0.002 1 520 53 53 GLU H H 8.071 0.006 1 521 53 53 GLU HA H 4.467 0.005 1 522 53 53 GLU HB2 H 2.226 0.005 2 523 53 53 GLU HB3 H 2.136 0.004 2 524 53 53 GLU HG2 H 2.530 0.005 1 525 53 53 GLU C C 177.828 . 1 526 53 53 GLU CA C 57.156 0.037 1 527 53 53 GLU CB C 32.160 0.013 1 528 53 53 GLU CG C 35.601 0.005 1 529 53 53 GLU N N 119.242 0.021 1 530 54 54 ASP H H 8.081 0.003 1 531 54 54 ASP HA H 5.259 0.006 1 532 54 54 ASP HB2 H 3.082 0.006 2 533 54 54 ASP HB3 H 2.375 0.003 2 534 54 54 ASP C C 176.168 . 1 535 54 54 ASP CA C 53.975 0.026 1 536 54 54 ASP CB C 41.555 0.008 1 537 54 54 ASP N N 115.820 . 1 538 55 55 GLU H H 7.791 0.005 1 539 55 55 GLU HA H 4.011 0.004 1 540 55 55 GLU HB2 H 2.241 0.003 2 541 55 55 GLU HB3 H 2.070 0.004 2 542 55 55 GLU HG2 H 2.404 0.007 2 543 55 55 GLU HG3 H 2.235 . 2 544 55 55 GLU C C 178.920 . 1 545 55 55 GLU CA C 60.867 0.037 1 546 55 55 GLU CB C 29.930 0.009 1 547 55 55 GLU CG C 36.187 0.013 1 548 55 55 GLU N N 120.872 0.018 1 549 56 56 GLU H H 8.848 0.003 1 550 56 56 GLU HA H 4.088 0.003 1 551 56 56 GLU HB2 H 2.061 0.004 1 552 56 56 GLU HG2 H 2.393 0.003 2 553 56 56 GLU HG3 H 2.335 0.004 2 554 56 56 GLU C C 179.383 . 1 555 56 56 GLU CA C 59.507 0.017 1 556 56 56 GLU CB C 28.545 0.05 1 557 56 56 GLU CG C 36.190 0.016 1 558 56 56 GLU N N 117.047 0.046 1 559 57 57 LEU H H 7.730 0.004 1 560 57 57 LEU HA H 4.194 0.001 1 561 57 57 LEU HB2 H 1.790 0.005 2 562 57 57 LEU HB3 H 1.715 0.005 2 563 57 57 LEU HG H 1.592 0.005 1 564 57 57 LEU HD1 H 0.938 0.004 2 565 57 57 LEU HD2 H 0.868 0.007 2 566 57 57 LEU C C 179.100 . 1 567 57 57 LEU CA C 57.791 0.04 1 568 57 57 LEU CB C 41.537 0.007 1 569 57 57 LEU CG C 27.307 0.01 1 570 57 57 LEU CD1 C 24.125 0.009 2 571 57 57 LEU CD2 C 25.592 0.019 2 572 57 57 LEU N N 122.039 0.031 1 573 58 58 MET H H 8.542 0.002 1 574 58 58 MET HA H 4.135 0.003 1 575 58 58 MET HB2 H 2.242 0.004 2 576 58 58 MET HB3 H 2.117 0.008 2 577 58 58 MET HG2 H 2.629 0.004 2 578 58 58 MET HG3 H 2.405 0.005 2 579 58 58 MET HE H 2.024 0.007 1 580 58 58 MET C C 179.484 . 1 581 58 58 MET CA C 59.232 0.012 1 582 58 58 MET CB C 32.592 0.023 1 583 58 58 MET CG C 32.825 . 1 584 58 58 MET CE C 16.245 . 1 585 58 58 MET N N 117.033 0.02 1 586 59 59 LYS H H 8.191 0.003 1 587 59 59 LYS HA H 4.116 0.002 1 588 59 59 LYS HB2 H 2.008 0.003 2 589 59 59 LYS HB3 H 1.907 0.001 2 590 59 59 LYS HG2 H 1.701 0.002 2 591 59 59 LYS HG3 H 1.486 0.005 2 592 59 59 LYS HD2 H 1.703 0.001 1 593 59 59 LYS HE2 H 2.957 0.001 1 594 59 59 LYS C C 179.662 . 1 595 59 59 LYS CA C 59.475 0.018 1 596 59 59 LYS CB C 32.116 0.008 1 597 59 59 LYS CG C 25.310 0.042 1 598 59 59 LYS CD C 29.160 0.006 1 599 59 59 LYS CE C 41.943 . 1 600 59 59 LYS N N 119.633 0.015 1 601 60 60 GLU H H 8.031 0.003 1 602 60 60 GLU HA H 4.257 0.003 1 603 60 60 GLU HB2 H 2.173 . 2 604 60 60 GLU HB3 H 2.013 0.002 2 605 60 60 GLU HG2 H 2.417 0.007 2 606 60 60 GLU HG3 H 2.125 0.012 2 607 60 60 GLU C C 179.889 . 1 608 60 60 GLU CA C 58.434 0.02 1 609 60 60 GLU CB C 28.637 0.015 1 610 60 60 GLU CG C 34.678 0.039 1 611 60 60 GLU N N 120.635 0.016 1 612 61 61 MET H H 8.600 0.005 1 613 61 61 MET HA H 3.773 0.007 1 614 61 61 MET HB2 H 2.179 0.001 1 615 61 61 MET HG2 H 2.500 0.007 2 616 61 61 MET HG3 H 2.212 0.007 2 617 61 61 MET HE H 2.182 0.003 1 618 61 61 MET C C 178.644 . 1 619 61 61 MET CA C 59.284 0.019 1 620 61 61 MET CB C 33.511 0.056 1 621 61 61 MET CG C 31.746 0.021 1 622 61 61 MET CE C 16.809 . 1 623 61 61 MET N N 119.856 0.034 1 624 62 62 GLU H H 7.915 0.005 1 625 62 62 GLU HA H 4.180 0.003 1 626 62 62 GLU HB2 H 2.180 0.004 1 627 62 62 GLU HG2 H 2.343 0.007 2 628 62 62 GLU HG3 H 2.434 0.008 2 629 62 62 GLU C C 178.738 . 1 630 62 62 GLU CA C 58.935 0.033 1 631 62 62 GLU CB C 29.352 . 1 632 62 62 GLU CG C 36.048 0.008 1 633 62 62 GLU N N 118.998 0.024 1 634 63 63 ARG H H 8.040 0.003 1 635 63 63 ARG HA H 4.164 0.003 1 636 63 63 ARG HB2 H 2.051 0.001 2 637 63 63 ARG HB3 H 1.966 0.002 2 638 63 63 ARG HG2 H 1.796 . 2 639 63 63 ARG HG3 H 1.732 0.001 2 640 63 63 ARG HD2 H 3.255 0.011 2 641 63 63 ARG HD3 H 3.225 0.006 2 642 63 63 ARG HE H 7.521 0.002 1 643 63 63 ARG C C 178.988 . 1 644 63 63 ARG CA C 58.917 0.063 1 645 63 63 ARG CB C 30.409 0.007 1 646 63 63 ARG CG C 27.183 0.007 1 647 63 63 ARG CD C 43.161 0.001 1 648 63 63 ARG N N 118.688 0.031 1 649 63 63 ARG NE N 83.202 . 1 650 64 64 THR H H 7.993 0.003 1 651 64 64 THR HA H 4.148 0.003 1 652 64 64 THR HB H 4.211 0.004 1 653 64 64 THR HG2 H 1.145 0.003 1 654 64 64 THR C C 175.944 . 1 655 64 64 THR CA C 64.483 0.039 1 656 64 64 THR CB C 69.121 0.042 1 657 64 64 THR CG2 C 21.578 . 1 658 64 64 THR N N 111.795 0.05 1 659 65 65 ARG H H 7.874 0.003 1 660 65 65 ARG HA H 4.199 0.003 1 661 65 65 ARG HB2 H 1.996 0.003 1 662 65 65 ARG HG2 H 1.771 0.005 2 663 65 65 ARG HG3 H 1.648 0.002 2 664 65 65 ARG HD2 H 3.268 0.007 2 665 65 65 ARG HD3 H 3.230 0.004 2 666 65 65 ARG C C 178.125 . 1 667 65 65 ARG CA C 58.450 . 1 668 65 65 ARG CB C 29.950 . 1 669 65 65 ARG CG C 27.197 0.011 1 670 65 65 ARG CD C 43.240 0.006 1 671 65 65 ARG N N 121.442 0.043 1 672 66 66 GLU H H 8.341 0.003 1 673 66 66 GLU HA H 4.155 0.007 1 674 66 66 GLU HB2 H 2.065 0.002 1 675 66 66 GLU HG2 H 2.348 0.002 2 676 66 66 GLU HG3 H 2.274 0.002 2 677 66 66 GLU C C 178.415 . 1 678 66 66 GLU CA C 58.461 0.005 1 679 66 66 GLU CB C 29.625 0.006 1 680 66 66 GLU CG C 36.175 0.013 1 681 66 66 GLU N N 119.614 0.029 1 682 67 67 GLU H H 8.356 0.009 1 683 67 67 GLU HA H 4.145 0.005 1 684 67 67 GLU HG2 H 2.318 0.003 1 685 67 67 GLU C C 178.145 . 1 686 67 67 GLU CA C 58.442 0.009 1 687 67 67 GLU CB C 29.473 . 1 688 67 67 GLU CG C 36.158 0.005 1 689 67 67 GLU N N 119.719 0.037 1 690 68 68 PHE H H 8.088 0.003 1 691 68 68 PHE HA H 4.495 0.004 1 692 68 68 PHE HB2 H 3.262 0.006 2 693 68 68 PHE HB3 H 3.214 0.002 2 694 68 68 PHE HD1 H 7.290 0.007 3 695 68 68 PHE HD2 H 7.290 0.007 3 696 68 68 PHE HE1 H 7.347 0.002 3 697 68 68 PHE HE2 H 7.347 0.002 3 698 68 68 PHE C C 177.254 . 1 699 68 68 PHE CA C 59.525 0.049 1 700 68 68 PHE CB C 39.101 0.049 1 701 68 68 PHE N N 118.635 0.027 1 702 69 69 GLN H H 8.210 0.003 1 703 69 69 GLN HA H 4.144 0.009 1 704 69 69 GLN HB2 H 2.174 0.003 1 705 69 69 GLN HG2 H 2.514 0.003 2 706 69 69 GLN HG3 H 2.479 0.007 2 707 69 69 GLN HE21 H 7.558 0.003 1 708 69 69 GLN HE22 H 6.965 0.002 1 709 69 69 GLN C C 177.426 . 1 710 69 69 GLN CA C 57.254 0.019 1 711 69 69 GLN CB C 28.713 0.014 1 712 69 69 GLN CG C 33.854 0.037 1 713 69 69 GLN N N 118.195 0.026 1 714 69 69 GLN NE2 N 110.956 0.006 1 715 70 70 LYS H H 8.088 0.004 1 716 70 70 LYS HA H 4.190 0.002 1 717 70 70 LYS HB2 H 1.893 0.001 2 718 70 70 LYS HB3 H 1.839 0.001 2 719 70 70 LYS HG2 H 1.530 0.006 2 720 70 70 LYS HG3 H 1.466 0.001 2 721 70 70 LYS HD2 H 1.692 . 1 722 70 70 LYS HE2 H 3.232 . 1 723 70 70 LYS C C 177.603 . 1 724 70 70 LYS CA C 57.691 0.023 1 725 70 70 LYS CB C 32.616 0.014 1 726 70 70 LYS CG C 25.074 0.006 1 727 70 70 LYS CE C 43.313 . 1 728 70 70 LYS N N 119.919 0.019 1 729 71 71 ARG H H 8.007 0.005 1 730 71 71 ARG HA H 4.256 0.007 1 731 71 71 ARG HB2 H 1.852 0.006 1 732 71 71 ARG HG2 H 1.619 0.001 2 733 71 71 ARG HG3 H 1.740 . 2 734 71 71 ARG HD2 H 3.204 0.006 1 735 71 71 ARG C C 177.510 . 1 736 71 71 ARG CA C 57.060 0.012 1 737 71 71 ARG CB C 30.438 0.018 1 738 71 71 ARG CG C 26.993 0.006 1 739 71 71 ARG CD C 43.263 0.008 1 740 71 71 ARG N N 118.811 0.028 1 741 72 72 LYS H H 8.104 0.009 1 742 72 72 LYS HA H 4.111 0.002 1 743 72 72 LYS HB2 H 1.818 0.002 2 744 72 72 LYS HB3 H 1.745 0.001 2 745 72 72 LYS HG2 H 1.441 0.002 2 746 72 72 LYS HG3 H 1.383 0.001 2 747 72 72 LYS HD2 H 1.689 . 1 748 72 72 LYS HE2 H 2.982 0.004 1 749 72 72 LYS C C 177.457 . 1 750 72 72 LYS CA C 57.534 0.013 1 751 72 72 LYS CB C 32.441 0.01 1 752 72 72 LYS CG C 24.621 0.01 1 753 72 72 LYS CD C 29.355 0.011 1 754 72 72 LYS CE C 41.957 . 1 755 72 72 LYS N N 120.410 0.015 1 756 73 73 ALA H H 8.150 0.008 1 757 73 73 ALA HA H 4.218 0.007 1 758 73 73 ALA HB H 1.440 0.006 1 759 73 73 ALA C C 178.857 . 1 760 73 73 ALA CA C 53.421 0.06 1 761 73 73 ALA CB C 18.686 0.03 1 762 73 73 ALA N N 122.568 0.027 1 763 74 74 ASP H H 8.262 0.004 1 764 74 74 ASP HA H 4.534 0.005 1 765 74 74 ASP HB2 H 2.706 0.004 2 766 74 74 ASP HB3 H 2.677 0.001 2 767 74 74 ASP C C 177.587 . 1 768 74 74 ASP CA C 55.164 0.027 1 769 74 74 ASP CB C 40.703 0.041 1 770 74 74 ASP N N 118.608 0.033 1 771 75 75 LEU H H 8.049 0.007 1 772 75 75 LEU HA H 4.244 0.002 1 773 75 75 LEU HB2 H 1.726 . 2 774 75 75 LEU HB3 H 1.619 . 2 775 75 75 LEU HG H 1.699 . 1 776 75 75 LEU HD1 H 0.939 0.006 2 777 75 75 LEU HD2 H 0.891 0.003 2 778 75 75 LEU C C 178.531 . 1 779 75 75 LEU CA C 56.237 0.01 1 780 75 75 LEU CB C 41.952 . 1 781 75 75 LEU CG C 26.796 . 1 782 75 75 LEU CD1 C 24.846 0.037 2 783 75 75 LEU CD2 C 23.214 0.033 2 784 75 75 LEU N N 121.007 0.006 1 785 76 76 LEU H H 8.019 0.006 1 786 76 76 LEU HA H 4.279 0.003 1 787 76 76 LEU HB2 H 1.732 . 2 788 76 76 LEU HB3 H 1.618 . 2 789 76 76 LEU HG H 1.706 . 1 790 76 76 LEU HD1 H 0.942 0.002 2 791 76 76 LEU HD2 H 0.888 0.008 2 792 76 76 LEU C C 177.935 . 1 793 76 76 LEU CA C 55.610 0.01 1 794 76 76 LEU CB C 41.864 . 1 795 76 76 LEU CG C 26.779 . 1 796 76 76 LEU CD1 C 24.744 0.002 2 797 76 76 LEU CD2 C 23.125 0.007 2 798 76 76 LEU N N 119.983 0.011 1 799 77 77 ALA H H 7.902 0.005 1 800 77 77 ALA HA H 4.275 0.016 1 801 77 77 ALA HB H 1.430 0.008 1 802 77 77 ALA C C 177.779 . 1 803 77 77 ALA CA C 52.643 0.003 1 804 77 77 ALA CB C 18.871 0.007 1 805 77 77 ALA N N 122.294 0.013 1 806 78 78 ALA H H 7.962 0.006 1 807 78 78 ALA HA H 4.286 0.013 1 808 78 78 ALA HB H 1.430 0.005 1 809 78 78 ALA C C 177.803 . 1 810 78 78 ALA CA C 52.410 0.015 1 811 78 78 ALA CB C 19.016 0.003 1 812 78 78 ALA N N 121.292 0.012 1 813 79 79 LYS H H 8.129 0.006 1 814 79 79 LYS HA H 4.319 0.002 1 815 79 79 LYS HB2 H 1.890 0.001 2 816 79 79 LYS HB3 H 1.788 0.002 2 817 79 79 LYS HG2 H 1.493 0.003 2 818 79 79 LYS HG3 H 1.463 0.001 2 819 79 79 LYS HD2 H 1.697 0.004 1 820 79 79 LYS HE2 H 3.016 0.003 1 821 79 79 LYS C C 175.865 . 1 822 79 79 LYS CA C 56.244 0.007 1 823 79 79 LYS CB C 32.721 0.004 1 824 79 79 LYS CG C 24.575 0.02 1 825 79 79 LYS CD C 28.950 0.01 1 826 79 79 LYS CE C 41.949 . 1 827 79 79 LYS N N 119.995 0.021 1 828 80 80 ARG H H 7.968 0.005 1 829 80 80 ARG HA H 4.205 . 1 830 80 80 ARG CA C 57.349 . 1 831 80 80 ARG N N 127.149 0.016 1 stop_ save_