data_4570 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Study of Sso7d Mutant (F31A) Minimized Average Structure ; _BMRB_accession_number 4570 _BMRB_flat_file_name bmr4570.str _Entry_type original _Submission_date 2000-01-10 _Accession_date 2000-01-10 _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 CONSONNI R. . . 2 SANTOMO L. . . 3 ZETTA L. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 259 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-21 update BMRB 'Addition of relation loop' 2001-01-14 original author 'Original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 5909 'Sso7d monomer' 5910 'Sso7d V30I mutant' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Single-Point Mutation in the Extreme Heat- and Pressure-Resistant Sso7d From Sulfolobus Solfataricus Leads to a Major Rearrangement of the Hydrophobic Core ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99435745 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Consonni R. . . 2 Santomo L. . . 3 Fusi P. . . 4 Tortora P. . . 5 Zetta L. . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 38 _Journal_issue 39 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12709 _Page_last 12717 _Year 1999 _Details . loop_ _Keyword 'RNASE and DNA-Binding Protein' 'Thermostable Ribonuclease' 3D-Structure NMR 'Sulfolobus Solfataricus' stop_ save_ ################################## # Molecular system description # ################################## save_Sso7d _Saveframe_category molecular_system _Mol_system_name SSO7D _Abbreviation_common Sso7d _Enzyme_commission_number 3.1.27.- loop_ _Mol_system_component_name _Mol_label 'Sso7d, F31A mutant' $Sso7d-F31A_mutant stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function dna-binding rnase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sso7d-F31A_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SSO7D _Name_variant F31A _Abbreviation_common 'Sso7d-F31A mutant' _Molecular_mass 6958 _Mol_thiol_state 'not present' _Details 'DNA binding protein endowed with ribonucleolityc activity' ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; ATVKFKYKGEEKQVDISKIK KVWRVGKMISATYDEGGGKT GRGAVSEKDAPKELLQMLEK QK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 VAL 4 LYS 5 PHE 6 LYS 7 TYR 8 LYS 9 GLY 10 GLU 11 GLU 12 LYS 13 GLN 14 VAL 15 ASP 16 ILE 17 SER 18 LYS 19 ILE 20 LYS 21 LYS 22 VAL 23 TRP 24 ARG 25 VAL 26 GLY 27 LYS 28 MET 29 ILE 30 SER 31 ALA 32 THR 33 TYR 34 ASP 35 GLU 36 GLY 37 GLY 38 GLY 39 LYS 40 THR 41 GLY 42 ARG 43 GLY 44 ALA 45 VAL 46 SER 47 GLU 48 LYS 49 ASP 50 ALA 51 PRO 52 LYS 53 GLU 54 LEU 55 LEU 56 GLN 57 MET 58 LEU 59 GLU 60 LYS 61 GLN 62 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1B4O "Nmr Study Of Sso7d Mutant (F31a) Minimized Average Structure" 100.00 62 100.00 100.00 4.74e-34 PDB 1BBX "Non-Specific Protein-Dna Interactions In The Sso7d-Dna Complex, Nmr, 1 Structure" 100.00 63 98.39 98.39 3.86e-33 PDB 1JIC "Solution Nmr Structure Of Recombinant Sso7d With Rnase Activity, Minimized Average Structure" 100.00 62 98.39 98.39 4.39e-33 PDB 1SSO "Solution Structure And Dna-Binding Properties Of A Thermostable Protein From The Archaeon Sulfolobus Solfataricus" 100.00 62 98.39 98.39 4.39e-33 DBJ BAA28274 "Ssh7a [Sulfolobus shibatae]" 100.00 64 98.39 98.39 4.41e-33 GB AAB25172 "ribonuclease p2 [Sulfolobus solfataricus, MT-4, ATCC 49155, Peptide, 62 aa]" 100.00 62 98.39 98.39 4.39e-33 GB AAK42090 "7 KD DNA-binding protein (SSO7D) (SSH7A) (ssh7A /Sso7d-2) [Sulfolobus solfataricus P2]" 100.00 64 98.39 98.39 4.41e-33 GB AAK42212 "7 KD DNA-binding protein (SSO7D) (SSH7A) (ssh7A /Sso7d-3) [Sulfolobus solfataricus P2]" 100.00 64 98.39 98.39 4.41e-33 GB ACP37540 "DNA-binding 7 kDa protein [Sulfolobus islandicus M.14.25]" 100.00 64 98.39 98.39 4.41e-33 GB ACP45250 "DNA-binding 7 kDa protein [Sulfolobus islandicus Y.G.57.14]" 100.00 64 98.39 98.39 4.41e-33 PRF 1908252A ribonuclease 100.00 62 98.39 98.39 4.39e-33 REF WP_009992021 "MULTISPECIES: DNA-binding protein [Sulfolobus]" 100.00 64 98.39 98.39 4.41e-33 SP P61990 "RecName: Full=DNA-binding protein 7a; AltName: Full=7 kDa DNA-binding protein a; AltName: Full=Endoribonuclease P2; AltName: Fu" 100.00 64 98.39 98.39 4.41e-33 SP P61991 "RecName: Full=DNA-binding protein 7a; AltName: Full=7 kDa DNA-binding protein a; AltName: Full=Endoribonuclease P2; AltName: Fu" 100.00 64 98.39 98.39 4.41e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Sso7d-F31A_mutant 'Sulfolobus solfataricus' 2287 Archaea . Sulfolobus solfataricus choli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Sso7d-F31A_mutant 'recombinant technology' 'ESCHERICHIA COLI' 'ESCHERICHIA COLI' . 'BL21 (DE3) PLYSE' . 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 $Sso7d-F31A_mutant 2.0 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_FELIX _Saveframe_category software _Name FELIX _Version 970 loop_ _Vendor _Address _Electronic_address 'Molecular Simulations Inc.' ; 9685 Scranton Road San Diego CA 92121-2777 USA ; http://www.msi.com/ stop_ loop_ _Task 'resonance assignments' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_GE-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name GE-TOCSY _Sample_label . save_ save_GE-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name GE-NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name GE-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name GE-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pD 4.5 0.1 n/a temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 2 'methyl deuterium' ppm 0.00 internal direct cylindrical internal parallel . DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_alashifts_bmrb.txt _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label DQF-COSY GE-TOCSY GE-NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sso7d, F31A mutant' _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 ALA HA H 4.245 0.01 1 2 . 1 ALA HB H 1.482 0.01 1 3 . 2 THR H H 8.493 0.01 1 4 . 2 THR HA H 5.027 0.01 1 5 . 2 THR HB H 3.817 0.01 1 6 . 3 VAL H H 8.782 0.01 1 7 . 3 VAL HA H 4.123 0.01 1 8 . 3 VAL HB H 1.430 0.01 1 9 . 3 VAL HG1 H 0.553 0.01 2 10 . 3 VAL HG2 H 0.068 0.01 2 11 . 4 LYS H H 8.136 0.01 1 12 . 4 LYS HA H 4.689 0.01 1 13 . 4 LYS HG2 H 1.259 0.01 2 14 . 4 LYS HG3 H 1.077 0.01 2 15 . 5 PHE H H 8.516 0.01 1 16 . 5 PHE HA H 4.793 0.01 1 17 . 5 PHE HB2 H 3.070 0.01 2 18 . 5 PHE HB3 H 2.744 0.01 2 19 . 5 PHE HZ H 6.702 0.01 1 20 . 5 PHE HD1 H 6.787 0.01 3 21 . 5 PHE HE1 H 6.688 0.01 3 22 . 6 LYS H H 9.032 0.01 1 23 . 6 LYS HA H 5.333 0.01 1 24 . 6 LYS HG2 H 1.453 0.01 2 25 . 6 LYS HG3 H 1.359 0.01 2 26 . 7 TYR H H 8.842 0.01 1 27 . 7 TYR HA H 4.709 0.01 1 28 . 7 TYR HB2 H 3.361 0.01 2 29 . 7 TYR HB3 H 3.009 0.01 2 30 . 7 TYR HD1 H 7.234 0.01 3 31 . 7 TYR HE1 H 6.874 0.01 3 32 . 8 LYS H H 9.159 0.01 1 33 . 8 LYS HA H 3.698 0.01 1 34 . 8 LYS HG2 H 0.865 0.01 2 35 . 8 LYS HG3 H 0.593 0.01 2 36 . 9 GLY H H 8.564 0.01 1 37 . 9 GLY HA2 H 4.167 0.01 2 38 . 9 GLY HA3 H 3.697 0.01 2 39 . 10 GLU H H 7.983 0.01 1 40 . 10 GLU HA H 4.708 0.01 1 41 . 10 GLU HB2 H 2.241 0.01 2 42 . 10 GLU HB3 H 2.132 0.01 2 43 . 11 GLU H H 8.898 0.01 1 44 . 11 GLU HA H 5.269 0.01 1 45 . 11 GLU HB2 H 2.023 0.01 2 46 . 11 GLU HB3 H 1.916 0.01 2 47 . 12 LYS H H 9.026 0.01 1 48 . 12 LYS HA H 4.618 0.01 1 49 . 13 GLN H H 8.650 0.01 1 50 . 13 GLN HA H 4.848 0.01 1 51 . 13 GLN HB2 H 2.063 0.01 2 52 . 13 GLN HB3 H 1.877 0.01 2 53 . 14 VAL H H 8.927 0.01 1 54 . 14 VAL HA H 4.120 0.01 1 55 . 14 VAL HB H 1.477 0.01 1 56 . 14 VAL HG1 H 0.422 0.01 2 57 . 14 VAL HG2 H 0.128 0.01 2 58 . 15 ASP H H 8.741 0.01 1 59 . 15 ASP HA H 4.629 0.01 1 60 . 15 ASP HB2 H 2.616 0.01 2 61 . 15 ASP HB3 H 2.594 0.01 2 62 . 16 ILE H H 8.384 0.01 1 63 . 16 ILE HA H 3.775 0.01 1 64 . 16 ILE HB H 1.856 0.01 1 65 . 16 ILE HG12 H 1.460 0.01 2 66 . 16 ILE HG13 H 1.171 0.01 2 67 . 16 ILE HG2 H 0.890 0.01 1 68 . 16 ILE HD1 H 0.672 0.01 1 69 . 17 SER H H 8.915 0.01 1 70 . 17 SER HA H 4.294 0.01 1 71 . 18 LYS H H 8.118 0.01 1 72 . 18 LYS HA H 4.572 0.01 1 73 . 18 LYS HB2 H 2.470 0.01 2 74 . 18 LYS HB3 H 2.024 0.01 2 75 . 18 LYS HG2 H 1.703 0.01 2 76 . 18 LYS HG3 H 1.504 0.01 2 77 . 19 ILE H H 7.495 0.01 1 78 . 19 ILE HA H 4.043 0.01 1 79 . 19 ILE HB H 2.071 0.01 1 80 . 19 ILE HG12 H 1.725 0.01 2 81 . 19 ILE HG13 H 1.272 0.01 2 82 . 19 ILE HG2 H 0.956 0.01 1 83 . 19 ILE HD1 H 0.890 0.01 1 84 . 20 LYS H H 9.067 0.01 1 85 . 20 LYS HA H 4.522 0.01 1 86 . 21 LYS H H 7.531 0.01 1 87 . 21 LYS HA H 4.747 0.01 1 88 . 22 VAL H H 8.404 0.01 1 89 . 22 VAL HA H 5.428 0.01 1 90 . 22 VAL HB H 1.896 0.01 1 91 . 23 TRP H H 9.231 0.01 1 92 . 23 TRP HA H 4.960 0.01 1 93 . 23 TRP HB2 H 3.506 0.01 2 94 . 23 TRP HB3 H 3.237 0.01 2 95 . 23 TRP HD1 H 7.012 0.01 1 96 . 23 TRP HE3 H 7.204 0.01 1 97 . 23 TRP HZ3 H 6.907 0.01 1 98 . 23 TRP HH2 H 6.907 0.01 1 99 . 23 TRP HZ2 H 7.363 0.01 1 100 . 24 ARG H H 8.853 0.01 1 101 . 24 ARG HA H 4.942 0.01 1 102 . 24 ARG HB2 H 1.875 0.01 2 103 . 24 ARG HB3 H 1.744 0.01 2 104 . 24 ARG HG2 H 1.625 0.01 2 105 . 24 ARG HG3 H 1.532 0.01 2 106 . 24 ARG HD2 H 3.315 0.01 2 107 . 24 ARG HD3 H 3.236 0.01 2 108 . 24 ARG HE H 7.646 0.01 1 109 . 25 VAL H H 8.681 0.01 1 110 . 25 VAL HA H 4.264 0.01 1 111 . 25 VAL HB H 2.047 0.01 1 112 . 25 VAL HG1 H 1.031 0.01 2 113 . 25 VAL HG2 H 0.979 0.01 2 114 . 26 GLY H H 9.175 0.01 1 115 . 26 GLY HA2 H 4.036 0.01 2 116 . 26 GLY HA3 H 3.715 0.01 2 117 . 27 LYS H H 8.933 0.01 1 118 . 27 LYS HA H 4.457 0.01 1 119 . 28 MET H H 8.169 0.01 1 120 . 28 MET HA H 5.042 0.01 1 121 . 28 MET HB2 H 2.221 0.01 2 122 . 28 MET HB3 H 1.843 0.01 2 123 . 28 MET HG2 H 2.664 0.01 2 124 . 28 MET HG3 H 2.502 0.01 2 125 . 29 ILE H H 9.285 0.01 1 126 . 29 ILE HA H 4.474 0.01 1 127 . 29 ILE HB H 1.954 0.01 1 128 . 29 ILE HG12 H 1.325 0.01 2 129 . 29 ILE HG13 H 1.100 0.01 2 130 . 29 ILE HG2 H 0.744 0.01 1 131 . 29 ILE HD1 H 0.725 0.01 1 132 . 30 SER H H 8.808 0.01 1 133 . 30 SER HA H 4.975 0.01 1 134 . 30 SER HB2 H 2.500 0.01 2 135 . 30 SER HB3 H 2.229 0.01 2 136 . 31 ALA H H 8.282 0.01 1 137 . 31 ALA HA H 5.445 0.01 1 138 . 31 ALA HB H 1.229 0.01 1 139 . 32 THR H H 8.813 0.01 1 140 . 32 THR HA H 5.309 0.01 1 141 . 32 THR HB H 4.153 0.01 1 142 . 33 TYR H H 8.205 0.01 1 143 . 33 TYR HA H 5.342 0.01 1 144 . 33 TYR HB2 H 2.715 0.01 2 145 . 33 TYR HB3 H 2.595 0.01 2 146 . 33 TYR HD1 H 6.291 0.01 3 147 . 33 TYR HE1 H 6.185 0.01 3 148 . 34 ASP H H 8.869 0.01 1 149 . 34 ASP HA H 4.790 0.01 1 150 . 34 ASP HB2 H 2.964 0.01 2 151 . 34 ASP HB3 H 2.689 0.01 2 152 . 35 GLU H H 8.529 0.01 1 153 . 35 GLU HA H 4.563 0.01 1 154 . 36 GLY H H 8.558 0.01 1 155 . 36 GLY HA2 H 4.476 0.01 2 156 . 36 GLY HA3 H 3.855 0.01 2 157 . 37 GLY H H 8.867 0.01 1 158 . 38 GLY H H 9.018 0.01 1 159 . 38 GLY HA2 H 4.173 0.01 2 160 . 38 GLY HA3 H 3.687 0.01 2 161 . 39 LYS H H 7.539 0.01 1 162 . 39 LYS HA H 4.484 0.01 1 163 . 40 THR H H 8.625 0.01 1 164 . 40 THR HA H 4.885 0.01 1 165 . 40 THR HB H 3.921 0.01 1 166 . 41 GLY H H 8.713 0.01 1 167 . 41 GLY HA2 H 4.100 0.01 2 168 . 41 GLY HA3 H 2.706 0.01 2 169 . 42 ARG H H 7.658 0.01 1 170 . 42 ARG HA H 5.075 0.01 1 171 . 42 ARG HB2 H 1.579 0.01 2 172 . 42 ARG HB3 H 1.414 0.01 2 173 . 42 ARG HG2 H 1.325 0.01 2 174 . 42 ARG HG3 H 1.189 0.01 2 175 . 42 ARG HE H 7.115 0.01 1 176 . 43 GLY H H 8.132 0.01 1 177 . 43 GLY HA2 H 4.261 0.01 2 178 . 43 GLY HA3 H 3.442 0.01 2 179 . 44 ALA H H 8.415 0.01 1 180 . 44 ALA HA H 5.792 0.01 1 181 . 44 ALA HB H 1.390 0.01 1 182 . 45 VAL H H 9.385 0.01 1 183 . 45 VAL HA H 4.712 0.01 1 184 . 45 VAL HB H 2.079 0.01 1 185 . 45 VAL HG1 H 1.007 0.01 2 186 . 45 VAL HG2 H 0.745 0.01 2 187 . 46 SER H H 9.025 0.01 1 188 . 46 SER HA H 4.911 0.01 1 189 . 46 SER HB2 H 4.152 0.01 2 190 . 46 SER HB3 H 3.972 0.01 2 191 . 47 GLU H H 8.767 0.01 1 192 . 47 GLU HA H 3.862 0.01 1 193 . 47 GLU HG2 H 2.345 0.01 2 194 . 47 GLU HG3 H 2.177 0.01 2 195 . 48 LYS H H 8.077 0.01 1 196 . 48 LYS HA H 4.142 0.01 1 197 . 49 ASP H H 7.531 0.01 1 198 . 49 ASP HA H 4.735 0.01 1 199 . 49 ASP HB2 H 2.888 0.01 2 200 . 49 ASP HB3 H 2.556 0.01 2 201 . 50 ALA H H 7.450 0.01 1 202 . 50 ALA HA H 4.323 0.01 1 203 . 50 ALA HB H 1.322 0.01 1 204 . 51 PRO HA H 4.716 0.01 1 205 . 51 PRO HB2 H 2.516 0.01 2 206 . 51 PRO HB3 H 2.184 0.01 2 207 . 51 PRO HG2 H 2.228 0.01 2 208 . 51 PRO HG3 H 1.860 0.01 2 209 . 51 PRO HD2 H 4.098 0.01 2 210 . 51 PRO HD3 H 3.387 0.01 2 211 . 52 LYS H H 9.105 0.01 1 212 . 52 LYS HA H 3.923 0.01 1 213 . 52 LYS HB2 H 1.930 0.01 2 214 . 52 LYS HB3 H 1.802 0.01 2 215 . 53 GLU H H 9.846 0.01 1 216 . 53 GLU HA H 3.976 0.01 1 217 . 53 GLU HB2 H 1.899 0.01 2 218 . 53 GLU HB3 H 1.797 0.01 2 219 . 53 GLU HG2 H 2.503 0.01 2 220 . 53 GLU HG3 H 2.274 0.01 2 221 . 54 LEU H H 7.426 0.01 1 222 . 54 LEU HA H 4.312 0.01 1 223 . 54 LEU HB2 H 1.961 0.01 2 224 . 54 LEU HB3 H 1.198 0.01 2 225 . 54 LEU HG H 1.617 0.01 1 226 . 54 LEU HD1 H 1.033 0.01 2 227 . 54 LEU HD2 H 0.866 0.01 2 228 . 55 LEU H H 7.361 0.01 1 229 . 55 LEU HA H 3.955 0.01 1 230 . 55 LEU HG H 1.582 0.01 1 231 . 55 LEU HD1 H 0.938 0.01 2 232 . 55 LEU HD2 H 0.802 0.01 2 233 . 56 GLN H H 8.268 0.01 1 234 . 56 GLN HA H 4.092 0.01 1 235 . 57 MET H H 7.437 0.01 1 236 . 57 MET HA H 4.136 0.01 1 237 . 57 MET HG2 H 2.918 0.01 2 238 . 57 MET HG3 H 2.547 0.01 2 239 . 58 LEU H H 7.492 0.01 1 240 . 58 LEU HA H 4.114 0.01 1 241 . 58 LEU HG H 1.701 0.01 1 242 . 59 GLU H H 7.838 0.01 1 243 . 59 GLU HA H 4.239 0.01 1 244 . 59 GLU HB2 H 2.139 0.01 2 245 . 59 GLU HB3 H 2.065 0.01 2 246 . 59 GLU HG2 H 2.416 0.01 2 247 . 59 GLU HG3 H 2.362 0.01 2 248 . 60 LYS H H 7.901 0.01 1 249 . 60 LYS HA H 4.340 0.01 1 250 . 60 LYS HB2 H 1.954 0.01 2 251 . 60 LYS HB3 H 1.862 0.01 2 252 . 61 GLN H H 8.091 0.01 1 253 . 61 GLN HA H 4.378 0.01 1 254 . 61 GLN HB2 H 2.279 0.01 2 255 . 61 GLN HB3 H 2.098 0.01 2 256 . 62 LYS H H 7.953 0.01 1 257 . 62 LYS HA H 4.198 0.01 1 258 . 62 LYS HB2 H 1.867 0.01 2 259 . 62 LYS HB3 H 1.790 0.01 2 stop_ save_