data_1991 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Determinants of Protein Hyperthermostability: Purification and Amino Acid Sequence of Rubredoxin from the Hyperthermophilic Archaebacterium Pyrococcus furiosus and Secondary Structure of the Zinc Adduct by NMR ; _BMRB_accession_number 1991 _BMRB_flat_file_name bmr1991.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _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 Blake Paul R. . 2 Park Jae-Bum . . 3 Bryant Frank O. . 4 Aono Shigetoshi . . 5 Magnuson Jon K. . 6 Eccleston Eric . . 7 Howard James B. . 8 Summers Michael F. . 9 Adams Michael W.W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 246 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Blake, Paul R., Park, Jae-Bum, Bryant, Frank O., Aono, Shigetoshi, Magnuson, Jon K., Eccleston, Eric, Howard, James B., Summers, Michael F., Adams, Michael W. W., "Determinants of Protein Hyperthermostability: Purification and Amino Acid Sequence of Rubredoxin from the Hyperthermophilic Archaebacterium Pyrococcus furiosus and Secondary Structure of the Zinc Adduct by NMR," Biochemistry 30 (45), 10885-10895 (1991). ; _Citation_title ; Determinants of Protein Hyperthermostability: Purification and Amino Acid Sequence of Rubredoxin from the Hyperthermophilic Archaebacterium Pyrococcus furiosus and Secondary Structure of the Zinc Adduct by NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blake Paul R. . 2 Park Jae-Bum . . 3 Bryant Frank O. . 4 Aono Shigetoshi . . 5 Magnuson Jon K. . 6 Eccleston Eric . . 7 Howard James B. . 8 Summers Michael F. . 9 Adams Michael W.W. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10885 _Page_last 10895 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_rubredoxin _Saveframe_category molecular_system _Mol_system_name rubredoxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rubredoxin $rubredoxin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rubredoxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rubredoxin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; AKWVCKICGYIYDEDAGDPD NGISPGTKFEELPDDWVCPI CGAPKSEFEKLED ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LYS 3 TRP 4 VAL 5 CYS 6 LYS 7 ILE 8 CYS 9 GLY 10 TYR 11 ILE 12 TYR 13 ASP 14 GLU 15 ASP 16 ALA 17 GLY 18 ASP 19 PRO 20 ASP 21 ASN 22 GLY 23 ILE 24 SER 25 PRO 26 GLY 27 THR 28 LYS 29 PHE 30 GLU 31 GLU 32 LEU 33 PRO 34 ASP 35 ASP 36 TRP 37 VAL 38 CYS 39 PRO 40 ILE 41 CYS 42 GLY 43 ALA 44 PRO 45 LYS 46 SER 47 GLU 48 PHE 49 GLU 50 LYS 51 LEU 52 GLU 53 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 1BQ8 "Rubredoxin (Methionine Mutant) From Pyrococcus Furiosus" 100.00 54 100.00 100.00 5.41e-29 PDB 1BQ9 "Rubredoxin (Formyl Methionine Mutant) From Pyrococcus Furiosus" 100.00 54 100.00 100.00 7.57e-29 PDB 1BRF "Rubredoxin (Wild Type) From Pyrococcus Furiosus" 100.00 53 100.00 100.00 7.41e-29 PDB 1CAA "X-Ray Crystal Structures Of The Oxidized And Reduced Forms Of The Rubredoxin From The Marine Hyperthermophilic Archaebacterium " 100.00 53 100.00 100.00 7.41e-29 PDB 1CAD "X-Ray Crystal Structures Of The Oxidized And Reduced Forms Of The Rubredoxin From The Marine Hyperthermophilic Archaebacterium " 100.00 53 100.00 100.00 7.41e-29 PDB 1VCX "Neutron Crystal Structure Of The Wild Type Rubredoxin From Pyrococcus Furiosus At 1.5a Resolution" 100.00 53 100.00 100.00 7.41e-29 PDB 1ZRP "Solution-State Structure By Nmr Of Zinc-Substituted Rubredoxin From The Marine Hyperthermophilic Archaebacterium Pyrococcus Fur" 100.00 53 100.00 100.00 7.41e-29 PDB 3KYU "X-Ray Crystal Structure Determination Of Fully Perdeuterated Rubredoxin At 100k" 98.11 54 100.00 100.00 3.07e-28 PDB 3KYV "Denovo X-Ray Crystal Structure Determination Of H-Labeled Perdeuterated Rubredoxin At 100k" 98.11 54 100.00 100.00 3.07e-28 PDB 3KYW "Xray Crystal Structure Determination Of H-Labeled Perdeuterated Rubredoxin At 295k" 100.00 54 100.00 100.00 7.57e-29 PDB 3KYX "Joint XrayNEUTRON CRYSTAL STRUCTURE DETERMINATION OF FULLY Perdeuterated Rubredoxin At 295k" 100.00 54 100.00 100.00 7.57e-29 PDB 3KYY "Joint XrayNEUTRON CRYSTAL STRUCTURE DETERMINATION OF H-Labeled Perdeuterated Rubredoxin At 295k" 100.00 54 100.00 100.00 7.57e-29 PDB 3RYG "128 Hours Neutron Structure Of Perdeuterated Rubredoxin" 100.00 54 100.00 100.00 5.41e-29 PDB 3RZ6 "Neutron Structure Of Perdeuterated Rubredoxin Using 40 Hours 1st Pass Data" 100.00 54 100.00 100.00 5.41e-29 PDB 3RZT "Neutron Structure Of Perdeuterated Rubredoxin Using Rapid (14 Hours) Data" 100.00 54 100.00 100.00 5.41e-29 PDB 3SS2 "Neutron Structure Of Perdeuterated Rubredoxin Using 48 Hours 3rd Pass Data" 100.00 54 100.00 100.00 5.41e-29 PDB 4AR3 "Near-atomic Resolution Neutron Crystallography On The Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin." 98.11 54 100.00 100.00 3.07e-28 PDB 4AR4 "Neutron Crystallographic Structure Of The Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin To 1.38 Angstroms Resolutio" 98.11 54 100.00 100.00 3.07e-28 PDB 4AR5 "X-ray Crystallographic Structure Of The Oxidised Form Perdeuterated Pyrococcus Furiosus Rubredoxin In D2o At 295k (in Quartz Ca" 98.11 54 100.00 100.00 3.07e-28 PDB 4AR6 "X-ray Crystallographic Structure Of The Reduced Form Perdeuterated Pyrococcus Furiosus Rubredoxin At 295 K (in Quartz Capillary" 98.11 54 100.00 100.00 3.07e-28 PDB 4K9F "Neutron Structure Of Perdeuterated Rubredoxin Refined Against 1.75 Resolution Data Collected On The New Imagine Instrument At H" 100.00 54 100.00 100.00 7.57e-29 GB AAB20233 "rubredoxin, Rd [Pyrococcus furiosus, DSM 3638, Peptide, 53 aa]" 100.00 53 100.00 100.00 7.41e-29 GB AAF03228 "rubredoxin [Pyrococcus furiosus]" 100.00 54 100.00 100.00 5.41e-29 GB AAL81406 "rubredoxin [Pyrococcus furiosus DSM 3638]" 100.00 54 100.00 100.00 5.41e-29 GB AFN04066 "rubredoxin [Pyrococcus furiosus COM1]" 100.00 54 100.00 100.00 5.41e-29 REF WP_011012426 "rubredoxin [Pyrococcus furiosus]" 100.00 54 100.00 100.00 5.41e-29 SP P24297 "RecName: Full=Rubredoxin; Short=Rd" 100.00 54 100.00 100.00 5.41e-29 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 $rubredoxin 'hyperthermophylic archaebacter' 2261 Archaea . Pyrococcus furiosus 'DSM 3638' 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 $rubredoxin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 . na temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label H2O/HDO H . . ppm 4.58 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name rubredoxin _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 4.21 . 1 2 . 1 ALA HB H 1.63 . 1 3 . 2 LYS H H 8.56 . 1 4 . 2 LYS HA H 5.58 . 1 5 . 3 TRP H H 9.48 . 1 6 . 3 TRP HA H 5 . 1 7 . 3 TRP HB2 H 2.85 . 2 8 . 3 TRP HB3 H 2.96 . 2 9 . 3 TRP HD1 H 6.92 . 1 10 . 3 TRP HE1 H 9.66 . 1 11 . 3 TRP HE3 H 7.56 . 1 12 . 3 TRP HZ2 H 6.5 . 1 13 . 3 TRP HZ3 H 7.19 . 1 14 . 3 TRP HH2 H 6.83 . 1 15 . 4 VAL H H 9.71 . 1 16 . 4 VAL HA H 5.37 . 1 17 . 4 VAL HB H 1.81 . 1 18 . 4 VAL HG1 H .91 . 1 19 . 4 VAL HG2 H .91 . 1 20 . 5 CYS H H 9.19 . 1 21 . 5 CYS HA H 2.85 . 1 22 . 5 CYS HB2 H 2.69 . 2 23 . 5 CYS HB3 H 3.09 . 2 24 . 6 LYS H H 8.94 . 1 25 . 6 LYS HA H 3.98 . 1 26 . 7 ILE H H 9.09 . 1 27 . 7 ILE HA H 4.06 . 1 28 . 7 ILE HG12 H 1.4 . 1 29 . 7 ILE HG13 H 1.4 . 1 30 . 7 ILE HG2 H .87 . 1 31 . 7 ILE HD1 H .77 . 1 32 . 8 CYS H H 9.27 . 1 33 . 8 CYS HA H 5.02 . 1 34 . 8 CYS HB2 H 2.55 . 2 35 . 8 CYS HB3 H 3.31 . 2 36 . 9 GLY H H 7.97 . 1 37 . 9 GLY HA2 H 3.68 . 2 38 . 9 GLY HA3 H 4.26 . 2 39 . 10 TYR H H 9.33 . 1 40 . 10 TYR HA H 4.25 . 1 41 . 10 TYR HB2 H 3.13 . 2 42 . 10 TYR HB3 H 3.2 . 2 43 . 10 TYR HD1 H 7.38 . 1 44 . 10 TYR HD2 H 7.38 . 1 45 . 10 TYR HE1 H 7.11 . 1 46 . 10 TYR HE2 H 7.11 . 1 47 . 11 ILE H H 6.96 . 1 48 . 11 ILE HA H 4.8 . 1 49 . 11 ILE HB H 1.51 . 1 50 . 11 ILE HG12 H 1.88 . 1 51 . 11 ILE HG13 H 1.88 . 1 52 . 11 ILE HG2 H .7 . 1 53 . 11 ILE HD1 H .83 . 1 54 . 12 TYR H H 9.65 . 1 55 . 12 TYR HA H 4.64 . 1 56 . 12 TYR HB2 H 3.14 . 2 57 . 12 TYR HB3 H 3.36 . 2 58 . 12 TYR HD1 H 7.18 . 1 59 . 12 TYR HD2 H 7.18 . 1 60 . 12 TYR HE1 H 6.42 . 1 61 . 12 TYR HE2 H 6.42 . 1 62 . 12 TYR HH H 8.49 . 1 63 . 13 ASP H H 8.57 . 1 64 . 13 ASP HA H 4.92 . 1 65 . 13 ASP HB2 H 2.28 . 2 66 . 13 ASP HB3 H 2.89 . 2 67 . 14 GLU H H 8.2 . 1 68 . 14 GLU HA H 3.83 . 1 69 . 14 GLU HB2 H 1.92 . 2 70 . 14 GLU HB3 H 2.13 . 2 71 . 14 GLU HG2 H 3.02 . 1 72 . 14 GLU HG3 H 3.02 . 1 73 . 15 ASP H H 8 . 1 74 . 15 ASP HA H 4.28 . 1 75 . 15 ASP HB2 H 2.64 . 1 76 . 15 ASP HB3 H 2.64 . 1 77 . 16 ALA H H 7.3 . 1 78 . 16 ALA HA H 4.36 . 1 79 . 16 ALA HB H 1.52 . 1 80 . 17 GLY H H 8.1 . 1 81 . 17 GLY HA2 H 3.61 . 2 82 . 17 GLY HA3 H 3.96 . 2 83 . 18 ASP H H 8.27 . 1 84 . 18 ASP HA H 5.17 . 1 85 . 18 ASP HB2 H 3.01 . 1 86 . 18 ASP HB3 H 3.01 . 1 87 . 19 PRO HA H 4.19 . 1 88 . 19 PRO HD2 H 3.89 . 2 89 . 19 PRO HD3 H 4.03 . 2 90 . 20 ASP H H 8.93 . 1 91 . 20 ASP HA H 4.58 . 1 92 . 20 ASP HB2 H 2.73 . 1 93 . 20 ASP HB3 H 2.73 . 1 94 . 21 ASN H H 7.65 . 1 95 . 21 ASN HA H 5.13 . 1 96 . 21 ASN HB2 H 2.7 . 2 97 . 21 ASN HB3 H 3.08 . 2 98 . 22 GLY H H 7.76 . 1 99 . 22 GLY HA2 H 3.83 . 2 100 . 22 GLY HA3 H 4.15 . 2 101 . 23 ILE H H 7.65 . 1 102 . 23 ILE HA H 4.39 . 1 103 . 23 ILE HB H 1.99 . 1 104 . 23 ILE HG12 H 1.37 . 2 105 . 23 ILE HG13 H 1.44 . 2 106 . 23 ILE HG2 H .95 . 1 107 . 23 ILE HD1 H .86 . 1 108 . 24 SER H H 8.6 . 1 109 . 24 SER HA H 4.58 . 1 110 . 24 SER HB2 H 3.76 . 2 111 . 24 SER HB3 H 3.91 . 2 112 . 25 PRO HA H 3.75 . 1 113 . 26 GLY H H 8.16 . 1 114 . 26 GLY HA2 H 3.71 . 2 115 . 26 GLY HA3 H 4.24 . 2 116 . 27 THR H H 7.26 . 1 117 . 27 THR HA H 4.01 . 1 118 . 27 THR HB H 3.95 . 1 119 . 27 THR HG1 H 6.22 . 1 120 . 27 THR HG2 H 1.1 . 1 121 . 28 LYS H H 8.82 . 1 122 . 28 LYS HA H 4.03 . 1 123 . 28 LYS HB2 H 1.51 . 2 124 . 28 LYS HB3 H 2.13 . 2 125 . 29 PHE H H 9.95 . 1 126 . 29 PHE HA H 3.21 . 1 127 . 29 PHE HD1 H 5.71 . 1 128 . 29 PHE HD2 H 5.71 . 1 129 . 29 PHE HE1 H 6.28 . 1 130 . 29 PHE HE2 H 6.28 . 1 131 . 29 PHE HZ H 6.74 . 1 132 . 30 GLU H H 9.34 . 1 133 . 30 GLU HA H 3.74 . 1 134 . 30 GLU HB2 H 1.96 . 2 135 . 30 GLU HB3 H 2.03 . 2 136 . 30 GLU HG2 H 2.26 . 2 137 . 30 GLU HG3 H 2.37 . 2 138 . 31 GLU H H 7.41 . 1 139 . 31 GLU HA H 4.08 . 1 140 . 31 GLU HB2 H 2.06 . 1 141 . 31 GLU HB3 H 2.06 . 1 142 . 31 GLU HG2 H 2.2 . 1 143 . 31 GLU HG3 H 2.2 . 1 144 . 32 LEU H H 6.79 . 1 145 . 32 LEU HA H 3.84 . 1 146 . 32 LEU HB2 H .26 . 2 147 . 32 LEU HB3 H .56 . 2 148 . 32 LEU HG H .83 . 1 149 . 32 LEU HD1 H 1.61 . 2 150 . 32 LEU HD2 H .17 . 2 151 . 33 PRO HA H 4.32 . 1 152 . 33 PRO HG2 H 3.23 . 2 153 . 33 PRO HG3 H 3.71 . 2 154 . 34 ASP H H 8.56 . 1 155 . 34 ASP HA H 4.22 . 1 156 . 34 ASP HB2 H 2.6 . 2 157 . 34 ASP HB3 H 2.69 . 2 158 . 35 ASP H H 8.14 . 1 159 . 35 ASP HA H 4.56 . 1 160 . 35 ASP HB2 H 2.57 . 2 161 . 35 ASP HB3 H 2.89 . 2 162 . 36 TRP H H 7.61 . 1 163 . 36 TRP HA H 4.08 . 1 164 . 36 TRP HB2 H 2.88 . 1 165 . 36 TRP HB3 H 2.88 . 1 166 . 36 TRP HD1 H 7.13 . 1 167 . 36 TRP HE1 H 10.24 . 1 168 . 36 TRP HE3 H 7.23 . 1 169 . 36 TRP HZ2 H 6.6 . 1 170 . 36 TRP HZ3 H 6.83 . 1 171 . 36 TRP HH2 H 5.81 . 1 172 . 37 VAL H H 6.11 . 1 173 . 37 VAL HA H 4.41 . 1 174 . 37 VAL HB H 1.58 . 1 175 . 37 VAL HG1 H .32 . 2 176 . 37 VAL HG2 H .61 . 2 177 . 38 CYS H H 8.96 . 1 178 . 38 CYS HA H 3.83 . 1 179 . 38 CYS HB2 H 3.22 . 2 180 . 38 CYS HB3 H 3.09 . 2 181 . 39 PRO HA H 4.03 . 1 182 . 39 PRO HD2 H 3.18 . 2 183 . 39 PRO HD3 H 3.45 . 2 184 . 40 ILE H H 8.73 . 1 185 . 40 ILE HA H 4.1 . 1 186 . 40 ILE HB H 2.78 . 1 187 . 40 ILE HG12 H 1.26 . 1 188 . 40 ILE HG13 H 1.26 . 1 189 . 40 ILE HG2 H .88 . 1 190 . 40 ILE HD1 H .79 . 1 191 . 41 CYS H H 8.81 . 1 192 . 41 CYS HA H 4.91 . 1 193 . 41 CYS HB2 H 2.53 . 2 194 . 41 CYS HB3 H 3.27 . 2 195 . 42 GLY H H 7.9 . 1 196 . 42 GLY HA2 H 3.56 . 2 197 . 42 GLY HA3 H 4.06 . 2 198 . 43 ALA H H 9.11 . 1 199 . 43 ALA HA H 4.41 . 1 200 . 43 ALA HB H 1.54 . 1 201 . 44 PRO HA H 4.77 . 1 202 . 44 PRO HD2 H 3.86 . 2 203 . 44 PRO HD3 H 3.6 . 2 204 . 45 LYS H H 8.4 . 1 205 . 45 LYS HA H 4.16 . 1 206 . 46 SER H H 7.84 . 1 207 . 46 SER HA H 4.45 . 1 208 . 46 SER HB2 H 4.01 . 2 209 . 46 SER HB3 H 4.24 . 2 210 . 47 GLU H H 8.43 . 1 211 . 47 GLU HA H 4.78 . 1 212 . 47 GLU HB2 H 2.26 . 2 213 . 47 GLU HB3 H 2.06 . 2 214 . 47 GLU HG2 H 2.42 . 2 215 . 47 GLU HG3 H 2.63 . 2 216 . 48 PHE H H 7.74 . 1 217 . 48 PHE HA H 5.7 . 1 218 . 48 PHE HB2 H 2.68 . 2 219 . 48 PHE HB3 H 3.72 . 2 220 . 48 PHE HD1 H 7.42 . 1 221 . 48 PHE HD2 H 7.42 . 1 222 . 48 PHE HE1 H 7.59 . 1 223 . 48 PHE HE2 H 7.59 . 1 224 . 48 PHE HZ H 7.68 . 1 225 . 49 GLU H H 9.09 . 1 226 . 49 GLU HA H 4.87 . 1 227 . 50 LYS H H 8.23 . 1 228 . 50 LYS HA H 3.17 . 1 229 . 50 LYS HB2 H 1.06 . 2 230 . 50 LYS HB3 H 1.29 . 2 231 . 50 LYS HG2 H .07 . 2 232 . 50 LYS HG3 H .65 . 2 233 . 50 LYS HD2 H 2.7 . 1 234 . 50 LYS HD3 H 2.7 . 1 235 . 51 LEU H H 8.7 . 1 236 . 51 LEU HA H 4.29 . 1 237 . 51 LEU HB2 H 1.36 . 2 238 . 51 LEU HB3 H 1.47 . 2 239 . 51 LEU HD1 H .82 . 2 240 . 51 LEU HD2 H .85 . 2 241 . 52 GLU H H 7.92 . 1 242 . 52 GLU HA H 4.32 . 1 243 . 53 ASP H H 7.91 . 1 244 . 53 ASP HA H 4.32 . 1 245 . 53 ASP HB2 H 2.48 . 2 246 . 53 ASP HB3 H 2.64 . 2 stop_ save_