data_4859 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF CU7 METALLOTHIONEIN ; _BMRB_accession_number 4859 _BMRB_flat_file_name bmr4859.str _Entry_type original _Submission_date 2000-10-16 _Accession_date 2000-10-17 _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 Bertini I. . . 2 Hartmann H. J. . 3 Klein T. . . 4 Liu G. . . 5 Luchinat C. . . 6 Weser U. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-04 original author . stop_ _Original_release_date 2002-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'High Resolution Solution Structure of the Protein Part of Cu7 Metallothionein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20137989 _PubMed_ID 10672009 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini I. . . 2 Hartmann H. J. . 3 Klein T. . . 4 Liu G. . . 5 Luchinat C. . . 6 Weser U. . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 267 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1008 _Page_last 1018 _Year 2000 _Details . loop_ _Keyword metallothionein NMR copper 'Saccharomyces cerevisiae' stop_ save_ ################################## # Molecular system description # ################################## save_MT _Saveframe_category molecular_system _Mol_system_name METALLOTHIONEIN _Abbreviation_common MT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label METALLOTHIONEIN $Cu7MT Cu-1 $CU1 Cu-2 $CU1 Cu-3 $CU1 Cu-4 $CU1 Cu-5 $CU1 Cu-6 $CU1 Cu-7 $CU1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cu7MT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common METALLOTHIONEIN _Abbreviation_common Cu7MT _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 40 _Mol_residue_sequence ; QNEGHECQCQCGSCKNNEQC QKSCSCPTGCNSDDKCPCGN ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 ASN 3 GLU 4 GLY 5 HIS 6 GLU 7 CYS 8 GLN 9 CYS 10 GLN 11 CYS 12 GLY 13 SER 14 CYS 15 LYS 16 ASN 17 ASN 18 GLU 19 GLN 20 CYS 21 GLN 22 LYS 23 SER 24 CYS 25 SER 26 CYS 27 PRO 28 THR 29 GLY 30 CYS 31 ASN 32 SER 33 ASP 34 ASP 35 LYS 36 CYS 37 PRO 38 CYS 39 GLY 40 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1AOO "Ag-Substituted Metallothionein From Saccharomyces Cerevisiae, Nmr, Minimized Average Structure" 100.00 40 100.00 100.00 1.41e-16 PDB 1AQQ "Ag-Substituted Metallothionein From Saccharomyces Cerevisiae, Nmr, 10 Structures" 100.00 40 100.00 100.00 1.41e-16 PDB 1AQR "Cu-Metallothionein From Saccharomyces Cerevisiae, Nmr, Minimized Average Structure" 100.00 40 100.00 100.00 1.41e-16 PDB 1AQS "Cu-Metallothionein From Saccharomyces Cerevisiae, Nmr, 10 Structures" 100.00 53 100.00 100.00 9.85e-17 PDB 1FMY "High Resolution Solution Structure Of The Protein Part Of Cu7 Metallothionein" 100.00 40 100.00 100.00 1.41e-16 PDB 1RJU "Crystal Structure Of A Truncated Form Of Yeast Copper Thionein" 90.00 36 100.00 100.00 8.02e-14 DBJ GAA23770 "K7_Cup1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 61 100.00 100.00 4.81e-17 EMBL CAA40884 "metallothionein [Saccharomyces cerevisiae]" 100.00 70 100.00 100.00 2.79e-17 EMBL CAY80056 "EC1118_1H13_0023p [Saccharomyces cerevisiae EC1118]" 100.00 61 100.00 100.00 4.81e-17 EMBL CAY80058 "Cup1-2p [Saccharomyces cerevisiae EC1118]" 100.00 61 100.00 100.00 4.81e-17 GB AAA34541 "copper chelatin [Saccharomyces cerevisiae]" 100.00 61 100.00 100.00 4.81e-17 GB AAB68382 "Cup1p: Copper metallothionein [Saccharomyces cerevisiae]" 100.00 61 100.00 100.00 4.81e-17 GB AAB68384 "Cup1p: Copper metallothionein [Saccharomyces cerevisiae]" 100.00 61 100.00 100.00 4.81e-17 GB AAS56843 "YHR053C [Saccharomyces cerevisiae]" 100.00 61 100.00 100.00 4.81e-17 GB AAT93096 "YHR055C [Saccharomyces cerevisiae]" 100.00 61 100.00 100.00 4.81e-17 REF NP_011920 "Cup1-2p [Saccharomyces cerevisiae S288c]" 100.00 61 100.00 100.00 4.81e-17 REF NP_011922 "Cup1-1p [Saccharomyces cerevisiae S288c]" 100.00 61 100.00 100.00 4.81e-17 SP P0CX80 "RecName: Full=Copper metallothionein 1-1; Short=Cu-MT; Short=Cu-metallothionein; AltName: Full=Copper chelatin; AltName: Full=C" 100.00 61 100.00 100.00 4.81e-17 SP P0CX81 "RecName: Full=Copper metallothionein 1-2; Short=Cu-MT; Short=Cu-metallothionein; AltName: Full=Copper chelatin; AltName: Full=C" 100.00 61 100.00 100.00 4.81e-17 TPG DAA06746 "TPA: metallothionein CUP1 [Saccharomyces cerevisiae S288c]" 100.00 61 100.00 100.00 4.81e-17 TPG DAA06748 "TPA: metallothionein CUP1 [Saccharomyces cerevisiae S288c]" 100.00 61 100.00 100.00 4.81e-17 stop_ save_ ############# # Ligands # ############# save_CU1 _Saveframe_category ligand _Mol_type non-polymer _Name_common "CU1 (COPPER (I) ION)" _BMRB_code . _PDB_code CU1 _Molecular_mass 63.546 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 16 09:59:28 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CU CU CU . 1 . ? 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 $Cu7MT 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_name $Cu7MT 'recombinant technology' . . . . . 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 $Cu7MT 5 mM . phosphate 18 mM . 2-mercaptoethanol 0.03 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task 'data analysis' 'data processing' stop_ _Details Bruker save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Guntert, P. ,et. al' save_ save_AMBER _Saveframe_category software _Name AMBER _Version 5 loop_ _Task refinement stop_ _Details 'Pearlman, D. A., et. al' save_ save_xeasy _Saveframe_category software _Name Xeasy _Version 3.1 loop_ _Task 'data analysis' stop_ _Details 'Eccles, C., et.al.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _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 pH 6.5 0.2 n/a temperature 283 0.1 K 'ionic strength' 0.02 . M stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 0.1 K 'ionic strength' 0.02 . M 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_citation_label _Correction_value_citation_label H2O H 1 protons ppm 4.97 external direct cylindrical external . $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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name METALLOTHIONEIN _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 GLN HA H 4.40 0.01 1 2 . 1 GLN HB2 H 2.42 0.01 1 3 . 1 GLN HB3 H 2.56 0.01 1 4 . 1 GLN HG3 H 1.95 0.01 1 5 . 1 GLN HG2 H 2.06 0.01 1 6 . 2 ASN H H 8.75 0.01 1 7 . 2 ASN HA H 4.77 0.01 1 8 . 2 ASN HB2 H 2.72 0.01 1 9 . 2 ASN HB3 H 2.88 0.01 1 10 . 2 ASN HD22 H 7.06 0.01 1 11 . 2 ASN HD21 H 7.74 0.01 1 12 . 3 GLU H H 8.82 0.01 1 13 . 3 GLU HA H 4.28 0.01 1 14 . 3 GLU HB2 H 1.94 0.01 1 15 . 3 GLU HB3 H 2.06 0.01 1 16 . 3 GLU HG2 H 2.30 0.01 1 17 . 3 GLU HG3 H 2.30 0.01 1 18 . 4 GLY H H 8.43 0.01 1 19 . 4 GLY HA2 H 3.66 0.01 1 20 . 4 GLY HA3 H 3.84 0.01 1 21 . 5 HIS H H 8.32 0.01 1 22 . 5 HIS HA H 4.99 0.01 1 23 . 5 HIS HB2 H 3.31 0.01 1 24 . 5 HIS HB3 H 3.31 0.01 1 25 . 5 HIS HD1 H 7.30 0.01 1 26 . 5 HIS HE1 H 8.70 0.01 1 27 . 6 GLU H H 8.82 0.01 1 28 . 6 GLU HA H 4.30 0.01 1 29 . 6 GLU HB2 H 2.06 0.01 1 30 . 6 GLU HB3 H 2.06 0.01 1 31 . 6 GLU HG2 H 2.31 0.01 1 32 . 6 GLU HG3 H 2.40 0.01 1 33 . 7 CYS H H 8.57 0.01 1 34 . 7 CYS HA H 4.27 0.01 1 35 . 7 CYS HB3 H 3.16 0.01 1 36 . 7 CYS HB2 H 3.96 0.01 1 37 . 8 GLN H H 9.61 0.01 1 38 . 8 GLN HA H 4.86 0.01 1 39 . 8 GLN HB2 H 1.91 0.01 1 40 . 8 GLN HB3 H 1.91 0.01 1 41 . 8 GLN HG2 H 2.38 0.01 1 42 . 8 GLN HG3 H 2.49 0.01 1 43 . 8 GLN HE22 H 6.91 0.01 1 44 . 8 GLN HE21 H 7.56 0.01 1 45 . 9 CYS H H 8.20 0.01 1 46 . 9 CYS HA H 4.10 0.01 1 47 . 9 CYS HB2 H 2.74 0.01 1 48 . 9 CYS HB3 H 4.45 0.01 1 49 . 10 GLN H H 7.83 0.01 1 50 . 10 GLN HA H 4.61 0.01 1 51 . 10 GLN HB2 H 1.61 0.01 1 52 . 10 GLN HB3 H 2.52 0.01 1 53 . 10 GLN HG2 H 2.33 0.01 1 54 . 10 GLN HG3 H 2.41 0.01 1 55 . 10 GLN HE22 H 6.96 0.01 1 56 . 10 GLN HE21 H 7.34 0.01 1 57 . 11 CYS H H 8.12 0.01 1 58 . 11 CYS HA H 4.27 0.01 1 59 . 11 CYS HB2 H 2.88 0.01 1 60 . 11 CYS HB3 H 3.82 0.01 1 61 . 12 GLY H H 8.80 0.01 1 62 . 12 GLY HA2 H 3.72 0.01 1 63 . 12 GLY HA3 H 4.00 0.01 1 64 . 13 SER H H 10.44 0.01 1 65 . 13 SER HA H 4.13 0.01 1 66 . 13 SER HB2 H 3.92 0.01 1 67 . 13 SER HB3 H 3.92 0.01 1 68 . 14 CYS H H 7.21 0.01 1 69 . 14 CYS HA H 4.30 0.01 1 70 . 14 CYS HB3 H 3.22 0.01 1 71 . 14 CYS HB2 H 3.68 0.01 1 72 . 15 LYS H H 8.06 0.01 1 73 . 15 LYS HA H 4.02 0.01 1 74 . 15 LYS HB3 H 1.60 0.01 1 75 . 15 LYS HB2 H 1.68 0.01 1 76 . 15 LYS HG2 H 1.38 0.01 1 77 . 15 LYS HG3 H 1.38 0.01 1 78 . 15 LYS HE2 H 2.96 0.01 1 79 . 15 LYS HE3 H 2.96 0.01 1 80 . 16 ASN HA H 4.78 0.01 1 81 . 16 ASN HB3 H 2.78 0.01 1 82 . 16 ASN HB2 H 3.03 0.01 1 83 . 16 ASN HD22 H 7.06 0.01 1 84 . 16 ASN HD21 H 7.82 0.01 1 85 . 17 ASN H H 7.59 0.01 1 86 . 17 ASN HA H 4.79 0.01 1 87 . 17 ASN HB2 H 2.71 0.01 1 88 . 17 ASN HB3 H 3.79 0.01 1 89 . 17 ASN HD22 H 7.21 0.01 1 90 . 17 ASN HD21 H 7.43 0.01 1 91 . 18 GLU H H 9.44 0.01 1 92 . 18 GLU HA H 4.07 0.01 1 93 . 18 GLU HB2 H 2.10 0.01 1 94 . 18 GLU HB3 H 2.10 0.01 1 95 . 18 GLU HG2 H 2.32 0.01 1 96 . 18 GLU HG3 H 2.39 0.01 1 97 . 19 GLN H H 8.35 0.01 1 98 . 19 GLN HA H 4.16 0.01 1 99 . 19 GLN HB2 H 2.19 0.01 1 100 . 19 GLN HB3 H 2.19 0.01 1 101 . 19 GLN HG2 H 2.47 0.01 1 102 . 19 GLN HG3 H 2.47 0.01 1 103 . 19 GLN HE22 H 6.95 0.01 1 104 . 19 GLN HE21 H 7.68 0.01 1 105 . 20 CYS H H 7.38 0.01 1 106 . 20 CYS HA H 5.20 0.01 1 107 . 20 CYS HB3 H 2.67 0.01 1 108 . 20 CYS HB2 H 3.32 0.01 1 109 . 21 GLN H H 7.15 0.01 1 110 . 21 GLN HA H 4.15 0.01 1 111 . 21 GLN HB2 H 2.13 0.01 1 112 . 21 GLN HB3 H 2.18 0.01 1 113 . 21 GLN HG3 H 2.47 0.01 1 114 . 21 GLN HG2 H 2.68 0.01 1 115 . 21 GLN HE22 H 6.70 0.01 1 116 . 21 GLN HE21 H 7.93 0.01 1 117 . 22 LYS H H 8.44 0.01 1 118 . 22 LYS HA H 4.46 0.01 1 119 . 22 LYS HB2 H 1.65 0.01 1 120 . 22 LYS HB3 H 1.92 0.01 1 121 . 22 LYS HG3 H 1.40 0.01 1 122 . 22 LYS HG2 H 1.44 0.01 1 123 . 22 LYS HE2 H 3.00 0.01 1 124 . 22 LYS HE3 H 3.00 0.01 1 125 . 23 SER H H 7.13 0.01 1 126 . 23 SER HA H 4.25 0.01 1 127 . 23 SER HB2 H 3.65 0.01 1 128 . 23 SER HB3 H 3.65 0.01 1 129 . 24 CYS H H 8.64 0.01 1 130 . 24 CYS HA H 4.55 0.01 1 131 . 24 CYS HB3 H 2.73 0.01 1 132 . 24 CYS HB2 H 4.01 0.01 1 133 . 25 SER H H 8.43 0.01 1 134 . 25 SER HA H 4.73 0.01 1 135 . 25 SER HB3 H 3.80 0.01 1 136 . 25 SER HB2 H 4.18 0.01 1 137 . 26 CYS H H 9.39 0.01 1 138 . 26 CYS HA H 4.24 0.01 1 139 . 26 CYS HB2 H 2.99 0.01 1 140 . 26 CYS HB3 H 3.07 0.01 1 141 . 27 PRO HA H 4.65 0.01 1 142 . 27 PRO HG2 H 1.93 0.01 1 143 . 27 PRO HB3 H 2.32 0.01 1 144 . 27 PRO HB2 H 2.07 0.01 1 145 . 27 PRO HG3 H 2.16 0.01 1 146 . 27 PRO HD2 H 3.53 0.01 1 147 . 27 PRO HD3 H 3.85 0.01 1 148 . 28 THR H H 8.59 0.01 1 149 . 28 THR HA H 3.88 0.01 1 150 . 28 THR HB H 3.98 0.01 1 151 . 28 THR HG2 H 1.21 0.01 1 152 . 29 GLY H H 9.10 0.01 1 153 . 29 GLY HA2 H 3.66 0.01 1 154 . 29 GLY HA3 H 3.97 0.01 1 155 . 30 CYS H H 7.53 0.01 1 156 . 30 CYS HA H 4.39 0.01 1 157 . 30 CYS HB2 H 2.92 0.01 1 158 . 30 CYS HB3 H 4.06 0.01 1 159 . 31 ASN H H 8.37 0.01 1 160 . 31 ASN HA H 4.96 0.01 1 161 . 31 ASN HB2 H 2.79 0.01 1 162 . 31 ASN HB3 H 2.99 0.01 1 163 . 31 ASN HD22 H 6.89 0.01 1 164 . 31 ASN HD21 H 7.50 0.01 1 165 . 32 SER H H 8.03 0.01 1 166 . 32 SER HA H 4.88 0.01 1 167 . 32 SER HB2 H 3.82 0.01 1 168 . 32 SER HB3 H 3.92 0.01 1 169 . 33 ASP H H 9.09 0.01 1 170 . 33 ASP HA H 4.47 0.01 1 171 . 33 ASP HB2 H 2.59 0.01 1 172 . 33 ASP HB3 H 2.78 0.01 1 173 . 34 ASP H H 8.49 0.01 1 174 . 34 ASP HA H 4.30 0.01 1 175 . 34 ASP HB2 H 2.66 0.01 1 176 . 34 ASP HB3 H 2.72 0.01 1 177 . 35 LYS H H 7.60 0.01 1 178 . 35 LYS HA H 4.45 0.01 1 179 . 35 LYS HB2 H 1.68 0.01 1 180 . 35 LYS HB3 H 2.07 0.01 1 181 . 35 LYS HG2 H 1.32 0.01 1 182 . 35 LYS HG3 H 1.40 0.01 1 183 . 35 LYS HD2 H 1.64 0.01 1 184 . 35 LYS HD3 H 1.64 0.01 1 185 . 35 LYS HE2 H 2.99 0.01 1 186 . 35 LYS HE3 H 2.99 0.01 1 187 . 36 CYS H H 7.28 0.01 1 188 . 36 CYS HA H 4.65 0.01 1 189 . 36 CYS HB3 H 3.17 0.01 1 190 . 36 CYS HB2 H 3.37 0.01 1 191 . 37 PRO HA H 4.98 0.01 1 192 . 37 PRO HB2 H 1.91 0.01 1 193 . 37 PRO HB3 H 2.38 0.01 1 194 . 37 PRO HG2 H 1.79 0.01 1 195 . 37 PRO HG3 H 2.22 0.01 1 196 . 37 PRO HD3 H 4.38 0.01 1 197 . 37 PRO HD2 H 4.57 0.01 1 198 . 38 CYS H H 8.31 0.01 1 199 . 38 CYS HA H 3.84 0.01 1 200 . 38 CYS HB2 H 2.47 0.01 1 201 . 38 CYS HB3 H 2.68 0.01 1 202 . 39 GLY H H 8.48 0.01 1 203 . 39 GLY HA2 H 3.88 0.01 1 204 . 39 GLY HA3 H 4.06 0.01 1 205 . 40 ASN H H 8.00 0.01 1 206 . 40 ASN HA H 4.85 0.01 1 207 . 40 ASN HB2 H 2.63 0.01 1 208 . 40 ASN HB3 H 2.94 0.01 1 209 . 40 ASN HD22 H 6.99 0.01 1 210 . 40 ASN HD21 H 7.66 0.01 1 stop_ save_