data_4462 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignements for mouse [Cd7]-metallothionein-1 ; _BMRB_accession_number 4462 _BMRB_flat_file_name bmr4462.str _Entry_type original _Submission_date 1999-11-21 _Accession_date 1999-11-22 _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 Zangger Klaus . . 2 Oz Gulin . . 3 Otvos James D. . 4 Armitage Ian M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 257 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-24 original author . stop_ _Original_release_date 2000-03-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Three-dimensional solution structure of mouse [Cd7]-metallothionein-1 by homonuclear and heteronuclear NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20095839 _PubMed_ID 10631978 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zangger Klaus . . 2 Oz Gulin . . 3 Otvos James D. . 4 Armitage Ian M. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 8 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2630 _Page_last 2638 _Year 1999 _Details . loop_ _Keyword protein metallothionein '2D NMR' accordion-HMQC Cd-113 stop_ save_ ################################## # Molecular system description # ################################## save_system_mouse_MT1 _Saveframe_category molecular_system _Mol_system_name 'mouse [Cd7]-metallothionein-1' _Abbreviation_common 'mouse MT1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mouse MT1' $mouse_MT1 '113Cd 1' $entity_CD '113Cd 2' $entity_CD '113Cd 3' $entity_CD '113Cd 4' $entity_CD '113Cd 5' $entity_CD '113Cd 6' $entity_CD '113Cd 7' $entity_CD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function ; metal storage (assumed) metal distribution (assumed) metal detoxification (assumed) ; stop_ _Database_query_date . _Details 'This is the first mammalian metallothionein isoform 1 studied by NMR' save_ ######################## # Monomeric polymers # ######################## save_mouse_MT1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'mouse [Cd7]-metallothionein-1' _Abbreviation_common 'mouse MT1' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; MDPNCSCSTGGSCTCTSSCA CKNCKCTSCKKSCCSCCPVG CSKCAQGCVCKGAADKCTCC A ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PRO 4 ASN 5 CYS 6 SER 7 CYS 8 SER 9 THR 10 GLY 11 GLY 12 SER 13 CYS 14 THR 15 CYS 16 THR 17 SER 18 SER 19 CYS 20 ALA 21 CYS 22 LYS 23 ASN 24 CYS 25 LYS 26 CYS 27 THR 28 SER 29 CYS 30 LYS 31 LYS 32 SER 33 CYS 34 CYS 35 SER 36 CYS 37 CYS 38 PRO 39 VAL 40 GLY 41 CYS 42 SER 43 LYS 44 CYS 45 ALA 46 GLN 47 GLY 48 CYS 49 VAL 50 CYS 51 LYS 52 GLY 53 ALA 54 ALA 55 ASP 56 LYS 57 CYS 58 THR 59 CYS 60 CYS 61 ALA 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 1DFS "Solution Structure Of The Alpha-Domain Of Mouse Metallothionein-1" 50.82 31 100.00 100.00 2.66e-08 DBJ BAC25563 "unnamed protein product [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27 GB AAA39527 "metallothionein-I [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27 GB AAB26768 "metallothionein-1 [Mus sp.]" 100.00 61 100.00 100.00 4.12e-27 GB AAH36990 "Metallothionein 1 [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27 GB EDL11119 "metallothionein 1, isoform CRA_b [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27 PIR I54574 "metallothionein-1 - mouse" 100.00 61 100.00 100.00 4.12e-27 REF NP_038630 "metallothionein-1 [Mus musculus]" 100.00 61 100.00 100.00 4.12e-27 SP P02802 "RecName: Full=Metallothionein-1; Short=MT-1; AltName: Full=Metallothionein-I; Short=MT-I" 100.00 61 100.00 100.00 4.12e-27 stop_ save_ ############# # Ligands # ############# save_CD _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CADMIUM ION' _BMRB_code CD _PDB_code CD _Molecular_mass 112.411 _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 CD CD CD . 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 $mouse_MT1 mouse 10090 Eukaryota Metazoa Mus musculus 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 $mouse_MT1 'recombinant technology' 'E. coli' Escherichia coli BL21(pLysS) pET3d 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 $mouse_MT1 0.7 mM . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1a loop_ _Task 'spectral processing' stop_ _Details 'commercial program by Varian' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_Cd-H_accordion_HMQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Cd-H accordion HMQC' _Sample_label $sample_1 save_ save_The_NOESY_and_TOCSY_sequences_had_a_watergate_block_at_the_end_for_solvent_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'The NOESY and TOCSY sequences had a watergate block at the end for solvent' _Sample_label $sample_1 save_ save_suppression_5 _Saveframe_category NMR_applied_experiment _Experiment_name suppression _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_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Cd-H accordion HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'The NOESY and TOCSY sequences had a watergate block at the end for solvent' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name suppression _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Experimental_conditions_1 _Saveframe_category sample_conditions _Details ; The sample was equilibrated for 30 minutes under these conditions before the spectra were collected ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.3 n/a temperature 273 2 K 'ionic strength' 0.18 0.05 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation H2O H 1 protons ppm 4.94 internal direct cylindrical internal parallel_to_Bo . $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_assigned_chemical_shifts_set_1 _Saveframe_category assigned_chemical_shifts _Details ; Not all signals were observed, which may result from the high flexibility of this protein ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Experimental_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mouse MT1' _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 MET H H 7.94 . 1 2 . 1 MET HA H 4.61 . 1 3 . 1 MET HB2 H 2.63 . 2 4 . 1 MET HB3 H 2.50 . 2 5 . 2 ASP H H 7.70 . 1 6 . 2 ASP HA H 4.96 . 1 7 . 2 ASP HB2 H 2.98 . 2 8 . 2 ASP HB3 H 2.55 . 2 9 . 3 PRO HA H 4.39 . 1 10 . 3 PRO HB2 H 2.31 . 1 11 . 3 PRO HB3 H 2.31 . 1 12 . 3 PRO HG2 H 2.04 . 2 13 . 3 PRO HG3 H 1.96 . 2 14 . 3 PRO HD2 H 3.87 . 1 15 . 3 PRO HD3 H 3.87 . 1 16 . 4 ASN H H 8.69 . 1 17 . 4 ASN HA H 4.76 . 1 18 . 4 ASN HB2 H 2.83 . 1 19 . 4 ASN HB3 H 2.83 . 1 20 . 4 ASN HD21 H 7.96 . 2 21 . 4 ASN HD22 H 7.08 . 2 22 . 5 CYS H H 7.81 . 1 23 . 5 CYS HA H 4.98 . 1 24 . 5 CYS HB2 H 3.20 . 2 25 . 5 CYS HB3 H 2.91 . 2 26 . 6 SER H H 8.47 . 1 27 . 6 SER HA H 4.74 . 1 28 . 6 SER HB2 H 3.92 . 1 29 . 6 SER HB3 H 3.92 . 1 30 . 7 CYS HA H 4.37 . 1 31 . 7 CYS HB2 H 3.26 . 1 32 . 7 CYS HB3 H 3.26 . 1 33 . 8 SER H H 8.79 . 1 34 . 8 SER HA H 4.65 . 1 35 . 8 SER HB2 H 4.15 . 2 36 . 8 SER HB3 H 3.91 . 2 37 . 9 THR H H 8.26 . 1 38 . 9 THR HA H 4.58 . 1 39 . 9 THR HB H 4.27 . 1 40 . 9 THR HG2 H 1.38 . 1 41 . 10 GLY H H 8.07 . 1 42 . 10 GLY HA2 H 4.22 . 2 43 . 10 GLY HA3 H 4.04 . 2 44 . 11 GLY H H 8.19 . 1 45 . 11 GLY HA2 H 4.25 . 2 46 . 11 GLY HA3 H 4.03 . 2 47 . 12 SER H H 8.01 . 1 48 . 12 SER HA H 4.55 . 1 49 . 12 SER HB2 H 3.80 . 1 50 . 12 SER HB3 H 3.80 . 1 51 . 13 CYS HA H 4.25 . 1 52 . 13 CYS HB2 H 3.26 . 1 53 . 13 CYS HB3 H 3.26 . 1 54 . 14 THR H H 8.24 . 1 55 . 14 THR HA H 4.84 . 1 56 . 14 THR HG2 H 1.31 . 1 57 . 15 CYS H H 8.61 . 1 58 . 15 CYS HA H 4.24 . 1 59 . 15 CYS HB2 H 3.20 . 2 60 . 15 CYS HB3 H 2.94 . 2 61 . 16 THR H H 8.21 . 1 62 . 16 THR HA H 4.33 . 1 63 . 16 THR HG2 H 1.40 . 1 64 . 17 SER H H 8.46 . 1 65 . 17 SER HA H 4.45 . 1 66 . 17 SER HB2 H 3.96 . 2 67 . 17 SER HB3 H 3.89 . 2 68 . 18 SER H H 7.96 . 1 69 . 18 SER HA H 4.43 . 1 70 . 18 SER HB2 H 3.80 . 1 71 . 18 SER HB3 H 3.80 . 1 72 . 19 CYS H H 8.43 . 1 73 . 19 CYS HA H 4.44 . 1 74 . 19 CYS HB2 H 3.10 . 2 75 . 19 CYS HB3 H 2.92 . 2 76 . 20 ALA H H 9.09 . 1 77 . 20 ALA HA H 4.68 . 1 78 . 20 ALA HB H 1.42 . 1 79 . 21 CYS H H 8.78 . 1 80 . 21 CYS HA H 4.12 . 1 81 . 21 CYS HB2 H 3.38 . 2 82 . 21 CYS HB3 H 2.94 . 2 83 . 22 LYS H H 8.77 . 1 84 . 22 LYS HA H 4.23 . 1 85 . 22 LYS HB2 H 1.80 . 2 86 . 22 LYS HB3 H 1.68 . 2 87 . 22 LYS HG2 H 1.51 . 2 88 . 22 LYS HG3 H 1.42 . 2 89 . 23 ASN H H 8.90 . 1 90 . 23 ASN HA H 4.66 . 1 91 . 23 ASN HB2 H 2.75 . 2 92 . 23 ASN HB3 H 2.59 . 2 93 . 23 ASN HD21 H 7.60 . 2 94 . 23 ASN HD22 H 6.92 . 2 95 . 24 CYS H H 8.50 . 1 96 . 24 CYS HA H 4.48 . 1 97 . 24 CYS HB2 H 2.99 . 1 98 . 24 CYS HB3 H 2.99 . 1 99 . 25 LYS H H 9.21 . 1 100 . 25 LYS HA H 4.42 . 1 101 . 25 LYS HB2 H 4.04 . 2 102 . 25 LYS HB3 H 3.90 . 2 103 . 26 CYS H H 8.66 . 1 104 . 26 CYS HA H 4.22 . 1 105 . 26 CYS HB2 H 3.24 . 2 106 . 26 CYS HB3 H 2.94 . 2 107 . 27 THR H H 8.83 . 1 108 . 27 THR HA H 4.17 . 1 109 . 27 THR HB H 4.41 . 1 110 . 27 THR HG2 H 1.29 . 1 111 . 28 SER H H 8.21 . 1 112 . 28 SER HA H 4.41 . 1 113 . 28 SER HB2 H 4.07 . 2 114 . 28 SER HB3 H 4.01 . 2 115 . 29 CYS H H 7.33 . 1 116 . 29 CYS HA H 4.35 . 1 117 . 29 CYS HB2 H 3.1 . 2 118 . 29 CYS HB3 H 2.94 . 2 119 . 30 LYS H H 7.78 . 1 120 . 30 LYS HA H 4.33 . 1 121 . 30 LYS HB2 H 1.77 . 2 122 . 30 LYS HB3 H 1.65 . 2 123 . 30 LYS HG2 H 1.40 . 1 124 . 30 LYS HG3 H 1.40 . 1 125 . 31 LYS H H 8.37 . 1 126 . 31 LYS HA H 4.47 . 1 127 . 31 LYS HB2 H 1.87 . 2 128 . 31 LYS HB3 H 1.71 . 2 129 . 31 LYS HG2 H 1.67 . 2 130 . 31 LYS HG3 H 1.46 . 2 131 . 32 SER H H 8.82 . 1 132 . 32 SER HA H 4.41 . 1 133 . 32 SER HB2 H 4.04 . 2 134 . 32 SER HB3 H 3.90 . 2 135 . 33 CYS H H 8.18 . 1 136 . 33 CYS HA H 4.45 . 1 137 . 33 CYS HB2 H 3.26 . 2 138 . 33 CYS HB3 H 3.13 . 2 139 . 34 CYS H H 8.36 . 1 140 . 34 CYS HA H 5.04 . 1 141 . 34 CYS HB2 H 3.56 . 2 142 . 34 CYS HB3 H 3.48 . 2 143 . 35 SER H H 8.99 . 1 144 . 35 SER HA H 4.41 . 1 145 . 35 SER HB2 H 3.99 . 2 146 . 35 SER HB3 H 3.85 . 2 147 . 36 CYS H H 8.51 . 1 148 . 36 CYS HA H 4.49 . 1 149 . 36 CYS HB2 H 3.20 . 2 150 . 36 CYS HB3 H 2.76 . 2 151 . 37 CYS H H 7.21 . 1 152 . 37 CYS HA H 5.12 . 1 153 . 37 CYS HB2 H 3.03 . 2 154 . 37 CYS HB3 H 2.98 . 2 155 . 38 PRO HA H 4.69 . 1 156 . 38 PRO HB2 H 2.30 . 2 157 . 38 PRO HB3 H 2.02 . 2 158 . 38 PRO HG2 H 2.05 . 2 159 . 38 PRO HG3 H 1.84 . 2 160 . 38 PRO HD2 H 3.80 . 2 161 . 38 PRO HD3 H 3.76 . 2 162 . 39 VAL H H 8.59 . 1 163 . 39 VAL HA H 3.82 . 1 164 . 39 VAL HB H 1.92 . 1 165 . 39 VAL HG1 H 0.94 . 2 166 . 39 VAL HG2 H 0.88 . 2 167 . 40 GLY H H 8.91 . 1 168 . 40 GLY HA2 H 4.08 . 2 169 . 40 GLY HA3 H 3.66 . 2 170 . 41 CYS H H 7.04 . 1 171 . 41 CYS HA H 4.11 . 1 172 . 41 CYS HB2 H 3.15 . 1 173 . 41 CYS HB3 H 3.15 . 1 174 . 42 SER H H 9.43 . 1 175 . 42 SER HA H 4.16 . 1 176 . 42 SER HB2 H 4 . 1 177 . 42 SER HB3 H 4 . 1 178 . 43 LYS H H 8.33 . 1 179 . 43 LYS HA H 4.25 . 1 180 . 43 LYS HB2 H 2.03 . 1 181 . 43 LYS HB3 H 2.03 . 1 182 . 43 LYS HG2 H 1.78 . 2 183 . 43 LYS HG3 H 1.59 . 2 184 . 44 CYS H H 7.66 . 1 185 . 44 CYS HA H 4.65 . 1 186 . 44 CYS HB2 H 3.70 . 2 187 . 44 CYS HB3 H 2.63 . 2 188 . 45 ALA H H 7.11 . 1 189 . 45 ALA HA H 4.14 . 1 190 . 45 ALA HB H 1.48 . 1 191 . 46 GLN H H 8.15 . 1 192 . 46 GLN HA H 4.53 . 1 193 . 46 GLN HB2 H 2.41 . 2 194 . 46 GLN HB3 H 2.35 . 2 195 . 46 GLN HG2 H 1.96 . 1 196 . 46 GLN HG3 H 1.96 . 1 197 . 46 GLN HE21 H 7.72 . 2 198 . 46 GLN HE22 H 6.98 . 2 199 . 47 GLY H H 7.40 . 1 200 . 47 GLY HA2 H 4.37 . 2 201 . 47 GLY HA3 H 3.60 . 2 202 . 48 CYS H H 8.85 . 1 203 . 48 CYS HA H 4.37 . 1 204 . 48 CYS HB2 H 2.96 . 2 205 . 48 CYS HB3 H 2.87 . 2 206 . 49 VAL H H 7.40 . 1 207 . 49 VAL HA H 4.65 . 1 208 . 49 VAL HB H 2.52 . 1 209 . 49 VAL HG1 H 1.03 . 2 210 . 49 VAL HG2 H 0.86 . 2 211 . 50 CYS H H 9.14 . 1 212 . 50 CYS HA H 4.52 . 1 213 . 50 CYS HB2 H 3.12 . 2 214 . 50 CYS HB3 H 2.60 . 2 215 . 51 LYS H H 8.50 . 1 216 . 51 LYS HA H 4.27 . 1 217 . 51 LYS HB2 H 1.80 . 2 218 . 51 LYS HB3 H 1.66 . 2 219 . 51 LYS HG2 H 1.46 . 2 220 . 51 LYS HG3 H 1.38 . 2 221 . 52 GLY H H 8.62 . 1 222 . 52 GLY HA2 H 4.04 . 2 223 . 52 GLY HA3 H 3.83 . 2 224 . 53 ALA H H 8.16 . 1 225 . 53 ALA HA H 4.39 . 1 226 . 53 ALA HB H 1.40 . 1 227 . 54 ALA H H 7.77 . 1 228 . 54 ALA HA H 4.33 . 1 229 . 54 ALA HB H 1.39 . 1 230 . 55 ASP H H 8.40 . 1 231 . 55 ASP HA H 4.31 . 1 232 . 55 ASP HB2 H 2.73 . 2 233 . 55 ASP HB3 H 2.68 . 2 234 . 56 LYS H H 7.76 . 1 235 . 56 LYS HA H 4.68 . 1 236 . 56 LYS HB2 H 1.79 . 2 237 . 56 LYS HB3 H 1.70 . 2 238 . 56 LYS HG2 H 1.40 . 1 239 . 56 LYS HG3 H 1.40 . 1 240 . 57 CYS H H 8.57 . 1 241 . 57 CYS HA H 5.20 . 1 242 . 57 CYS HB2 H 3.62 . 2 243 . 57 CYS HB3 H 3.52 . 2 244 . 58 THR H H 8.96 . 1 245 . 58 THR HA H 4.54 . 1 246 . 58 THR HG2 H 1.20 . 1 247 . 59 CYS H H 8.39 . 1 248 . 59 CYS HA H 4.59 . 1 249 . 59 CYS HB2 H 3.25 . 2 250 . 59 CYS HB3 H 3.17 . 2 251 . 60 CYS H H 7.84 . 1 252 . 60 CYS HA H 4.69 . 1 253 . 60 CYS HB2 H 3.07 . 2 254 . 60 CYS HB3 H 2.58 . 2 255 . 61 ALA H H 7.18 . 1 256 . 61 ALA HA H 4.07 . 1 257 . 61 ALA HB H 1.35 . 1 stop_ save_