data_162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR Assignment and Secondary Structural Elements of Human Transforming Growth Factor alpha ; _BMRB_accession_number 162 _BMRB_flat_file_name bmr162.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 Brown Stephen C. . 2 Mueller Luciano . . 3 Jeffs Peter W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 276 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-10 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 ; Brown, Stephen C., Mueller, Luciano, Jeffs, Peter W., "1H NMR Assignment and Secondary Structural Elements of Human Transforming Growth Factor alpha," Biochemistry 28, 593-599 (1989). ; _Citation_title ; 1H NMR Assignment and Secondary Structural Elements of Human Transforming Growth Factor alpha ; _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 Brown Stephen C. . 2 Mueller Luciano . . 3 Jeffs Peter W. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 28 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 593 _Page_last 599 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_transforming_growth_factor _Saveframe_category molecular_system _Mol_system_name 'transforming growth factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'transforming growth factor' $transforming_growth_factor stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_transforming_growth_factor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'transforming growth factor' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; VVSHFNDCPDSHTQFCFHGT CRFLVQEDKPACVCHSGYVG ARCEHADLLA ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 VAL 3 SER 4 HIS 5 PHE 6 ASN 7 ASP 8 CYS 9 PRO 10 ASP 11 SER 12 HIS 13 THR 14 GLN 15 PHE 16 CYS 17 PHE 18 HIS 19 GLY 20 THR 21 CYS 22 ARG 23 PHE 24 LEU 25 VAL 26 GLN 27 GLU 28 ASP 29 LYS 30 PRO 31 ALA 32 CYS 33 VAL 34 CYS 35 HIS 36 SER 37 GLY 38 TYR 39 VAL 40 GLY 41 ALA 42 ARG 43 CYS 44 GLU 45 HIS 46 ALA 47 ASP 48 LEU 49 LEU 50 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 BMRB 183 "transforming growth factor" 100.00 50 100.00 100.00 9.87e-28 BMRB 246 "growth factor" 100.00 50 100.00 100.00 9.87e-28 PDB 1MOX "Crystal Structure Of Human Epidermal Growth Factor Receptor (Residues 1-501) In Complex With Tgf-Alpha" 100.00 50 100.00 100.00 9.87e-28 PDB 1YUF "Type Alpha Transforming Growth Factor, Nmr, 16 Models Without Energy Minimization" 98.00 50 100.00 100.00 4.71e-27 PDB 1YUG "Type Alpha Transforming Growth Factor, Nmr, 15 Models After Ecepp3 ENERGY MINIMIZATION" 98.00 50 100.00 100.00 4.71e-27 PDB 2TGF "The Solution Structure Of Human Transforming Growth Factor Alpha" 100.00 50 100.00 100.00 9.87e-28 PDB 3E50 "Crystal Structure Of Human Insulin Degrading Enzyme In Complex With Transforming Growth Factor-Alpha" 100.00 50 100.00 100.00 9.87e-28 PDB 3TGF "The Solution Structure Of Human Transforming Growth Factor Alpha" 100.00 50 100.00 100.00 9.87e-28 PDB 4TGF "Solution Structures Of Human Transforming Growth Factor Alpha Derived From 1H Nmr Data" 100.00 50 100.00 100.00 9.87e-28 DBJ BAF82840 "unnamed protein product [Homo sapiens]" 100.00 160 100.00 100.00 3.31e-28 DBJ BAJ20620 "transforming growth factor, alpha [synthetic construct]" 100.00 166 100.00 100.00 5.89e-28 EMBL CAA49806 "transforming growth factor alpha [Homo sapiens]" 100.00 160 100.00 100.00 3.31e-28 EMBL CAA50333 "transforming growth factor alpha [Sus scrofa]" 100.00 160 98.00 100.00 1.02e-27 EMBL CAH91798 "hypothetical protein [Pongo abelii]" 100.00 160 100.00 100.00 3.39e-28 GB AAA61158 "transforming growth factor alpha, partial [Homo sapiens]" 66.00 54 100.00 100.00 2.47e-15 GB AAA61159 "transforming growth factor alpha [Homo sapiens]" 100.00 160 100.00 100.00 3.31e-28 GB AAA73200 "unnamed protein product, partial [Oryctolagus cuniculus]" 100.00 50 98.00 98.00 5.13e-27 GB AAB33094 "transforming growth factor alpha, partial [Macaca mulatta]" 100.00 121 98.00 100.00 6.45e-28 GB AAF05089 "transforming growth factor-alpha variant I [Homo sapiens]" 100.00 163 100.00 100.00 5.14e-28 REF NP_001093161 "protransforming growth factor alpha isoform 2 preproprotein [Homo sapiens]" 100.00 159 100.00 100.00 3.60e-28 REF NP_001126045 "protransforming growth factor alpha precursor [Pongo abelii]" 100.00 160 100.00 100.00 3.39e-28 REF NP_001295087 "protransforming growth factor alpha isoform 3 precursor [Homo sapiens]" 100.00 166 100.00 100.00 5.89e-28 REF NP_001295088 "protransforming growth factor alpha isoform 4 precursor [Homo sapiens]" 100.00 165 100.00 100.00 6.00e-28 REF NP_003227 "protransforming growth factor alpha isoform 1 preproprotein [Homo sapiens]" 100.00 160 100.00 100.00 3.31e-28 SP P01135 "RecName: Full=Protransforming growth factor alpha; Contains: RecName: Full=Transforming growth factor alpha; Short=TGF-alpha; A" 100.00 160 100.00 100.00 3.31e-28 SP P55244 "RecName: Full=Protransforming growth factor alpha; Contains: RecName: Full=Transforming growth factor alpha; Short=TGF-alpha; A" 100.00 121 98.00 100.00 6.45e-28 SP P98138 "RecName: Full=Transforming growth factor alpha; Short=TGF-alpha; AltName: Full=EGF-like TGF; Short=ETGF; AltName: Full=TGF type" 100.00 50 98.00 98.00 5.13e-27 SP Q06922 "RecName: Full=Protransforming growth factor alpha; Contains: RecName: Full=Transforming growth factor alpha; Short=TGF-alpha; A" 100.00 160 98.00 100.00 1.02e-27 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 $transforming_growth_factor human 9606 Eukaryota Metazoa Homo sapiens generic 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 $transforming_growth_factor '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 3.42 . na temperature 310 . 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 TSP H . . ppm 0 . . . . . $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 'transforming growth factor' _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 VAL HA H 3.9 . 1 2 . 1 VAL HB H 2.21 . 1 3 . 1 VAL HG1 H 1.01 . 1 4 . 1 VAL HG2 H 1.01 . 1 5 . 2 VAL H H 8.47 . 1 6 . 2 VAL HA H 4.18 . 1 7 . 2 VAL HB H 2.02 . 1 8 . 2 VAL HG1 H .87 . 2 9 . 2 VAL HG2 H .94 . 2 10 . 3 SER H H 8.38 . 1 11 . 3 SER HA H 4.4 . 1 12 . 3 SER HB2 H 3.74 . 2 13 . 3 SER HB3 H 3.69 . 2 14 . 4 HIS H H 8.4 . 1 15 . 4 HIS HA H 4.69 . 1 16 . 4 HIS HB2 H 3.04 . 2 17 . 4 HIS HB3 H 3.19 . 2 18 . 4 HIS HD2 H 7.21 . 1 19 . 4 HIS HE1 H 8.68 . 1 20 . 5 PHE H H 8.24 . 1 21 . 5 PHE HA H 4.76 . 1 22 . 5 PHE HB2 H 2.93 . 2 23 . 5 PHE HB3 H 3.12 . 2 24 . 5 PHE HD1 H 7.2 . 1 25 . 5 PHE HD2 H 7.2 . 1 26 . 5 PHE HE1 H 7.33 . 1 27 . 5 PHE HE2 H 7.33 . 1 28 . 5 PHE HZ H 7.33 . 1 29 . 6 ASN H H 8.51 . 1 30 . 6 ASN HA H 4.77 . 1 31 . 6 ASN HB2 H 2.7 . 2 32 . 6 ASN HB3 H 2.85 . 2 33 . 6 ASN HD21 H 6.88 . 2 34 . 6 ASN HD22 H 7.5 . 2 35 . 7 ASP H H 7.96 . 1 36 . 7 ASP HA H 4.59 . 1 37 . 7 ASP HB2 H 2.57 . 2 38 . 7 ASP HB3 H 2.68 . 2 39 . 8 CYS H H 8.69 . 1 40 . 8 CYS HA H 4.43 . 1 41 . 8 CYS HB2 H 3.04 . 2 42 . 8 CYS HB3 H 3.16 . 2 43 . 9 PRO HA H 4.37 . 1 44 . 9 PRO HB2 H 1.87 . 2 45 . 9 PRO HB3 H 2.17 . 2 46 . 9 PRO HG2 H 1.73 . 2 47 . 9 PRO HG3 H 1.74 . 2 48 . 9 PRO HD2 H 3.35 . 2 49 . 9 PRO HD3 H 3.37 . 2 50 . 10 ASP H H 8.29 . 1 51 . 10 ASP HA H 4.54 . 1 52 . 10 ASP HB2 H 2.75 . 1 53 . 10 ASP HB3 H 2.75 . 1 54 . 11 SER H H 8.17 . 1 55 . 11 SER HA H 4.35 . 1 56 . 11 SER HB2 H 3.89 . 2 57 . 11 SER HB3 H 3.8 . 2 58 . 12 HIS H H 8.57 . 1 59 . 12 HIS HA H 4.67 . 1 60 . 12 HIS HB2 H 3.21 . 2 61 . 12 HIS HB3 H 3.39 . 2 62 . 12 HIS HD2 H 7.27 . 1 63 . 12 HIS HE1 H 8.59 . 1 64 . 13 THR H H 7.88 . 1 65 . 13 THR HA H 4.33 . 1 66 . 13 THR HB H 4.1 . 1 67 . 13 THR HG2 H 1.14 . 1 68 . 14 GLN H H 8.33 . 1 69 . 14 GLN HA H 4.2 . 1 70 . 14 GLN HB2 H 1.84 . 2 71 . 14 GLN HB3 H 1.91 . 2 72 . 14 GLN HG2 H 2.08 . 2 73 . 14 GLN HG3 H 2.15 . 2 74 . 14 GLN HE21 H 6.71 . 2 75 . 14 GLN HE22 H 7.28 . 2 76 . 15 PHE H H 8.11 . 1 77 . 15 PHE HA H 4.3 . 1 78 . 15 PHE HB2 H 2.87 . 2 79 . 15 PHE HB3 H 3.02 . 2 80 . 15 PHE HD1 H 7.14 . 1 81 . 15 PHE HD2 H 7.14 . 1 82 . 15 PHE HE1 H 7.24 . 1 83 . 15 PHE HE2 H 7.24 . 1 84 . 15 PHE HZ H 7.22 . 1 85 . 16 CYS H H 8.12 . 1 86 . 16 CYS HA H 4.44 . 1 87 . 16 CYS HB2 H 2.22 . 2 88 . 16 CYS HB3 H 2.51 . 2 89 . 17 PHE H H 8.27 . 1 90 . 17 PHE HA H 4.25 . 1 91 . 17 PHE HB2 H 2.74 . 1 92 . 17 PHE HB3 H 2.74 . 1 93 . 17 PHE HD1 H 7.13 . 1 94 . 17 PHE HD2 H 7.13 . 1 95 . 17 PHE HE1 H 7.23 . 1 96 . 17 PHE HE2 H 7.23 . 1 97 . 17 PHE HZ H 7.23 . 1 98 . 18 HIS H H 7.06 . 1 99 . 18 HIS HA H 4.58 . 1 100 . 18 HIS HB2 H 2.37 . 2 101 . 18 HIS HB3 H 2.75 . 2 102 . 18 HIS HD2 H 6.92 . 1 103 . 18 HIS HE1 H 8.5 . 1 104 . 19 GLY H H 7.51 . 1 105 . 19 GLY HA2 H 3.9 . 2 106 . 19 GLY HA3 H 4.05 . 2 107 . 20 THR H H 8.4 . 1 108 . 20 THR HA H 4.54 . 1 109 . 20 THR HB H 3.96 . 1 110 . 20 THR HG2 H 1.26 . 1 111 . 21 CYS H H 8.91 . 1 112 . 21 CYS HA H 5.13 . 1 113 . 21 CYS HB2 H 3.13 . 2 114 . 21 CYS HB3 H 3.23 . 2 115 . 22 ARG H H 9.31 . 1 116 . 22 ARG HA H 4.71 . 1 117 . 22 ARG HB2 H 1.65 . 2 118 . 22 ARG HB3 H 1.7 . 2 119 . 22 ARG HG2 H 1.5 . 2 120 . 22 ARG HG3 H 1.51 . 2 121 . 22 ARG HD2 H 3.04 . 1 122 . 22 ARG HD3 H 3.04 . 1 123 . 22 ARG HE H 7.03 . 1 124 . 23 PHE H H 8.88 . 1 125 . 23 PHE HA H 4.6 . 1 126 . 23 PHE HB2 H 2.82 . 2 127 . 23 PHE HB3 H 2.97 . 2 128 . 23 PHE HD1 H 6.92 . 1 129 . 23 PHE HD2 H 6.92 . 1 130 . 23 PHE HE1 H 7.17 . 1 131 . 23 PHE HE2 H 7.17 . 1 132 . 23 PHE HZ H 7.16 . 1 133 . 24 LEU H H 8.19 . 1 134 . 24 LEU HA H 4.49 . 1 135 . 24 LEU HB2 H 1.47 . 2 136 . 24 LEU HB3 H 1.77 . 2 137 . 24 LEU HG H 1.58 . 1 138 . 24 LEU HD1 H .75 . 2 139 . 24 LEU HD2 H .79 . 2 140 . 25 VAL H H 8.07 . 1 141 . 25 VAL HA H 3.66 . 1 142 . 25 VAL HB H 2.08 . 1 143 . 25 VAL HG1 H 1.02 . 2 144 . 25 VAL HG2 H 1.1 . 2 145 . 26 GLN H H 8.72 . 1 146 . 26 GLN HA H 4.13 . 1 147 . 26 GLN HB2 H 2.08 . 1 148 . 26 GLN HB3 H 2.08 . 1 149 . 26 GLN HG2 H 2.42 . 1 150 . 26 GLN HG3 H 2.42 . 1 151 . 26 GLN HE21 H 6.82 . 2 152 . 26 GLN HE22 H 7.55 . 2 153 . 27 GLU H H 7.47 . 1 154 . 27 GLU HA H 4.3 . 1 155 . 27 GLU HB2 H 1.74 . 2 156 . 27 GLU HB3 H 2.14 . 2 157 . 27 GLU HG2 H 2.27 . 2 158 . 27 GLU HG3 H 2.36 . 2 159 . 28 ASP H H 8.01 . 1 160 . 28 ASP HA H 4.28 . 1 161 . 28 ASP HB2 H 2.63 . 2 162 . 28 ASP HB3 H 3.21 . 2 163 . 29 LYS H H 7.04 . 1 164 . 29 LYS HA H 4.77 . 1 165 . 29 LYS HB2 H 1.61 . 2 166 . 29 LYS HB3 H 1.78 . 2 167 . 29 LYS HG2 H 1.29 . 2 168 . 29 LYS HG3 H 1.3 . 2 169 . 29 LYS HD2 H 1.63 . 2 170 . 29 LYS HD3 H 1.67 . 2 171 . 29 LYS HE2 H 2.98 . 1 172 . 29 LYS HE3 H 2.98 . 1 173 . 30 PRO HA H 4.79 . 1 174 . 30 PRO HB2 H 1.7 . 2 175 . 30 PRO HB3 H 1.93 . 2 176 . 30 PRO HG2 H 1.64 . 2 177 . 30 PRO HG3 H 1.7 . 2 178 . 30 PRO HD2 H 3.63 . 2 179 . 30 PRO HD3 H 3.64 . 2 180 . 31 ALA H H 8.77 . 1 181 . 31 ALA HA H 4.7 . 1 182 . 31 ALA HB H 1.37 . 1 183 . 32 CYS H H 8.68 . 1 184 . 32 CYS HA H 5.18 . 1 185 . 32 CYS HB2 H 2.71 . 2 186 . 32 CYS HB3 H 2.82 . 2 187 . 33 VAL H H 8.98 . 1 188 . 33 VAL HA H 4.25 . 1 189 . 33 VAL HB H 2.03 . 1 190 . 33 VAL HG1 H .91 . 2 191 . 33 VAL HG2 H .95 . 2 192 . 34 CYS H H 9.07 . 1 193 . 34 CYS HA H 5.05 . 1 194 . 34 CYS HB2 H 2.77 . 2 195 . 34 CYS HB3 H 3.44 . 2 196 . 35 HIS H H 8.71 . 1 197 . 35 HIS HA H 4.79 . 1 198 . 35 HIS HB2 H 3.07 . 2 199 . 35 HIS HB3 H 3.38 . 2 200 . 35 HIS HD2 H 7.33 . 1 201 . 35 HIS HE1 H 8.66 . 1 202 . 36 SER H H 8.55 . 1 203 . 36 SER HA H 4.3 . 1 204 . 36 SER HB2 H 3.91 . 1 205 . 36 SER HB3 H 3.91 . 1 206 . 37 GLY H H 8.8 . 1 207 . 37 GLY HA2 H 3.59 . 2 208 . 37 GLY HA3 H 4.17 . 2 209 . 38 TYR H H 7.94 . 1 210 . 38 TYR HA H 5.2 . 1 211 . 38 TYR HB2 H 2.76 . 2 212 . 38 TYR HB3 H 2.92 . 2 213 . 38 TYR HD1 H 6.7 . 1 214 . 38 TYR HD2 H 6.7 . 1 215 . 38 TYR HE1 H 6.42 . 1 216 . 38 TYR HE2 H 6.42 . 1 217 . 39 VAL H H 9.05 . 1 218 . 39 VAL HA H 4.82 . 1 219 . 39 VAL HB H 2.26 . 1 220 . 39 VAL HG1 H .83 . 2 221 . 39 VAL HG2 H .88 . 2 222 . 40 GLY H H 8.09 . 1 223 . 40 GLY HA2 H 3.89 . 2 224 . 40 GLY HA3 H 5 . 2 225 . 41 ALA H H 9.1 . 1 226 . 41 ALA HA H 4.19 . 1 227 . 41 ALA HB H 1.55 . 1 228 . 42 ARG H H 8.71 . 1 229 . 42 ARG HA H 4.79 . 1 230 . 42 ARG HB2 H 1.48 . 2 231 . 42 ARG HB3 H 2.27 . 2 232 . 42 ARG HG2 H 1.14 . 2 233 . 42 ARG HG3 H 1.48 . 2 234 . 42 ARG HD2 H 3 . 1 235 . 42 ARG HD3 H 3 . 1 236 . 42 ARG HE H 7.04 . 1 237 . 43 CYS H H 8.13 . 1 238 . 43 CYS HA H 4.05 . 1 239 . 43 CYS HB2 H 2.65 . 2 240 . 43 CYS HB3 H 2.94 . 2 241 . 44 GLU H H 9.43 . 1 242 . 44 GLU HA H 4.36 . 1 243 . 44 GLU HB2 H 1.78 . 2 244 . 44 GLU HB3 H 1.82 . 2 245 . 44 GLU HG2 H 2.08 . 1 246 . 44 GLU HG3 H 2.08 . 1 247 . 45 HIS H H 8.63 . 1 248 . 45 HIS HA H 5.11 . 1 249 . 45 HIS HB2 H 3.12 . 2 250 . 45 HIS HB3 H 3.24 . 2 251 . 45 HIS HD2 H 7.2 . 1 252 . 45 HIS HE1 H 8.58 . 1 253 . 46 ALA H H 8.66 . 1 254 . 46 ALA HA H 4.2 . 1 255 . 46 ALA HB H 1.16 . 1 256 . 47 ASP H H 8.16 . 1 257 . 47 ASP HA H 4.52 . 1 258 . 47 ASP HB2 H 2.42 . 2 259 . 47 ASP HB3 H 2.59 . 2 260 . 48 LEU H H 8.02 . 1 261 . 48 LEU HA H 4.28 . 1 262 . 48 LEU HB2 H 1.58 . 1 263 . 48 LEU HB3 H 1.58 . 1 264 . 48 LEU HG H 1.55 . 1 265 . 48 LEU HD1 H .83 . 2 266 . 48 LEU HD2 H .89 . 2 267 . 49 LEU H H 8.05 . 1 268 . 49 LEU HA H 4.34 . 1 269 . 49 LEU HB2 H 1.61 . 2 270 . 49 LEU HB3 H 1.63 . 2 271 . 49 LEU HG H 1.58 . 1 272 . 49 LEU HD1 H .84 . 2 273 . 49 LEU HD2 H .9 . 2 274 . 50 ALA H H 7.74 . 1 275 . 50 ALA HA H 4.17 . 1 276 . 50 ALA HB H 1.32 . 1 stop_ save_