data_4201 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Role of the 6-20 Disulfide Bridge in the Structure and Activity of Epidermal Growth Factor ; _BMRB_accession_number 4201 _BMRB_flat_file_name bmr4201.str _Entry_type original _Submission_date 1998-09-14 _Accession_date 1998-09-14 _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 Barnham K. J. . 2 Torres A. M. . 3 Alewood D. . . 4 Alewood P. F. . 5 Domagala T. . . 6 Nice E. C. . 7 Norton R. S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 244 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-10 update BMRB 'Updating non-standard residue' 2002-07-12 update BMRB 'Modify the saveframe name.' 2000-03-08 original author 'Original release.' 2008-03-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Barnham, K.J., Torres, A.M., Alewood, D., Alewood, P.F., Domagala, T., Nice, E.C., and Norton, R.S., "Role of the 6-20 Disulfide Bridge in the Structure and Activity of Epidermal Growth Factor," Protein Sci. 7, 1738-1749 (1998). ; _Citation_title ; Role of the 6-20 Disulfide Bridge in the Structure and Activity of Epidermal Growth Factor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99180407 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barnham K. J. . 2 Torres A. M. . 3 Alewood D. . . 4 Alewood P. F. . 5 Domagala T. . . 6 Nice E. C. . 7 Norton R. S. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1738 _Page_last 1749 _Year 1998 _Details . loop_ _Keyword 'disulfide connectivities' 'murine epidermal growth factor' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_one _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_ABA6_20_mEGF4-48 _Saveframe_category molecular_system _Mol_system_name '[ABA6,20] mEGF4-48' _Abbreviation_common '[ABA6,20] mEGF4-48' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '[ABA6,20] mEGF4-48' $ABA6_20_mEGF4-48 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ABA6_20_mEGF4-48 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common [ABA6,20]_mEGF4-48 _Abbreviation_common [ABA6,20]_mEGF4-48 _Molecular_mass . _Mol_thiol_state 'not reported' _Details ; Residues 1-3 and 49-53 deleted. CYS 6 and 20 replaced by amino-butyric acid (ABA) ; ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; PGXPSSYDGYCLNGGVXMHI ESLDSYTCNCVIGYSGDRCQ TRDLR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 4 PRO 2 5 GLY 3 6 ABA 4 7 PRO 5 8 SER 6 9 SER 7 10 TYR 8 11 ASP 9 12 GLY 10 13 TYR 11 14 CYS 12 15 LEU 13 16 ASN 14 17 GLY 15 18 GLY 16 19 VAL 17 20 ABA 18 21 MET 19 22 HIS 20 23 ILE 21 24 GLU 22 25 SER 23 26 LEU 24 27 ASP 25 28 SER 26 29 TYR 27 30 THR 28 31 CYS 29 32 ASN 30 33 CYS 31 34 VAL 32 35 ILE 33 36 GLY 34 37 TYR 35 38 SER 36 39 GLY 37 40 ASP 38 41 ARG 39 42 CYS 40 43 GLN 41 44 THR 42 45 ARG 43 46 ASP 44 47 LEU 45 48 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1A3P "Role Of The 6-20 Disulfide Bridge In The Structure And Activity Of Epidermal Growth Factor, Nmr, 20 Structures" 100.00 45 100.00 100.00 7.62e-22 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ABA _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common 'ALPHA-AMINOBUTYRIC ACID' _BMRB_code . _PDB_code ABA _Standard_residue_derivative . _Molecular_mass 103.120 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 12 10:58:53 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HB3 HB3 H . 0 . ? HB2 HB2 H . 0 . ? HG1 HG1 H . 0 . ? HG3 HG3 H . 0 . ? HG2 HG2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB3 ? ? SING CB HB2 ? ? SING CG HG1 ? ? SING CG HG3 ? ? SING CG HG2 ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ABA6_20_mEGF4-48 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 $ABA6_20_mEGF4-48 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ABA6_20_mEGF4-48 . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ save_NMR_applied_experiment_one _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details ; TOCSY DQF-COSY TOCSY E-COSY ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.8 0.2 na temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_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 H2O H 1 protons ppm 4.75 internal direct . . . $reference_one 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_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name '[ABA6,20] mEGF4-48' _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 PRO HA H 4.43 . 1 2 . 1 PRO HB2 H 2.46 . 1 3 . 1 PRO HB3 H 2.46 . 1 4 . 1 PRO HG2 H 2.07 . 1 5 . 1 PRO HG3 H 2.07 . 1 6 . 1 PRO HD2 H 3.44 . 2 7 . 1 PRO HD3 H 3.39 . 2 8 . 2 GLY H H 8.68 . 1 9 . 2 GLY HA2 H 4.02 . 2 10 . 2 GLY HA3 H 3.95 . 2 11 . 3 ABA H H 8.29 . 1 12 . 3 ABA HA H 4.49 . 1 13 . 3 ABA HB2 H 1.77 . 2 14 . 3 ABA HB3 H 1.65 . 2 15 . 3 ABA HG H 0.92 . 1 16 . 4 PRO HA H 4.42 . 1 17 . 4 PRO HB2 H 2.28 . 2 18 . 4 PRO HB3 H 1.87 . 2 19 . 4 PRO HG2 H 1.95 . 1 20 . 4 PRO HG3 H 1.95 . 1 21 . 4 PRO HD2 H 3.81 . 2 22 . 4 PRO HD3 H 3.52 . 2 23 . 5 SER H H 8.42 . 1 24 . 5 SER HA H 4.31 . 1 25 . 5 SER HB2 H 3.87 . 2 26 . 5 SER HB3 H 3.79 . 2 27 . 6 SER H H 8.15 . 1 28 . 6 SER HA H 4.30 . 1 29 . 6 SER HB2 H 3.77 . 2 30 . 6 SER HB3 H 3.71 . 2 31 . 7 TYR H H 8.07 . 1 32 . 7 TYR HA H 4.33 . 1 33 . 7 TYR HB2 H 2.91 . 2 34 . 7 TYR HB3 H 2.73 . 2 35 . 7 TYR HD1 H 6.74 . 1 36 . 7 TYR HD2 H 6.74 . 1 37 . 7 TYR HE1 H 6.50 . 1 38 . 7 TYR HE2 H 6.50 . 1 39 . 8 ASP H H 8.13 . 1 40 . 8 ASP HA H 4.55 . 1 41 . 8 ASP HB2 H 2.85 . 2 42 . 8 ASP HB3 H 2.77 . 2 43 . 9 GLY H H 8.19 . 1 44 . 9 GLY HA2 H 3.84 . 1 45 . 9 GLY HA3 H 3.84 . 1 46 . 10 TYR H H 7.71 . 1 47 . 10 TYR HA H 4.13 . 1 48 . 10 TYR HB2 H 3.00 . 2 49 . 10 TYR HB3 H 2.77 . 2 50 . 10 TYR HD1 H 6.97 . 1 51 . 10 TYR HD2 H 6.97 . 1 52 . 10 TYR HE1 H 6.72 . 1 53 . 10 TYR HE2 H 6.72 . 1 54 . 11 CYS H H 8.42 . 1 55 . 11 CYS HA H 4.47 . 1 56 . 11 CYS HB2 H 2.62 . 2 57 . 11 CYS HB3 H 2.38 . 2 58 . 12 LEU H H 8.33 . 1 59 . 12 LEU HA H 4.29 . 1 60 . 12 LEU HB2 H 1.62 . 2 61 . 12 LEU HB3 H 1.32 . 2 62 . 12 LEU HD1 H 0.77 . 1 63 . 12 LEU HD2 H 0.77 . 1 64 . 13 ASN H H 8.97 . 1 65 . 13 ASN HA H 4.04 . 1 66 . 13 ASN HB2 H 2.00 . 2 67 . 13 ASN HB3 H 1.39 . 2 68 . 13 ASN HD21 H 8.06 . 2 69 . 13 ASN HD22 H 7.25 . 2 70 . 14 GLY H H 8.73 . 1 71 . 14 GLY HA2 H 4.01 . 2 72 . 14 GLY HA3 H 3.62 . 2 73 . 15 GLY H H 7.44 . 1 74 . 15 GLY HA2 H 4.31 . 2 75 . 15 GLY HA3 H 3.46 . 2 76 . 16 VAL H H 8.14 . 1 77 . 16 VAL HA H 4.31 . 1 78 . 16 VAL HB H 2.00 . 1 79 . 16 VAL HG1 H 1.00 . 2 80 . 16 VAL HG2 H 0.97 . 2 81 . 17 ABA H H 8.63 . 1 82 . 17 ABA HA H 4.70 . 1 83 . 17 ABA HB2 H 1.85 . 2 84 . 17 ABA HB3 H 1.73 . 2 85 . 17 ABA HG H 0.74 . 1 86 . 18 MET H H 9.22 . 1 87 . 18 MET HA H 4.79 . 1 88 . 18 MET HB2 H 1.95 . 1 89 . 18 MET HB3 H 1.95 . 1 90 . 18 MET HG2 H 2.46 . 1 91 . 18 MET HG3 H 2.46 . 1 92 . 19 HIS H H 8.87 . 1 93 . 19 HIS HA H 4.79 . 1 94 . 19 HIS HB2 H 3.15 . 2 95 . 19 HIS HB3 H 2.91 . 2 96 . 19 HIS HD1 H 8.49 . 1 97 . 19 HIS HE1 H 6.60 . 1 98 . 20 ILE H H 8.44 . 1 99 . 20 ILE HA H 4.13 . 1 100 . 20 ILE HB H 1.80 . 1 101 . 20 ILE HG2 H 0.82 . 1 102 . 20 ILE HG12 H 1.32 . 2 103 . 20 ILE HG13 H 1.01 . 2 104 . 20 ILE HD1 H 0.70 . 1 105 . 21 GLU H H 8.63 . 1 106 . 21 GLU HA H 3.87 . 1 107 . 21 GLU HB2 H 2.04 . 1 108 . 21 GLU HB3 H 2.04 . 1 109 . 21 GLU HG2 H 2.42 . 1 110 . 21 GLU HG3 H 2.42 . 1 111 . 22 SER H H 8.45 . 1 112 . 22 SER HA H 4.20 . 1 113 . 22 SER HB2 H 3.88 . 2 114 . 22 SER HB3 H 3.92 . 2 115 . 23 LEU H H 7.20 . 1 116 . 23 LEU HA H 4.36 . 1 117 . 23 LEU HB2 H 1.50 . 1 118 . 23 LEU HB3 H 1.50 . 1 119 . 23 LEU HG H 1.56 . 1 120 . 23 LEU HD1 H 0.85 . 2 121 . 23 LEU HD2 H 0.82 . 2 122 . 24 ASP H H 8.07 . 1 123 . 24 ASP HA H 4.45 . 1 124 . 24 ASP HB2 H 3.15 . 2 125 . 24 ASP HB3 H 2.74 . 2 126 . 25 SER H H 7.37 . 1 127 . 25 SER HA H 4.67 . 1 128 . 25 SER HB2 H 3.75 . 2 129 . 25 SER HB3 H 3.62 . 2 130 . 26 TYR H H 8.33 . 1 131 . 26 TYR HA H 5.18 . 1 132 . 26 TYR HB2 H 2.48 . 2 133 . 26 TYR HB3 H 2.37 . 2 134 . 26 TYR HD1 H 6.64 . 1 135 . 26 TYR HD2 H 6.64 . 1 136 . 26 TYR HE1 H 6.44 . 1 137 . 26 TYR HE2 H 6.44 . 1 138 . 27 THR H H 8.77 . 1 139 . 27 THR HA H 4.89 . 1 140 . 27 THR HB H 4.15 . 1 141 . 27 THR HG2 H 1.16 . 1 142 . 28 CYS H H 8.85 . 1 143 . 28 CYS HA H 5.29 . 1 144 . 28 CYS HB2 H 2.85 . 2 145 . 28 CYS HB3 H 2.66 . 2 146 . 29 ASN H H 9.42 . 1 147 . 29 ASN HA H 5.05 . 1 148 . 29 ASN HB2 H 2.98 . 2 149 . 29 ASN HB3 H 2.79 . 2 150 . 29 ASN HD21 H 6.83 . 2 151 . 29 ASN HD22 H 7.33 . 2 152 . 30 CYS H H 8.94 . 1 153 . 30 CYS HA H 4.77 . 1 154 . 30 CYS HB2 H 3.29 . 2 155 . 30 CYS HB3 H 2.67 . 2 156 . 31 VAL H H 8.42 . 1 157 . 31 VAL HA H 4.11 . 1 158 . 31 VAL HB H 2.11 . 1 159 . 31 VAL HG1 H 1.17 . 2 160 . 31 VAL HG2 H 1.01 . 2 161 . 32 ILE H H 8.05 . 1 162 . 32 ILE HA H 3.97 . 1 163 . 32 ILE HB H 1.84 . 1 164 . 32 ILE HG2 H 0.95 . 1 165 . 32 ILE HG12 H 1.64 . 2 166 . 32 ILE HG13 H 1.31 . 2 167 . 33 GLY H H 8.55 . 1 168 . 33 GLY HA2 H 4.26 . 2 169 . 33 GLY HA3 H 3.46 . 2 170 . 34 TYR H H 8.23 . 1 171 . 34 TYR HA H 5.36 . 1 172 . 34 TYR HB2 H 2.95 . 1 173 . 34 TYR HB3 H 2.95 . 1 174 . 34 TYR HD1 H 6.89 . 1 175 . 34 TYR HD2 H 6.89 . 1 176 . 34 TYR HE1 H 6.66 . 1 177 . 34 TYR HE2 H 6.66 . 1 178 . 35 SER H H 9.39 . 1 179 . 35 SER HA H 4.83 . 1 180 . 35 SER HB2 H 3.98 . 1 181 . 35 SER HB3 H 3.98 . 1 182 . 36 GLY H H 8.16 . 1 183 . 36 GLY HA2 H 4.80 . 2 184 . 36 GLY HA3 H 3.84 . 2 185 . 37 ASP H H 9.27 . 1 186 . 37 ASP HA H 4.38 . 1 187 . 37 ASP HB2 H 3.07 . 1 188 . 37 ASP HB3 H 3.07 . 1 189 . 38 ARG H H 8.94 . 1 190 . 38 ARG HA H 4.91 . 1 191 . 38 ARG HB2 H 2.28 . 2 192 . 38 ARG HB3 H 1.23 . 2 193 . 38 ARG HG2 H 1.39 . 2 194 . 38 ARG HG3 H 0.90 . 2 195 . 38 ARG HD2 H 2.96 . 2 196 . 38 ARG HD3 H 2.89 . 2 197 . 38 ARG HE H 7.16 . 1 198 . 38 ARG HH11 H 6.69 . 2 199 . 38 ARG HH21 H 6.26 . 2 200 . 38 ARG HH22 H 6.27 . 2 201 . 39 CYS H H 7.80 . 1 202 . 39 CYS HA H 4.11 . 1 203 . 39 CYS HB2 H 3.62 . 2 204 . 39 CYS HB3 H 3.18 . 2 205 . 40 GLN H H 10.06 . 1 206 . 40 GLN HA H 4.04 . 1 207 . 40 GLN HB2 H 2.21 . 2 208 . 40 GLN HB3 H 1.84 . 2 209 . 40 GLN HG2 H 2.68 . 2 210 . 40 GLN HG3 H 2.59 . 2 211 . 40 GLN HE21 H 7.67 . 2 212 . 40 GLN HE22 H 6.89 . 2 213 . 41 THR H H 8.88 . 1 214 . 41 THR HA H 4.41 . 1 215 . 41 THR HB H 3.84 . 1 216 . 41 THR HG2 H 1.06 . 1 217 . 42 ARG H H 8.77 . 1 218 . 42 ARG HA H 4.13 . 1 219 . 42 ARG HB2 H 1.80 . 2 220 . 42 ARG HB3 H 1.62 . 2 221 . 42 ARG HG2 H 1.43 . 2 222 . 42 ARG HG3 H 1.28 . 2 223 . 42 ARG HD2 H 3.03 . 1 224 . 42 ARG HD3 H 3.03 . 1 225 . 42 ARG HE H 7.06 . 1 226 . 43 ASP H H 8.45 . 1 227 . 43 ASP HA H 4.57 . 1 228 . 43 ASP HB2 H 2.74 . 2 229 . 43 ASP HB3 H 2.45 . 2 230 . 44 LEU H H 8.13 . 1 231 . 44 LEU HA H 4.30 . 1 232 . 44 LEU HB2 H 1.57 . 1 233 . 44 LEU HB3 H 1.57 . 1 234 . 44 LEU HD1 H 0.89 . 2 235 . 44 LEU HD2 H 0.82 . 2 236 . 45 ARG H H 8.18 . 1 237 . 45 ARG HA H 4.27 . 1 238 . 45 ARG HB2 H 1.88 . 2 239 . 45 ARG HB3 H 1.73 . 2 240 . 45 ARG HG2 H 1.57 . 1 241 . 45 ARG HG3 H 1.57 . 1 242 . 45 ARG HD2 H 3.17 . 1 243 . 45 ARG HD3 H 3.17 . 1 244 . 45 ARG HE H 7.17 . 1 stop_ save_