data_4211 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ragweed pollen allergen from Ambrosia trifida V ; _BMRB_accession_number 4211 _BMRB_flat_file_name bmr4211.str _Entry_type original _Submission_date 1998-04-25 _Accession_date 1998-04-25 _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 Warren G. L. . 2 Tuner C. J. . 3 Petsko G. A. . 4 Brunger A. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 223 "coupling constants" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-06-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A highly precise solution 1H NMR structure of ragweed allergen Amb. t. V' _Citation_status submitted _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 Warren G. L. . 2 Turner C. J. . 3 Petsko G. A. . 4 Brunger A. T. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'protein allergen' 'small highly disulfide bonded' stop_ save_ ################################## # Molecular system description # ################################## save_system_Amb5 _Saveframe_category molecular_system _Mol_system_name 'giant ragweed allergen 5' _Abbreviation_common AMB5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'giant ragweed allergen 5' $Amb5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Amb5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'giant ragweed allergen 5' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 40 _Mol_residue_sequence ; DDGLCYEGTNCGKVGKYCCS PIGKYCVCYDSKAICNKNCT ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ASP 3 GLY 4 LEU 5 CYS 6 TYR 7 GLU 8 GLY 9 THR 10 ASN 11 CYS 12 GLY 13 LYS 14 VAL 15 GLY 16 LYS 17 TYR 18 CYS 19 CYS 20 SER 21 PRO 22 ILE 23 GLY 24 LYS 25 TYR 26 CYS 27 VAL 28 CYS 29 TYR 30 ASP 31 SER 32 LYS 33 ALA 34 ILE 35 CYS 36 ASN 37 LYS 38 ASN 39 CYS 40 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1BBG "Ragweed Pollen Allergen From Ambrosia Trifida V, Nmr, Minimized Average Structure" 100.00 40 100.00 100.00 5.07e-18 PDB 2BBG "Ragweed Pollen Allergen From Ambrosia Trifida V, Nmr, 30 Structures" 100.00 40 100.00 100.00 5.07e-18 PDB 3BBG "Multi-Conformer Structure Of Ragweed Pollen Allergen From Ambrosia Trifida V, Nmr, 2 Structures" 100.00 40 100.00 100.00 5.07e-18 EMBL CAA39726 "Amb t V allergen [Ambrosia trifida]" 100.00 73 100.00 100.00 3.75e-19 GB AAB02877 "MHC class II antigen [Ambrosia trifida]" 100.00 73 100.00 100.00 3.75e-19 SP P10414 "RecName: Full=Pollen allergen Amb t 5; AltName: Full=Allergen Amb t V; AltName: Full=Allergen Ra5G; AltName: Allergen=Amb t 5; " 100.00 73 100.00 100.00 3.75e-19 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide 'giant ragweed allergen 5' 5 CYS SG 'giant ragweed allergen 5' 35 CYS SG single disulfide 'giant ragweed allergen 5' 11 CYS SG 'giant ragweed allergen 5' 26 CYS SG single disulfide 'giant ragweed allergen 5' 18 CYS SG 'giant ragweed allergen 5' 28 CYS SG single disulfide 'giant ragweed allergen 5' 19 CYS SG 'giant ragweed allergen 5' 39 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $Amb5 'giant ragweed' 4214 Eukaryota Viridiplantae Ambrosia trifida pollen 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 $Amb5 'purified from the natural source' . . . . . 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 $Amb5 7.8 mM . acetate 50 mM . NaN3 1 mM . EDTA 11 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Amb5 7.8 mM . acetate 50 mM . NaN3 1 mM . EDTA 11 mM . D2O 99.9 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer 'Francis Bitter Magnet Laboratory' _Model 'home built' _Field_strength 501.9 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer 'Francis Bitter Magnet Laboratory' _Model 'home built' _Field_strength 591.1 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 . n/a temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _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 DSS H 1 'methyl protons' ppm 0.0 . direct . internal . $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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chem_shift_ref _Mol_system_component_name 'giant ragweed allergen 5' _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 ASP HA H 4.24 . 1 2 . 1 ASP HB2 H 2.88 . 2 3 . 1 ASP HB3 H 2.80 . 2 4 . 2 ASP H H 8.03 . 1 5 . 2 ASP HA H 4.13 . 1 6 . 2 ASP HB2 H 1.47 . 1 7 . 2 ASP HB3 H 0.92 . 1 8 . 3 GLY H H 8.27 . 1 9 . 3 GLY HA2 H 3.98 . 1 10 . 3 GLY HA3 H 3.98 . 1 11 . 4 LEU H H 8.28 . 1 12 . 4 LEU HA H 4.44 . 1 13 . 4 LEU HB2 H 1.66 . 1 14 . 4 LEU HB3 H 1.68 . 1 15 . 4 LEU HG H 1.66 . 1 16 . 4 LEU HD1 H 0.89 . 2 17 . 4 LEU HD2 H 0.92 . 2 18 . 5 CYS H H 8.45 . 1 19 . 5 CYS HA H 5.32 . 1 20 . 5 CYS HB2 H 2.73 . 1 21 . 5 CYS HB3 H 3.51 . 1 22 . 6 TYR H H 8.93 . 1 23 . 6 TYR HA H 5.08 . 1 24 . 6 TYR HB2 H 3.10 . 1 25 . 6 TYR HB3 H 2.99 . 1 26 . 6 TYR HD1 H 7.09 . 1 27 . 6 TYR HD2 H 7.09 . 1 28 . 6 TYR HE1 H 6.79 . 1 29 . 6 TYR HE2 H 6.79 . 1 30 . 7 GLU H H 9.02 . 1 31 . 7 GLU HA H 3.55 . 1 32 . 7 GLU HB2 H 2.18 . 1 33 . 7 GLU HB3 H 1.77 . 1 34 . 7 GLU HG2 H 2.54 . 1 35 . 7 GLU HG3 H 2.06 . 1 36 . 8 GLY H H 8.39 . 1 37 . 8 GLY HA2 H 3.64 . 1 38 . 8 GLY HA3 H 3.76 . 1 39 . 9 THR H H 8.88 . 1 40 . 9 THR HA H 3.67 . 1 41 . 9 THR HB H 4.17 . 1 42 . 9 THR HG2 H 1.19 . 1 43 . 10 ASN H H 9.00 . 1 44 . 10 ASN HA H 4.59 . 1 45 . 10 ASN HB2 H 2.84 . 1 46 . 10 ASN HB3 H 2.77 . 1 47 . 10 ASN HD21 H 6.95 . 1 48 . 10 ASN HD22 H 7.35 . 1 49 . 11 CYS H H 7.89 . 1 50 . 11 CYS HA H 4.85 . 1 51 . 11 CYS HB2 H 2.84 . 1 52 . 11 CYS HB3 H 3.28 . 1 53 . 12 GLY H H 8.11 . 1 54 . 12 GLY HA2 H 3.78 . 1 55 . 12 GLY HA3 H 4.15 . 1 56 . 13 LYS H H 7.63 . 1 57 . 13 LYS HA H 4.58 . 1 58 . 13 LYS HB2 H 1.55 . 1 59 . 13 LYS HB3 H 1.37 . 1 60 . 13 LYS HG2 H 1.07 . 1 61 . 13 LYS HG3 H 1.07 . 1 62 . 13 LYS HD2 H 1.28 . 1 63 . 13 LYS HD3 H 1.28 . 1 64 . 13 LYS HE2 H 2.86 . 1 65 . 13 LYS HE3 H 2.86 . 1 66 . 14 VAL H H 8.03 . 1 67 . 14 VAL HA H 3.55 . 1 68 . 14 VAL HB H 1.89 . 1 69 . 14 VAL HG1 H 1.07 . 2 70 . 14 VAL HG2 H 0.90 . 2 71 . 15 GLY H H 9.27 . 1 72 . 15 GLY HA2 H 3.69 . 1 73 . 15 GLY HA3 H 4.22 . 1 74 . 16 LYS H H 7.48 . 1 75 . 16 LYS HA H 4.69 . 1 76 . 16 LYS HB2 H 1.70 . 1 77 . 16 LYS HB3 H 2.00 . 1 78 . 16 LYS HG2 H 1.15 . 1 79 . 16 LYS HG3 H 1.26 . 1 80 . 16 LYS HD2 H 1.36 . 1 81 . 16 LYS HD3 H 1.36 . 1 82 . 16 LYS HE2 H 2.78 . 1 83 . 16 LYS HE3 H 2.78 . 1 84 . 17 TYR H H 8.40 . 1 85 . 17 TYR HA H 4.77 . 1 86 . 17 TYR HB2 H 2.38 . 1 87 . 17 TYR HB3 H 2.55 . 1 88 . 17 TYR HD1 H 6.70 . 1 89 . 17 TYR HD2 H 6.70 . 1 90 . 17 TYR HE1 H 6.85 . 1 91 . 17 TYR HE2 H 6.85 . 1 92 . 18 CYS H H 9.44 . 1 93 . 18 CYS HA H 5.74 . 1 94 . 18 CYS HB2 H 2.76 . 1 95 . 18 CYS HB3 H 2.32 . 1 96 . 19 CYS H H 9.31 . 1 97 . 19 CYS HA H 5.04 . 1 98 . 19 CYS HB2 H 3.35 . 1 99 . 19 CYS HB3 H 3.09 . 1 100 . 20 SER H H 9.27 . 1 101 . 20 SER HA H 5.10 . 1 102 . 20 SER HB2 H 4.12 . 1 103 . 20 SER HB3 H 4.24 . 1 104 . 21 PRO HA H 4.61 . 1 105 . 21 PRO HB2 H 2.36 . 1 106 . 21 PRO HB3 H 1.99 . 1 107 . 21 PRO HG2 H 2.10 . 1 108 . 21 PRO HG3 H 1.85 . 1 109 . 21 PRO HD2 H 3.55 . 2 110 . 21 PRO HD3 H 3.49 . 2 111 . 22 ILE H H 8.16 . 1 112 . 22 ILE HA H 3.90 . 1 113 . 22 ILE HB H 1.81 . 1 114 . 22 ILE HG12 H 1.60 . 1 115 . 22 ILE HG13 H 1.60 . 1 116 . 22 ILE HG2 H 0.93 . 1 117 . 22 ILE HD1 H 1.26 . 1 118 . 23 GLY H H 8.69 . 1 119 . 23 GLY HA2 H 4.18 . 1 120 . 23 GLY HA3 H 3.72 . 1 121 . 24 LYS H H 8.48 . 1 122 . 24 LYS HA H 4.64 . 1 123 . 24 LYS HB2 H 1.44 . 1 124 . 24 LYS HB3 H 1.34 . 1 125 . 24 LYS HG2 H 1.77 . 1 126 . 24 LYS HG3 H 1.77 . 1 127 . 24 LYS HD2 H 1.66 . 1 128 . 24 LYS HD3 H 1.66 . 1 129 . 24 LYS HE2 H 2.97 . 1 130 . 24 LYS HE3 H 2.97 . 1 131 . 24 LYS HZ H 7.59 . 2 132 . 25 TYR H H 7.90 . 1 133 . 25 TYR HA H 4.86 . 1 134 . 25 TYR HB2 H 2.93 . 1 135 . 25 TYR HB3 H 2.93 . 1 136 . 25 TYR HD1 H 7.10 . 1 137 . 25 TYR HD2 H 7.10 . 1 138 . 25 TYR HE1 H 6.79 . 1 139 . 25 TYR HE2 H 6.79 . 1 140 . 26 CYS H H 8.24 . 1 141 . 26 CYS HA H 3.89 . 1 142 . 26 CYS HB2 H 3.17 . 1 143 . 26 CYS HB3 H 2.71 . 1 144 . 27 VAL H H 8.77 . 1 145 . 27 VAL HA H 3.99 . 1 146 . 27 VAL HB H 2.21 . 1 147 . 27 VAL HG1 H 0.84 . 2 148 . 27 VAL HG2 H 0.82 . 2 149 . 28 CYS H H 8.29 . 1 150 . 28 CYS HA H 5.15 . 1 151 . 28 CYS HB2 H 2.83 . 1 152 . 28 CYS HB3 H 2.52 . 1 153 . 29 TYR H H 9.20 . 1 154 . 29 TYR HA H 4.77 . 1 155 . 29 TYR HB2 H 3.21 . 1 156 . 29 TYR HB3 H 2.57 . 1 157 . 29 TYR HD1 H 7.13 . 1 158 . 29 TYR HD2 H 7.13 . 1 159 . 29 TYR HE1 H 6.69 . 1 160 . 29 TYR HE2 H 6.69 . 1 161 . 30 ASP H H 9.06 . 1 162 . 30 ASP HA H 4.61 . 1 163 . 30 ASP HB2 H 2.81 . 1 164 . 30 ASP HB3 H 2.61 . 1 165 . 31 SER H H 7.45 . 1 166 . 31 SER HA H 4.94 . 1 167 . 31 SER HB2 H 3.92 . 1 168 . 31 SER HB3 H 4.20 . 1 169 . 32 LYS H H 8.89 . 1 170 . 32 LYS HA H 3.19 . 1 171 . 32 LYS HB2 H 0.28 . 1 172 . 32 LYS HB3 H 1.27 . 1 173 . 32 LYS HG2 H 1.08 . 1 174 . 32 LYS HG3 H 0.66 . 1 175 . 32 LYS HD2 H 1.37 . 1 176 . 32 LYS HD3 H 1.37 . 1 177 . 32 LYS HE2 H 2.80 . 1 178 . 32 LYS HE3 H 2.80 . 1 179 . 33 ALA H H 8.34 . 1 180 . 33 ALA HA H 4.03 . 1 181 . 33 ALA HB H 1.32 . 1 182 . 34 ILE H H 7.58 . 1 183 . 34 ILE HA H 3.50 . 1 184 . 34 ILE HB H 1.62 . 1 185 . 34 ILE HG12 H 1.54 . 2 186 . 34 ILE HG13 H 1.06 . 2 187 . 34 ILE HG2 H 1.06 . 1 188 . 34 ILE HD1 H 0.92 . 1 189 . 35 CYS H H 7.84 . 1 190 . 35 CYS HA H 3.15 . 4 191 . 35 CYS HB2 H 3.15 . 4 192 . 35 CYS HB3 H 3.00 . 2 193 . 36 ASN H H 8.75 . 1 194 . 36 ASN HA H 4.30 . 1 195 . 36 ASN HB2 H 2.68 . 1 196 . 36 ASN HB3 H 2.68 . 1 197 . 36 ASN HD21 H 7.31 . 2 198 . 36 ASN HD22 H 7.03 . 2 199 . 37 LYS H H 7.31 . 1 200 . 37 LYS HA H 4.07 . 1 201 . 37 LYS HB2 H 1.77 . 1 202 . 37 LYS HB3 H 1.77 . 1 203 . 37 LYS HG2 H 1.59 . 1 204 . 37 LYS HG3 H 1.59 . 1 205 . 37 LYS HD2 H 1.43 . 1 206 . 37 LYS HD3 H 1.43 . 1 207 . 37 LYS HE2 H 2.91 . 1 208 . 37 LYS HE3 H 2.91 . 1 209 . 37 LYS HZ H 7.53 . 2 210 . 38 ASN H H 7.33 . 1 211 . 38 ASN HA H 4.70 . 1 212 . 38 ASN HB2 H 1.96 . 1 213 . 38 ASN HB3 H 2.83 . 1 214 . 38 ASN HD21 H 7.22 . 1 215 . 38 ASN HD22 H 6.78 . 1 216 . 39 CYS H H 7.99 . 1 217 . 39 CYS HA H 4.98 . 1 218 . 39 CYS HB2 H 2.94 . 1 219 . 39 CYS HB3 H 3.18 . 1 220 . 40 THR H H 7.60 . 1 221 . 40 THR HA H 4.25 . 1 222 . 40 THR HB H 4.26 . 1 223 . 40 THR HG2 H 1.13 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_three_bond_constraints_label _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H . _Mol_system_component_name 'giant ragweed allergen 5' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 2 ASP H 2 ASP HA 7.328 . . 0.500 2 3JHNHA 4 LEU H 4 LEU HA 10.017 . . 1.000 3 3JHNHA 5 CYS H 5 CYS HA 8.060 . . 0.500 4 3JHNHA 6 TYR H 6 TYR HA 10.258 . . 1.000 5 3JHNHA 7 GLU H 7 GLU HA 9.060 . . 0.000 6 3JHNHA 9 THR H 9 THR HA 7.601 . . 0.000 7 3JHNHA 10 ASN H 10 ASN HA 6.138 . . 0.000 8 3JHNHA 13 LYS H 13 LYS HA 8.793 . . 0.000 9 3JHNHA 14 VAL H 14 VAL HA 4.855 . . 0.000 10 3JHNHA 16 LYS H 16 LYS HA 9.525 . . 0.000 11 3JHNHA 17 TYR H 17 TYR HA 8.442 . . 0.000 12 3JHNHA 18 CYS H 18 CYS HA 9.329 . . 0.816 13 3JHNHA 19 CYS H 19 CYS HA 9.532 . . 0.000 14 3JHNHA 20 SER H 20 SER HA 7.000 . . 0.500 15 3JHNHA 22 ILE H 22 ILE HA 6.279 . . 0.000 16 3JHNHA 24 LYS H 24 LYS HA 7.602 . . 0.000 17 3JHNHA 25 TYR H 25 TYR HA 7.383 . . 0.000 18 3JHNHA 26 CYS H 26 CYS HA 5.780 . . 0.000 19 3JHNHA 27 VAL H 27 VAL HA 9.454 . . 0.000 20 3JHNHA 28 CYS H 28 CYS HA 10.257 . . 1.000 21 3JHNHA 29 TYR H 29 TYR HA 7.700 . . 0.000 22 3JHNHA 30 ASP H 30 ASP HA 6.590 . . 0.000 23 3JHNHA 31 SER H 31 SER HA 5.689 . . 0.000 24 3JHNHA 32 LYS H 32 LYS HA 2.848 . . 0.000 25 3JHNHA 33 ALA H 33 ALA HA 2.944 . . 0.000 26 3JHNHA 34 ILE H 34 ILE HA 3.089 . . 0.000 27 3JHNHA 35 CYS H 35 CYS HA 4.932 . . 0.000 28 3JHNHA 36 ASN H 36 ASN HA 3.348 . . 0.000 29 3JHNHA 37 LYS H 37 LYS HA 3.569 . . 0.000 30 3JHNHA 38 ASN H 38 ASN HA 4.287 . . 0.000 31 3JHNHA 39 CYS H 39 CYS HA 3.281 . . 0.000 32 3JHNHA 40 THR H 40 THR HA 5.900 . . 0.000 stop_ save_